NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5701 8.3149 120.0855 56.3917 33.5197 174.6891 6 I 4.4579 8.8778 126.1505 58.5405 41.1017 169.1943 7 V 4.8129 9.0952 126.1369 61.4561 34.2531 173.8877 8 L 5.0412 8.7013 127.8976 53.0550 44.1818 175.6830 9 K 4.4517 8.7611 124.7430 54.7723 33.4228 176.4790 10 S 4.4649 8.6913 121.0524 57.4817 63.9359 173.6278 11 S 4.6710 8.5221 114.0281 58.2300 63.1032 175.1699 12 D 4.2005 8.5002 117.6181 53.5908 39.6336 175.5981 13 G 3.9134 8.4573 107.9102 47.2196 0.0000 172.1475 14 E 4.5504 7.7642 120.7034 55.3817 32.7499 174.2347 15 S 4.6841 8.6154 120.5830 58.5860 64.2337 173.9772 16 F 4.6132 8.9092 121.2014 55.5476 42.2145 173.8897 17 E 4.4007 8.9385 125.9881 55.9408 29.9447 176.0616 18 V 4.6849 8.6306 119.8702 59.3689 36.5765 175.6154 19 E 4.3501 8.7046 122.3971 55.7815 29.1915 176.2604 20 E 3.8366 8.2134 118.5471 60.4458 29.0909 178.2276 21 A 4.1343 7.7168 124.0238 54.0229 19.1681 179.3913 22 V 3.6559 7.6401 116.8723 65.9191 32.0592 177.7578 23 A 4.1386 7.8536 119.3605 54.2633 17.9845 178.6430 24 L 4.3241 7.3275 114.9096 55.8431 42.0282 178.3159 25 E 4.2854 7.8101 118.5731 58.0722 29.6874 176.8251 26 S 4.3763 7.5266 113.3722 57.2263 62.1406 174.6030 27 Q 4.1621 8.6058 127.9630 58.4701 28.8241 179.0433 28 T 4.0175 7.7724 114.2515 66.1423 69.1520 175.9006 29 I 3.9074 7.6403 121.4575 63.2478 37.9605 178.2542 30 A 4.0061 8.1351 123.8502 55.5650 18.3066 179.0488 31 H 4.4352 8.0531 108.5587 57.3224 28.0407 175.5866 32 M 4.8281 7.8093 117.8781 55.3472 32.3681 176.6780 33 V 4.3502 7.7635 108.0866 60.9288 31.9089 176.8085 34 E 4.1719 7.4482 120.3980 58.8474 29.9043 177.4266 35 D 4.5339 8.3612 118.9035 56.4727 39.4453 178.1270 36 D 4.5255 6.9115 118.9891 57.3645 37.1158 175.4215 37 C 4.3540 8.3488 122.1785 60.7537 28.8280 175.8766 38 V 3.6849 7.7803 120.3388 65.2837 31.2965 177.1700 39 D 4.3900 8.2564 118.5589 57.2861 40.6446 177.1446 40 N 4.8497 8.1969 113.5086 52.4696 39.1363 173.6926 41 G 4.1222 8.1481 108.2078 45.1375 0.0000 174.4792 42 V 3.8280 8.3641 115.6435 60.4543 32.5692 173.9581 43 P 4.8614 0.0000 0.0000 62.0549 31.5814 175.5961 44 L 4.9025 8.7031 127.4410 51.9488 40.8014 174.4403 45 P 4.8348 0.0000 0.0000 63.8557 31.7206 177.1640 46 N 4.7255 8.0389 114.2995 53.3174 40.2142 174.3773 47 V 4.2879 7.5512 119.3642 60.8090 33.2815 174.9003 48 T 4.2860 8.3143 122.4042 61.7497 69.2138 174.5740 49 S 4.2218 8.7199 121.0689 60.7165 62.1805 176.2435 50 K 3.9636 8.1537 122.0128 59.6280 31.8057 178.7165 51 I 3.7906 7.6365 119.3619 64.3397 37.2056 177.6825 52 L 3.7955 8.1300 121.2624 58.1529 41.6337 178.7908 53 A 4.0149 7.8269 120.3445 55.4048 18.4709 179.8513 54 K 4.1493 7.7392 115.5904 59.4819 32.0909 179.8799 55 V 3.7435 8.1105 118.9042 66.1305 31.5334 178.1366 56 I 3.7291 8.0852 119.9118 64.2972 37.0405 177.6967 57 E 3.9672 8.4875 120.3621 59.6999 29.5085 178.4406 58 Y 3.9590 7.9026 118.5690 60.9135 38.9234 177.7304 59 C 4.0278 8.3329 117.6150 62.5592 27.7604 175.5733 60 K 3.7148 8.4089 121.6706 60.0124 31.4477 178.5816 61 R 3.5611 7.2975 116.6198 59.4873 29.9206 177.8717 62 H 4.0704 7.5762 115.0157 58.3857 29.0430 177.5832 63 V 3.7222 7.7590 120.1835 65.5066 31.0671 176.8331 64 E 4.1396 7.5341 116.1195 56.8182 28.9812 176.6963 65 A 4.5780 7.5193 119.1381 52.1122 18.9332 179.6496 66 A 3.8768 7.6681 121.9015 56.2508 18.7975 178.6378 67 A 3.9580 7.6962 122.1978 52.3712 18.4800 177.6027 68 S 4.4012 8.2743 118.6959 59.0609 64.1530 174.3870 *80 D 4.6756 8.5308 122.3754 54.5380 41.6124 177.6129 81 D 4.3564 8.0453 117.9693 57.3783 41.5365 177.4119 82 D 4.6455 8.0001 117.1122 55.9575 41.6748 178.4671 83 L 3.9954 7.8922 119.8599 57.8642 41.8344 179.3158 84 K 4.0632 8.2330 117.3282 59.0148 31.8678 179.0718 85 A 4.0057 7.4601 119.0041 54.9054 18.4575 179.3246 86 W 4.1842 8.2947 126.6238 60.6564 30.8556 177.7113 87 D 4.5042 9.1375 118.9466 57.6660 40.1776 178.6038 88 A 4.0334 7.7782 119.6415 55.4548 18.1874 178.8649 89 D 4.3416 8.1041 116.1681 56.9408 41.0498 178.1923 90 F 4.0560 7.8229 120.7791 60.7323 39.3952 176.1451 91 M 4.0474 7.3891 115.3759 55.0645 33.3289 177.1257 92 K 4.2590 7.2329 