NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2913 8.2876 121.4622 56.3583 30.9857 176.5847 3 H 4.3622 8.2475 110.9517 55.0770 28.9909 173.3621 4 D 4.5338 8.3568 122.9314 53.9235 42.0217 177.4496 5 E 4.1928 8.6264 124.3762 56.5843 30.1742 176.3972 6 R 4.6496 8.0907 117.4047 55.1621 32.2605 174.5524 7 T 4.4172 8.1452 109.7078 60.6257 70.6843 173.3778 8 H 4.5766 8.4574 121.5506 55.1373 30.7259 174.8787 9 V 4.1403 7.7416 125.8873 59.9925 31.6596 172.9827 10 P 4.1245 0.0000 0.0000 62.4387 31.6825 176.4432 11 V 4.2679 8.1137 122.4995 61.0591 32.3485 174.8848 12 E 4.2656 8.8944 128.0701 58.4671 30.1780 177.4971 13 L 4.9826 8.2409 118.4285 52.8643 45.6559 176.2183 14 R 5.1875 8.5478 119.5817 54.4882 34.4057 174.0335 15 A 5.3210 9.1933 123.7799 50.2024 23.1013 174.7840 16 A 5.2244 9.1687 120.9886 50.6496 23.1242 175.8779 17 G 4.4055 9.3849 108.2699 45.3901 0.0000 171.5535 18 V 5.1067 8.3986 111.7776 59.6438 35.8916 176.6162 19 V 4.0540 8.8912 124.5055 61.5660 32.4700 173.9460 20 L 5.2241 8.1483 130.5331 52.8790 43.4349 174.7479 21 L 6.0232 8.8760 126.1826 52.4724 44.5447 176.5404 22 N 4.7724 8.3354 119.6697 51.4778 39.6605 175.2540 23 E 4.1911 8.6056 116.4416 59.2711 29.4891 178.0915 24 R 4.2634 8.1128 115.4562 55.8909 30.6986 177.0607 25 G 2.8224 7.5587 106.4648 44.7463 0.0000 173.5322 26 D 4.7142 8.1839 119.7234 54.0309 42.2797 175.0598 27 I 4.6066 8.4247 121.8811 59.1345 40.4732 174.1161 28 L 4.2311 8.2058 131.4016 54.3077 42.4096 175.7617 29 L 5.1307 8.9494 126.0041 52.9326 46.1031 175.4653 30 V 4.7611 9.1992 121.0674 61.2273 34.4419 173.9680 31 Q 4.1997 8.5012 128.7278 53.8829 31.0088 174.8885 32 E 4.7050 8.5724 125.5336 55.8721 31.1966 176.2708 33 K 4.1435 8.5634 123.8539 55.7047 31.6988 177.2019 34 G 3.9080 8.4372 116.2768 44.6490 0.0000 169.7057 35 I 4.1876 7.9994 115.2980 62.7007 39.1999 177.1729 *40 E 4.2702 7.9887 115.1546 55.2107 31.2384 175.3767 41 K 4.3730 7.7953 119.0062 55.5370 34.1869 176.1707 42 A 4.3079 8.3753 124.1147 51.2466 19.4725 177.3674 43 G 3.9430 8.2789 106.4501 45.7395 0.0000 173.4581 44 L 4.6919 8.5779 121.4372 53.9834 43.7460 175.7555 45 W 5.3472 9.1931 120.3770 55.7303 31.9320 175.1653 46 H 5.4610 9.1042 118.0827 54.2544 32.0629 172.5960 47 I 4.4036 8.4089 112.3536 59.8337 38.9694 173.9823 48 P 4.5964 0.0000 0.0000 63.1181 32.0068 175.4260 49 S 4.9674 9.0235 117.6488 58.1101 66.1367 173.6622 50 G 4.7586 8.7360 110.0231 46.0304 0.0000 172.0691 51 A 4.6446 8.5276 121.9730 51.9084 19.1017 177.3655 52 V 4.1672 8.5975 122.9776 61.4771 32.5135 176.0940 53 E 4.0848 9.8040 128.2832 55.9146 30.0251 176.0076 54 D 4.5321 8.4736 121.6196 56.0953 41.4557 176.5444 55 G 4.0285 9.0812 115.8204 45.1247 0.0000 173.1133 56 E 4.2662 7.6574 117.1052 55.0323 30.9834 176.5112 57 N 4.3342 8.5071 119.0152 53.3334 40.0529 174.0424 58 P 4.2357 0.0000 0.0000 65.6701 31.3949 178.4364 59 Q 2.5200 7.9016 117.8116 58.7375 28.9010 177.8927 60 D 4.1739 8.1424 119.6563 57.1637 40.8042 178.6113 61 A 3.8899 7.9175 121.1221 54.9680 18.3648 179.4895 62 A 4.0906 7.8131 119.2776 55.2907 18.5643 180.0814 63 V 3.4418 7.3270 116.5055 65.9678 31.5347 178.2073 64 R 3.8237 8.0622 118.5511 59.5692 29.9896 178.2557 65 E 3.9033 8.6369 118.4727 59.3419 29.4624 179.1673 66 A 3.9736 8.0261 120.7266 55.3629 18.3530 179.3130 67 C 4.5310 7.8407 117.9652 62.1939 31.4394 175.5398 68 E 3.9142 8.1377 119.2576 59.4713 29.3459 178.7852 69 E 4.1794 8.4534 118.5215 58.1247 29.8111 178.1402 70 T 4.4245 8.1745 107.9442 60.6525 70.0177 176.0335 71 G 3.8717 8.2834 109.7164 45.2703 0.0000 172.9739 72 L 4.6006 7.5548 120.1880 52.9956 43.4572 175.6263 73 R 4.6255 8.2738 121.3774 55.7490 31.1884 176.1012 74 