NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3681 8.1849 120.6290 54.4210 43.6004 175.8889 5 T 4.6112 7.6192 114.5765 61.2428 72.7828 171.3212 6 K 4.9473 8.7522 123.1255 54.5546 36.1222 175.3934 7 V 4.3035 7.6779 122.6207 60.4636 34.6493 174.8895 8 K 4.2279 8.8200 127.2004 57.1119 31.8256 176.1155 9 L 4.7358 8.9308 126.8028 55.2818 44.6784 175.8538 10 C 4.8340 7.3892 112.3233 58.0548 31.2393 172.1744 11 Q 4.6578 7.4549 118.8653 54.6408 29.5792 177.0967 12 L 3.6968 8.1745 124.6364 58.3251 42.1269 178.5596 13 D 4.5762 7.9517 113.0918 54.2525 38.9562 176.1264 14 D 4.6923 7.8824 118.8715 54.7260 41.9598 176.5403 15 L 4.7245 7.3661 120.6736 52.5607 43.5963 173.3299 *17 P 4.0942 0.0000 0.0000 64.7279 32.1452 177.7517 18 F 4.0365 8.6759 119.3731 57.8249 38.0291 174.8411 19 I 4.4982 7.4970 122.0041 59.0266 37.8554 175.7248 20 G 3.5785 9.0570 112.6177 45.1222 0.0000 171.9134 21 A 4.8221 7.8025 122.4701 50.0252 22.7689 174.9294 22 T 4.7900 8.4031 112.1953 60.6771 70.6079 174.3479 23 V 4.5026 8.7997 117.3355 59.7401 36.9682 173.8613 24 L 4.8145 8.2500 120.9183 53.1299 44.0264 176.8116 25 I 3.8596 8.1707 125.1539 59.7919 37.6076 175.5369 26 E 3.7976 9.7411 128.3221 57.2030 26.9569 176.4328 27 G 3.9344 8.4353 105.5687 45.1227 0.0000 173.3864 28 E 4.5188 7.7493 120.0258 54.4494 31.4113 175.0391 29 R 4.2549 8.4122 123.9460 56.1415 31.2891 175.1053 30 V 4.6524 8.6120 126.1215 60.8596 35.3093 173.7396 31 A 5.0583 9.2139 128.2759 50.1479 21.6778 175.4014 32 L 5.1194 8.8701 122.2826 53.0172 45.0482 175.8345 33 F 5.0306 8.9240 120.3080 56.1224 43.1771 173.0640 34 Y 4.9014 8.7995 125.7327 56.5033 40.2775 174.3456 35 I 3.2876 8.3902 129.7324 59.6801 38.3660 175.9470 36 P 3.3619 0.0000 0.0000 64.8410 32.3808 178.2272 37 D 4.3058 7.9472 120.8411 55.8302 39.6410 177.4651 38 S 4.5436 7.6209 109.0551 57.5021 63.8496 174.1800 39 G 3.7012 8.2131 108.6957 44.1249 0.0000 171.6724 40 V 4.7113 7.8256 118.0213 60.2813 33.1376 174.9008 41 Y 5.0664 8.8145 123.3726 56.3377 40.6564 174.6220 42 A 5.1984 8.8895 123.8313 50.5908 21.7172 175.5688 43 V 5.4253 8.6477 115.0255 59.4438 36.0101 175.6895 44 Q 4.7742 8.8325 120.4017 57.0641 28.9938 175.9956 45 D 4.7268 8.9871 118.9272 54.7206 42.7363 175.2851 46 W 4.8173 8.2961 128.5689 56.6102 31.6543 175.1956 47 D 4.3094 8.6422 129.2074 53.3995 40.8918 174.9796 48 P 4.5559 0.0000 0.0000 64.2639 31.5374 176.8645 49 I 4.4201 7.9559 118.6834 61.0500 38.0652 176.1157 50 G 4.5301 7.2392 106.8349 42.8284 0.0000 172.0766 51 K 2.4800 8.0340 118.8671 54.3950 28.9537 174.2955 52 A 3.6106 5.8000 122.2694 51.8045 21.7571 175.8751 53 Y 5.0755 8.4637 118.0381 57.2391 37.4051 176.3830 54 V 4.3711 8.1984 119.5822 59.4787 32.4473 176.6140 *56 S 4.2731 7.9355 114.2970 57.5991 64.9268 175.9402 57 R 4.6710 8.3691 119.1781 55.9540 30.7908 175.9324 58 G 4.1794 7.9276 105.9086 44.8015 0.0000 174.0469 59 I 4.0703 8.4622 125.1168 61.4945 38.2463 175.2159 60 V 4.7662 8.0366 120.7038 59.5819 32.9315 175.8287 61 G 4.0942 8.3812 112.7584 44.3570 0.0000 170.3655 62 D 5.0630 8.5190 117.4083 52.3724 43.4958 176.2593 63 I 4.3478 7.8903 125.6401 60.4258 39.8754 174.9874 64 N 4.0883 9.7250 125.0300 54.2684 35.9449 175.8021 65 G 4.2099 8.2953 108.0616 45.5707 0.0000 174.8154 66 E 4.2352 7.4701 127.3965 56.2501 29.2454 174.2974 *68 C 5.3758 8.5921 114.4294 60.0008 30.8918 173.1189 69 V 4.6857 7.9143 117.9221 60.5415 34.1104 173.6939 70 A 4.8982 8.9020 128.2688 50.4540 19.8517 176.3759 71 S 4.2399 8.8259 118.4337 58.1686 63.4680 172.9032 72 P 4.7164 0.0000 0.0000 63.1226 31.1060 176.0077 73 L 4.1316 7.5094 117.1404 56.3111 42.8720 176.9808 74 Y 4.6871 7.2684 112.3303 56.9977 38.9252 176.4692 75 K 4.3936 