NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3324 8.1593 117.3736 62.3261 69.9237 173.4511 2 P 4.1657 0.0000 0.0000 62.9690 31.6356 174.9672 3 Q 4.1979 8.5020 120.5106 57.8137 30.4713 176.6372 4 N 5.0466 7.5559 113.8879 50.3360 41.8730 174.7352 5 I 3.6692 8.1656 118.6790 64.6027 37.5968 177.7844 6 T 3.8443 7.9015 116.8079 66.6175 67.9954 176.5118 7 D 4.3543 7.9291 119.7230 57.0407 41.0932 178.0349 8 L 4.2610 7.8868 120.9214 58.3594 41.9581 178.2390 9 C 4.2702 8.4928 118.3952 59.4945 43.3351 175.1261 10 A 3.8468 7.4489 120.5484 54.2296 17.9916 178.9977 11 E 3.8944 7.7271 117.0658 57.9415 29.9029 176.8893 12 Y 4.5110 7.1832 118.3608 57.2337 39.2866 176.0537 *13 H 4.4108 8.7360 120.4978 55.1065 29.0674 172.2176 14 N 4.4065 8.8529 112.7880 55.7253 35.8183 174.0341 15 T 5.2263 7.9421 107.8482 60.9111 72.6001 173.5454 *16 Q 4.6554 8.5320 121.0772 54.3885 33.0769 174.3726 17 I 4.4171 8.2093 123.9046 60.1571 38.4140 174.8893 18 H 4.7187 8.6376 125.3487 54.9398 30.3955 174.4847 19 T 4.6733 8.4820 120.3736 62.8108 68.8727 173.9342 20 L 4.1783 8.5409 126.4188 55.2235 43.3431 178.0721 21 N 4.2651 7.6510 113.3683 53.6073 37.1053 173.6178 22 D 4.8301 7.6906 114.1413 52.1852 44.6481 174.3065 23 K 4.8332 8.4778 123.0232 56.3016 33.2660 176.1897 24 I 3.5667 8.0605 120.6225 60.5043 37.8934 176.1078 25 F 4.5515 8.6437 128.9619 60.9280 39.8968 175.5535 26 S 4.2605 7.7611 110.3918 56.6020 66.5649 172.3934 27 Y 4.8443 7.5999 122.2785 56.1233 41.5855 174.7831 28 T 4.4892 7.3969 121.4823 61.7482 72.7649 172.6911 29 E 5.0586 8.5577 123.4682 54.4322 32.9217 174.8587 30 S 4.8531 8.8117 115.9940 56.4972 65.5661 174.1707 31 L 4.6174 8.5486 124.2242 55.1119 41.3983 176.5234 32 A 4.1024 7.7381 123.3825 51.9794 18.9148 177.4693 33 G 3.8734 8.4135 110.3413 46.6551 0.0000 174.2048 34 K 3.9586 8.7599 121.4606 56.9067 31.0137 176.5558 35 R 4.6873 7.8319 116.4486 55.1404 30.5948 177.3750 36 E 4.8822 7.9515 120.0863 54.3324 29.0330 176.5581 37 M 4.8638 7.8789 119.9347 53.6402 36.1265 174.0506 38 A 5.1758 8.3326 118.6174 50.2975 23.1167 175.6553 39 I 4.9807 8.5221 120.3810 59.9439 41.3572 174.5473 40 I 5.5478 8.9507 121.0000 58.6770 40.7883 174.5441 41 T 5.8644 7.8378 112.3275 59.2022 73.0232 172.0185 42 F 5.1509 8.7237 121.3816 55.7780 42.7839 177.4236 43 K 3.6285 8.3354 121.3561 57.6242 31.4190 177.2844 44 N 4.5270 8.0857 113.3823 53.3670 37.7020 175.7119 45 G 3.8818 7.9993 106.9179 44.8968 0.0000 173.7972 46 A 4.1252 8.0613 122.7808 52.4452 19.2265 176.4996 47 T 4.8332 7.8583 119.1609 61.9721 71.2710 173.8075 48 F 5.4029 9.0507 122.6246 56.1903 44.4584 173.2728 49 Q 5.0977 9.0250 116.9652 54.6881 32.5000 173.9814 50 V 4.2728 8.1843 119.9960 61.2294 33.0252 175.3488 51 E 4.5355 8.8568 127.2263 55.6725 30.3401 176.9835 52 V 3.9378 8.2568 122.2190 62.2374 32.2821 174.2192 53 P 4.4575 0.0000 0.0000 63.2919 31.9966 176.0805 54 G 4.0449 8.0925 109.2240 45.2674 0.0000 173.2011 55 S 4.2905 8.5223 113.0891 60.0121 63.4464 175.1955 56 Q 3.9771 7.7954 118.4300 58.0943 28.8112 175.5060 57 H 5.1585 7.5717 116.1427 53.1214 29.8963 175.0842 58 I 4.1392 8.2161 117.4904 60.1600 38.8597 176.6132 59 D 4.4138 8.5798 120.1356 57.1934 40.9293 179.2486 60 S 4.1875 8.1779 113.0737 61.4217 63.0893 176.2607 61 Q 4.1496 7.9163 119.4019 57.8763 27.9653 178.7971 62 K 4.0336 7.9913 122.2550 60.1526 32.2669 180.0487 63 K 4.1821 8.0503 122.7048 59.2269 31.6914 180.5762 64 A 4.3055 7.8504 119.4189 55.4166 18.4410 179.5816 65 I 3.7130 7.8016 118.6099 64.6325 37.1269 178.5165 66 E 4.0521 7.9292 118.1755 59.2577 29.2283 179.3444 67 R 3.9439 7.9325 118.8106 59.4776 30.1280 178.2644 68 M 4.0865 8.0813 118.2467 58.3978 