NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7938 8.3549 109.7369 45.3057 0.0000 175.5452 *2 Q 4.0385 8.5574 123.2194 55.6119 29.5317 174.0465 3 T 4.8266 8.2201 111.1839 59.9713 72.1133 173.1482 4 I 4.5127 8.0849 122.2298 59.0598 40.4666 175.2764 5 N 4.7027 8.7747 123.5707 53.4282 39.1880 175.9697 6 A 3.9403 9.0389 125.0399 55.6431 18.3453 180.4453 7 T 3.8160 7.8623 113.7230 66.8662 68.3605 176.1744 8 E 3.9888 8.0739 119.4282 59.2041 30.1111 178.5071 9 I 3.8498 7.5014 119.4374 64.4787 37.0162 178.1767 10 R 4.0902 8.1506 118.3835 59.7613 29.9792 177.7103 11 N 4.7431 8.3976 113.7762 54.4308 39.3979 174.7842 12 N 5.2536 8.3264 118.5332 51.8287 40.2921 176.5240 13 F 4.3489 8.8477 121.6416 61.7216 39.7882 175.4184 14 S 4.0772 8.3386 112.1891 61.4827 62.1315 175.1483 15 Y 4.0393 8.0340 121.6183 61.1636 38.4577 177.7775 16 Y 3.7735 7.9488 117.4189 60.6982 37.8130 178.3291 17 I 3.5082 7.6548 120.9081 64.4635 37.2525 177.8197 18 D 4.3021 7.8918 119.4566 57.9725 40.6152 179.3969 19 T 3.6783 7.6512 116.1303 66.5526 68.1414 177.0374 20 V 4.1768 7.7671 120.8577 65.2642 31.6128 178.0152 21 V 3.6984 7.8052 117.4193 65.8690 31.5075 177.5165 22 R 4.3631 7.7860 115.5788 55.1439 30.9229 176.6686 23 D 4.7506 8.9034 112.7075 54.1600 41.0264 177.4075 24 K 4.6623 8.8966 113.4246 54.0440 35.5781 174.3785 25 P 4.8283 0.0000 0.0000 62.6625 32.1329 175.6740 26 I 4.6039 8.2075 114.4981 59.0198 41.4141 173.7666 27 A 4.8780 8.2189 124.8077 50.1168 21.6232 175.4164 28 V 4.4907 8.5037 122.6257 60.6814 34.6135 174.0023 29 K 4.8253 8.8346 129.2687 54.6777 34.5845 174.6356 30 R 4.5921 9.2331 128.5916 53.9484 32.0088 176.5497 31 N 4.2233 9.0217 129.5344 55.2140 37.8785 178.8979 32 R 4.1642 8.8160 126.5675 58.6562 29.8448 176.2084 33 D 4.7218 8.3419 117.6632 54.1898 41.7921 175.2001 34 V 4.8048 8.2331 122.9116 61.1398 33.5834 174.5743 35 L 4.9792 8.8456 127.2491 52.9099 45.3467 175.2087 36 L 5.0436 8.5401 119.9968 52.9916 44.9207 175.8627 37 F 5.1729 8.8329 122.3317 55.8155 41.6445 174.5933 38 F 5.3180 8.7981 121.1855 55.1937 42.6341 175.0314 39 S 4.2700 8.8453 116.2327 58.2365 63.7288 174.6464 40 E 3.8977 9.0678 122.9201 59.9602 29.0938 179.2293 41 Q 3.9272 8.0305 118.6854 59.1628 29.1222 178.0047 42 I 3.7065 7.6154 120.6947 64.4562 37.1830 178.5031 43 I 3.4533 7.3830 119.9753 64.1069 36.6809 178.3625 44 K 3.7667 7.8395 118.2395 59.7829 32.2486 178.5849 45 D 4.4498 8.3247 119.1297 57.4127 40.5393 178.7417 46 L 3.9593 7.8661 119.5497 57.3702 42.3446 177.9737 47 L 4.3444 7.2621 116.5606 54.1853 41.5252 177.7722 48 Q 3.8022 7.5219 122.2264 59.1945 28.9084 177.2775 49 D 4.6086 7.7556 113.5943 53.8628 41.2176 175.7878 50 L 4.1488 7.5214 122.8516 54.5229 42.1053 175.9637 51 K 5.0817 8.5440 124.9119 54.7664 35.6391 175.4232 52 I 4.4312 8.7693 123.6284 60.3248 39.5338 174.4570 53 H 5.3153 8.8645 124.0105 54.3636 30.5503 173.4392 54 A 5.0202 9.1176 126.7892 50.5602 21.0729 175.2957 55 E 4.9900 9.1860 122.4545 54.7415 31.6935 174.9812 56 L 5.1494 8.7402 125.0583 52.9081 44.2044 175.8742 57 S 4.7072 9.0214 118.3445 56.2159 65.2578 172.2803 58 K 5.0792 8.7320 128.0150 54.5945 34.4672 174.8016 59 E 4.5416 8.8156 127.4135 55.7567 32.7376 174.6963 60 D 4.2406 9.7429 125.6891 55.5882 38.3052 175.0303 61 G 3.9762 8.4359 105.9913 45.4450 0.0000 173.6909 62 I 4.5953 7.4880 121.1846 59.6093 39.6934 174.5850 63 I 4.9281 9.1031 127.9243 59.6518 39.7312 174.5307 64 I 4.6657 8.9248 128.8757 59.9601 38.9539 174.9898 65 G 4.5526 8.9513 114.6138 44.6866 0.0000 172.2186 66 T 5.3665 8.8190 112.1584 58.9380 72.7576 172.3891 67 I 4.8953 8.1884 124.2348 59.9516 40.5618 175.5740 68 D 4.4903 8.5692 127.1376 57.8389 38.9742 174.2811 69 G 4.0278 8.9871 111.7570 44.7069 0.0000 172.6044 70 F 4.3542 8.0781 116.2407 55.9613 41.0128 175.8739 71 D 4.5206 8.2720 117.7907 54.7652 39.1138 172.7303 72 L 4.5444 7.2373 118.1009 53.3253 42.8133 176.0445 73 V 