NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6023 8.1933 115.3793 57.6989 64.5435 174.5309 2 L 4.0503 8.3804 121.4786 57.1850 41.0341 178.5651 3 W 4.3567 8.8285 120.2310 59.8294 29.3764 177.9462 4 Q 4.2501 7.9588 116.7486 58.6822 28.2484 178.1423 5 F 4.6826 8.6976 122.1519 61.3314 39.3678 177.4963 6 G 3.5855 8.4987 105.4475 47.7490 0.0000 175.8835 7 K 4.1269 7.9935 121.2740 59.3833 32.0903 179.1060 8 M 4.1753 8.5680 118.8905 58.7126 32.0676 178.4280 9 I 3.6781 7.8012 119.9230 64.5187 37.0780 178.1734 10 N 4.5297 8.1410 116.1093 56.4938 38.3806 176.5298 11 Y 4.3002 8.0569 120.3405 60.3621 39.0075 177.2725 12 V 3.6642 7.7937 118.1790 65.0550 32.3118 176.9926 13 M 4.3423 8.6902 116.7234 54.7039 32.7051 175.8507 *15 G 4.3813 7.0670 107.2831 44.9408 0.0000 173.5637 16 E 4.0288 8.8341 119.3129 59.2380 29.8063 178.6240 17 S 4.5068 8.0599 111.0781 58.5732 64.0278 175.9914 18 G 3.7055 8.5415 110.2151 48.1488 0.0000 175.7702 19 V 3.6171 7.8919 120.5445 65.8570 31.2956 177.7405 20 L 4.2341 7.9796 117.9087 58.2935 42.0999 178.2105 21 Q 4.0655 8.0071 118.5640 58.3147 28.9934 176.5824 22 Y 4.3984 8.3119 115.7677 57.6310 39.3279 176.8264 23 L 4.5320 8.0085 118.5295 54.5705 42.8405 177.5380 24 S 4.4537 7.5193 114.9315 56.9002 63.4101 170.9698 25 Y 4.9046 8.7171 125.7824 56.6074 42.7388 175.5212 26 G 3.5726 8.1636 115.7627 47.0515 0.0000 173.1439 27 C 4.5948 9.0392 114.7449 57.7131 40.0465 174.4848 28 Y 4.2044 8.7178 115.9108 57.8060 39.9356 174.6080 29 C 4.9340 8.5158 117.9022 58.3057 41.3249 171.6132 30 G 4.1932 7.6550 117.3223 44.1502 0.0000 175.2246 31 L 4.2222 8.5784 124.9851 54.8435 45.1668 173.7228 32 G 3.5805 8.6425 114.5724 46.0587 0.0000 172.1747 33 G 3.6048 7.7418 106.8458 44.1425 0.0000 170.9731 34 Q 4.5298 6.7823 114.4062 56.8708 31.5555 175.3727 35 G 4.2255 9.0290 104.9485 46.1398 0.0000 171.9205 36 Q 4.7465 8.6193 120.2648 53.1798 30.5518 173.9678 37 P 4.6135 0.0000 0.0000 63.0558 31.9763 176.7335 38 T 3.7288 9.5209 114.5505 64.3027 69.1832 173.7567 39 D 4.4180 7.2147 118.7696 51.2456 41.8160 174.6673 40 A 3.9947 8.8786 119.6373 56.2640 18.1360 179.9366 41 T 3.9773 8.0601 113.6312 67.0573 68.5249 176.2166 42 D 4.5773 8.9301 120.0064 57.4194 41.1694 178.4730 43 R 3.9993 8.2499 118.8437 59.2389 29.9756 178.3218 44 C 4.3122 8.2305 116.5737 60.3304 39.7989 175.5037 45 C 4.3591 8.2219 118.0463 59.5636 40.7605 175.9949 46 F 3.8622 8.3769 122.8018 61.1995 38.9179 177.3974 47 V 3.2379 7.9664 118.0226 65.9531 31.2537 177.4398 48 H 3.8833 8.0322 118.0561 59.1702 29.8144 176.7088 49 D 4.0852 8.1909 120.0493 57.6348 40.8661 177.6484 50 C 4.1612 7.7139 115.7743 59.7949 40.0933 175.1218 51 C 4.3118 7.8242 119.6469 59.9613 38.7361 174.8928 52 Y 4.1876 8.1818 118.4723 61.0546 37.2378 178.9232 53 G 3.5661 7.9454 105.8438 47.2125 0.0000 175.3380 *57 K 4.3124 7.8316 117.6873 55.8659 34.0430 175.8049 58 V 4.0329 7.4192 119.4136 62.3605 31.2601 175.3887 59 T 4.5066 8.4449 116.0622 61.2361 70.2404 174.6686 60 G 3.8838 7.9835 109.7106 45.5286 0.0000 171.5071 61 C 4.4213 7.4034 113.4372 54.7354 44.0471 172.3542 *67 D 4.7518 8.4954 117.7176 53.3025 40.4818 173.9020 68 P 3.9362 0.0000 0.0000 64.8290 31.7419 177.8278 69 K 4.1870 8.5949 121.4708 58.3122 32.2257 177.8285 70 I 4.5612 7.6690 108.0734 60.3502 39.1152 175.0956 71 D 4.5734 8.2158 122.4665 54.1038 41.3322 176.0566 72 S 4.5866 8.4499 119.8426 57.6106 64.1252 172.8714 73 Y 4.9860 7.9294 121.7374 55.4696 40.8738 174.2628 74 T 4.9505 8.4429 115.4066 62.3442 70.9862 173.5294 75 Y 5.3425 8.1953 122.1877 56.4930 41.0667 173.3851 76 S 4.7517 9.6919 115.5901 56.6962 67.6530 173.1358 77 K 4.9625 7.9639 119.8765 54.6740 34.9682 176.1647 78 K 4.1674 9.4574 121.1130 56.9795 35.8740 174.8602 79 N 4.5208 10.1755 125.1065 54.5178 35.9657 175.4623 80 G 3.7233 8.5139 106.3774 45.4727 0.0000 173.6569 81 D 4.9261 7.7790 118.9148 52.8159 43.0583 174.8628 82 V 5.1546 8.1182 119.0585 61.3185 34.6059 174.6656 83 V 4.5186 8.9331 126.0661 61.2579 34.4974 173.7666 84 C 4.9079 9.0237 125.5599 56.8813 40.8467 173.4354 85 G 4.0341 8.9467 112.2454 46.8928 0.0000 172.1428 86 G 4.0662 9.3022 110.6476 45.1564 0.0000 172.6549 87 D 4.6829 8.2671 114.2720 52.5762 40.7193 174.5114 88 D 4.4719 7.9453 120.7057 53.1208 41.7787 174.6061 *90 P 4.3120 0.0000 0.0000 