NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2188 8.3144 121.7893 55.7224 32.3776 174.9640 2 E 3.8849 8.5846 128.2074 53.9657 30.2505 175.8661 3 S 4.3439 8.9391 123.1680 58.1035 66.0026 174.6079 4 A 3.9876 8.5988 125.2723 55.3251 18.4286 179.8637 5 A 4.0766 7.9673 118.4931 55.4263 18.5816 179.5693 6 A 4.0326 8.2504 119.4496 55.2128 18.5081 179.7765 7 K 4.0471 8.4342 118.5103 59.4234 32.1588 178.9312 8 F 4.2044 8.3177 121.3606 61.0312 39.2457 177.0756 9 E 4.0083 8.2580 117.8020 59.6203 29.2436 179.0037 10 R 3.8432 7.9506 117.2804 59.4114 30.1234 177.8146 11 Q 4.1630 7.7079 115.8190 56.9799 29.2463 176.0199 12 H 4.6888 8.0942 113.5342 54.9005 30.7384 172.9028 13 M 4.5136 7.9523 120.4221 53.7244 33.4166 176.1442 14 D 4.5098 8.0520 120.7314 54.3572 42.2117 174.5038 15 S 4.6818 8.5093 120.5879 58.4141 62.9683 175.1902 16 G 3.9036 8.0684 107.1488 44.1356 0.0000 171.8887 17 N 3.9601 7.4130 121.5912 53.3845 39.6903 173.5285 18 S 4.7135 8.8096 116.0913 58.2483 63.6761 174.5629 19 A 4.6791 7.7786 121.4193 52.1834 20.5008 179.0094 20 S 4.2145 8.0790 111.5155 60.8418 63.4596 176.5566 21 S 4.2667 8.1728 114.8847 60.3448 62.8404 174.9342 22 S 4.7589 7.8114 114.4189 57.8185 62.9959 175.9099 23 S 4.3101 8.4970 117.2062 60.9541 62.9356 174.6387 24 N 4.9693 8.0076 118.1930 53.3827 38.9626 176.0048 25 Y 3.9748 7.9689 120.1699 60.9908 38.8048 176.6740 26 C 4.1222 8.6709 117.5265 60.0708 40.0944 176.4043 27 N 4.2673 7.8877 117.1714 56.2437 38.4202 176.9379 28 Q 4.0232 7.4843 117.0702 59.5772 29.0125 177.8555 29 M 3.8627 7.6029 119.9530 57.3692 33.2834 177.5270 30 M 4.1952 7.2302 120.4004 54.5534 30.1473 176.9892 *33 R 4.3070 7.6122 114.3100 55.0701 32.2054 175.9334 34 K 3.8386 8.0810 114.3446 57.8600 30.0235 175.1135 35 M 4.4697 7.5937 115.0140 55.5092 32.5801 175.9405 36 T 5.1770 7.5135 104.3008 60.2563 69.0772 173.9111 37 Q 4.7092 7.7142 119.9416 55.8816 32.1706 178.0165 38 G 3.8839 9.9944 112.5872 46.2787 0.0000 172.9992 39 K 3.9558 7.8561 116.9359 56.5221 35.4447 173.1695 40 C 4.8278 8.6345 116.9142 54.7214 41.1230 174.0752 41 K 4.1454 8.3061 126.3349 55.8216 32.3294 174.5391 42 P 4.5472 0.0000 0.0000 65.5051 32.0795 176.3743 43 V 5.0098 7.4770 117.4758 61.0060 34.9193 174.0594 44 N 4.6911 8.8373 122.5068 53.0222 42.6992 173.1668 45 T 5.0088 7.9689 120.9135 61.6651 71.9771 173.3609 46 F 4.7723 8.8418 122.2877 55.6784 42.7997 174.0485 47 V 4.4234 8.5164 122.9540 61.6267 32.6602 174.7752 48 H 4.9529 8.6850 124.2664 55.8709 29.1972 175.2952 49 E 4.4314 8.0589 118.6367 54.9547 30.8369 176.8778 50 S 4.2984 8.3332 115.3444 58.5291 64.7783 175.0970 51 L 3.9374 8.5559 124.7063 58.3520 41.6597 178.7038 52 A 3.9729 8.0876 119.1551 55.8316 18.4608 178.7152 53 D 4.4563 8.5376 116.5738 57.6027 41.0930 179.4482 54 V 3.6458 7.8573 118.5867 65.7784 31.5337 177.9585 55 K 3.8925 8.4505 119.6421 59.4057 32.0123 178.4998 56 A 3.9970 7.9097 120.9691 55.0174 18.0611 179.7372 57 V 4.1510 7.4652 118.1626 65.9826 31.4143 177.3598 58 C 3.4400 7.6099 114.8132 58.6193 40.0521 174.5876 59 S 4.5922 7.3657 114.1249 57.9445 64.0332 174.6939 60 Q 4.6985 7.9538 122.2538 56.3393 29.1533 175.2091 61 K 4.4755 8.6199 125.1874 57.3939 33.2458 177.1222 62 K 4.3681 8.6371 127.0462 56.3460 33.0427 176.2875 63 V 4.3652 8.1463 115.4434 60.7292 36.8362 173.4381 64 T 4.1209 8.2317 116.1401 61.5338 68.4869 174.5316 65 C 5.3784 8.1218 121.7443 55.0025 41.5395 175.2037 66 K 3.7333 8.8840 121.5971 59.1585 33.5514 178.1385 67 D 4.7299 8.3103 119.2370 54.0922 39.2632 177.5852 68 G 3.9340 8.8398 119.3342 46.4833 0.0000 173.5406 69 Q 4.2552 7.9800 119.5133 53.6990 28.2528 173.6944 70 T 3.8712 8.1452 113.8872 62.4832 68.0911 174.3915 71 N 4.8558 8.2489 126.2713 52.6131 38.0521 174.4925 72 C 5.4960 8.0060 115.6179 56.3909 45.5835 172.6882 73 Y 5.2099 9.1512 117.5455 56.4113 41.7448 174.2027 74 Q 5.1585 8.9604 125.2488 54.0090 30.9522 175.4640 75 S 4.4424 8.6884 121.3263 58.4886 63.3197 174.4588 76 K 4.0952 9.1976 124.4348 58.9906 32.2932 176.9656 77 S 4.8568 7.7240 111.5389 55.9135 65.1556 173.6501 78 T 4.0197 8.1931 113.3267 62.6520 68.8656 172.5477 79 M 5.0375 8.7677 120.0107 53.4700 37.1351 175.0828 80 R 4.5193 9.2703 121.8045 56.4784 31.3412 175.9689 81 I 5.0054 8.8028 116.2917 59.6698 42.0227 173.8271 82 T 5.0376 8.9899 119.2689 61.8557 71.6601 172.6353 83 D 5.1601 9.6957 126.7535 