NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3417 8.3449 118.8260 55.5146 30.3294 174.9280 2 K 3.9391 8.7051 118.4223 58.4329 32.8389 171.5858 3 V 4.8300 8.5699 119.4718 61.2697 34.4340 174.0784 4 T 4.5695 9.3556 124.6462 62.0345 70.8443 173.1413 5 Q 4.8803 8.6954 126.2575 54.2598 29.2088 176.2608 6 T 4.1334 8.7280 121.7213 66.0037 68.8847 174.9978 7 Q 4.5487 7.3178 120.2522 54.9685 30.3136 175.7867 8 T 4.3178 8.6422 119.9840 66.2902 69.4262 174.5598 9 S 5.2353 7.8398 112.3388 56.9359 66.6500 173.0271 10 I 4.6944 8.9424 121.0557 59.5872 41.0969 174.2811 11 S 5.1319 8.7448 120.4898 56.7100 64.6343 173.1904 12 V 4.6203 8.8978 119.3689 60.0920 36.6355 174.3041 13 M 4.7313 8.0140 120.6181 54.4686 33.1449 176.4079 14 E 4.0292 8.5383 121.6344 57.6343 30.7365 178.4508 15 K 3.9654 9.1965 121.4483 57.1900 31.4700 176.4355 16 T 4.3195 7.4885 116.0784 63.4367 70.7812 172.9893 17 T 4.9453 8.3160 117.8173 62.0583 71.5766 173.6603 18 V 4.5786 8.4361 126.1795 61.2969 34.5525 174.1736 19 T 4.8663 8.3650 122.7389 62.0274 70.9647 173.2547 20 M 4.6053 8.4520 126.2630 53.5156 34.0657 175.6950 21 D 5.0564 8.8428 123.5725 54.9340 42.3644 176.2839 22 C 5.1912 8.5755 118.4804 55.9002 43.2210 172.7010 23 V 5.2112 8.8833 125.1855 61.4216 34.8845 173.5616 24 Y 5.4244 8.1530 122.4186 55.6581 41.4390 174.0410 25 E 4.7891 9.2360 119.2869 55.1476 33.1218 175.3276 26 T 4.4636 8.3930 116.0418 61.4447 70.1002 172.7801 27 Q 4.5720 8.5135 123.8332 55.8992 29.4044 175.3349 28 D 4.6666 8.0324 119.6851 54.4629 41.6496 177.6449 29 S 4.2043 8.9723 119.7546 61.2443 63.1186 174.9202 30 S 4.6455 7.8666 114.2977 56.7340 65.3572 172.5604 30A Y 4.5084 7.6784 121.2918 55.8054 42.1295 173.4192 31 F 5.0388 8.5834 116.7076 55.6915 43.5527 173.8990 32 L 5.2382 8.1852 122.0702 52.9904 45.0514 175.6530 33 F 5.4767 9.8229 121.1299 55.6452 44.1155 173.5724 34 W 5.3824 9.0675 119.9535 55.3697 32.3601 174.4414 35 Y 5.4177 9.9247 121.3149 56.0856 42.1308 174.4927 36 K 4.9811 9.3220 119.9179 55.1420 36.5928 174.6482 37 Q 5.7919 9.2717 123.3075 53.8997 31.8778 175.1656 38 T 4.6920 8.4216 115.9837 60.0000 71.1561 175.2331 39 A 3.9177 8.8198 124.7236 55.5620 18.1499 178.7269 40 S 4.3713 8.0425 106.8189 58.4859 63.3484 174.9179 41 G 3.9305 8.8035 109.7589 45.4670 0.0000 173.4790 42 E 4.2686 7.6671 117.8852 55.8639 31.3600 176.0322 43 I 4.5505 8.3823 123.3374 60.0435 38.5847 174.6658 44 V 4.4662 8.9488 128.5850 60.9478 33.3030 174.8783 45 F 4.1015 9.0756 130.4525 58.5225 39.6238 173.8109 46 L 3.9818 6.8596 124.4450 55.1775 43.3712 176.5226 47 I 4.0536 5.7147 115.3772 60.2330 41.0500 172.5205 48 R 5.0709 8.6739 122.2025 54.5962 33.1938 173.9864 49 Q 4.2667 8.5081 120.8483 54.4790 31.9623 173.6867 50 D 4.6336 8.3576 126.4303 53.3971 41.9019 177.9734 51 S 3.8546 7.4409 117.8645 60.9346 63.0894 175.0097 52 Y 4.2834 6.5281 116.7374 57.4383 38.5093 175.2343 53 K 4.2399 6.9036 122.8135 56.2836 32.7666 176.9844 54 K 4.6366 8.4342 127.5007 55.4938 32.5904 176.2110 55 E 4.6371 7.8576 117.5813 54.4170 32.7853 173.5766 56 N 4.6253 8.9685 123.0701 53.6575 39.0623 174.7540 57 A 4.2310 9.2191 126.6087 53.0115 19.7780 175.9815 58 T 4.9587 8.1926 112.9465 61.2435 71.0175 173.5648 59 V 4.2951 9.4007 127.0349 62.8660 35.7261 173.1244 60 G 3.7396 8.4768 116.7951 47.4726 0.0000 174.3418 61 H 4.5076 8.4744 118.6443 55.8587 29.3763 174.2730 62 Y 4.9518 7.3771 120.1720 57.8842 39.1281 174.7111 63 S 5.0442 8.9888 117.4373 57.1106 66.8246 173.1064 64 L 4.9428 8.6744 122.2679 53.5894 43.7665 176.1554 65 N 4.8610 8.8636 120.9172 51.9682 40.5394 172.1315 66 F 5.3100 9.8559 128.8483 56.9961 40.6937 175.8823 67 Q 4.2613 9.0976 125.5889 53.4742 28.7283 175.9892 68 K 4.0369 7.2744 124.5327 58.9311 33.0362 176.6670 69 P 4.1887 0.0000 0.0000 65.3912 31.3288 177.4347 70 K 4.2206 8.0312 114.8816 55.7189 32.2642 176.7289 71 S 3.1334 7.9373 115.1125 59.5302 61.1353 171.5278 72 S 5.1903 7.7032 111.7705 56.9769 66.1805 172.9529 73 I 5.2885 8.8432 125.3650 60.2403 38.8933 174.3239 74 G 4.0506 9.1566 114.2305 45.4127 0.0000 169.2072 75 L 4.6235 8.2080 123.3038 52.8494 44.3729 175.0120 76 I 4.6640 8.7195 