NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 P 4.3394 0.0000 0.0000 62.0113 31.6181 176.0565 -2 R 3.6794 8.3308 122.1969 57.5844 29.5851 172.7430 -1 G 3.9880 9.6968 110.7221 45.3097 0.0000 173.6095 0 S 4.3147 7.5119 115.5643 58.0661 63.0756 173.9637 1 M 4.3203 8.4727 121.1082 55.4096 32.4948 174.8173 2 I 4.8170 8.2879 122.8124 59.7613 39.4198 175.2792 3 R 4.5405 8.9419 126.2261 55.3445 32.4721 175.5505 4 T 4.9686 8.3904 118.6340 62.5213 69.8711 173.9328 5 M 5.0132 9.0978 126.4938 52.8028 36.1265 175.0606 6 L 3.2624 8.7378 123.9931 55.6707 41.8953 176.4368 7 Q 4.4340 9.2378 129.4288 58.5764 30.2850 175.6222 8 G 4.2466 7.9105 103.2737 46.6077 0.0000 172.0475 9 K 5.0497 8.3739 118.1771 55.5994 36.6674 174.9600 10 L 4.9268 8.8273 122.8089 53.9906 43.3617 175.3442 11 H 4.7369 9.4151 126.3729 54.5667 30.8363 175.3527 12 R 4.0026 8.1551 127.1842 57.1395 27.0942 176.5700 13 V 3.8036 7.4176 117.7154 60.6936 33.9593 176.2373 14 K 4.8780 8.6218 124.0731 54.7339 33.7226 176.2149 15 V 3.9767 8.6868 128.3196 63.4999 31.8831 176.2317 16 T 4.4293 8.8669 118.0783 62.5901 70.4351 174.1388 17 H 4.9029 7.9632 120.4957 55.1373 33.5830 172.3571 18 A 5.3640 8.1071 128.3369 51.6119 21.8757 175.8931 19 D 4.6364 8.5310 123.0204 52.2799 42.9738 173.1940 20 L 4.0575 8.8487 127.3393 57.8928 41.9932 178.0747 *21 H 4.6063 8.0646 117.9814 56.5368 25.3543 175.8645 *22 Y 3.6536 7.7055 119.0534 57.1703 33.8938 171.0695 23 E 4.7343 7.6401 129.6119 54.7225 30.4864 176.0012 24 A 4.2523 7.8118 121.7958 52.8876 19.3143 176.3326 25 G 4.0824 8.1440 116.2186 46.1229 0.0000 174.9951 26 S 3.8701 7.4801 115.0139 57.1703 65.1548 171.6900 27 C 5.2041 8.3861 120.0150 57.4928 33.7483 172.3204 28 A 4.9370 8.6983 128.7651 51.2784 20.2249 176.0131 29 I 4.9596 8.5891 122.6331 59.0611 41.7565 174.2594 30 D 4.3396 8.4329 125.6771 54.9403 41.2545 177.5483 31 Q 3.9963 8.8306 126.7091 59.4577 29.0533 178.3205 32 D 4.3907 8.6473 120.4249 57.3115 40.7913 178.7937 33 F 4.6175 8.1009 118.3858 60.5710 38.9605 177.6764 34 L 4.0465 8.0581 118.1772 57.9837 41.3823 179.0618 35 D 4.3689 8.4410 118.6511 57.5211 40.5854 178.8784 36 A 4.0229 7.9027 119.4115 54.6435 18.6450 178.6126 37 A 4.5709 8.2180 117.1900 51.4205 18.8674 178.3211 38 G 4.1319 7.3999 104.2132 45.9051 0.0000 173.8456 39 I 4.3771 7.6279 120.1232 60.1068 38.2706 175.6275 40 L 4.6634 8.8695 124.8614 52.5596 43.4935 175.8316 41 E 4.1305 8.4674 121.9467 58.0391 29.8829 176.9293 42 N 4.5796 9.4291 122.3549 53.3289 37.1911 173.9803 43 E 4.3236 8.0600 120.4966 55.5021 30.9866 175.8591 44 A 4.7914 8.6974 128.5269 52.2804 19.1686 176.7187 45 I 4.8037 8.7747 115.0456 59.1865 41.5591 173.8716 46 D 5.0445 8.8376 123.9526 52.7051 43.3283 175.3580 47 I 4.2963 8.1461 123.6308 59.0375 40.1609 174.4208 48 W 5.0589 8.5204 127.7577 54.9870 31.3751 174.9218 49 N 4.9756 9.4675 125.9573 52.6105 38.5061 175.7529 50 V 3.7083 8.6819 128.2333 66.3566 31.7921 177.8375 51 T 4.0677 8.3884 116.7518 65.9919 68.3898 174.7519 52 N 4.7784 8.4153 114.7994 51.8441 38.0541 175.5411 53 G 3.9815 8.4106 107.0933 45.6737 0.0000 174.1779 54 K 4.4397 8.5276 120.0133 56.3672 33.5103 176.3064 55 R 5.5103 8.6460 121.3845 54.6635 33.6460 174.4939 56 F 5.2526 9.0656 117.9317 55.6741 42.0273 173.1100 57 S 5.0101 8.7297 113.2179 57.0087 65.4532 173.6164 58 T 4.5802 8.8221 118.7692 61.5771 71.8252 171.7209 59 Y 5.3815 8.1448 116.0680 55.2020 42.3245 174.4573 60 A 5.0646 8.9547 122.8601 51.2508 20.5845 176.5387 61 I 4.9520 8.6302 114.1910 58.7725 41.5197 174.3815 62 A 4.6679 8.9540 125.6346 51.8262 19.1837 177.2246 63 A 4.5746 8.8869 124.4321 49.7476 22.2477 175.8990 64 E 4.1160 8.6111 119.5762 56.5621 30.5852 176.7899 65 R 4.2038 8.5789 125.3905 58.1843 30.4976 177.1601 66 G 3.9718 8.4389 111.2761 45.4138 0.0000 174.6115 67 S 4.1004 7.8226 114.0411 59.2249 63.2567 174.9705 68 R 3.7015 8.2762 118.3255 56.8996 28.2885 175.9354 69 I 4.0262 7.1673 118.6954 61.3463 38.5838 175.4899 70 I 4.8254 8.6709 126.3993 59.7511 40.4263 174.0721 71 S 5.0990 9.1487 123.3297 56.3440 65.0101 172.8732 72 V 4.4772 8.6555 128.3555 61.8975 32.7692 174.2154 73 N 5.1621 8.9520 126.0009 51.6608 41.2825 175.6914 74 G 3.8016 9.3620 110.2720 45.8388 0.0000 176.5256 75 A 4.0067 8.7672 122.7668 