52.9087 43.6040 174.2350 84 C 5.7179 9.1608 122.7729 55.2780 40.9376 173.0275 85 R 5.1028 8.7632 123.0138 54.1686 33.2998 173.7679 86 E 3.6740 8.7480 128.3684 56.5355 30.1623 176.7526 87 T 4.0071 9.3188 118.4919 61.2905 69.7211 175.7005 88 G 3.7029 8.9240 112.8733 48.5790 0.0000 174.2757 89 S 4.6047 7.3284 110.8016 57.8199 63.3383 174.0615 90 S 4.4410 7.9289 116.3703 58.2606 63.0886 172.9765 91 K 4.4278 8.2994 124.1815 55.2136 35.4825 174.2637 92 Y 4.3219 8.8441 127.1558 57.8770 39.1489 174.2312 93 P 3.3540 0.0000 0.0000 62.6582 32.1358 176.4349 94 N 4.8955 7.9916 115.4442 52.5108 39.1077 173.1956 95 C 4.6821 8.4298 116.6784 56.0920 39.9954 173.1677 96 A 5.1261 8.4597 124.0812 50.5223 21.6863 174.5167 97 Y 4.9594 9.5022 119.8449 56.0176 41.6508 174.9944 98 K 4.6792 9.2052 123.0080 55.2280 34.7975 174.9384 99 T 5.0991 8.5573 122.8572 62.2169 70.7658 173.7973 100 T 4.5642 9.0121 122.8469 61.8814 72.0035 172.9865 101 Q 4.9198 8.7546 126.2774 55.2413 30.0593 175.5983 102 V 4.5369 8.5909 117.4372 60.2998 36.6349 174.2440 103 E 5.1612 8.5537 120.7923 55.5238 32.2765 174.8130 104 K 4.7174 8.3475 122.9488 54.7474 37.6740 175.4540 105 H 4.8734 8.9575 118.4851 55.8381 30.0469 175.0347 106 I 5.0094 9.2048 114.5656 59.2476 41.2684 174.2256 107 I 5.0638 8.1474 123.2867 59.7611 40.6546 175.1942 108 V 4.8102 8.7913 118.0774 60.0821 36.6093 173.7477 109 A 5.4466 8.8748 124.4184 50.2001 21.4597 175.3869 110 C 5.4854 8.6736 116.2685 55.7211 45.5529 172.8887 111 G 3.8568 9.0249 106.0116 46.6915 0.0000 173.8276 112 G 4.4213 8.8416 110.8603 44.6039 0.0000 172.8199 113 K 4.4488 8.2210 117.0230 53.6249 34.3911 175.1407 114 P 4.5792 0.0000 0.0000 61.7154 32.6048 175.4122 115 S 5.3602 8.2020 113.1517 58.0360 63.6507 174.1389 116 V 4.5957 8.1797 115.6588 58.4477 36.0978 173.0730 117 P 4.8306 0.0000 0.0000 63.6332 31.3357 176.5884 118 V 4.5207 9.1799 115.5363 61.1049 33.8441 175.2181 119 H 4.7496 7.9720 119.0244 55.0841 33.3467 171.8316 120 F 4.5326 8.7372 128.3275 57.3538 39.7400 174.5254 121 D 4.3752 8.6470 127.0113 55.9025 42.3486 175.5743 122 A 4.8349 6.3935 116.5915 52.4962 23.4418 174.3858 123 S 4.9450 8.5440 110.1800 56.7342 66.4703 174.3863 124 V 3.9344 8.2639 118.9084 62.7371 31.9458 171.0363 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 K 8.31 4.22 0.00 1.73 1.84 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 2 E 8.58 3.88 0.00 2.06 1.86 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 2.31 2.38 0.00 3 S 8.94 4.34 0.00 4.10 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 4 A 8.60 3.99 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 5 A 7.97 4.08 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 6 A 8.25 4.03 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 7 K 8.43 4.05 0.00 1.98 2.09 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.59 7.81 8 F 8.32 4.20 0.00 3.20 3.29 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 0.00 9 E 8.26 4.01 0.00 2.28 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 2.59 2.70 0.00 10 R 7.95 3.84 0.00 1.79 1.95 0.00 3.23 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 11 Q 7.71 4.16 0.00 1.92 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.47 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 12 H 8.09 4.69 0.00 2.08 2.82 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.95 4.51 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 14 D 8.05 4.51 0.00 2.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.51 4.68 0.00 3.91 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 16 G 8.07 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 17 N 7.41 3.96 0.00 2.96 2.77 0.00 0.00 7.03 7.51 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 18 S 8.81 4.71 0.00 3.96 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 19 A 7.78 4.68 1.31 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 0.00 0.00 20 S 8.08 4.21 0.00 4.02 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 0.00 21 S 8.17 4.27 0.00 3.99 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 22 S 7.81 4.76 0.00 3.96 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 23 S 8.50 4.31 0.00 4.00 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 24 N 8.01 4.97 0.00 2.77 2.83 0.00 0.00 6.80 7.48 0.00 0.00 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 7.97 3.97 0.00 