NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.7339 0.0000 0.0000 62.8250 33.6141 175.2854 5 Y 5.3917 7.8702 116.9261 56.2024 41.9223 172.1259 6 I 4.3974 9.0449 122.9412 59.8615 39.9364 175.7618 7 L 4.7537 8.7946 129.8300 54.7501 43.3680 175.6608 8 V 4.6850 8.9804 127.8688 61.6901 32.4938 173.6432 9 L 5.3749 9.0987 131.4504 53.4894 44.5043 174.7297 10 Y 5.7608 8.0576 122.3358 57.4048 41.8935 172.3720 11 Y 4.8958 8.5033 119.4533 54.7897 41.9843 174.3458 12 S 4.3425 6.9275 120.4047 57.4898 65.2741 174.6050 13 R 4.0330 8.1736 126.8273 58.5107 29.4310 174.3189 14 H 4.5824 7.2160 116.3443 55.1166 29.3105 175.8006 15 G 4.6152 7.3548 109.8771 43.9837 0.0000 174.4783 16 A 3.9585 7.5963 124.5202 55.3310 18.3446 180.6613 17 T 4.0059 7.9218 113.5009 66.4307 68.6571 176.8369 18 A 3.2898 7.8510 122.6303 54.7253 18.5006 179.1593 19 E 3.7635 7.7609 116.9209 59.5778 29.7544 178.6831 20 M 3.8027 7.8160 118.4914 58.4071 32.0251 178.4520 21 A 3.5381 7.8465 120.7638 55.1066 18.4116 179.8455 22 R 3.7685 7.5177 115.7551 59.6368 30.1777 179.2814 23 Q 3.9294 7.8065 117.6016 59.0457 28.6582 179.1375 24 I 3.7286 7.5738 120.5405 64.1764 37.0460 178.2094 25 A 3.9933 8.0060 121.6150 55.1557 18.1538 179.5956 26 R 3.9451 8.1025 116.6941 59.4983 30.2182 179.1122 27 G 3.7229 7.9962 105.1354 48.0888 0.0000 175.3304 28 V 3.7774 8.2460 121.5643 65.8011 31.3744 177.9836 29 E 4.7879 8.2513 119.1470 59.3751 29.1997 179.3148 30 Q 4.1570 8.1189 116.6169 58.5696 28.7712 178.4628 31 G 4.0877 7.8454 104.5314 44.4365 0.0000 174.1726 32 G 4.0013 8.6777 108.5040 45.1413 0.0000 173.2868 33 F 4.8653 8.2571 118.8236 55.6678 43.8905 174.4813 34 E 4.6428 8.9577 118.7095 56.3827 30.9068 176.4902 35 A 4.9070 8.6934 126.9883 49.9622 20.3580 176.7251 36 R 4.2382 9.1183 125.0701 55.2155 30.9083 175.2876 37 V 4.6012 8.2515 127.2036 62.1277 32.0965 175.1582 38 R 4.9159 9.2818 126.9303 54.8931 34.3994 174.8651 39 T 5.2852 8.3555 115.7402 59.4655 70.9199 172.6173 40 V 4.6516 8.0688 112.4004 58.8775 35.5824 174.1345 41 P 4.2179 0.0000 0.0000 61.7193 32.1124 176.1270 42 A 4.1530 8.4354 122.8878 52.7400 18.8864 177.2468 43 V 4.3488 7.7453 111.8162 59.7476 34.9833 175.1537 44 S 4.5356 7.9767 115.5173 57.9922 65.6631 173.7063 45 T 4.3295 8.2926 109.1591 62.7053 69.6984 175.4078 46 E 4.4726 7.8521 117.7042 56.0581 31.6051 174.8981 *58 G 3.6618 7.8403 107.7434 45.2361 0.0000 172.5328 59 A 4.2775 8.1950 121.7925 51.0937 19.5355 176.9667 60 L 4.0480 7.9480 121.0491 55.0453 43.6428 175.3165 61 Y 5.0787 8.0616 120.5769 57.4389 38.7469 175.4651 62 A 4.4397 9.1167 126.7071 52.0254 18.8328 177.0423 63 T 4.8447 9.2541 111.2133 59.4913 71.6700 175.3536 64 L 4.0183 8.8636 122.7576 58.6525 41.5606 179.9191 65 E 4.0361 8.2496 117.5574 59.3330 29.2236 178.6796 66 D 4.6665 8.0528 119.6869 56.8606 41.2623 178.8107 67 L 4.2486 7.7593 118.2130 57.7161 41.4949 179.3050 68 K 4.0595 8.2038 118.5491 58.8362 32.1507 177.4960 69 N 4.8865 7.8754 113.5942 52.0288 39.3250 174.7567 70 C 3.2091 6.9693 114.3163 57.5104 30.4441 173.6423 71 A 4.1416 8.4963 123.2511 52.2302 18.9319 177.4692 72 G 4.0476 6.8322 103.8319 46.1828 0.0000 171.4915 73 L 5.4401 8.0488 120.7936 53.3337 46.0408 174.3371 74 A 5.3015 9.2156 127.8295 50.0810 21.9547 174.7112 75 L 5.1241 9.0841 124.8534 53.1508 44.7991 175.4094 76 G 3.9151 8.6581 113.5034 44.7965 0.0000 171.4815 77 S 5.3061 7.9036 115.1306 56.1647 65.9273 171.8476 78 P 5.0555 0.0000 0.0000 62.6469 32.3298 176.1055 79 T 3.9882 8.7503 113.1707 62.1436 69.3714 174.6693 80 R 4.1106 9.1545 127.9553 54.7381 30.5328 176.1698 81 F 4.2422 8.8549 125.7322 58.5327 36.4461 176.9634 82 G 4.0223 8.2652 