V 4.9642 8.3923 116.2525 59.5530 35.8049 174.9717 75 R 4.7155 8.9882 122.1327 53.6017 32.4633 173.8264 76 P 4.6419 0.0000 0.0000 63.1817 31.4925 175.9692 77 V 4.2224 8.8893 124.3409 64.3418 33.1068 175.8861 78 K 4.6749 7.7301 118.1074 55.1967 35.4738 174.1454 79 F 3.8553 9.1484 129.5328 58.4086 39.4481 174.4359 80 L 4.2542 7.7908 126.0966 54.6257 43.1858 176.8394 81 G 3.9671 5.3800 104.5418 46.1754 0.0000 171.0739 82 A 5.3648 8.3729 120.4714 50.5199 22.3285 175.0722 83 Y 4.9755 8.5767 117.5536 55.3517 42.1889 173.5074 84 L 5.0524 8.7654 122.1495 53.4154 44.2671 175.5005 85 G 4.2568 8.8908 111.9102 44.3729 0.0000 171.2437 86 R 4.9976 8.0568 119.6142 54.2620 32.7725 175.1883 87 F 4.5033 9.1358 125.5328 56.2720 39.8496 174.6057 88 P 4.2632 0.0000 0.0000 65.9231 31.0806 177.4327 89 D 4.5329 8.1175 114.5331 53.8140 39.6301 176.9638 90 G 4.0036 8.3390 109.5298 45.0301 0.0000 174.2672 91 V 3.9466 8.2379 121.1677 63.1252 32.7228 174.8476 92 L 5.0685 9.2682 128.0276 53.6486 43.8966 175.3847 93 I 5.0223 8.6596 122.6948 59.1627 41.4462 173.4792 94 L 4.8525 8.8578 131.8005 53.5520 43.9664 174.9789 95 R 4.7689 8.2666 126.3424 55.2481 31.8763 175.2423 96 H 5.2760 9.2558 121.1399 53.9497 32.0032 173.5389 97 V 4.7224 7.9127 121.5101 60.8273 34.5995 174.1795 98 W 4.9818 8.8943 126.8982 54.5517 32.8862 174.4870 99 L 4.7916 9.2477 125.6725 54.9761 42.8028 175.5482 100 A 5.3182 9.1830 126.4934 50.4689 23.5193 174.3810 101 E 4.9797 8.9498 117.7523 53.8497 33.6566 174.0626 102 P 4.9482 0.0000 0.0000 62.4658 32.5885 175.9109 103 E 4.3763 8.8044 121.6469 55.4106 30.1104 175.4016 104 P 4.3015 0.0000 0.0000 63.6527 32.2318 175.7415 105 G 3.9344 8.5609 105.1304 47.4206 0.0000 173.3783 106 Q 4.7528 7.9163 115.1014 53.9668 32.4306 175.5432 107 T 4.5997 8.1178 116.3982 61.2668 70.7951 174.2284 108 L 4.0890 8.6087 128.1303 55.3887 42.6097 177.0587 109 A 4.6915 8.3454 127.7840 49.2666 18.9395 173.4686 110 P 4.2872 0.0000 0.0000 62.3736 32.7723 176.4396 111 A 4.1126 7.9984 125.1825 50.2241 18.9962 176.8451 112 F 4.6170 7.7712 120.5161 58.5377 39.6745 175.3199 113 T 4.7525 8.4663 116.1251 60.1303 71.5622 173.9081 114 D 4.6378 8.7447 119.4709 56.2630 41.0829 176.7942 115 E 4.5435 8.3043 118.0243 55.8372 31.8768 175.2981 116 I 4.8194 7.3991 118.6510 59.5321 39.3373 176.4143 117 A 4.2582 9.0544 130.3398 54.0944 19.7276 176.4333 118 E 5.2092 7.6087 110.8331 56.7194 32.5409 175.0563 119 A 5.3366 8.5050 119.8943 51.1220 22.3146 175.4588 120 S 4.5502 9.0377 113.6366 57.7328 66.9590 174.4752 121 F 4.8757 8.8370 119.5365 56.9576 39.8656 175.5742 122 V 4.5558 8.7930 123.1239 60.8074 34.6312 175.5255 123 S 5.1864 8.5583 120.9713 57.3088 64.3066 175.2195 124 R 4.0585 8.7581 120.1412 59.7027 29.5824 179.1620 125 E 4.0152 8.1444 117.6020 59.7024 29.4953 179.0979 126 D 4.4091 8.1732 118.6931 56.9597 40.7619 178.6021 127 F 3.9716 8.7702 121.7663 61.1731 39.4451 176.9352 128 A 4.1354 8.3485 120.4406 55.3408 18.1572 179.7128 129 Q 3.9434 7.8475 116.4356 59.0580 28.7297 178.8053 130 L 3.9006 8.0415 120.3235 57.8281 41.5798 179.0083 131 Y 3.7651 8.0307 119.4683 60.6986 38.5753 177.9782 132 A 3.9385 7.9692 119.9164 54.7971 18.5385 178.5543 133 A 4.2532 7.8084 116.7058 51.7884 18.8146 177.5389 134 G 3.6772 7.7319 105.3277 46.8748 0.0000 174.6057 135 Q 4.5212 8.2581 117.2972 55.4790 30.3009 175.2988 136 I 4.6791 7.4932 120.9969 59.9627 37.6195 175.1943 137 R 4.1384 8.9372 129.0471 59.3187 30.3605 176.4483 138 M 4.6624 8.0156 118.9333 53.2431 33.9389 176.4693 139 Y 4.5281 8.4967 123.0955 60.0163 37.9992 178.2767 140 Q 3.8218 7.3704 119.5758 58.8295 28.5280 178.5078 141 T 4.0697 8.1384 117.4033 66.6055 68.4260 176.3815 142 K 