120.1457 56.3527 30.2604 174.5461 93 I 4.4906 6.8475 112.0749 58.3365 41.2959 175.5724 94 D 4.6057 7.9824 119.6923 52.5459 41.8500 176.5400 95 Q 3.3436 8.3873 118.3812 59.2049 28.5258 179.1153 96 A 3.8670 7.7207 120.8562 55.6967 18.3648 179.4027 97 T 3.9564 7.3932 113.1066 65.7493 68.9665 176.7950 98 L 3.8151 7.6486 122.4835 58.2363 42.0334 179.1469 99 F 4.5141 7.9077 117.6436 60.8376 39.0044 177.6127 100 E 4.0480 8.1083 118.1347 59.0197 29.1629 179.5184 101 L 4.0238 7.7684 119.2336 57.6174 41.7432 179.2383 102 I 3.6664 7.7418 119.7438 64.6103 37.1383 178.4109 103 L 4.0105 8.1679 119.4568 57.8017 41.3617 179.6307 104 A 4.1395 7.9610 120.1498 55.0684 18.5178 179.5351 105 A 3.9664 8.6075 119.7201 55.2426 18.1696 179.4458 106 N 4.3121 8.1393 114.9721 56.7329 38.8112 176.2762 107 Y 4.4814 8.1831 120.9675 62.1626 39.2235 175.9315 108 L 4.6019 8.0700 124.8637 54.4936 41.8424 178.9004 109 N 4.9701 8.3212 115.1020 53.7795 39.4997 176.6272 110 I 4.2583 7.7728 121.4830 59.5889 37.2115 176.9757 111 K 3.9513 8.4549 127.1033 59.3205 32.1514 177.8450 112 N 4.3938 8.2040 116.3599 56.4209 38.6082 176.9533 113 L 3.6509 7.9290 121.1133 57.4772 42.3007 178.5623 114 L 3.8721 8.0666 120.5031 58.3714 42.2750 178.5651 115 D 4.4140 8.1598 118.8085 57.5601 40.6978 178.4896 116 L 4.0301 7.8850 120.7058 58.0161 42.1074 178.8585 117 T 3.7823 7.9587 109.2871 65.1848 68.7562 175.6425 118 C 3.8769 7.8535 120.2273 62.5203 28.0179 176.0999 119 Q 3.9986 7.6949 118.6358 59.5372 28.7972 178.2232 120 T 4.0190 8.4908 116.8922 66.9566 68.1171 176.6392 121 V 3.7369 8.1492 119.6935 65.9350 31.2763 177.4253 122 A 4.2455 8.1480 119.5055 53.8984 17.5857 178.6315 123 D 4.4815 8.2420 117.3197 56.4808 40.9606 178.0764 124 M 4.3407 7.6522 117.1056 56.9222 31.9630 177.3498 125 I 4.3985 7.4049 119.7543 61.0480 38.6903 176.0457 126 K 3.8316 6.8472 115.4704 58.4483 32.5389 175.2357 127 G 4.3643 9.1458 114.7579 45.6396 0.0000 174.3050 128 K 4.8668 7.3677 117.1042 55.6748 32.7144 177.5273 129 T 4.2684 8.4050 111.7010 60.7357 71.1354 173.6999 130 P 4.2307 0.0000 0.0000 66.0041 31.1505 178.5473 131 E 4.0153 8.1051 117.4306 59.0959 29.7224 178.2588 132 E 3.9572 8.3874 118.7903 59.4780 29.5366 179.2970 133 I 3.8037 8.1118 119.9095 64.6448 37.2921 178.3682 134 R 4.0388 8.0644 118.6547 59.8727 29.9451 179.0545 135 T 3.8410 8.2027 115.5380 67.0673 68.3368 176.8756 136 T 3.8440 8.1603 110.4666 63.7301 68.6904 174.8610 137 F 4.6377 7.8371 118.0309 56.2181 40.0199 175.2815 138 N 4.1299 7.6632 118.2105 54.4770 37.3404 173.7650 139 I 4.3812 8.1837 119.7043 59.7617 39.3491 175.8998 140 K 4.3508 8.2700 125.2297 54.6664 33.3909 175.9028 141 N 4.5592 8.6095 124.7657 53.4141 37.7209 173.7575 142 D 4.6857 8.2640 123.7447 53.0972 40.1157 177.0579 143 F 4.5746 8.5680 119.8531 57.6844 39.7527 175.6824 144 T 4.3344 9.2887 115.3959 60.6953 71.0497 174.2327 145 P 4.2979 0.0000 0.0000 66.0532 31.2882 178.7955 146 E 3.9272 8.0487 116.5885 59.3350 29.6812 178.4833 147 E 3.9322 7.9236 118.0885 59.5803 29.6507 178.8199 148 E 3.2212 8.3609 119.3179 59.2713 29.5429 178.6393 149 E 3.7127 7.8424 118.4364 59.3479 29.8261 178.2629 150 E 3.9471 8.6620 119.5341 59.2922 29.6203 178.9101 151 V 3.6764 7.6742 118.1838 65.4584 31.4834 178.3503 152 R 3.7661 7.7306 118.0109 58.9779 29.8632 178.7263 153 R 2.8641 7.8666 118.2801 59.2531 29.9934 178.7412 154 E 3.8870 7.8127 117.2735 59.7358 29.3249 179.4204 155 N 4.4324 7.8696 114.6368 55.7574 38.6143 176.6444 156 Q 4.3884 7.9392 118.1102 56.9338 29.8661 176.9292 157 W 4.6673 8.3089 118.9227 58.2058 29.9232 176.9190 158 A 4.1958 7.9238 118.7292 52.5694 19.8981 176.5890 159 F 4.9649 8.1399 113.9680 57.1171 41.2022 175.4495 160 E 4.3301 9.1808 124.0614 56.5894 28.6728 174.9127 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 5 K 8.31 4.57 0.00 1.66 1.98 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 8.88 4.46 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 1.12 0.83 0.92 0.00 0.00 7 V 9.10 4.81 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 1.13 0.00 0.00 0.95 0.00 0.00 8 L 8.70 5.04 0.00 1.69 1.55 0.88 0.53 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 