NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 C 4.5946 8.2033 118.3800 58.9894 29.9926 174.7017 5 E 3.7266 7.8332 118.4715 59.5181 28.9592 177.7406 6 F 4.1359 8.5563 120.0505 61.7843 40.1354 177.5461 7 G 3.9321 8.5325 104.6429 48.1436 0.0000 174.7960 8 Y 3.8897 8.3030 121.7263 60.5221 38.8332 178.1372 9 I 3.5782 7.7783 120.4297 64.2960 37.1204 177.6152 10 Y 3.7617 8.1408 120.8583 60.7574 38.6101 178.3094 11 R 3.7301 8.3292 119.8005 59.2592 30.1181 178.5593 12 L 3.6397 7.5435 118.5300 57.6394 41.5966 179.2953 13 A 4.3022 8.5272 121.0578 55.2529 18.3515 179.4967 14 Q 3.8646 7.9554 119.8076 58.6222 28.8219 178.0555 15 D 4.2654 7.8336 119.3509 57.3002 41.2395 177.7349 16 Y 4.1589 8.0578 120.3845 60.5350 38.7603 178.0325 17 L 3.8773 7.7620 120.1706 58.2388 40.6299 178.6931 18 Q 4.1885 7.6145 118.1866 56.0750 28.3969 178.2871 *20 V 3.7319 7.7875 121.2831 62.9862 33.0844 176.4796 21 L 4.1691 7.9561 116.5174 54.0281 41.7006 176.9391 22 Q 3.2067 7.1595 116.4524 57.0852 26.6143 174.0693 23 I 4.5524 7.9576 109.2753 57.9298 40.7068 174.3433 24 P 4.1319 0.0000 0.0000 62.0981 31.7531 174.0935 *30 P 4.1149 0.0000 0.0000 62.1407 32.4004 176.8328 31 S 4.3866 8.0316 114.5715 57.6588 65.1231 175.1132 32 K 3.8485 8.5557 122.5015 60.0741 31.8208 178.3921 33 T 4.0300 8.0812 115.3403 67.1164 68.3570 176.1295 34 S 3.9521 7.6507 113.5037 61.3704 62.3344 176.4756 35 R 3.8893 8.2170 120.8895 59.1690 29.8378 179.1251 36 V 3.6405 8.2573 118.4929 65.8669 31.3978 177.7822 37 L 3.9945 8.5023 120.3893 58.3503 41.8748 178.6770 38 Q 4.3341 8.2557 118.2557 59.2180 28.5594 178.8276 39 N 4.4137 8.0794 117.4853 56.7904 39.0818 177.3702 40 V 3.7139 7.9072 120.3966 64.7475 31.5750 178.1793 41 A 3.9344 8.9520 122.7631 54.7672 18.1207 179.4043 42 F 4.6967 8.6608 120.7311 60.9342 39.3366 177.3281 43 S 4.0148 8.0610 113.0519 61.3971 62.1318 176.3886 44 V 3.5922 7.8575 120.9999 65.7910 31.2244 177.6839 45 Q 3.9638 8.2110 119.6295 59.2389 28.7794 178.5314 46 K 3.7817 7.5863 119.3715 59.4078 32.0260 178.9779 47 E 3.9122 7.8865 119.7215 59.1453 29.4718 179.0800 48 V 3.6015 8.1468 118.7275 65.9963 30.9487 177.6975 49 E 3.9842 8.5892 119.0802 59.3826 29.0836 179.5441 50 K 4.2850 7.6166 117.7213 59.9165 33.0202 178.7496 51 N 4.5494 7.9349 116.3900 55.1573 38.5168 176.4744 52 L 4.5915 8.0511 118.7835 55.0523 42.1606 178.0057 53 K 3.6276 7.6404 117.6040 60.7377 30.3449 177.6469 54 S 4.2318 8.2745 113.1672 61.9610 62.1280 176.3414 55 C 4.3960 7.8783 121.0927 62.3211 31.1171 175.4685 56 L 3.8589 7.7592 119.2839 57.4364 41.3868 178.6371 57 D 4.5919 7.6298 118.8385 56.9565 40.4239 177.2444 58 N 4.9662 7.4084 114.8108 52.7461 37.4551 174.8097 59 V 4.2882 7.5767 117.8592 61.9669 34.1773 174.1104 60 N 4.9470 8.7976 124.7915 51.7957 39.3820 175.4266 61 V 4.0275 8.5836 125.3615 61.9021 30.1999 176.3564 62 V 4.4079 8.1318 116.4391 60.9205 32.6723 175.7437 63 S 4.8995 7.3754 114.0204 56.0870 66.9584 175.0888 64 V 3.7702 8.3506 121.1456 65.9723 31.2279 177.7429 65 D 4.3588 8.0777 118.4613 57.7051 40.7322 178.6828 66 T 3.8739 7.8788 115.6082 66.4693 68.3610 176.5836 67 A 4.0572 8.0293 122.7189 55.2979 18.4697 179.7101 68 R 2.5100 8.3513 117.5206 59.3112 30.0481 178.9343 69 T 3.8421 7.9520 115.6169 66.5477 68.4736 176.5560 70 L 4.0203 8.3812 122.7635 57.8913 42.1211 178.7200 71 F 4.4301 8.5453 120.8446 61.6378 39.4092 176.8110 72 N 4.1945 8.3267 116.0165 56.3391 38.3293 177.5255 73 Q 3.8867 8.1503 119.3287 58.8744 28.8647 178.8660 74 V 3.3142 7.6363 119.1605 66.2428 31.5039 177.9562 75 M 3.6224 7.7573 118.6504 57.9613 31.5730 178.3729 76 E 3.9976 8.0939 119.5539 59.2568 29.6510 178.7917 77 K 3.8741 7.6888 118.2410 59.4264 32.2702 178.0234 78 E 3.7995 7.9189 118.6688 58.5700 29.8593 177.8763 79 F 4.6637 8.0196 115.5369 57.2643 39.1799 177.4004 80 E 4.1461 7.9538 118.4723 58.8766 29.3351 177.8385 81 D 4.6147 7.9287 117.8465 53.3144 40.0032 177.2253 82 G 3.9637 8.1612 108.4991 45.8145 0.0000 173.9079 83 I 4.1254 7.8531 121.0707 60.4731 37.9701 175.4707 84 I 