62.8316 33.5331 179.5836 91 C 4.2433 8.2032 116.9344 59.7452 43.0427 175.6257 92 K 3.9644 9.0126 120.4229 59.3376 31.5930 179.5733 93 K 3.9906 8.3565 119.1095 59.2899 31.8403 179.1625 94 Q 3.9358 7.8264 119.6821 58.8176 28.9356 178.2607 95 I 3.4978 7.3884 120.7233 64.4938 37.1426 177.2909 96 C 2.8020 7.6387 119.2082 59.4489 43.5446 175.3722 97 E 3.6897 7.9380 120.6310 59.2229 29.0846 178.1353 98 C 4.2325 7.7962 116.3141 60.1410 39.2930 175.8921 99 D 3.9920 7.9147 120.3728 57.1274 40.5188 178.7896 100 R 3.8403 8.1403 119.6021 59.3748 30.0996 178.7589 101 V 3.4905 7.8002 117.7891 65.9127 31.5258 177.7717 102 A 3.6538 7.6524 120.1817 55.3214 18.1621 179.7990 103 T 3.5979 7.7930 114.4022 66.9188 68.4984 177.1429 104 T 3.9081 7.7068 111.3632 64.6829 68.8456 175.8962 105 C 4.2191 8.0911 121.4969 59.5176 43.4034 175.4820 106 F 4.3944 7.5092 118.4773 60.5666 38.2119 177.3392 107 R 4.0392 7.7773 117.8419 59.6466 29.7454 178.3963 108 D 4.5078 8.4386 117.4849 56.2334 40.9960 177.4398 109 N 4.9575 7.8748 115.5642 52.8267 39.2038 176.0895 110 K 3.9516 7.7801 124.1974 59.8624 31.9151 178.1534 111 D 4.4557 8.2533 117.0690 56.4390 41.3283 176.4077 112 T 4.5574 7.6980 107.0979 61.1901 69.1226 173.5737 113 Y 4.0108 7.9860 123.8792 58.1017 39.2012 174.7289 114 D 4.9058 9.0864 127.0057 52.1340 43.1642 176.2326 115 I 3.9628 8.5558 127.2710 63.1285 38.2679 177.3666 116 K 3.7900 8.3381 121.0371 59.4841 32.1575 176.7338 117 Y 4.1511 7.5542 114.9437 56.9775 37.9196 174.6763 118 W 4.7813 8.0633 131.6806 58.3800 31.5980 176.2640 119 F 3.5480 8.7658 125.6697 57.2710 36.4546 175.5194 120 Y 4.2732 7.8946 121.4788 58.8797 38.0687 175.7349 121 G 3.6877 8.4518 109.2132 45.6340 0.0000 173.4078 122 A 4.1718 8.7870 128.4000 55.0823 18.7467 179.1544 123 K 3.7987 7.4929 114.8883 60.2485 32.2401 178.3338 *125 N 4.6715 7.9337 113.2391 52.4826 40.2174 175.3261 126 C 4.9171 8.2876 115.5196 56.8812 41.5115 174.2552 127 Q 4.5040 7.5331 121.0590 55.0518 26.8352 174.1420 128 E 4.7311 7.3755 116.9416 53.6146 33.6526 175.2809 129 K 4.0434 8.6623 119.6887 57.3601 32.4005 176.2533 130 S 5.2174 8.4524 121.6555 57.5892 63.8541 173.6203 131 E 4.0911 8.6401 124.6877 55.6444 30.0081 174.6924 132 P 4.5847 0.0000 0.0000 62.2982 32.4098 177.1849 133 C 4.4797 8.8218 119.8672 57.4295 41.1227 173.6383 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 S 8.19 4.60 0.00 4.15 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 2 L 8.38 4.05 0.00 1.46 1.70 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.83 4.36 0.00 3.43 3.23 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 4 Q 7.96 4.25 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 5 F 8.70 4.68 0.00 3.29 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 6 G 8.50 3.59 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 0.00 0.00 0.00 7 K 7.99 4.13 0.00 2.18 2.11 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.62 7.81 8 M 8.57 4.18 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 9 I 7.80 3.68 1.90 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.38 0.83 0.00 0.00 10 N 8.14 4.53 0.00 2.94 2.98 0.00 0.00 7.05 7.06 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 11 Y 8.06 4.30 0.00 3.03 3.24 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 0.00 12 V 7.79 3.66 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 0.85 0.00 0.00 1.10 0.00 0.00 13 M 8.69 4.34 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.56 0.00 *15 G 7.07 4.38 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 0.00 16 E 8.83 4.03 0.00 1.99 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 2.37 2.30 0.00 17 S 8.06 4.51 0.00 3.97 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 18 G 8.54 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 0.00 0.00 0.00 19 V 7.89 3.62 2.16 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 1.10 0.00 0.00 1.04 0.00 0.00 20 L 7.98 4.23 0.00 1.86 1.89 1.22 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.01 4.07 0.00 2.21 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.50 0.00 0.00 0.00 0.00 0.00 1.37 1.75 0.00 22 Y 8.31 4.40 0.00 2.80 2.33 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 L 8.01 4.53 0.00 1.79 1.71 0.90 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 24 S 7.52 4.45 0.00 