4.8823 7.9226 120.8849 60.4885 34.4792 174.4671 74 V 4.6289 8.6495 115.2864 59.9533 36.4823 173.9536 75 S 5.0652 8.1829 115.9716 56.9743 65.6243 172.9658 76 G 4.0452 8.4594 110.5926 46.8100 0.0000 173.2984 77 E 4.7246 9.7352 118.5534 56.4465 30.7459 176.6582 78 S 4.7084 7.4532 113.1040 55.4472 67.6997 174.0946 79 E 3.9044 8.6830 121.9734 59.7357 29.3620 178.8790 80 Q 3.9819 7.9329 117.5273 58.6882 29.0029 177.9489 81 E 3.9035 8.2139 120.5543 59.0965 29.5885 178.9746 82 V 3.5550 7.6859 118.1765 66.1598 31.5399 178.0807 83 I 3.6217 7.7773 119.4525 64.2343 36.8034 178.1278 84 Q 3.8712 7.8866 120.1047 59.2905 28.8621 178.7249 85 K 3.9598 7.9157 119.0929 59.2374 32.0589 179.3722 86 L 3.9092 8.2550 119.5388 57.7501 41.5642 179.4979 87 A 3.8945 8.1070 120.7392 54.9963 18.3167 179.4310 88 E 3.8844 8.3149 117.2945 59.9011 29.5262 179.5001 89 D 4.4269 8.4763 119.0931 57.1435 40.7255 178.9384 90 L 4.0172 8.3748 120.1344 57.6362 41.6569 179.2411 91 L 3.9271 7.9784 120.2488 58.0246 42.0625 178.4171 92 E 4.0844 8.2227 119.2570 59.7299 29.5194 178.2222 93 Y 4.3153 8.4471 119.4700 60.6592 38.5789 177.8915 94 A 3.7323 8.1277 121.3666 55.1886 18.5637 179.3481 95 Q 4.0912 7.9312 115.4683 59.1789 28.5456 178.3368 96 D 4.5070 8.1107 119.9723 57.3196 40.6462 178.2408 97 Y 2.7419 7.4219 115.7061 58.5412 38.1003 177.0398 *99 N 4.7728 8.0354 116.1002 52.9207 41.1690 174.4286 100 D 4.8837 7.7531 116.2983 51.8557 41.8687 175.1059 101 F 4.5037 8.4996 129.7208 61.2007 39.8265 176.5082 102 K 3.9899 8.3330 121.7318 60.2744 31.6021 179.7501 103 L 4.1007 7.7377 120.3822 58.0028 42.0617 179.0810 104 F 3.7317 8.4435 117.1754 60.6392 38.7451 177.2676 105 Y 4.2920 7.5790 119.2058 59.4930 38.4855 176.8906 106 N 4.5692 7.3398 112.7981 52.0817 39.7741 175.2703 107 A 4.0282 7.0355 124.5842 50.7969 19.1454 175.3471 108 P 4.2133 0.0000 0.0000 64.5559 31.6372 176.2404 109 N 4.2299 8.8506 118.1869 54.3385 36.1733 175.3981 110 R 4.1511 7.7216 116.9614 55.7863 31.1018 177.9091 111 K 3.4687 7.7447 120.5145 59.5712 32.0252 178.1561 112 T 4.1705 7.7077 106.8243 64.0702 68.9752 175.2444 113 H 4.6696 8.2398 119.7971 58.6398 28.7042 176.6352 114 Y 4.0860 8.2742 121.9515 60.3690 38.6156 176.4594 115 P 3.9235 0.0000 0.0000 65.5564 31.3947 178.2312 116 Y 4.0041 7.7829 115.4418 60.9615 37.9568 178.2945 117 I 3.7506 7.8240 114.1458 63.5517 37.7003 177.9880 118 L 3.7171 7.6892 122.5701 57.7920 41.9658 178.8891 119 K 3.7752 7.8731 119.4663 59.4124 31.8580 178.9102 120 V 4.1704 7.5469 118.6803 65.6656 31.5699 177.6953 121 L 4.1319 7.7489 117.4934 57.7565 41.5318 179.1618 122 L 4.1527 7.8606 117.4861 56.0149 42.0003 177.9410 123 S 4.3595 7.1340 114.5032 58.8150 63.2914 174.6130 124 S 4.4104 9.0120 119.5643 60.5461 63.2877 174.4153 125 N 4.7658 7.4882 116.2619 50.8749 40.7121 175.2705 126 I 3.6896 8.1501 121.3734 64.4716 36.8722 178.4195 127 D 4.2919 7.9974 118.7648 57.2727 40.9443 178.1256 128 E 4.0824 8.6417 119.3172 59.2460 29.5817 179.3998 129 V 2.6468 7.4111 117.8735 65.7911 31.5443 178.3027 130 K 3.8512 8.1966 118.4218 59.1110 31.5480 179.4446 131 G 3.7302 7.4360 105.1758 46.7751 0.0000 173.5101 132 Y 4.9800 7.2184 118.0187 56.6738 39.5014 175.0026 133 I 4.7589 7.2686 121.1504 60.6529 38.7340 174.6923 134 Y 4.5535 9.1279 125.4348 56.0183 40.4658 174.6150 135 A 5.2120 8.8435 128.4618 50.4458 20.9137 176.0732 136 E 4.5155 8.9350 121.2986 55.9535 34.0571 174.7832 *138 V 3.8344 8.5108 118.8628 64.7967 31.7553 174.9405 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 0 G 8.35 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 0.00 0.00 0.00 *2 Q 8.56 4.04 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 3 T 8.22 4.83 4.14 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 0.00 0.00 0.00 1.14 0.00 0.00 4 I 8.08 4.51 1.54 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.66 0.00 0.00 5 N 8.77 4.70 0.00 2.61 2.71 0.00 0.00 7.02 7.75 