4.4576 7.8531 124.8610 58.7389 40.4715 174.8060 85 N 4.1140 7.7243 121.0747 49.9474 41.5279 175.3894 86 W 4.8314 8.9352 120.7767 59.9821 28.9211 178.8969 87 G 3.9098 8.5252 104.4999 48.1966 0.0000 175.4922 88 R 4.0950 8.8860 121.2962 58.9204 29.9116 179.2906 89 I 3.9967 8.0210 119.7478 64.3473 37.0891 178.6537 90 V 3.8405 8.2485 119.6607 66.1208 31.2884 178.1087 91 T 4.0990 7.8583 109.3755 64.2044 68.5292 176.7514 92 I 3.8116 7.6313 123.3590 64.5339 37.1784 178.2617 93 F 4.0299 8.2086 117.9455 60.1977 38.7426 177.3281 94 A 4.1235 8.0628 120.4767 55.4031 18.2138 179.4511 95 F 4.2093 8.6827 119.3460 61.5054 39.3987 176.9028 96 E 4.0876 8.6869 119.2445 59.1591 29.5291 179.0820 97 G 4.2966 8.3712 107.3105 47.3786 0.0000 175.8578 98 I 3.7427 7.7463 122.1857 64.0331 37.0546 178.5457 99 L 3.8481 7.7594 119.9366 57.7379 41.4003 179.3700 100 I 3.6880 7.8510 118.6136 63.8919 37.3365 178.0750 101 K 3.9018 7.8595 118.9204 59.5270 31.8652 179.5479 102 K 4.0299 8.0444 118.7268 59.1917 31.8888 179.2783 103 L 4.2360 8.3585 122.5656 57.5686 41.8321 178.6061 104 L 4.0582 8.0922 119.6855 58.1082 41.9818 178.4499 105 R 4.1764 7.5687 116.4976 58.3627 30.5972 177.4916 106 Q 4.5454 8.3780 116.5513 54.9902 29.2584 175.1242 107 Q 4.3060 8.0349 122.1536 56.2403 29.3618 175.9714 108 I 3.7850 8.6796 127.1598 64.0837 37.2705 177.0917 109 A 4.5772 7.4987 124.1870 49.0754 17.9616 172.4555 110 P 4.3456 0.0000 0.0000 62.5757 30.5871 174.4939 111 D 4.5166 7.8147 119.3044 52.1889 40.3983 177.1674 112 V 3.5576 8.0523 122.4970 63.1755 31.1555 175.5052 113 D 4.6927 8.5706 117.7877 53.0180 41.5370 176.2618 114 T 4.4146 6.9387 107.6316 61.6733 70.1506 174.0311 115 Y 4.4114 7.0601 119.3056 60.4516 38.0937 177.5189 116 K 4.1509 7.9761 119.3058 58.7954 32.4194 178.5474 117 E 4.1313 7.9857 119.4067 58.9207 29.5326 178.9258 118 I 2.0000 7.4522 119.5973 63.9493 37.1151 178.3629 119 S 3.8536 7.5382 115.9353 61.3504 62.4038 176.3004 120 Y 4.3207 7.8513 122.2397 60.7931 38.7411 177.9448 121 F 4.5729 7.9947 115.0548 59.2038 38.1285 177.8304 122 V 3.3641 7.3716 119.3376 65.7650 31.3429 177.6251 123 A 3.7493 7.7702 120.4940 55.0491 18.1031 178.8776 124 E 4.0437 8.2875 118.1931 59.6317 29.6190 178.9192 125 F 4.0189 8.4659 120.2057 61.3611 39.4810 176.8957 126 I 3.5819 7.9735 119.3618 64.6872 37.0462 177.7776 127 M 4.0433 8.4558 119.0029 59.1565 31.9146 178.1195 128 N 4.4318 8.0792 114.9920 55.2261 38.8073 176.1721 129 N 4.6647 7.7133 115.8036 52.9991 40.3815 175.1727 130 T 4.4789 7.9773 107.7646 59.6923 70.8719 175.7619 131 G 3.7910 8.0791 110.0531 48.4097 0.0000 175.6845 132 E 3.9678 8.0728 120.3096 58.8166 29.6300 179.0091 133 W 3.8720 8.0993 127.9412 60.2872 30.7273 177.7230 134 I 3.3281 8.2727 120.2243 64.3102 36.6231 178.1252 135 R 3.8176 7.7556 119.1547 59.8025 29.7448 178.6389 136 Q 4.0033 7.8437 115.6723 57.8211 28.7516 177.4410 137 N 4.5904 7.3997 117.0872 52.6016 39.1172 176.0460 138 G 3.9663 7.7744 108.6407 44.3016 0.0000 176.0479 139 G 4.2798 8.3762 110.1912 44.7850 0.0000 174.4615 140 W 4.1227 8.6800 116.7847 60.0054 29.9468 178.8111 141 E 4.0756 8.5340 117.5751 59.0928 29.0428 178.0125 142 N 4.7684 8.0468 112.5732 53.1837 38.6624 175.3426 143 G 4.2826 7.0721 103.7670 44.7779 0.0000 174.8024 144 F 2.6827 7.5513 121.3963 60.0452 39.6495 177.8676 145 V 3.3574 8.2185 117.8307 66.0552 31.1153 178.2453 146 K 4.0162 7.0939 115.5142 59.3491 31.9276 178.8995 147 K 3.8702 7.4527 118.8089 58.1966 32.2155 177.8699 148 F 4.4824 7.3558 115.1914 55.9703 40.1442 175.7812 149 E 4.1553 7.3857 116.9970 55.0881 30.1719 175.3040 150 P 4.3946 0.0000 0.0000 63.1230 31.3338 176.4926 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 C 8.20 4.59 0.00 3.09 3.17 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 0.00 0.00 0.00 0.00 5 E 7.83 3.73 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 6 F 8.56 4.14 0.00 3.21 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 7 G 8.53 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.30 3.89 0.00 3.25 