55.2498 17.9944 179.2587 76 A 3.6109 7.9427 118.0826 54.6097 18.2504 179.1430 77 A 3.9196 7.8093 118.3629 54.6579 18.4780 178.7073 78 H 4.3276 7.9702 113.5100 57.3291 28.9669 175.5661 79 C 4.5695 7.7634 116.7418 59.3424 29.5889 173.5994 80 A 4.8657 7.3921 120.7103 50.9143 21.9095 175.3786 81 S 4.7587 9.0346 116.2642 55.9092 66.5683 174.2025 82 V 3.9168 8.2504 121.9386 64.9497 31.4333 175.8429 83 G 4.0974 8.9304 115.7645 45.4365 0.0000 173.7323 84 D 4.5865 8.1174 119.5535 54.4359 42.3653 175.4890 85 I 4.7237 8.6285 123.1195 60.2652 39.0112 175.4093 86 V 5.0458 8.9284 119.6171 59.6127 36.4272 174.3669 87 I 4.8978 8.8112 123.1612 59.6517 40.0605 174.7206 88 I 4.5509 8.4063 127.3854 59.3352 39.6377 174.5644 89 A 5.1059 8.5334 128.8835 49.8487 22.5753 174.7053 90 S 5.0920 8.5233 114.2664 56.4924 66.3551 173.0169 91 F 5.2702 8.8355 119.0800 55.9275 42.1807 174.6540 92 V 4.6923 8.7825 114.7704 59.7650 35.8549 174.4535 93 T 5.6159 8.2903 111.5086 59.9292 71.1799 173.2171 94 M 4.5837 7.9894 118.0484 53.8592 34.4374 172.4002 95 P 4.7997 0.0000 0.0000 62.3826 32.5779 177.1067 96 D 4.3478 8.3752 118.5406 57.7717 40.7707 178.4918 97 E 3.9698 8.0654 118.1287 59.1366 30.1416 177.8676 98 E 4.1192 8.1880 118.7627 59.3081 29.7308 178.4604 99 A 4.1358 8.1828 120.7723 55.2673 18.2042 179.6449 100 R 4.1884 8.1144 115.5491 58.2091 30.1202 177.5644 101 T 4.6082 7.3818 106.7406 60.6618 69.3353 173.8190 102 W 4.3106 8.2655 134.5578 58.1633 31.2012 176.2044 103 R 4.2176 6.9206 123.0745 53.2544 30.9789 172.3764 104 P 4.6058 0.0000 0.0000 61.6831 32.6296 176.2080 105 N 4.5895 9.0546 120.8213 52.5716 39.4815 174.3018 106 V 4.6909 8.2666 123.7237 60.7164 34.2132 174.3023 107 A 4.5472 8.5469 129.1926 50.2482 21.5579 174.6684 108 Y 4.9873 8.1316 119.3057 56.2432 41.1092 174.8209 109 F 5.4018 8.5270 119.3289 55.8916 42.9761 173.9202 110 E 4.7146 9.0933 118.4890 54.0369 33.5900 178.0726 111 G 3.7703 8.8440 110.0278 47.2797 0.0000 175.8912 112 D 4.5887 8.7887 119.9549 54.5502 39.9140 175.2722 113 N 4.2221 7.8269 112.2947 54.2017 37.1418 175.0178 114 E 4.3598 8.4302 118.7649 55.3239 30.6382 174.6588 115 M 3.8799 8.4933 126.5800 54.7086 32.9865 175.8929 116 K 4.1094 8.7459 125.1835 56.7553 32.1797 176.7619 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 -3 P 0.00 4.34 0.00 2.23 2.31 0.00 3.69 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 1.97 1.97 0.00 -2 R 8.33 3.68 0.00 1.93 1.79 0.00 3.32 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 1.56 1.26 0.00 -1 G 9.70 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 0 S 7.51 4.31 0.00 3.82 3.81 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 1 M 8.47 4.32 0.00 2.09 2.19 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 2.65 2.57 0.00 2 I 8.29 4.82 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.89 0.88 0.00 0.00 3 R 8.94 4.54 0.00 1.81 1.84 0.00 3.28 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 4 T 8.39 4.97 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 5 M 9.10 5.01 0.00 1.87 1.66 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 6 L 8.74 3.26 0.00 1.58 1.66 0.49 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.24 4.43 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 8 G 7.91 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 0.00 0.00 0.00 0.00 9 K 8.37 5.05 0.00 1.83 1.75 0.00 1.39 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.32 7.81 10 L 8.83 4.93 0.00 1.50 1.52 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 H 9.42 4.74 0.00 3.09 3.19 0.00 5.92 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.16 4.00 0.00 2.06 2.00 0.00 3.30 0.00 0.00 3.35 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 13 V 7.42 3.80 1.03 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 0.64 0.00 0.00 -0.01 0.00 0.00 14 K 8.62 4.88 0.00 1.75 1.83 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.49 7.81 15 V 8.69 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 1.07 0.00 0.00 0.95 0.00 0.00 16 T 8.87 4.43 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 1.37 0.00 0.00 17 H 7.96 4.90 0.00 3.23 3.12 0.00 5.86 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 18 A 8.11 5.36 1.13 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 