4.1149 8.4260 121.5497 59.4270 32.2031 178.8698 143 L 3.8314 7.8181 118.7943 57.9535 41.5236 179.4451 144 F 4.6061 8.2602 119.1720 59.8369 38.7135 177.3149 145 Y 4.2146 8.4173 119.5000 60.6627 38.5587 177.8045 146 A 3.7866 8.1951 121.9216 55.1317 17.9992 179.3287 147 D 4.2507 8.0925 117.1367 57.4849 40.9314 178.8386 148 A 4.1072 8.4500 121.5688 55.2261 18.3248 179.6085 149 L 4.1599 8.2942 117.7430 58.0875 41.8144 180.0111 150 R 3.9165 7.9740 117.8636 59.3551 29.8114 178.8857 151 E 4.0086 8.1178 117.0393 59.2635 29.6307 178.9157 152 K 4.2757 8.1955 115.2973 55.9978 32.4267 177.5533 153 G 3.7207 7.5777 107.0359 46.1767 0.0000 173.9881 154 F 4.6918 8.0321 118.1648 55.1980 40.1598 174.1413 155 P 4.3748 0.0000 0.0000 62.3414 31.6891 176.7242 156 A 4.1762 8.1755 123.8656 51.3786 19.1321 177.5948 157 L 3.9146 8.0376 119.4135 54.0334 42.0690 174.4723 158 P 4.2452 0.0000 0.0000 62.9865 30.9261 176.7112 159 V 3.8766 8.1042 120.9799 61.9150 30.6501 171.2785 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 E 8.29 4.29 0.00 2.06 1.97 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 2.28 2.38 0.00 3 H 8.25 4.36 0.00 3.35 3.38 0.00 5.60 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.36 4.53 0.00 2.76 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 5 E 8.63 4.19 0.00 1.96 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 2.32 2.30 0.00 6 R 8.09 4.65 0.00 1.88 1.86 0.00 3.20 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 7 T 8.15 4.42 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 1.22 0.00 0.00 8 H 8.46 4.58 0.00 3.08 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.74 4.14 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 0.88 0.00 0.00 0.92 0.00 0.00 10 P 0.00 4.12 0.00 2.08 2.00 0.00 3.66 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 2.05 2.12 0.00 11 V 8.11 4.27 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 0.88 0.00 0.00 0.92 0.00 0.00 12 E 8.89 4.27 0.00 1.92 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 2.34 2.43 0.00 13 L 8.24 4.98 0.00 1.69 1.59 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.55 5.19 0.00 1.74 1.83 0.00 3.11 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 15 A 9.19 5.32 1.20 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 16 A 9.17 5.22 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 17 G 9.38 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.40 5.11 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 0.75 0.00 0.00 0.94 0.00 0.00 19 V 8.89 4.05 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 1.01 0.00 0.00 0.96 0.00 0.00 20 L 8.15 5.22 0.00 1.74 1.51 1.20 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.88 6.02 0.00 1.67 1.57 1.12 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.34 4.77 0.00 2.60 2.27 0.00 0.00 6.21 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 23 E 8.61 4.19 0.00 1.98 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 0.00 2.31 2.29 0.00 24 R 8.11 4.26 0.00 1.95 1.88 0.00 3.19 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 25 G 7.56 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 0.00 0.00 0.00 26 D 8.18 4.71 0.00 2.70 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 27 I 8.42 4.61 0.56 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.36 0.42 0.00 0.00 28 L 8.21 4.23 0.00 0.91 1.30 0.31 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.95 5.13 0.00 1.70 1.87 1.01 0.62 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 30 V 9.20 4.76 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 0.95 0.00 0.00 0.92 0.00 0.00 31 Q 8.50 4.20 0.00 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 