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 9 I 7.78 3.58 1.87 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.96 0.95 0.00 0.00 10 Y 8.14 3.76 0.00 2.88 3.19 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 11 R 8.33 3.73 0.00 1.95 1.82 0.00 3.08 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 12 L 7.54 3.64 0.00 1.60 1.10 -0.50 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.53 4.30 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 14 Q 7.96 3.86 0.00 1.53 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 15 D 7.83 4.27 0.00 2.70 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 16 Y 8.06 4.16 0.00 3.06 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 17 L 7.76 3.88 0.00 1.78 1.81 0.78 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.61 4.19 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.43 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 *20 V 7.79 3.73 1.91 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 0.91 0.00 0.00 0.40 0.00 0.00 21 L 7.96 4.17 0.00 1.49 1.46 0.10 0.76 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 22 Q 7.16 3.21 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.59 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 23 I 7.96 4.55 1.83 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 1.32 0.59 0.92 0.00 0.00 24 P 0.00 4.13 0.00 2.03 2.00 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 *30 P 0.00 4.11 0.00 2.13 2.02 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 31 S 8.03 4.39 0.00 4.09 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 32 K 8.56 3.85 0.00 1.87 1.90 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.57 7.81 33 T 8.08 4.03 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 34 S 7.65 3.95 0.00 3.71 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 35 R 8.22 3.89 0.00 2.06 1.97 0.00 3.23 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 36 V 8.26 3.64 2.42 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 0.93 0.00 0.00 1.04 0.00 0.00 37 L 8.50 3.99 0.00 1.48 1.53 0.21 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.26 4.33 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 39 N 8.08 4.41 0.00 2.81 3.12 0.00 0.00 7.03 8.52 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 40 V 7.91 3.71 2.13 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 0.80 0.00 0.00 0.90 0.00 0.00 41 A 8.95 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.66 4.70 0.00 3.50 3.26 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 43 S 8.06 4.01 0.00 3.95 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 44 V 7.86 3.59 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 1.06 0.00 0.00 1.03 0.00 0.00 45 Q 8.21 3.96 0.00 2.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 46 K 7.59 3.78 0.00 1.80 1.71 0.00 1.64 0.00 0.00 1.43 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.10 0.63 7.81 47 E 7.89 3.91 0.00 1.97 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 2.31 2.31 0.00 48 V 8.15 3.60 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 1.15 0.00 0.00 1.02 0.00 0.00 49 E 8.59 3.98 0.00 2.14 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 0.00 2.34 2.56 0.00 50 K 7.62 4.28 0.00 1.85 1.92 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.47 7.81 51 N 7.93 4.55 0.00 2.72 2.91 0.00 0.00 6.99 8.64 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 52 L 8.05 4.59 0.00 1.76 1.68 0.94 0.54 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 53 K 7.64 3.63 0.00 2.27 1.71 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 54 S 8.27 4.23 0.00 3.93 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 55 C 7.88 4.40 0.00 3.03 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 56 L 7.76 3.86 0.00 1.73 1.75 0.98 1.06 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 57 D 7.63 4.59 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 58 N 7.41 4.97 0.00 2.67 2.91 0.00 0.00 6.70 7.55 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 59 V 7.58 4.29 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 0.86 0.00 0.00 0.96 0.00 0.00 60 N 8.80 4.95 0.00 2.75 2.75 0.00 0.00 7.04 7.68 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 61 V 8.58 4.