9 K 8.76 4.45 0.00 1.78 1.82 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.42 7.81 10 S 8.69 4.46 0.00 3.94 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 11 S 8.52 4.67 0.00 4.19 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 12 D 8.50 4.20 0.00 2.81 2.75 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 13 G 8.46 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.76 4.55 0.00 2.13 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 2.51 0.00 15 S 8.62 4.68 0.00 3.73 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 16 F 8.91 4.61 0.00 3.17 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 17 E 8.94 4.40 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 18 V 8.63 4.68 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 0.80 0.00 0.00 1.05 0.00 0.00 19 E 8.70 4.35 0.00 2.06 1.87 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 2.39 2.35 0.00 20 E 8.21 3.84 0.00 2.06 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 2.37 2.45 0.00 21 A 7.72 4.13 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 22 V 7.64 3.66 2.19 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 1.05 0.00 0.00 0.90 0.00 0.00 23 A 7.85 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.33 4.32 0.00 1.65 1.70 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.81 4.29 0.00 2.05 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 2.34 2.46 0.00 26 S 7.53 4.38 0.00 3.90 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 27 Q 8.61 4.16 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 28 T 7.77 4.02 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 1.09 0.00 0.00 29 I 7.64 3.91 2.03 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 1.14 0.78 0.88 0.00 0.00 30 A 8.14 4.01 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 31 H 8.05 4.44 0.00 3.25 3.33 0.00 5.60 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 32 M 7.81 4.83 0.00 2.19 2.12 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 2.47 2.46 0.00 33 V 7.76 4.35 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 0.81 0.00 0.00 0.96 0.00 0.00 34 E 7.45 4.17 0.00 1.97 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 2.32 2.26 0.00 35 D 8.36 4.53 0.00 2.77 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 36 D 6.91 4.53 0.00 2.85 2.99 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 37 C 8.35 4.35 0.00 3.02 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 38 V 7.78 3.68 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 1.08 0.00 0.00 0.93 0.00 0.00 39 D 8.26 4.39 0.00 2.69 2.75 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 40 N 8.20 4.85 0.00 2.70 2.79 0.00 0.00 7.09 7.05 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 41 G 8.15 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 0.00 0.00 0.00 42 V 8.36 3.83 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 0.83 0.00 0.00 0.91 0.00 0.00 43 P 0.00 4.86 0.00 2.11 2.13 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 44 L 8.70 4.90 0.00 1.87 1.78 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.83 0.00 2.20 2.21 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 46 N 8.04 4.73 0.00 1.66 1.96 0.00 0.00 6.64 7.56 0.00 0.00 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 7.55 4.29 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 1.05 0.00 0.00 1.25 0.00 0.00 48 T 8.31 4.29 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 1.29 0.00 0.00 49 S 8.72 4.22 0.00 4.44 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.15 3.96 0.00 1.91 1.83 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.58 7.81 51 I 7.64 3.79 2.01 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 1.53 0.79 0.93 0.00 0.00 52 L 8.13 3.80 0.00 1.65 1.42 0.75 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.83 4.01 1.62 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 54 K 7.74 4.15 0.00 2.11 2.10 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.55 7.81 55 V 8.11 3.74 2.25 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 1.09 0.00 0.00 1.01 0.00 0.00 56 I 8.09 3.73 2.04 