32.1157 178.3938 69 K 4.2073 8.0557 118.3765 59.2191 32.1978 179.1796 70 D 4.3210 7.9927 119.0701 57.6934 40.7910 178.8550 71 T 3.8736 7.9975 116.2864 66.6918 68.4402 176.7948 72 L 4.1007 8.1264 120.8985 57.4025 41.6351 179.5529 73 R 2.8213 7.4608 118.7162 59.1265 29.9179 178.3504 74 I 3.8026 7.6312 117.5032 63.0159 38.0655 177.7470 75 A 3.9378 8.0052 122.1347 55.3086 18.1677 178.7081 76 Y 4.0494 7.8873 118.0387 61.0513 38.6656 178.6264 77 L 3.6223 7.6421 118.2131 57.2620 41.8365 178.3031 78 T 4.0511 7.3893 107.2325 61.4939 69.3216 174.3778 79 E 3.5871 7.4955 120.3695 57.3356 26.9480 174.0440 80 A 4.3956 7.6421 119.8533 50.8893 20.5845 177.9405 81 K 4.2815 8.6765 123.8751 56.6389 33.5925 175.6742 82 V 3.8693 8.5335 128.1511 62.0111 32.2899 175.5838 83 E 4.0783 9.1700 132.7366 59.2347 29.9154 176.9584 84 K 5.0792 8.2201 120.6633 53.5869 37.1947 176.3385 85 L 5.0402 8.4287 119.6425 53.5510 45.2894 174.9646 86 C 4.8620 8.7265 124.2257 55.8805 42.9973 172.7122 87 V 4.9292 8.1835 118.4503 59.0098 36.0587 174.9035 88 W 5.0321 9.1044 124.5446 56.5071 29.4175 176.5139 89 N 4.5552 9.0417 122.5574 53.6199 37.2585 175.6973 90 N 4.5814 8.6454 118.8138 54.5046 37.9893 175.4315 *91 K 4.6512 7.9421 120.5814 53.0130 34.8837 180.5281 92 T 4.7720 8.1954 115.8913 61.3331 70.4983 172.5732 93 P 4.5714 0.0000 0.0000 62.1869 33.1548 175.7747 94 H 4.9135 8.9201 116.7831 55.7671 29.7892 174.9600 95 A 4.9088 8.8550 125.3397 51.7198 20.1864 176.4120 96 I 4.3701 8.7527 122.8526 60.8519 37.1744 175.8849 97 A 4.1954 8.3389 129.6246 53.8846 19.6347 176.6356 98 A 4.4570 7.3002 114.3076 51.4882 22.7624 175.1838 99 I 5.1158 8.1568 118.6642 59.4692 41.5185 174.2053 100 S 4.9167 9.0143 123.0997 56.7730 65.9614 172.7153 101 M 5.2874 8.6146 120.7297 53.6585 35.0970 174.7737 102 A 4.6644 8.3633 122.4660 49.9787 22.8010 175.9767 103 N 4.3466 9.0352 117.9110 53.9833 38.6552 174.9040 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 4.33 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 4.17 0.00 2.26 2.06 0.00 3.76 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 2.00 2.26 0.00 3 Q 8.50 4.20 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 4 N 7.56 5.05 0.00 2.86 2.87 0.00 0.00 5.92 7.67 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 5 I 8.17 3.67 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 1.57 1.48 0.87 0.00 0.00 6 T 7.90 3.84 4.36 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 1.18 0.00 0.00 7 D 7.93 4.35 0.00 2.76 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 8 L 7.89 4.26 0.00 1.87 1.82 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.49 4.27 0.00 3.14 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 10 A 7.45 3.85 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 11 E 7.73 3.89 0.00 1.67 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 12 Y 7.18 4.51 0.00 2.92 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 *13 H 8.74 4.41 0.00 2.93 2.86 0.00 7.35 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.85 4.41 0.00 3.23 3.06 0.00 0.00 6.32 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 7.94 5.23 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 1.01 0.00 0.00 *16 Q 8.53 4.66 0.00 1.73 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 17 I 8.21 4.42 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.20 0.85 0.00 0.00 18 H 8.64 4.72 0.00 3.01 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.48 4.67 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 1.23 0.00 0.00 20 L 8.54 4.18 0.00 1.23 1.25 0.54 0.79 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 7.65 4.27 0.00 2.77 2.88 0.00 0.00 