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 6 A 9.04 3.94 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 7 T 7.86 3.82 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 1.23 0.00 0.00 8 E 8.07 3.99 0.00 1.96 2.15 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 2.34 2.53 0.00 9 I 7.50 3.85 2.03 0.00 0.00 -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 1.33 0.79 1.09 0.00 0.00 10 R 8.15 4.09 0.00 1.92 2.17 0.00 3.24 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 11 N 8.40 4.74 0.00 2.86 2.91 0.00 0.00 6.83 8.17 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 12 N 8.33 5.25 0.00 3.26 2.83 0.00 0.00 6.48 7.52 0.00 0.00 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 F 8.85 4.35 0.00 3.36 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 14 S 8.34 4.08 0.00 4.04 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 15 Y 8.03 4.04 0.00 2.96 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 16 Y 7.95 3.77 0.00 3.06 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 17 I 7.65 3.51 1.82 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.08 0.80 0.00 0.00 18 D 7.89 4.30 0.00 2.81 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 19 T 7.65 3.68 4.09 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 1.11 0.00 0.00 20 V 7.77 4.18 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 1.27 0.00 0.00 1.02 0.00 0.00 21 V 7.81 3.70 2.20 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 0.87 0.00 0.00 0.91 0.00 0.00 22 R 7.79 4.36 0.00 1.95 1.93 0.00 3.13 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 23 D 8.90 4.75 0.00 2.50 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 24 K 8.90 4.66 0.00 1.95 1.88 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.40 7.81 25 P 0.00 4.83 0.00 1.77 1.50 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 26 I 8.21 4.60 1.65 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 1.07 0.85 0.92 0.00 0.00 27 A 8.22 4.88 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 28 V 8.50 4.49 1.55 0.00 0.00 0.00 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 -0.16 0.00 0.00 29 K 8.83 4.83 0.00 1.76 1.56 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.31 7.81 30 R 9.23 4.59 0.00 1.79 1.76 0.00 3.45 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 31 N 9.02 4.22 0.00 2.87 1.86 0.00 0.00 7.07 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 32 R 8.82 4.16 0.00 1.83 1.84 0.00 3.26 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 33 D 8.34 4.72 0.00 2.77 2.60 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 0.00 0.00 0.00 34 V 8.23 4.80 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 0.76 0.00 0.00 0.90 0.00 0.00 35 L 8.85 4.98 0.00 1.59 1.67 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.54 5.04 0.00 1.66 1.21 1.10 0.69 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 37 F 8.83 5.17 0.00 2.71 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 38 F 8.80 5.32 0.00 2.81 2.88 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 39 S 8.85 4.27 0.00 4.02 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 0.00 40 E 9.07 3.90 0.00 2.05 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 2.37 2.37 0.00 41 Q 8.03 3.93 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 42 I 7.62 3.71 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.76 1.03 0.00 0.00 43 I 7.38 3.45 1.87 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.02 0.74 0.00 0.00 44 K 7.84 3.77 0.00 1.83 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.63 7.81 45 D 8.32 4.45 0.00 2.82 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 46 L 7.87 3.96 0.00 1.64 1.72 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.26 4.34 0.00 1.53 1.40 0.74 0.62 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 48 Q 7.52 3.80 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 