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.97 0.00 0.00 57 E 8.49 3.97 0.00 2.19 2.35 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 2.71 2.59 0.00 58 Y 7.90 3.96 0.00 2.82 3.14 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 0.00 59 C 8.33 4.03 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.41 3.71 0.00 1.95 1.91 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 R 7.30 3.56 0.00 0.93 1.49 0.00 2.57 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 62 H 7.58 4.07 0.00 2.89 3.17 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.76 3.72 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 0.98 0.00 0.00 0.99 0.00 0.00 64 E 7.53 4.14 0.00 2.01 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 2.24 2.25 0.00 65 A 7.52 4.58 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 66 A 7.67 3.88 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 67 A 7.70 3.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.27 4.40 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *80 D 8.53 4.68 0.00 2.73 2.77 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 81 D 8.05 4.36 0.00 2.76 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 D 8.00 4.65 0.00 2.75 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 83 L 7.89 4.00 0.00 1.91 1.74 0.78 0.65 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 84 K 8.23 4.06 0.00 1.85 1.93 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.57 7.81 85 A 7.46 4.01 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 86 W 8.29 4.18 0.00 3.48 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 87 D 9.14 4.50 0.00 2.98 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 88 A 7.78 4.03 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 89 D 8.10 4.34 0.00 2.93 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 90 F 7.82 4.06 0.00 2.15 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 91 M 7.39 4.05 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 92 K 7.23 4.26 0.00 1.84 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.48 7.81 93 I 6.85 4.49 1.69 0.00 0.00 0.56 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 0.47 0.72 0.00 0.00 94 D 7.98 4.61 0.00 2.77 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 95 Q 8.39 3.34 0.00 1.86 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 96 A 7.72 3.87 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 97 T 7.39 3.96 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 1.09 0.00 0.00 98 L 7.65 3.82 0.00 1.62 1.45 0.84 0.98 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 99 F 7.91 4.51 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 0.00 100 E 8.11 4.05 0.00 2.07 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 2.54 2.50 0.00 101 L 7.77 4.02 0.00 1.92 1.66 0.65 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.74 3.67 2.07 0.00 0.00 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 1.54 1.18 0.91 0.00 0.00 103 L 8.17 4.01 0.00 1.84 1.72 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.96 4.14 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 3.97 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 0.00 106 N 8.14 4.31 0.00 2.89 2.90 0.00 0.00 7.17 6.86 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 0.00 107 Y 8.18 4.48 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 0.00 108 L 8.07 4.60 0.00 1.65 1.38 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.32 4.97 0.00 2.62 2.76 0.00 0.00 6.75 7.94 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 0.00 110 I 7.77 4.26 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 1.04 0.00 0.00 111 K 8.45 3.95 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.55 7.81 112 N 8.20 4.39 0.00 3.01 2.94 0.00 0.00 6.80 6.74 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 0.00 113 L 7.93 3.65 0.00 1.50 1.73 0.33 0.49 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 0.00 114 L 8.07 3.87 0.00 1.95 1.65 0.98 1.12 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 0.00 115 D 8.16 4.41 0.00 2.97 2.75 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 0.00 