1.66 1.21 0.00 32 E 8.57 4.71 0.00 1.85 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 2.36 2.25 0.00 33 K 8.56 4.14 0.00 1.73 1.85 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.39 7.81 34 G 8.44 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 0.00 0.00 0.00 35 I 8.00 4.19 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 0.91 0.00 0.00 *40 E 7.99 4.27 0.00 2.08 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 2.17 2.37 0.00 41 K 7.80 4.37 0.00 1.86 1.85 0.00 1.45 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.48 7.81 42 A 8.38 4.31 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 43 G 8.28 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.58 4.69 0.00 1.81 1.81 0.96 1.00 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 45 W 9.19 5.35 0.00 3.27 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 46 H 9.10 5.46 0.00 3.28 3.48 0.00 5.45 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.41 4.40 2.14 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.97 0.00 0.00 48 P 0.00 4.60 0.00 2.09 2.01 0.00 3.85 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 2.06 2.05 0.00 49 S 9.02 4.97 0.00 3.89 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 50 G 8.74 4.76 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 0.00 0.00 0.00 51 A 8.53 4.64 1.23 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 0.00 0.00 0.00 52 V 8.60 4.17 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 0.77 0.00 0.00 0.97 0.00 0.00 53 E 9.80 4.08 0.00 1.98 1.85 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 2.53 2.38 0.00 54 D 8.47 4.53 0.00 2.62 2.59 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 55 G 9.08 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 0.00 0.00 0.00 56 E 7.66 4.27 0.00 2.07 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 2.43 2.22 0.00 57 N 8.51 4.33 0.00 2.74 2.83 0.00 0.00 7.03 7.71 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 58 P 0.00 4.24 0.00 2.42 2.02 0.00 3.68 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 2.13 2.13 0.00 59 Q 7.90 2.52 0.00 1.75 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 60 D 8.14 4.17 0.00 2.80 2.61 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 0.00 0.00 0.00 0.00 61 A 7.92 3.89 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 62 A 7.81 4.09 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 63 V 7.33 3.44 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 0.95 0.00 0.00 0.82 0.00 0.00 64 R 8.06 3.82 0.00 1.85 2.00 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 65 E 8.64 3.90 0.00 2.03 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 2.42 2.46 0.00 66 A 8.03 3.97 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 67 C 7.84 4.53 0.00 3.06 3.05 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 0.00 0.00 0.00 68 E 8.14 3.91 0.00 2.09 1.97 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 2.32 2.44 0.00 69 E 8.45 4.18 0.00 1.99 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 2.29 2.49 0.00 70 T 8.17 4.42 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 1.14 0.00 0.00 71 G 8.28 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 72 L 7.55 4.60 0.00 1.75 1.61 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.27 4.63 0.00 1.84 1.88 0.00 3.21 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 74 V 8.39 4.96 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 0.74 0.00 0.00 0.91 0.00 0.00 75 R 8.99 4.72 0.00 1.70 1.82 0.00 3.13 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 76 P 0.00 4.64 0.00 1.93 1.79 0.00 3.69 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 