106.8950 45.5063 0.0000 172.1561 83 N 5.2182 7.6944 115.9716 50.8862 42.5595 173.6003 84 M 4.4766 8.3336 116.2058 54.7189 32.2762 176.6717 85 A 4.1636 8.9416 122.6758 51.8193 20.4315 179.0679 86 S 4.0408 8.5057 118.3474 61.3061 62.9376 175.3078 87 P 4.2592 0.0000 0.0000 64.7649 30.8227 178.4477 88 L 4.0014 7.5071 118.8238 58.0407 42.2755 178.2914 89 K 3.7992 7.8978 119.6369 60.0188 31.5149 177.7655 90 Y 4.0823 8.6683 119.7499 60.7426 38.4512 177.9879 91 F 4.0853 7.8020 120.6930 61.0944 39.7920 176.9127 92 L 4.0030 8.2943 118.9202 57.9103 41.2568 179.0134 93 D 4.6541 8.3165 118.1080 57.0244 40.6508 178.0735 94 G 3.8408 6.9883 103.7034 44.7240 0.0000 173.8918 95 T 4.4138 7.7379 109.7860 61.1513 69.2582 176.2825 96 S 3.9697 8.0764 118.9605 62.7860 62.7059 176.0885 97 S 4.0595 8.0976 114.5979 61.9035 61.9371 176.4336 98 L 4.0892 8.0104 123.1456 57.9801 41.2655 180.1767 *99 W 3.9591 7.9511 122.8187 61.3399 28.0974 180.5225 100 L 4.1573 8.0940 120.9054 58.4495 41.5168 178.7218 101 T 4.2582 7.8986 105.7370 60.9193 69.3110 174.3413 102 G 3.8939 7.9341 108.9822 46.9566 0.0000 173.3003 103 S 4.4357 8.5929 113.7661 57.4375 64.4020 174.8145 104 L 3.8335 8.5013 118.9556 55.2553 40.2887 175.2977 105 V 4.0223 7.2150 118.3070 64.3374 31.6999 175.5771 106 G 4.0802 8.9127 115.9252 45.1132 0.0000 173.7090 107 K 4.4576 7.8048 119.4428 54.9844 33.7620 175.2855 108 P 5.1107 0.0000 0.0000 63.1294 33.3475 174.6437 109 A 5.6754 8.8529 119.9186 52.1013 23.1225 175.1309 110 A 5.1338 8.5204 120.5032 50.5728 23.3096 175.0211 111 V 5.2216 8.2509 110.8528 60.0749 36.4929 174.8535 112 F 5.3480 8.4540 115.5609 56.4411 41.3536 173.1662 113 T 5.8429 9.0455 109.7699 59.8685 72.7826 172.2602 114 S 5.2350 8.5886 115.3120 57.0895 66.6653 172.2879 115 T 4.9112 8.9402 118.0329 60.7831 70.5167 174.4401 116 A 3.9477 8.9686 132.0713 55.3160 18.8349 178.1142 117 S 4.2085 8.1032 111.5743 59.2414 63.0605 174.8810 118 L 3.5847 8.5107 127.5781 57.7097 40.9374 177.1256 119 H 4.4593 7.4112 118.5499 55.3666 26.9128 176.5144 120 G 3.7530 8.8083 111.4337 45.3024 0.0000 168.8771 121 G 3.6119 8.4554 106.0170 46.1223 0.0000 176.4651 122 Q 4.0589 8.3285 120.0443 58.7540 28.9236 177.6715 123 E 4.1780 8.2731 119.3629 59.9549 29.5296 179.5514 124 T 3.7569 7.8765 109.0176 64.9984 68.3040 176.5582 125 T 4.1901 7.6105 119.8598 66.0387 68.5904 176.6173 126 Q 4.0472 8.7774 120.4726 58.8640 28.2178 178.7555 127 L 3.7358 8.3679 121.8079 58.2233 41.9673 179.2438 128 S 4.2252 8.1515 112.2348 60.9194 61.9801 175.3841 129 M 4.2753 7.8093 121.9966 57.3198 32.1193 178.2816 130 L 4.3059 7.8801 119.2328 57.2927 41.6565 179.0612 131 L 3.9475 7.5638 118.7184 57.4190 41.7458 177.5815 132 P 4.3234 0.0000 0.0000 66.2493 30.9985 178.1999 133 L 4.0726 7.4961 118.9321 57.4757 41.4760 179.5865 134 L 4.0084 8.1256 119.0072 57.9552 41.3727 179.0039 135 H 4.3765 8.2268 114.9729 58.0667 28.6229 176.3362 136 H 4.8216 7.8127 116.1201 54.5603 29.2950 174.6987 137 G 3.8458 8.0233 109.4012 46.9037 0.0000 173.8845 138 M 4.7501 8.0964 118.6043 54.1776 34.0075 176.1357 139 L 4.5388 8.4965 120.8285 53.7830 43.1013 176.2478 140 V 5.0775 8.3749 117.7573 59.7153 33.5709 175.5128 141 L 4.7662 8.6155 123.2537 54.1128 43.3703 176.6490 142 G 4.2985 8.5316 108.9562 44.5650 0.0000 172.8265 143 I 4.3438 8.1531 124.9673 58.9678 38.3659 174.9690 144 P 4.1827 0.0000 0.0000 63.0435 30.6218 176.1777 *158 T 4.1202 7.7480 108.0064 60.7552 69.5561 172.6353 159 P 4.2421 0.0000 0.0000 64.7148 31.6714 177.1812 160 Y 4.4746 7.5999 115.5657 57.4106 38.3927 175.4849 161 G 4.1573 6.8966 105.5660 44.5046 0.0000 171.6081 162 A 4.4504 7.9277 121.3563 