127.7437 59.7366 39.5216 174.5473 77 I 4.7856 8.4475 128.2236 59.8916 39.2321 174.7293 78 T 4.9266 8.4594 123.1473 61.8613 70.2598 174.3161 79 A 3.7685 8.5991 128.0668 52.8765 15.4841 176.0508 80 T 4.1221 8.9233 111.8497 60.9492 70.1125 175.1258 81 Q 4.8092 9.3717 126.5536 53.9073 31.6692 176.2421 82 I 3.7283 8.3402 122.1329 64.5193 37.1245 178.0499 83 E 4.2931 8.0777 114.5230 57.6890 29.4757 176.8133 84 D 4.7223 7.9843 119.0206 55.2102 41.1553 176.3494 85 S 4.6700 8.0702 116.0872 57.7627 63.3532 173.2390 86 A 4.4107 8.1786 126.1391 51.8606 22.8615 173.8834 87 V 4.5615 7.8065 116.1313 62.0250 33.6373 175.2197 88 Y 4.9921 9.2454 125.7899 56.3649 40.4123 174.4779 89 F 5.3958 9.7861 123.7711 55.9855 41.8392 173.7872 90 C 4.1987 8.6535 122.9200 54.6080 43.7845 172.1338 91 A 4.9837 8.9708 126.7707 50.6478 22.9349 174.1991 92 M 5.3071 8.4138 117.5804 53.8765 36.3599 174.3740 93 R 4.4877 8.3338 124.8048 55.9289 30.7793 176.9699 *95 G 3.6257 8.6859 111.6290 46.5769 0.0000 171.9785 96 D 4.7859 7.8458 121.8037 53.3686 39.8899 175.2026 97 Y 3.9058 9.0490 126.5436 56.4548 39.1490 175.3396 98 G 4.6160 8.6025 127.0700 46.2269 0.0000 171.1142 99 G 3.9791 6.8977 117.7420 46.7808 0.0000 176.1849 100 S 3.6735 7.0759 114.1010 60.3631 66.2781 174.1454 101 G 4.0411 7.9628 108.8077 43.7270 0.0000 174.8513 102 N 4.8727 8.8311 113.6911 51.3869 39.5694 175.1653 103 K 4.3273 7.5873 120.2977 55.1033 33.6533 175.6700 104 L 4.5495 8.3178 127.7886 53.8316 43.2069 176.3295 105 I 4.4677 8.5097 124.4127 59.6820 39.2981 174.7402 106 F 5.0187 8.8990 125.6147 55.7619 40.9582 176.0239 107 G 4.2033 8.7958 109.9589 45.5275 0.0000 174.4220 108 T 4.1499 8.6969 108.7716 62.2929 69.3035 175.9728 109 G 3.9500 7.9714 107.5632 46.0529 0.0000 172.8158 110 T 4.8600 8.2104 115.7816 61.3320 72.3433 173.1443 111 L 4.6608 9.0898 129.2043 54.5683 43.7513 175.0366 112 L 5.0976 9.3775 128.0982 53.3872 44.9769 174.6306 113 S 4.8027 9.4725 122.1239 56.6471 64.4010 172.6952 114 V 4.7583 8.5494 128.2612 61.2021 32.6621 175.0353 115 K 4.4549 9.2383 129.3881 54.8130 33.5579 175.8996 116 P 4.3977 0.0000 0.0000 63.0508 31.4881 176.0567 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 Q 8.34 4.34 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 2 K 8.71 3.94 0.00 1.79 1.91 0.00 1.62 0.00 0.00 1.99 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.45 7.81 3 V 8.57 4.83 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 0.82 0.00 0.00 0.91 0.00 0.00 4 T 9.36 4.57 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 1.24 0.00 0.00 5 Q 8.70 4.88 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.84 0.00 0.00 0.00 0.00 0.00 2.66 2.39 0.00 6 T 8.73 4.13 4.29 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 1.25 0.00 0.00 7 Q 7.32 4.55 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 8 T 8.64 4.32 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 1.23 0.00 0.00 9 S 7.84 5.24 0.00 3.83 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 10 I 8.94 4.69 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.11 0.88 0.00 0.00 11 S 8.74 5.13 0.00 3.84 3.71 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 12 V 8.90 4.62 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 0.65 0.00 0.00 0.91 0.00 0.00 13 M 8.01 4.73 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 14 E 8.54 4.03 0.00 2.07 1.82 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 2.30 2.45 0.00 15 K 9.20 3.97 0.00 1.90 1.94 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 16 T 7.49 4.32 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 1.19 0.00 0.00 17 T 8.32 4.95 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 1.22 0.00 0.00 18 V 8.44 4.58 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 0.98 0.00 0.00 0.83 0.00 0.00 19 T 8.37 4.87 4.20 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 1.18 0.00 0.00 20 M 8.45 4.61 0.00 1.92 1.62 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.35 0.00 21 D 8.84 5.06 0.00 2.66 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 22 C 8.58 5.19 0.00 3.18 3.33 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 23 V 8.88 5.21 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 0.68 0.00 0.00 0.93 0.00 0.00 24 Y 8.15 5.42 0.00 2.91 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 25 E 9.24 4.79 0.00 1.76 1.82 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 2.18 2.20 0.00 26 T 8.39 4.46 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 0.67 0.00 0.00 27 Q 8.51 4.57 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 28 D 8.03 4.67 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.97 4.20 0.00 3.