3.08 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 26 C 8.67 4.12 0.00 3.20 3.31 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 27 N 7.89 4.27 0.00 2.75 2.86 0.00 0.00 6.95 7.69 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 28 Q 7.48 4.02 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 29 M 7.60 3.86 0.00 1.08 1.38 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.72 0.00 30 M 7.23 4.20 0.00 1.30 1.51 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.49 0.00 *33 R 7.61 4.31 0.00 2.04 2.06 0.00 3.57 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 34 K 8.08 3.84 0.00 1.87 1.87 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.35 7.81 35 M 7.59 4.47 0.00 2.15 1.99 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 2.52 2.46 0.00 36 T 7.51 5.18 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 1.31 0.00 0.00 37 Q 7.71 4.71 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.87 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 38 G 9.99 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 39 K 7.86 3.96 0.00 1.82 1.73 0.00 1.25 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.13 1.36 7.81 40 C 8.63 4.83 0.00 3.28 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 41 K 8.31 4.15 0.00 1.85 1.86 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.42 7.81 42 P 0.00 4.55 0.00 2.14 2.28 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 43 V 7.48 5.01 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 0.83 0.00 0.00 0.94 0.00 0.00 44 N 8.84 4.69 0.00 2.82 2.50 0.00 0.00 6.97 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 45 T 7.97 5.01 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 1.02 0.00 0.00 46 F 8.84 4.77 0.00 3.00 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 47 V 8.52 4.42 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 0.86 0.00 0.00 0.98 0.00 0.00 48 H 8.68 4.95 0.00 3.19 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.06 4.43 0.00 1.99 1.90 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 2.32 2.26 0.00 50 S 8.33 4.30 0.00 4.06 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 51 L 8.56 3.94 0.00 1.80 1.72 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.09 3.97 1.31 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 0.00 0.00 53 D 8.54 4.46 0.00 2.83 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 54 V 7.86 3.65 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 1.05 0.00 0.00 1.03 0.00 0.00 55 K 8.45 3.89 0.00 2.13 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.44 7.81 56 A 7.91 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 4.15 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 1.41 0.00 0.00 1.02 0.00 0.00 58 C 7.61 3.44 0.00 2.94 2.85 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 59 S 7.37 4.59 0.00 3.84 3.76 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 60 Q 7.95 4.70 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 61 K 8.62 4.48 0.00 1.84 1.70 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.42 7.81 62 K 8.64 4.37 0.00 1.47 1.16 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.59 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.43 7.81 63 V 8.15 4.37 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 0.62 0.00 0.00 0.85 0.00 0.00 64 T 8.23 4.12 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 1.17 0.00 0.00 65 C 8.12 5.38 0.00 3.01 3.24 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 66 K 8.88 3.73 0.00 1.74 1.91 0.00 2.05 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.64 7.81 67 D 8.31 4.73 0.00 2.64 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 0.00 0.00 0.00 68 G 8.84 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 69 Q 7.98 4.26 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 70 T 8.15 3.87 4.16 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 1.17 0.00 0.00 71 N 8.25 4.86 0.00 2.74 3.09 0.00 0.00 5.96 7.68 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 72 C 8.01 5.50 0.00 2.93 2.91 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 73 Y 9.15 5.21 0.00 2.83 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 74 Q 8.96 5.16 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 75 S 8.69 4.44 0.00 4.08 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 76 K 9.20 