3.01 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 25 Y 8.72 4.90 0.00 2.91 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.16 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.04 4.59 0.00 3.25 3.16 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 28 Y 8.72 4.20 0.00 3.33 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 29 C 8.52 4.93 0.00 3.45 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.66 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.58 4.22 0.00 1.63 1.54 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.64 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 0.00 0.00 0.00 33 G 7.74 3.60 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 0.00 0.00 0.00 34 Q 6.78 4.53 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.10 2.35 0.00 35 G 9.03 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 0.00 0.00 0.00 36 Q 8.62 4.75 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 37 P 0.00 4.61 0.00 1.81 1.85 0.00 3.35 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.24 0.00 38 T 9.52 3.73 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 0.66 0.00 0.00 39 D 7.21 4.42 0.00 2.90 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 40 A 8.88 3.99 1.42 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 0.00 0.00 0.00 41 T 8.06 3.98 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 1.02 0.00 0.00 42 D 8.93 4.58 0.00 2.97 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 43 R 8.25 4.00 0.00 2.12 2.01 0.00 3.18 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 44 C 8.23 4.31 0.00 3.44 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 45 C 8.22 4.36 0.00 3.39 3.52 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 46 F 8.38 3.86 0.00 2.64 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.97 3.24 2.16 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 0.91 0.00 0.00 0.95 0.00 0.00 48 H 8.03 3.88 0.00 3.19 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.19 4.09 0.00 3.01 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.71 4.16 0.00 2.80 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 51 C 7.82 4.31 0.00 3.03 3.22 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 52 Y 8.18 4.19 0.00 3.05 2.92 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 53 G 7.95 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.31 0.00 1.88 1.89 0.00 1.78 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.29 7.81 58 V 7.42 4.03 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 0.76 0.00 0.00 0.88 0.00 0.00 59 T 8.44 4.51 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 60 G 7.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.40 4.42 0.00 3.33 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 *67 D 8.50 4.75 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.94 0.00 0.49 1.52 0.00 3.69 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 69 K 8.59 4.19 0.00 1.86 2.04 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.42 7.81 70 I 7.67 4.56 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.88 0.97 0.00 0.00 71 D 8.22 4.57 0.00 2.87 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.59 0.00 3.83 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 73 Y 7.93 4.99 0.00 3.02 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 74 T 8.44 4.95 4.45 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 1.24 0.00 0.00 75 Y 8.20 5.34 0.00 3.11 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 76 S 9.69 4.75 0.00 3.73 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 77 K 7.96 4.96 0.00 1.12 0.74 0.00 1.63 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.68 1.26 7.81 78 K 9.46 4.17 0.00 1.78 1.66 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.37 7.81 79 N 10.18 4.52 0.00 2.94 2.89 0.00 0.00 7.21 7.65 0.00 0.00 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 G 8.51 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 81 D 7.78 4.93 0.00 2.86 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 82 V 8.12 5.15 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 0.88 0.00 0.00 1.13 0.00 0.00 83 V 8.93 4.52 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 0.95 0.00 0.00 0.98 0.00 0.00 84 C 9.02 4.91 0.00 2.87 