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.87 4.65 0.00 3.85 3.71 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 30A Y 7.68 4.51 0.00 2.79 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 31 F 8.58 5.04 0.00 3.18 2.66 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 0.00 0.00 0.00 0.00 32 L 8.19 5.24 0.00 1.22 1.29 0.41 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.82 5.48 0.00 3.01 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 34 W 9.07 5.38 0.00 3.20 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 35 Y 9.92 5.42 0.00 3.21 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 36 K 9.32 4.98 0.00 0.82 1.35 0.00 1.02 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.18 7.81 37 Q 9.27 5.79 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 38 T 8.42 4.69 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 1.22 0.00 0.00 39 A 8.82 3.92 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 40 S 8.04 4.37 0.00 4.00 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 41 G 8.80 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 42 E 7.67 4.27 0.00 2.22 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 0.00 2.31 2.33 0.00 43 I 8.38 4.55 1.84 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.92 0.00 0.00 44 V 8.95 4.47 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 1.06 0.00 0.00 1.00 0.00 0.00 45 F 9.08 4.10 0.00 2.86 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 46 L 6.86 3.98 0.00 1.26 1.04 0.69 0.52 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 47 I 5.71 4.05 1.67 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 1.38 1.08 0.87 0.00 0.00 48 R 8.67 5.07 0.00 1.20 2.02 0.00 3.20 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 49 Q 8.51 4.27 0.00 1.89 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 50 D 8.36 4.63 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 51 S 7.44 3.85 0.00 3.13 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 52 Y 6.53 4.28 0.00 3.02 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 0.00 53 K 6.90 4.24 0.00 1.55 1.68 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.47 7.81 54 K 8.43 4.64 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.38 7.81 55 E 7.86 4.64 0.00 1.90 1.79 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 2.22 2.35 0.00 56 N 8.97 4.63 0.00 2.69 2.98 0.00 0.00 6.98 7.35 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 57 A 9.22 4.23 1.30 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 0.00 0.00 58 T 8.19 4.96 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 1.28 0.00 0.00 59 V 9.40 4.30 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 0.87 0.00 0.00 0.97 0.00 0.00 60 G 8.48 3.74 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 0.00 0.00 0.00 61 H 8.47 4.51 0.00 3.33 3.36 0.00 5.47 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.38 4.95 0.00 3.09 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 63 S 8.99 5.04 0.00 3.85 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 64 L 8.67 4.94 0.00 1.58 1.70 0.98 1.29 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 65 N 8.86 4.86 0.00 2.86 2.73 0.00 0.00 6.91 7.82 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 66 F 9.86 5.31 0.00 2.93 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 67 Q 9.10 4.26 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.36 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 68 K 7.27 4.04 0.00 1.38 1.67 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.76 7.81 69 P 0.00 4.19 0.00 2.03 2.06 