4.10 0.00 1.74 1.90 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.52 7.81 77 S 7.72 4.86 0.00 3.99 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 78 T 8.19 4.02 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 0.81 0.00 0.00 79 M 8.77 5.04 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 80 R 9.27 4.52 0.00 1.85 1.88 0.00 3.39 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 81 I 8.80 5.01 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 1.01 0.00 0.00 82 T 8.99 5.04 4.45 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 1.40 0.00 0.00 83 D 9.70 5.16 0.00 2.81 2.57 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 84 C 9.16 5.72 0.00 3.20 3.31 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 85 R 8.76 5.10 0.00 1.82 1.70 0.00 3.13 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 86 E 8.75 3.67 0.00 1.58 1.65 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 2.17 2.12 0.00 87 T 9.32 4.01 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 1.24 0.00 0.00 88 G 8.92 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 89 S 7.33 4.60 0.00 3.99 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 90 S 7.93 4.44 0.00 3.97 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 91 K 8.30 4.43 0.00 1.72 1.60 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.51 7.81 92 Y 8.84 4.32 0.00 2.98 2.91 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 93 P 0.00 3.35 0.00 1.65 0.73 0.00 3.62 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 1.71 1.78 0.00 94 N 7.99 4.90 0.00 2.84 2.70 0.00 0.00 7.10 7.38 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 95 C 8.43 4.68 0.00 3.23 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 96 A 8.46 5.13 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 97 Y 9.50 4.96 0.00 2.90 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 98 K 9.21 4.68 0.00 1.80 1.68 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 99 T 8.56 5.10 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 1.31 0.00 0.00 100 T 9.01 4.56 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 1.24 0.00 0.00 101 Q 8.75 4.92 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 102 V 8.59 4.54 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 0.86 0.00 0.00 0.96 0.00 0.00 103 E 8.55 5.16 0.00 1.79 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 2.21 2.18 0.00 104 K 8.35 4.72 0.00 1.69 1.70 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 105 H 8.96 4.87 0.00 3.23 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.20 5.01 1.89 0.00 0.00 1.00 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 0.88 1.18 0.00 0.00 107 I 8.15 5.06 1.72 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 1.16 0.64 0.89 0.00 0.00 108 V 8.79 4.81 2.19 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 0.62 0.00 0.00 0.97 0.00 0.00 109 A 8.87 5.45 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 0.00 110 C 8.67 5.49 0.00 2.88 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 0.00 111 G 9.02 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 0.00 112 G 8.84 4.42 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 0.00 113 K 8.22 4.45 0.00 1.70 1.71 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.33 7.81 114 P 0.00 4.58 0.00 2.15 2.08 0.00 3.76 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 1.97 1.94 0.00 115 S 8.20 5.36 0.00 3.88 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 0.00 116 V 8.18 4.60 2.09 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 0.73 0.00 0.00 1.00 0.00 0.00 117 P 0.00 4.83 0.00 1.98 2.05 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 118 V 9.18 4.52 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 0.68 0.00 0.00 1.02 0.00 0.00 119 H 7.97 4.75 0.00 3.23 3.13 0.00 5.85 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 0.00 120 F 8.74 4.53 0.00 3.05 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 0.00 121 D 8.65 4.38 0.00 2.63 2.42 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 0.00 122 A 6.39 4.83 1.17 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 0.00 123 S 8.54 4.94 0.00 4.07 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 0.00 124 V 8.26 3.93 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 0.59 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.