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 85 G 8.95 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 86 G 9.30 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 0.00 0.00 0.00 87 D 8.27 4.68 0.00 2.71 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 88 D 7.95 4.47 0.00 2.71 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 *90 P 0.00 4.31 0.00 2.23 2.10 0.00 3.71 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 2.00 2.07 0.00 91 C 8.20 4.24 0.00 2.97 3.18 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 92 K 9.01 3.96 0.00 1.85 1.98 0.00 1.77 0.00 0.00 1.99 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.85 7.81 93 K 8.36 3.99 0.00 1.93 1.82 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.67 7.81 94 Q 7.83 3.94 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 95 I 7.39 3.50 2.11 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 1.21 0.82 0.96 0.00 0.00 96 C 7.64 2.80 0.00 1.84 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 97 E 7.94 3.69 0.00 2.22 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 2.32 0.00 98 C 7.80 4.23 0.00 3.25 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 99 D 7.91 3.99 0.00 2.78 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 0.00 100 R 8.14 3.84 0.00 1.86 1.84 0.00 3.29 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 101 V 7.80 3.49 1.99 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 0.87 0.00 0.00 0.95 0.00 0.00 102 A 7.65 3.65 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 7.79 3.60 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 104 T 7.71 3.91 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 1.23 0.00 0.00 105 C 8.09 4.22 0.00 3.03 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 0.00 106 F 7.51 4.39 0.00 2.88 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 0.00 0.00 0.00 107 R 7.78 4.04 0.00 1.86 2.05 0.00 3.06 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 1.61 1.65 0.00 108 D 8.44 4.51 0.00 2.67 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 0.00 109 N 7.87 4.96 0.00 2.96 2.88 0.00 0.00 6.44 6.97 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 0.00 110 K 7.78 3.95 0.00 2.02 1.86 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.51 7.81 111 D 8.25 4.46 0.00 2.70 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 0.00 112 T 7.70 4.56 4.32 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 1.26 0.00 0.00 113 Y 7.99 4.01 0.00 2.97 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 0.00 114 D 9.09 4.91 0.00 2.73 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.56 3.96 1.95 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 1.40 0.96 0.00 0.00 116 K 8.34 3.79 0.00 1.46 1.46 0.00 1.52 0.00 0.00 0.90 0.00 0.00 2.62 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.33 1.09 7.81 117 Y 7.55 4.15 0.00 1.57 1.84 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 0.00 118 W 8.06 4.78 0.00 3.32 3.41 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 0.00 119 F 8.77 3.55 0.00 2.69 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 0.00 120 Y 7.89 4.27 0.00 2.88 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.45 3.69 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 0.00 0.00 0.00 122 A 8.79 4.17 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 0.00 123 K 7.49 3.80 0.00 1.97 2.05 0.00 1.26 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.32 7.81 *125 N 7.93 4.67 0.00 2.31 2.93 0.00 0.00 6.79 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 0.00 126 C 8.29 4.92 0.00 2.97 3.28 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 0.00 127 Q 7.53 4.50 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 128 E 7.38 4.73 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 2.27 2.23 0.00 129 K 8.66 4.04 0.00 1.73 1.81 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.58 7.81 130 S 8.45 5.22 0.00 3.93 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 0.00 131 E 8.64 4.09 0.00 1.86 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 2.22 2.26 0.00 132 P 0.00 4.58 0.00 2.03 2.01 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 133 C 8.82 4.48 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 * Residues marked with a * may have inaccurate shift predictions.