51.8722 19.4539 177.0271 163 S 5.6027 8.5175 114.7729 55.9037 66.7046 172.8583 164 H 5.4463 9.2464 120.6671 53.5511 33.2575 171.7102 165 F 5.1395 9.0735 128.1493 57.5660 39.3179 174.8432 166 A 4.0588 9.5233 129.2071 51.5133 20.2340 174.3893 167 G 3.6812 7.2401 109.2150 44.7657 0.0000 173.6923 168 A 3.9398 8.9345 128.6037 55.9197 18.5860 178.1478 169 D 4.4431 7.9469 112.9910 53.3864 40.1442 177.9147 170 G 3.8239 8.5574 107.8261 49.5399 0.0000 174.1094 171 K 4.0387 8.7524 127.9211 53.8052 29.4426 173.0233 172 R 3.8283 7.0919 120.1642 57.3892 29.4988 176.5277 173 S 4.2448 8.3431 121.2865 58.0394 63.4609 174.4105 174 L 4.3467 8.2493 121.4281 54.7342 41.8150 176.2828 175 D 4.8468 8.5325 119.8476 52.2076 43.5505 176.9874 176 E 3.8501 8.3900 119.1613 61.3615 30.0421 179.2789 177 H 4.4598 8.3053 119.1388 59.1001 29.6372 176.7789 178 E 3.9364 8.4445 120.3982 59.6677 29.4760 179.4449 179 L 3.9761 8.1820 118.9497 58.1073 41.6304 179.7897 180 T 3.8658 7.9226 115.5624 66.7181 68.3576 176.7969 181 L 3.9763 8.3933 121.2193 57.6564 41.5985 179.3471 182 C 3.9937 8.2789 117.0990 62.9666 28.1201 176.4477 183 R 3.9899 7.8362 118.9357 58.8504 29.5431 178.6717 184 A 3.9297 8.0437 120.8028 55.2234 18.2933 179.3428 185 L 3.9335 8.0930 118.5909 58.2968 42.2054 179.0537 186 G 3.7589 7.9612 105.6059 47.9636 0.0000 175.3581 187 K 4.0845 8.5441 122.4391 59.0757 32.1613 178.8688 188 R 3.8507 8.3327 119.4314 59.2336 30.0084 178.0108 189 L 3.8546 8.5769 120.3330 58.1945 41.9695 178.8659 190 A 3.5451 8.0211 120.4256 55.1484 18.3153 179.3987 191 E 3.9962 8.5464 117.5020 59.8612 29.5352 179.7998 192 T 3.8212 8.1586 115.6370 66.6382 68.3309 176.4427 193 A 4.0112 7.7716 121.4209 55.0492 18.3168 179.4423 194 G 4.0886 8.0964 103.5508 48.4187 0.0000 175.7041 195 K 4.1151 8.3443 121.0498 58.6188 32.1380 177.7251 196 L 4.3232 7.8453 122.9554 54.9616 41.7706 176.6065 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 4 P 0.00 4.73 0.00 2.10 2.32 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 5 Y 7.87 5.39 0.00 3.35 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 6 I 9.04 4.40 1.92 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.79 0.97 0.00 0.00 7 L 8.79 4.75 0.00 2.08 1.68 1.11 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.98 4.69 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 1.17 0.00 0.00 1.00 0.00 0.00 9 L 9.10 5.37 0.00 1.82 1.57 0.65 0.79 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 10 Y 8.06 5.76 0.00 3.18 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 11 Y 8.50 4.90 0.00 2.90 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 6.93 4.34 0.00 4.05 3.58 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 13 R 8.17 4.03 0.00 1.87 1.76 0.00 3.31 0.00 0.00 3.22 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 14 H 7.22 4.58 0.00 3.14 3.26 0.00 5.77 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 15 G 7.35 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 16 A 7.60 3.96 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 17 T 7.92 4.01 4.44 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 1.42 0.00 0.00 18 A 7.85 3.29 1.41 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 19 E 7.76 3.76 0.00 2.05 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 2.22 2.29 0.00 20 M 7.82 3.80 0.00 1.96 2.29 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.51 0.00 21 A 7.85 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.52 3.77 0.00 1.93 1.92 0.00 3.27 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 23 Q 7.81 3.93 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 24 I 7.57 3.73 1.63 