49 D 7.76 4.61 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.52 4.15 0.00 1.41 1.47 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.54 5.08 0.00 1.65 1.81 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.54 1.69 7.81 52 I 8.77 4.43 1.93 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 1.11 1.07 0.75 0.00 0.00 53 H 8.86 5.32 0.00 3.12 3.28 0.00 5.60 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 54 A 9.12 5.02 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 55 E 9.19 4.99 0.00 1.91 1.88 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 2.27 2.29 0.00 56 L 8.74 5.15 0.00 1.61 1.56 0.91 1.09 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 57 S 9.02 4.71 0.00 3.85 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 58 K 8.73 5.08 0.00 1.76 1.65 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.38 7.81 59 E 8.82 4.54 0.00 1.98 1.70 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 2.19 2.26 0.00 60 D 9.74 4.24 0.00 2.83 2.72 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 61 G 8.44 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 62 I 7.49 4.60 1.99 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 1.22 1.13 0.90 0.00 0.00 63 I 9.10 4.93 1.95 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 1.22 0.68 0.90 0.00 0.00 64 I 8.92 4.67 1.87 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 1.16 0.90 0.90 0.00 0.00 65 G 8.95 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.82 5.37 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 1.21 0.00 0.00 67 I 8.19 4.90 1.81 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 1.11 1.09 0.75 0.00 0.00 68 D 8.57 4.49 0.00 2.50 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 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 70 F 8.08 4.35 0.00 2.96 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 71 D 8.27 4.52 0.00 2.77 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 72 L 7.24 4.54 0.00 1.87 1.51 0.80 0.66 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 73 V 7.92 4.88 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 0.70 0.00 0.00 0.97 0.00 0.00 74 V 8.65 4.63 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 0.66 0.00 0.00 0.95 0.00 0.00 75 S 8.18 5.07 0.00 3.82 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 76 G 8.46 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 77 E 9.74 4.72 0.00 1.91 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 2.25 2.21 0.00 78 S 7.45 4.71 0.00 4.08 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 79 E 8.68 3.90 0.00 2.04 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 2.35 2.39 0.00 80 Q 7.93 3.98 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 81 E 8.21 3.90 0.00 2.03 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 2.28 2.29 0.00 82 V 7.69 3.56 2.20 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 1.03 0.00 0.00 0.98 0.00 0.00 83 I 7.78 3.62 1.79 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 1.32 0.45 0.77 0.00 0.00 84 Q 7.89 3.87 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 85 K 7.92 3.96 0.00 1.85 1.81 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.67 7.81 86 L 8.26 3.91 0.00 1.79 1.62 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.11 3.89 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 88 E 8.31 3.88 0.00 2.14 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 2.30 2.46 0.00 89 D 8.48 4.43 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 90 L 8.37 4.02 0.00 1.82 1.67 0.74 0.06 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 91 L 7.98 3.93 0.00 1.82 1.80 0.92 0.66 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 92 E 8.22 4.08 0.00 2.12 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 0.00 2.37 2.37 0.00 93 Y 8.45 4.32 0.00 3.09 3.21 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 94 A 