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 62 V 8.13 4.41 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 63 S 7.38 4.90 0.00 4.01 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 64 V 8.35 3.77 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 1.21 0.00 0.00 0.98 0.00 0.00 65 D 8.08 4.36 0.00 2.74 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 66 T 7.88 3.87 4.39 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 0.00 0.00 1.30 0.00 0.00 67 A 8.03 4.06 1.57 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 68 R 8.35 2.51 0.00 1.43 1.89 0.00 3.13 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.95 0.00 69 T 7.95 3.84 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 1.21 0.00 0.00 70 L 8.38 4.02 0.00 1.84 1.96 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.55 4.43 0.00 3.41 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 72 N 8.33 4.19 0.00 2.79 2.88 0.00 0.00 7.13 7.49 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 73 Q 8.15 3.89 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 74 V 7.64 3.31 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 0.12 0.00 0.00 0.78 0.00 0.00 75 M 7.76 3.62 0.00 0.51 0.93 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.09 0.00 76 E 8.09 4.00 0.00 2.09 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 0.00 2.31 2.35 0.00 77 K 7.69 3.87 0.00 1.69 1.83 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.37 7.81 78 E 7.92 3.80 0.00 1.64 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 1.47 1.77 0.00 79 F 8.02 4.66 0.00 3.35 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 80 E 7.95 4.15 0.00 2.14 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 0.00 2.54 2.29 0.00 81 D 7.93 4.61 0.00 2.80 2.78 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 82 G 8.16 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.85 4.13 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.57 0.84 0.00 0.00 84 I 7.85 4.46 0.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.48 -0.14 0.00 0.00 85 N 7.72 4.11 0.00 2.98 2.78 0.00 0.00 6.27 8.88 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 86 W 8.94 4.83 0.00 3.85 3.83 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 87 G 8.53 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 88 R 8.89 4.10 0.00 2.00 1.92 0.00 3.05 0.00 0.00 2.52 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.73 0.00 89 I 8.02 4.00 2.33 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 1.44 0.00 0.00 90 V 8.25 3.84 2.34 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 1.03 0.00 0.00 0.88 0.00 0.00 91 T 7.86 4.10 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 1.26 0.00 0.00 92 I 7.63 3.81 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.04 1.02 0.00 0.00 93 F 8.21 4.03 0.00 2.95 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.06 4.12 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 4.21 0.00 3.27 3.38 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 96 E 8.69 4.09 0.00 2.09 2.29 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 2.41 2.26 0.00 97 G 8.37 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 98 I 7.75 3.74 1.72 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.86 0.81 0.00 0.00 99 L 7.76 3.85 0.00 1.76 1.71 1.19 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.85 3.69 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.10 0.82 0.00 0.00 101 K 7.86 3.90 0.00 2.02 1.82 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.58 7.81 102 K 8.04 4.03 0.00 1.91 2.05 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.54 7.81 103 L 8.36 4.24 0.00 1.92 1.89 1.00 0.51 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 0.00 104 L 8.09 4.06 0.00 1.64 1.84 