116 L 7.88 4.03 0.00 1.92 1.73 1.01 1.05 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 0.00 117 T 7.96 3.78 4.22 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 1.14 0.00 0.00 118 C 7.85 3.88 0.00 3.14 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 0.00 119 Q 7.69 4.00 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 120 T 8.49 4.02 4.46 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 1.21 0.00 0.00 121 V 8.15 3.74 2.27 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 1.09 0.00 0.00 1.25 0.00 0.00 122 A 8.15 4.25 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 0.00 123 D 8.24 4.48 0.00 2.88 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 0.00 124 M 7.65 4.34 0.00 2.03 2.51 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.61 0.00 125 I 7.40 4.40 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.28 0.96 0.00 0.00 126 K 6.85 3.83 0.00 1.77 1.81 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.61 7.81 127 G 9.15 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 0.00 0.00 0.00 0.00 128 K 7.37 4.87 0.00 1.81 1.80 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.68 1.69 7.81 129 T 8.41 4.27 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 0.00 130 P 0.00 4.23 0.00 2.19 2.20 0.00 3.59 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 131 E 8.11 4.02 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 132 E 8.39 3.96 0.00 2.28 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 2.33 2.37 0.00 133 I 8.11 3.80 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.24 1.14 0.00 0.00 134 R 8.06 4.04 0.00 2.07 2.19 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 135 T 8.20 3.84 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 1.19 0.00 0.00 136 T 8.16 3.84 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 1.13 0.00 0.00 137 F 7.84 4.64 0.00 3.11 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 0.00 138 N 7.66 4.13 0.00 2.78 2.83 0.00 0.00 7.03 8.10 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 0.00 139 I 8.18 4.38 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.00 0.90 0.00 0.00 140 K 8.27 4.35 0.00 1.71 1.69 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.41 7.81 141 N 8.61 4.56 0.00 2.80 2.82 0.00 0.00 7.07 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.26 4.69 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.57 4.57 0.00 3.24 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 0.00 144 T 9.29 4.33 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 1.27 0.00 0.00 145 P 0.00 4.30 0.00 2.17 2.18 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 146 E 8.05 3.93 0.00 2.06 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 2.40 2.45 0.00 147 E 7.92 3.93 0.00 2.47 2.24 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 2.43 2.40 0.00 148 E 8.36 3.22 0.00 1.76 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 2.10 1.88 0.00 149 E 7.84 3.71 0.00 2.21 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 2.14 2.22 0.00 150 E 8.66 3.95 0.00 2.13 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 0.00 2.30 2.33 0.00 151 V 7.67 3.68 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 0.87 0.00 0.00 0.96 0.00 0.00 152 R 7.73 3.77 0.00 1.78 1.71 0.00 3.07 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 1.48 1.63 0.00 153 R 7.87 2.86 0.00 1.81 1.73 0.00 2.62 0.00 0.00 2.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.00 154 E 7.81 3.89 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 155 N 7.87 4.43 0.00 2.88 2.87 0.00 0.00 7.03 7.11 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 0.00 156 Q 7.94 4.39 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 157 W 8.31 4.67 0.00 3.39 3.02 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 0.00 158 A 7.92 4.20 0.36 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 0.00 159 F 8.14 4.96 0.00 3.01 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 0.00 160 E 9.18 4.33 0.00 2.08 2.37 0.00 0.00 0.00 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 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.