0.00 0.00 19 D 8.53 4.64 0.00 2.32 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 20 L 8.85 4.06 0.00 1.65 1.71 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 8.06 4.61 0.00 2.93 2.89 0.00 7.35 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 Y 7.71 3.65 0.00 2.42 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 0.00 0.00 0.00 0.00 23 E 7.64 4.73 0.00 1.94 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 2.26 2.26 0.00 24 A 7.81 4.25 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 25 G 8.14 4.08 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 0.00 26 S 7.48 3.87 0.00 3.54 3.39 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 27 C 8.39 5.20 0.00 2.98 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 28 A 8.70 4.94 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 29 I 8.59 4.96 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.84 1.02 0.00 0.00 30 D 8.43 4.34 0.00 2.13 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 0.00 0.00 0.00 0.00 31 Q 8.83 4.00 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 32 D 8.65 4.39 0.00 2.80 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 33 F 8.10 4.62 0.00 3.16 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 34 L 8.06 4.05 0.00 1.89 1.97 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.44 4.37 0.00 2.92 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 36 A 7.90 4.02 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 37 A 8.22 4.57 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 38 G 7.40 4.13 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 0.00 0.00 0.00 39 I 7.63 4.38 1.89 0.00 0.00 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 1.28 0.78 0.91 0.00 0.00 40 L 8.87 4.66 0.00 1.69 1.58 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.47 4.13 0.00 1.95 1.89 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 2.34 2.40 0.00 42 N 9.43 4.58 0.00 2.89 2.93 0.00 0.00 6.98 7.70 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 43 E 8.06 4.32 0.00 2.16 1.89 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 2.33 2.29 0.00 44 A 8.70 4.79 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 45 I 8.77 4.80 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.91 0.92 0.00 0.00 46 D 8.84 5.04 0.00 2.07 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 0.00 0.00 0.00 47 I 8.15 4.30 0.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.20 0.65 0.00 0.00 48 W 8.52 5.06 0.00 3.35 2.95 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 49 N 9.47 4.98 0.00 2.93 3.07 0.00 0.00 6.41 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 50 V 8.68 3.71 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 0.83 0.00 0.00 1.00 0.00 0.00 51 T 8.39 4.07 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 1.29 0.00 0.00 52 N 8.42 4.78 0.00 2.82 2.91 0.00 0.00 7.11 6.61 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 53 G 8.41 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 54 K 8.53 4.44 0.00 1.96 1.89 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.55 7.81 55 R 8.65 5.51 0.00 1.81 2.11 0.00 3.22 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 56 F 9.07 5.25 0.00 3.07 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 57 S 8.73 5.01 0.00 3.93 3.97 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 58 T 8.82 4.58 4.39 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 1.19 0.00 0.00 59 Y 8.14 5.38 0.00 3.12 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 60 A 8.95 5.06 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 61 I 8.63 4.95 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 1.08 0.00 0.00 62 A 8.95 4.67 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 63 A 8.89 4.57 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 64 E 8.61 4.12 0.00 2.02 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 2.34 2.34 0.00 65 R 8.58 4.20 0.00 1.80 1.84 0.00 3.28 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 66 G 8.44 3.97 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 0.00 67 S 7.82 4.10 0.00 3.95 3.97 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 68 R 8.28 3.70 0.00 2.01 2.28 0.00 3.29 0.00 0.00 3.77 