7.9177 115.5802 57.2771 30.6477 175.6206 76 Q 4.0954 7.4469 117.5040 56.4529 30.0495 174.8614 77 H 5.0246 8.3326 118.9656 54.1962 31.2724 173.9397 78 F 5.3501 8.6721 120.6730 55.6442 42.6377 174.2659 79 S 4.7508 8.7398 118.1584 57.2512 62.7500 175.0417 80 L 4.0186 8.6891 127.7092 56.8832 41.6687 178.3363 81 K 3.8723 7.6708 119.6191 58.3529 32.6725 177.4541 82 S 4.3409 7.7016 112.4328 59.2760 63.9815 175.3990 83 G 4.0904 8.6092 109.0123 44.4579 0.0000 173.0740 84 Q 4.3886 8.0928 121.6161 56.6764 30.3730 174.5958 85 C 4.4919 8.2280 125.4610 58.2159 32.4086 173.0380 86 L 4.0863 8.9720 128.1917 57.5812 41.6417 179.2969 87 E 4.2248 7.8362 114.0068 56.0039 29.8129 176.1332 88 D 4.3144 7.5557 114.1540 54.5696 43.4360 175.4587 89 E 4.4600 8.8828 126.6044 56.8385 29.9422 177.5145 90 A 4.5582 8.5535 124.3741 53.4013 21.3107 177.1098 91 H 5.0902 7.8501 112.3943 54.5927 30.9577 174.1617 92 C 5.2123 8.5608 121.7958 58.0655 34.5905 173.1003 93 L 4.7070 8.5590 125.6376 53.5719 43.0131 176.6093 94 K 4.2174 9.5716 124.2947 56.6477 33.4273 175.7627 95 T 5.4184 8.0676 115.7755 59.8905 71.3853 172.9726 96 W 4.8489 9.6103 125.0489 55.2247 31.5822 175.7204 97 R 4.6873 8.6662 121.7725 55.5849 31.2210 175.9507 98 V 5.2271 8.4808 115.7309 60.1502 36.1966 174.2182 99 T 4.8187 9.2307 111.7752 60.5262 72.7133 172.5692 100 V 4.9948 8.1483 120.0939 60.5411 34.4399 173.9398 101 D 4.8408 8.8937 122.6785 55.4406 44.3625 176.1113 102 D 4.7139 8.4199 111.9523 54.4017 41.7887 175.5742 103 N 4.9906 9.0976 121.9624 53.8334 41.3866 173.1356 104 Q 4.6233 7.9920 118.2580 53.7578 32.1048 173.7476 105 V 4.3624 8.8211 127.8754 62.2945 33.2813 174.5954 106 C 5.4316 9.2335 124.3983 58.3272 33.1927 172.2207 107 Y 5.1816 8.3724 119.3436 55.0529 40.3891 174.7455 108 L 4.5216 8.9567 125.3628 54.8270 42.5539 176.4884 109 A 4.3977 8.5623 128.4194 52.2098 18.0887 176.8781 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 4 L 8.18 4.37 0.00 1.65 1.75 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 5 T 7.62 4.61 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 1.14 0.00 0.00 6 K 8.75 4.95 0.00 1.52 1.59 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.34 7.81 7 V 7.68 4.30 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 1.01 0.00 0.00 0.60 0.00 0.00 8 K 8.82 4.23 0.00 1.67 1.73 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.37 7.81 9 L 8.93 4.74 0.00 1.72 1.78 0.83 0.87 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 10 C 7.39 4.83 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 11 Q 7.45 4.66 0.00 2.44 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 12 L 8.17 3.70 0.00 1.53 1.53 0.17 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.95 4.58 0.00 2.80 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 14 D 7.88 4.69 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.37 4.72 0.00 1.56 1.59 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *17 P 0.00 4.09 0.00 2.34 1.76 0.00 3.92 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 18 F 8.68 4.04 0.00 3.28 3.32 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 19 I 7.50 4.50 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 0.95 0.00 0.00 20 G 9.06 3.58 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 0.00 21 A 7.80 4.82 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.40 4.79 4.12 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 0.00 0.00 1.19 0.00 0.00 23 V 8.80 4.50 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 0.62 0.00 0.00 0.75 0.00 0.00 24 L 8.25 4.81 0.00 1.34 1.44 0.