1.92 1.79 0.00 77 V 8.89 4.22 2.29 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 0.81 0.00 0.00 1.10 0.00 0.00 78 K 7.73 4.67 0.00 1.93 1.66 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.50 7.81 79 F 9.15 3.86 0.00 2.91 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 L 7.79 4.25 0.00 1.20 1.77 0.95 0.80 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 81 G 5.38 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 82 A 8.37 5.36 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 83 Y 8.58 4.98 0.00 3.08 3.03 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 84 L 8.77 5.05 0.00 1.64 1.60 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.89 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 0.00 0.00 0.00 86 R 8.06 5.00 0.00 1.73 1.73 0.00 3.25 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 87 F 9.14 4.50 0.00 3.28 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 88 P 0.00 4.26 0.00 2.10 2.18 0.00 3.89 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 89 D 8.12 4.53 0.00 2.79 2.80 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 90 G 8.34 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.24 3.95 2.40 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 1.22 0.00 0.00 1.09 0.00 0.00 92 L 9.27 5.07 0.00 1.76 1.55 0.95 0.87 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 93 I 8.66 5.02 2.07 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.68 0.65 0.00 0.00 94 L 8.86 4.85 0.00 1.76 1.51 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.27 4.77 0.00 0.67 1.42 0.00 3.02 0.00 0.00 2.75 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.00 96 H 9.26 5.28 0.00 3.29 3.07 0.00 5.56 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 97 V 7.91 4.72 0.73 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 0.59 0.00 0.00 0.46 0.00 0.00 98 W 8.89 4.98 0.00 3.39 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 99 L 9.25 4.79 0.00 1.79 1.77 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 100 A 9.18 5.32 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 0.00 101 E 8.95 4.98 0.00 1.94 1.85 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 2.29 2.29 0.00 102 P 0.00 4.95 0.00 2.15 2.18 0.00 3.84 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 2.03 2.10 0.00 103 E 8.80 4.38 0.00 2.06 1.93 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 2.35 2.37 0.00 104 P 0.00 4.30 0.00 2.18 2.06 0.00 3.93 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 105 G 8.56 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 0.00 106 Q 7.92 4.75 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 107 T 8.12 4.60 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 1.25 0.00 0.00 108 L 8.61 4.09 0.00 1.72 1.68 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.35 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.29 0.00 1.51 1.87 0.00 3.59 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 111 A 8.00 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.77 4.62 0.00 3.09 2.94 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 0.00 0.00 0.00 113 T 8.47 4.75 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 1.27 0.00 0.00 114 D 8.74 4.64 0.00 2.67 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 0.00 115 E 8.30 4.54 0.00 1.98 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 2.21 2.37 0.00 116 I 7.40 4.82 2.03 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 1.16 0.74 0.92 0.00 0.00 117 A 9.05 4.26 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 0.00 118 E 7.61 5.21 0.00 2.24 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 0.00 2.15 2.29 0.00 119 A 