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.19 0.79 0.00 0.00 25 A 8.01 3.99 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 26 R 8.10 3.95 0.00 2.03 1.98 0.00 3.29 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 27 G 8.00 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 28 V 8.25 3.78 2.31 0.00 0.00 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 1.05 0.00 0.00 29 E 8.25 4.79 0.00 2.33 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 2.36 2.35 0.00 30 Q 8.12 4.16 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.05 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 31 G 7.85 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 0.00 0.00 0.00 0.00 32 G 8.68 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 33 F 8.26 4.87 0.00 3.14 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 34 E 8.96 4.64 0.00 1.70 1.83 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 2.24 2.14 0.00 35 A 8.69 4.91 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 36 R 9.12 4.24 0.00 1.63 1.89 0.00 2.67 0.00 0.00 3.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 37 V 8.25 4.60 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 1.02 0.00 0.00 0.97 0.00 0.00 38 R 9.28 4.92 0.00 1.68 1.75 0.00 3.26 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 39 T 8.36 5.29 3.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 40 V 8.07 4.65 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 0.31 0.00 0.00 0.99 0.00 0.00 41 P 0.00 4.22 0.00 1.84 0.86 0.00 3.60 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.32 0.00 42 A 8.44 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 4.35 1.68 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 0.43 0.00 0.00 0.75 0.00 0.00 44 S 7.98 4.54 0.00 3.88 3.76 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 45 T 8.29 4.33 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 1.17 0.00 0.00 46 E 7.85 4.47 0.00 1.89 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 0.00 2.19 2.26 0.00 *58 G 7.84 3.66 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 0.00 0.00 0.00 59 A 8.19 4.28 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.05 0.00 1.71 1.47 0.84 0.82 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 61 Y 8.06 5.08 0.00 2.90 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 62 A 9.12 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 9.25 4.84 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 1.32 0.00 0.00 64 L 8.86 4.02 0.00 1.77 1.79 0.74 0.81 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 65 E 8.25 4.04 0.00 2.04 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 2.44 2.38 0.00 66 D 8.05 4.67 0.00 2.99 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 67 L 7.76 4.25 0.00 2.03 1.75 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.20 4.06 0.00 1.89 2.07 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.50 7.81 69 N 7.88 4.89 0.00 3.06 2.95 0.00 0.00 7.07 7.69 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 70 C 6.97 3.21 0.00 3.05 3.07 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 71 A 8.50 4.14 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 72 G 6.83 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 73 L 8.05 5.44 0.00 1.79 1.47 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 A 9.22 5.30 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 5.12 0.00 1.77 1.48 1.02 0.69 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 76 G 8.66 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.90 5.31 0.00 3.92 3.64 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 78 P 