8.13 3.73 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 95 Q 7.93 4.09 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 96 D 8.11 4.51 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 2.74 0.00 2.35 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 *99 N 8.04 4.77 0.00 2.94 2.97 0.00 0.00 6.75 8.06 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 0.00 100 D 7.75 4.88 0.00 2.82 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 0.00 101 F 8.50 4.50 0.00 3.24 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 0.00 102 K 8.33 3.99 0.00 1.89 1.73 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.09 7.81 103 L 7.74 4.10 0.00 1.87 1.73 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.44 3.73 0.00 2.51 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.58 4.29 0.00 1.43 2.30 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 0.00 106 N 7.34 4.57 0.00 2.87 2.80 0.00 0.00 7.00 7.23 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 0.00 107 A 7.04 4.03 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 0.00 108 P 0.00 4.21 0.00 1.99 2.00 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 109 N 8.85 4.23 0.00 2.81 2.87 0.00 0.00 7.00 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 0.00 110 R 7.72 4.15 0.00 2.04 2.13 0.00 3.43 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 111 K 7.74 3.47 0.00 1.47 1.61 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.13 0.21 7.81 112 T 7.71 4.17 4.34 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 1.22 0.00 0.00 113 H 8.24 4.67 0.00 3.61 3.56 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 8.27 4.09 0.00 3.42 3.36 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 0.00 115 P 0.00 3.92 0.00 1.80 1.85 0.00 3.90 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 116 Y 7.78 4.00 0.00 3.40 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 0.00 117 I 7.82 3.75 1.59 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 0.42 0.54 0.63 0.00 0.00 118 L 7.69 3.72 0.00 0.89 1.44 0.86 0.10 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 0.00 119 K 7.87 3.78 0.00 1.71 1.76 0.00 1.38 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.00 1.12 7.81 120 V 7.55 4.17 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 1.26 0.00 0.00 1.12 0.00 0.00 121 L 7.75 4.13 0.00 1.80 1.71 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.86 4.15 0.00 1.71 1.69 0.83 0.69 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 0.00 123 S 7.13 4.36 0.00 4.18 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 0.00 124 S 9.01 4.41 0.00 3.99 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 0.00 125 N 7.49 4.77 0.00 2.92 2.86 0.00 0.00 6.30 7.27 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 0.00 126 I 8.15 3.69 1.82 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 1.60 0.92 0.83 0.00 0.00 127 D 8.00 4.29 0.00 2.77 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 0.00 128 E 8.64 4.08 0.00 2.18 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 2.34 2.52 0.00 129 V 7.41 2.65 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 0.69 0.00 0.00 0.90 0.00 0.00 130 K 8.20 3.85 0.00 1.81 1.68 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.44 7.81 131 G 7.44 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 7.22 4.98 0.00 3.13 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 0.00 133 I 7.27 4.76 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.47 0.81 0.00 0.00 134 Y 9.13 4.55 0.00 2.85 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 0.00 135 A 8.84 5.21 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 0.00 136 E 8.94 4.52 0.00 1.62 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 2.12 2.09 0.00 *138 V 8.51 3.83 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 0.92 0.00 0.00 1.03 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.