6.81 8.12 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 22 D 7.69 4.83 0.00 2.91 2.70 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 23 K 8.48 4.83 0.00 1.95 1.87 0.00 1.24 0.00 0.00 1.08 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.51 7.81 24 I 8.06 3.57 2.01 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 0.99 0.59 0.79 0.00 0.00 25 F 8.64 4.55 0.00 3.12 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 26 S 7.76 4.26 0.00 3.74 3.79 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 27 Y 7.60 4.84 0.00 2.66 2.34 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 28 T 7.40 4.49 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 1.07 0.00 0.00 29 E 8.56 5.06 0.00 1.89 1.73 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 2.25 2.29 0.00 30 S 8.81 4.85 0.00 3.85 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 31 L 8.55 4.62 0.00 1.75 1.73 0.92 0.49 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 32 A 7.74 4.10 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 33 G 8.41 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 0.00 0.00 0.00 34 K 8.76 3.96 0.00 2.20 1.97 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.36 1.27 7.81 35 R 7.83 4.69 0.00 1.73 1.80 0.00 3.30 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 36 E 7.95 4.88 0.00 1.97 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 2.20 0.00 37 M 7.88 4.86 0.00 2.03 2.16 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 2.57 2.50 0.00 38 A 8.33 5.18 1.21 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 39 I 8.52 4.98 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 0.97 0.93 0.00 0.00 40 I 8.95 5.55 1.84 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 1.07 0.00 0.00 41 T 7.84 5.86 4.27 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 1.20 0.00 0.00 42 F 8.72 5.15 0.00 3.11 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 43 K 8.34 3.63 0.00 1.80 1.74 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.26 7.81 44 N 8.09 4.53 0.00 2.82 2.97 0.00 0.00 6.27 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 8.00 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 46 A 8.06 4.13 1.26 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 0.00 0.00 47 T 7.86 4.83 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 1.12 0.00 0.00 48 F 9.05 5.40 0.00 3.07 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 49 Q 9.02 5.10 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 50 V 8.18 4.27 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 1.01 0.00 0.00 1.03 0.00 0.00 51 E 8.86 4.54 0.00 1.93 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 0.00 2.36 2.20 0.00 52 V 8.26 3.94 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 0.77 0.00 0.00 1.01 0.00 0.00 53 P 0.00 4.46 0.00 2.10 2.01 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 54 G 8.09 4.04 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 0.00 0.00 0.00 55 S 8.52 4.29 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 56 Q 7.80 3.98 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 1.78 1.95 0.00 57 H 7.57 5.16 0.00 3.08 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.22 4.14 1.90 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 1.59 0.86 0.93 0.00 0.00 59 D 8.58 4.41 0.00 2.74 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 60 S 8.18 4.19 0.00 4.00 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 0.00 61 Q 7.92 4.15 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 62 K 7.99 4.03 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.61 7.81 63 K 8.05 4.18 0.00 1.76 1.82 