0.00 5.06 0.00 2.16 2.09 0.00 4.03 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 79 T 8.75 3.99 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 1.34 0.00 0.00 80 R 9.15 4.11 0.00 1.81 1.89 0.00 3.34 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 81 F 8.85 4.24 0.00 3.23 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 82 G 8.27 4.02 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 0.00 0.00 0.00 83 N 7.69 5.22 0.00 2.77 2.72 0.00 0.00 6.69 8.14 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 84 M 8.33 4.48 0.00 2.13 2.08 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 2.57 2.55 0.00 85 A 8.94 4.16 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 86 S 8.51 4.04 0.00 3.99 4.12 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 87 P 0.00 4.26 0.00 1.37 2.01 0.00 2.92 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.79 0.00 88 L 7.51 4.00 0.00 1.78 1.84 0.99 0.77 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 89 K 7.90 3.80 0.00 1.94 2.01 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.54 7.81 90 Y 8.67 4.08 0.00 3.09 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 91 F 7.80 4.09 0.00 3.00 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 92 L 8.29 4.00 0.00 1.86 1.70 0.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.32 4.65 0.00 2.61 2.62 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 94 G 6.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.74 4.41 4.15 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 0.99 0.00 0.00 96 S 8.08 3.97 0.00 3.81 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 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V 7.21 4.02 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 0.78 0.00 0.00 1.04 0.00 0.00 106 G 8.91 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 0.00 107 K 7.80 4.46 0.00 1.72 1.84 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.62 7.81 108 P 0.00 5.11 0.00 2.07 2.13 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 109 A 8.85 5.68 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 0.00 110 A 8.52 5.13 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 0.00 111 V 8.25 5.22 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 0.91 0.00 0.00 1.09 0.00 0.00 112 F 8.45 5.35 0.00 3.15 3.07 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 0.00 113 T 9.05 5.84 4.30 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 1.24 0.00 0.00 114 S 8.59 5.24 0.00 4.00 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 0.00 115 T 8.94 4.91 4.30 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 1.44 0.00 0.00 116 A 8.97 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 4.21 0.00 3.86 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 0.00 118 L 8.51 3.58 0.00 1.71 1.56 0.92 0.93 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 0.00 119 H 7.41 4.46 0.00 3.18 3.27 0.00 5.77 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 0.00 120 G 8.81 3.75 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 0.00 0.00 0.00 121 G 8.46 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.10 4.75 0.00 2.02 2.11 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 2.74 2.73 0.00 139 L 8.50 4.54 0.00 1.65 1.60 0.92 0.82 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 0.00 140 V 8.37 5.08 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 0.74 0.00 0.00 0.96 0.00 0.00 141 L 8.62 4.77 0.00 1.60 1.58 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.53 4.30 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 0.00 143 I 8.15 4.34 1.83 