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 69 I 7.17 4.03 1.79 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 1.19 0.93 0.90 0.00 0.00 70 I 8.67 4.83 2.02 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 1.17 1.13 0.88 0.00 0.00 71 S 9.15 5.10 0.00 3.86 3.69 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 72 V 8.66 4.48 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 0.98 0.00 0.00 1.02 0.00 0.00 73 N 8.95 5.16 0.00 2.81 2.64 0.00 0.00 6.50 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 74 G 9.36 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 0.00 0.00 0.00 75 A 8.77 4.01 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 76 A 7.94 3.61 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 77 A 7.81 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 78 H 7.97 4.33 0.00 3.18 3.28 0.00 5.61 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 79 C 7.76 4.57 0.00 1.94 2.53 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 80 A 7.39 4.87 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 81 S 9.03 4.76 0.00 3.83 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 82 V 8.25 3.92 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 0.83 0.00 0.00 0.96 0.00 0.00 83 G 8.93 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.12 4.59 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.63 4.72 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.97 0.91 0.00 0.00 86 V 8.93 5.05 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 0.78 0.00 0.00 0.92 0.00 0.00 87 I 8.81 4.90 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 1.06 0.00 0.00 88 I 8.41 4.55 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.68 0.76 0.00 0.00 89 A 8.53 5.11 0.69 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 0.00 0.00 90 S 8.52 5.09 0.00 4.07 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 91 F 8.84 5.27 0.00 2.87 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 92 V 8.78 4.69 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 0.66 0.00 0.00 0.50 0.00 0.00 93 T 8.29 5.62 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 1.20 0.00 0.00 94 M 7.99 4.58 0.00 1.83 2.22 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 95 P 0.00 4.80 0.00 2.20 2.01 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 96 D 8.38 4.35 0.00 2.83 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 97 E 8.07 3.97 0.00 2.02 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 2.39 0.00 98 E 8.19 4.12 0.00 2.10 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 0.00 2.47 2.48 0.00 99 A 8.18 4.14 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 0.00 100 R 8.11 4.19 0.00 2.01 2.05 0.00 3.13 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 101 T 7.38 4.61 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 1.25 0.00 0.00 102 W 8.27 4.31 0.00 3.49 3.20 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 0.00 103 R 6.92 4.22 0.00 1.83 1.67 0.00 3.33 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 104 P 0.00 4.61 0.00 1.88 2.21 0.00 3.48 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.34 0.00 105 N 9.05 4.59 0.00 2.79 2.93 0.00 0.00 6.59 8.28 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 0.00 106 V 8.27 4.69 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 -0.09 0.00 0.00 0.83 0.00 0.00 107 A 8.55 4.55 1.03 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 0.00 0.00 0.00 108 Y 8.13 4.99 0.00 2.80 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 0.00 109 F 8.53 5.40 0.00 3.13 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 0.00 110 E 9.09 4.71 0.00 2.03 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 2.20 2.29 0.00 111 G 8.84 3.77 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 0.00 0.00 0.00 112 D 8.79 4.59 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.83 4.22 0.00 3.01 3.04 0.00 0.00 7.15 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 0.00 114 E 8.43 4.36 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 2.30 2.29 0.00 115 M 8.49 3.88 0.00 1.89 1.75 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.26 0.00 116 K 8.75 4.11 0.00 1.71 1.65 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.