8.50 5.34 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 0.00 120 S 9.04 4.55 0.00 3.92 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 0.00 121 F 8.84 4.88 0.00 2.98 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 0.00 122 V 8.79 4.56 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 1.04 0.00 0.00 0.56 0.00 0.00 123 S 8.56 5.19 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.76 4.06 0.00 1.85 1.97 0.00 3.00 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.67 0.00 125 E 8.14 4.02 0.00 2.07 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 2.41 2.47 0.00 126 D 8.17 4.41 0.00 2.73 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 0.00 127 F 8.77 3.97 0.00 3.37 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.35 4.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Q 7.85 3.94 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 130 L 8.04 3.90 0.00 1.50 1.51 0.39 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 8.03 3.77 0.00 2.69 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 0.00 132 A 7.97 3.94 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 0.00 133 A 7.81 4.25 1.36 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 0.00 0.00 134 G 7.73 3.68 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 0.00 0.00 0.00 135 Q 8.26 4.52 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.70 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 136 I 7.49 4.68 2.03 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 1.11 0.58 1.25 0.00 0.00 137 R 8.94 4.14 0.00 1.90 2.11 0.00 3.31 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 138 M 8.02 4.66 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 139 Y 8.50 4.53 0.00 3.50 3.40 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 0.00 140 Q 7.37 3.82 0.00 1.80 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.93 0.00 0.00 0.00 0.00 0.00 1.16 1.77 0.00 141 T 8.14 4.07 4.63 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 1.49 0.00 0.00 142 K 8.43 4.11 0.00 1.81 1.82 0.00 0.61 0.00 0.00 0.62 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.47 7.81 143 L 7.82 3.83 0.00 1.44 1.32 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.26 4.61 0.00 3.09 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 0.00 145 Y 8.42 4.21 0.00 2.81 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 0.00 146 A 8.20 3.79 1.29 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 0.00 0.00 147 D 8.09 4.25 0.00 3.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.45 4.11 1.53 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 0.00 149 L 8.29 4.16 0.00 1.76 1.75 0.27 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 150 R 7.97 3.92 0.00 2.06 1.97 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 151 E 8.12 4.01 0.00 2.18 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 2.53 2.55 0.00 152 K 8.20 4.28 0.00 1.95 1.71 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.24 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.73 1.84 7.81 153 G 7.58 3.72 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 0.00 0.00 0.00 154 F 8.03 4.69 0.00 3.05 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 0.00 155 P 0.00 4.37 0.00 2.06 2.00 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 156 A 8.18 4.18 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 0.00 157 L 8.04 3.91 0.00 1.53 1.57 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.25 0.00 2.05 2.10 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 159 V 8.10 3.88 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 0.65 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.