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.17 3.86 1.17 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 0.59 0.22 -0.00 0.00 0.00 26 E 9.74 3.80 0.00 2.11 2.03 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 2.34 2.35 0.00 27 G 8.44 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 28 E 7.75 4.52 0.00 2.28 2.08 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 0.00 2.35 2.34 0.00 29 R 8.41 4.25 0.00 1.75 1.85 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.30 0.00 30 V 8.61 4.65 1.54 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 0.46 0.00 0.00 -0.55 0.00 0.00 31 A 9.21 5.06 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 L 8.87 5.12 0.00 1.47 1.47 0.82 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.92 5.03 0.00 3.06 2.93 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 34 Y 8.80 4.90 0.00 2.86 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 35 I 8.39 3.29 1.67 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 1.07 0.93 0.81 0.00 0.00 36 P 0.00 3.36 0.00 2.05 1.76 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.40 0.00 37 D 7.95 4.31 0.00 2.80 2.82 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 38 S 7.62 4.54 0.00 4.24 4.11 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 39 G 8.21 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.83 4.71 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 0.71 0.00 0.00 0.94 0.00 0.00 41 Y 8.81 5.07 0.00 3.08 3.08 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 0.00 0.00 0.00 0.00 42 A 8.89 5.20 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 43 V 8.65 5.43 2.23 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 0.95 0.00 0.00 1.20 0.00 0.00 44 Q 8.83 4.77 0.00 2.38 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 45 D 8.99 4.73 0.00 2.90 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 46 W 8.30 4.82 0.00 3.32 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 47 D 8.64 4.31 0.00 2.62 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 0.00 0.00 0.00 0.00 48 P 0.00 4.56 0.00 2.34 2.30 0.00 3.50 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 49 I 7.96 4.42 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.70 0.85 0.00 0.00 50 G 7.24 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 2.48 0.00 1.74 1.88 0.00 1.99 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.55 7.81 52 A 5.80 3.61 0.97 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 0.00 0.00 53 Y 8.46 5.08 0.00 3.10 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 54 V 8.20 4.37 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 0.74 0.00 0.00 0.84 0.00 0.00 *56 S 7.94 4.27 0.00 3.81 4.14 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 0.00 0.00 0.00 57 R 8.37 4.67 0.00 1.92 1.99 0.00 3.33 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 58 G 7.93 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 0.00 0.00 0.00 0.00 59 I 8.46 4.07 1.91 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 1.37 0.68 0.94 0.00 0.00 60 V 8.04 4.77 2.21 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 0.78 0.00 0.00 1.34 0.00 0.00 61 G 8.38 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 0.00 0.00 0.00 62 D 8.52 5.06 0.00 2.63 2.51 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 63 I 7.89 4.35 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.86 0.84 0.00 0.00 64 N 9.72 4.09 0.00 2.91 2.86 0.00 0.00 7.12 7.73 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 65 G 8.30 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 66 E 7.47 4.24 0.00 1.95 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 2.24 2.23 0.00 *68 C 8.59 5.38 0.00 2.96 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 V 7.91 4.69 