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.07 7.81 64 A 7.85 4.31 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 65 I 7.80 3.71 2.01 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.91 0.00 0.00 66 E 7.93 4.05 0.00 2.18 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 2.54 2.47 0.00 67 R 7.93 3.94 0.00 2.01 2.12 0.00 3.10 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 68 M 8.08 4.09 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 69 K 8.06 4.21 0.00 1.90 1.97 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.74 7.81 70 D 7.99 4.32 0.00 2.89 2.70 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 71 T 8.00 3.87 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 1.22 0.00 0.00 72 L 8.13 4.10 0.00 1.87 1.90 1.07 0.69 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 73 R 7.46 2.82 0.00 1.19 1.81 0.00 3.03 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.22 0.00 74 I 7.63 3.80 1.81 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 1.02 nan 0.00 0.00 75 A 8.01 3.94 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 7.89 4.05 0.00 3.07 3.12 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 0.00 77 L 7.64 3.62 0.00 1.59 1.60 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.39 4.05 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 1.20 0.00 0.00 79 E 7.50 3.59 0.00 2.05 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 0.00 2.05 2.09 0.00 80 A 7.64 4.40 1.25 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 81 K 8.68 4.28 0.00 1.98 1.91 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.50 1.01 7.81 82 V 8.53 3.87 2.43 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 0.98 0.00 0.00 1.13 0.00 0.00 83 E 9.17 4.08 0.00 2.13 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 0.00 2.28 2.26 0.00 84 K 8.22 5.08 0.00 1.43 1.57 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 1.29 7.81 85 L 8.43 5.04 0.00 1.12 1.22 0.33 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.73 4.86 0.00 2.87 2.74 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 0.00 0.00 0.00 0.00 87 V 8.18 4.93 2.32 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 0.52 0.00 0.00 1.09 0.00 0.00 88 W 9.10 5.03 0.00 3.46 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 89 N 9.04 4.56 0.00 2.62 2.74 0.00 0.00 6.33 8.04 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 90 N 8.65 4.58 0.00 2.90 3.05 0.00 0.00 5.80 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 7.94 4.65 0.00 1.67 1.68 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 0.99 7.81 92 T 8.20 4.77 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 1.19 0.00 0.00 93 P 0.00 4.57 0.00 2.14 1.98 0.00 3.79 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 2.02 1.98 0.00 94 H 8.92 4.91 0.00 3.49 3.60 0.00 5.89 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 8.86 4.91 1.51 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 0.00 0.00 96 I 8.75 4.37 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.84 0.96 0.00 0.00 97 A 8.34 4.20 -0.16 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 0.00 0.00 98 A 7.30 4.46 1.10 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 99 I 8.16 5.12 1.86 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 1.41 0.90 0.92 0.00 0.00 100 S 9.01 4.92 0.00 3.88 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 0.00 101 M 8.61 5.29 0.00 1.94 1.97 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 2.50 2.62 0.00 102 A 8.36 4.66 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 9.04 4.35 0.00 2.72 2.79 0.00 0.00 6.86 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.