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 1.40 0.67 0.88 0.00 0.00 144 P 0.00 4.18 0.00 2.02 2.07 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 *158 T 7.75 4.12 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 1.27 0.00 0.00 159 P 0.00 4.24 0.00 1.71 2.06 0.00 3.39 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 0.49 1.49 0.00 160 Y 7.60 4.47 0.00 3.00 3.07 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 0.00 161 G 6.90 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 0.00 0.00 0.00 0.00 162 A 7.93 4.45 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 0.00 163 S 8.52 5.60 0.00 4.01 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 0.00 164 H 9.25 5.45 0.00 3.28 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 9.07 5.14 0.00 2.90 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 0.00 166 A 9.52 4.06 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 0.00 167 G 7.24 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 0.00 168 A 8.93 3.94 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 0.00 169 D 7.95 4.44 0.00 2.71 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 0.00 170 G 8.56 3.82 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 0.00 171 K 8.75 4.04 0.00 1.84 2.15 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.20 0.92 7.81 172 R 7.09 3.83 0.00 1.70 1.79 0.00 2.84 0.00 0.00 2.84 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 173 S 8.34 4.24 0.00 3.87 3.76 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 0.00 174 L 8.25 4.35 0.00 1.55 1.63 0.57 0.98 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 0.00 175 D 8.53 4.85 0.00 2.90 2.73 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 0.00 176 E 8.39 3.85 0.00 2.00 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 1.99 0.00 177 H 8.31 4.46 0.00 3.19 3.33 0.00 5.68 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 0.00 178 E 8.44 3.94 0.00 2.17 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 2.53 2.42 0.00 179 L 8.18 3.98 0.00 1.82 1.68 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 180 T 7.92 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 0.00 181 L 8.39 3.98 0.00 1.69 1.65 0.82 0.82 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 0.00 182 C 8.28 3.99 0.00 2.99 2.79 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 0.00 183 R 7.84 3.99 0.00 1.85 1.94 0.00 3.12 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 184 A 8.04 3.93 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 0.00 185 L 8.09 3.93 0.00 1.84 1.84 0.94 1.18 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 0.00 186 G 7.96 3.76 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 0.00 187 K 8.54 4.08 0.00 1.95 2.01 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.54 7.81 188 R 8.33 3.85 0.00 1.96 2.04 0.00 3.16 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 189 L 8.58 3.85 0.00 1.80 1.87 0.88 1.22 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 0.00 190 A 8.02 3.55 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 0.00 191 E 8.55 4.00 0.00 2.09 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 2.38 2.41 0.00 192 T 8.16 3.82 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 193 A 7.77 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 G 8.10 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 0.00 0.00 0.00 0.00 195 K 8.34 4.12 0.00 1.84 1.92 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.70 7.81 196 L 7.85 4.32 0.00 1.63 1.58 0.97 0.71 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 * Residues marked with a * may have inaccurate shift predictions.