0.00 3.66 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 1.96 2.04 0.00 70 K 8.03 4.22 0.00 1.83 1.80 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.37 7.81 71 S 7.94 3.13 0.00 3.68 3.35 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 72 S 7.70 5.19 0.00 3.87 3.67 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 73 I 8.84 5.29 2.20 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 1.26 1.03 1.15 0.00 0.00 74 G 9.16 4.05 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 0.00 0.00 0.00 75 L 8.21 4.62 0.00 0.27 0.13 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.72 4.66 1.89 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 0.57 0.84 0.00 0.00 77 I 8.45 4.79 1.71 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.48 0.77 0.00 0.00 78 T 8.46 4.93 4.20 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 1.17 0.00 0.00 79 A 8.60 3.77 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 80 T 8.92 4.12 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 1.19 0.00 0.00 81 Q 9.37 4.81 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 82 I 8.34 3.73 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.97 0.93 0.00 0.00 83 E 8.08 4.29 0.00 2.11 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 0.00 2.29 2.37 0.00 84 D 7.98 4.72 0.00 3.08 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 85 S 8.07 4.67 0.00 3.96 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 86 A 8.18 4.41 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 87 V 7.81 4.56 1.82 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 0.48 0.00 0.00 0.89 0.00 0.00 88 Y 9.25 4.99 0.00 2.99 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 89 F 9.79 5.40 0.00 3.33 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 90 C 8.65 4.20 0.00 1.23 2.45 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 91 A 8.97 4.98 0.33 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 92 M 8.41 5.31 0.00 1.98 1.69 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 2.40 2.48 0.00 93 R 8.33 4.49 0.00 2.18 2.11 0.00 3.42 0.00 0.00 2.99 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 *95 G 8.69 3.63 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 0.00 0.00 0.00 96 D 7.85 4.79 0.00 3.11 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 97 Y 9.05 3.91 0.00 3.00 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 98 G 8.60 4.62 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 0.00 0.00 0.00 99 G 6.90 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 0.00 100 S 7.08 3.67 0.00 3.96 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 0.00 101 G 7.96 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 0.00 102 N 8.83 4.87 0.00 2.63 2.70 0.00 0.00 6.70 7.61 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 0.00 103 K 7.59 4.33 0.00 1.80 1.86 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.44 7.81 104 L 8.32 4.55 0.00 1.49 1.34 0.48 0.41 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 0.00 105 I 8.51 4.47 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.07 0.91 0.00 0.00 106 F 8.90 5.02 0.00 2.74 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 0.00 107 G 8.80 4.20 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 0.00 108 T 8.70 4.15 4.33 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 1.28 0.00 0.00 109 G 7.97 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 0.00 0.00 0.00 110 T 8.21 4.86 4.40 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 1.30 0.00 0.00 111 L 9.09 4.66 0.00 1.75 1.55 1.02 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 112 L 9.38 5.10 0.00 1.72 1.70 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.47 4.80 0.00 3.90 3.71 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 0.00 114 V 8.55 4.76 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 0.95 0.00 0.00 115 K 9.24 4.45 0.00 1.90 1.71 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.43 7.81 116 P 0.00 4.40 0.00 2.18 2.03 0.00 3.80 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 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.