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 0.69 0.00 0.00 0.93 0.00 0.00 70 A 8.90 4.90 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 71 S 8.83 4.24 0.00 4.16 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 72 P 0.00 4.72 0.00 2.19 2.13 0.00 3.79 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 1.93 2.13 0.00 73 L 7.51 4.13 0.00 1.37 0.90 0.76 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 7.27 4.69 0.00 3.20 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 75 K 7.92 4.39 0.00 1.93 1.83 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.53 7.81 76 Q 7.45 4.10 0.00 1.73 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.21 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 77 H 8.33 5.02 0.00 3.04 3.11 0.00 5.55 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.67 5.35 0.00 2.98 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 79 S 8.74 4.75 0.00 3.92 3.75 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 80 L 8.69 4.02 0.00 1.37 1.65 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.67 3.87 0.00 1.45 1.69 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.31 7.81 82 S 7.70 4.34 0.00 3.97 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 83 G 8.61 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 0.00 0.00 0.00 84 Q 8.09 4.39 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 85 C 8.23 4.49 0.00 3.13 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 86 L 8.97 4.09 0.00 1.56 1.62 0.93 0.53 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 87 E 7.84 4.22 0.00 2.03 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 2.16 2.18 0.00 88 D 7.56 4.31 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.46 0.00 2.11 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 2.26 2.29 0.00 90 A 8.55 4.56 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 91 H 7.85 5.09 0.00 3.36 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.56 5.21 0.00 2.99 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 93 L 8.56 4.71 0.00 1.61 1.59 0.53 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.57 4.22 0.00 1.83 1.56 0.00 1.39 0.00 0.00 1.12 0.00 0.00 2.25 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.45 1.02 7.81 95 T 8.07 5.42 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 1.31 0.00 0.00 96 W 9.61 4.85 0.00 3.25 3.09 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 97 R 8.67 4.69 0.00 1.89 1.95 0.00 3.11 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 98 V 8.48 5.23 2.26 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 0.91 0.00 0.00 1.01 0.00 0.00 99 T 9.23 4.82 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 1.25 0.00 0.00 100 V 8.15 4.99 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 1.11 0.00 0.00 0.84 0.00 0.00 101 D 8.89 4.84 0.00 2.63 2.62 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 0.00 102 D 8.42 4.71 0.00 2.58 2.35 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 0.00 103 N 9.10 4.99 0.00 2.72 2.66 0.00 0.00 6.28 6.69 0.00 0.00 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 Q 7.99 4.62 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 105 V 8.82 4.36 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 0.95 0.00 0.00 0.84 0.00 0.00 106 C 9.23 5.43 0.00 2.81 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 0.00 107 Y 8.37 5.18 0.00 3.31 3.04 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 0.00 0.00 0.00 108 L 8.96 4.52 0.00 1.72 1.74 0.97 1.22 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 0.00 109 A 8.56 4.40 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 * Residues marked with a * may have inaccurate shift predictions.