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.57 4.18 0.00 1.85 1.93 0.00 3.35 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 106 Q 8.38 4.55 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 107 Q 8.03 4.31 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 108 I 8.68 3.78 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.92 0.00 0.00 109 A 7.50 4.58 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 0.00 110 P 0.00 4.35 0.00 2.05 2.09 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.30 0.00 111 D 7.81 4.52 0.00 2.68 2.46 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 0.00 112 V 8.05 3.56 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 0.96 0.00 0.00 0.96 0.00 0.00 113 D 8.57 4.69 0.00 2.43 2.55 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 0.00 114 T 6.94 4.41 4.18 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 1.21 0.00 0.00 115 Y 7.06 4.41 0.00 3.00 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 0.00 116 K 7.98 4.15 0.00 1.84 2.05 0.00 1.98 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.51 7.81 117 E 7.99 4.13 0.00 2.08 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 2.30 2.54 0.00 118 I 7.45 2.00 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.93 0.51 0.00 0.00 119 S 7.54 3.85 0.00 3.60 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 0.00 120 Y 7.85 4.32 0.00 3.53 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 0.00 121 F 7.99 4.57 0.00 3.36 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 0.00 122 V 7.37 3.36 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 0.71 0.00 0.00 0.33 0.00 0.00 123 A 7.77 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.29 4.04 0.00 2.06 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 2.52 2.48 0.00 125 F 8.47 4.02 0.00 3.61 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.97 3.58 2.07 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.92 1.15 0.00 0.00 127 M 8.46 4.04 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.88 0.00 128 N 8.08 4.43 0.00 2.75 2.80 0.00 0.00 7.02 8.16 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 0.00 129 N 7.71 4.66 0.00 1.48 2.15 0.00 0.00 6.74 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 0.00 130 T 7.98 4.48 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 0.64 0.00 0.00 131 G 8.08 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 0.00 132 E 8.07 3.97 0.00 2.03 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 2.39 2.36 0.00 133 W 8.10 3.87 0.00 3.32 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 0.00 134 I 8.27 3.33 2.08 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 0.96 0.66 0.80 0.00 0.00 135 R 7.76 3.82 0.00 1.98 2.04 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 136 Q 7.84 4.00 0.00 1.71 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.11 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 137 N 7.40 4.59 0.00 1.44 2.04 0.00 0.00 7.04 7.95 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 0.00 138 G 7.77 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 0.00 0.00 0.00 139 G 8.38 4.28 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 0.00 140 W 8.68 4.12 0.00 3.49 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 0.00 141 E 8.53 4.08 0.00 2.09 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 2.56 2.39 0.00 142 N 8.05 4.77 0.00 2.92 2.85 0.00 0.00 6.80 8.57 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 0.00 143 G 7.07 4.28 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 0.00 144 F 7.55 2.68 0.00 1.51 2.93 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 0.00 145 V 8.22 3.36 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 1.01 0.00 0.00 1.19 0.00 0.00 146 K 7.09 4.02 0.00 1.74 1.80 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.63 7.81 147 K 7.45 3.87 0.00 1.55 1.73 0.00 1.92 0.00 0.00 1.90 0.00 0.00 3.32 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 1.06 7.81 148 F 7.36 4.48 0.00 2.10 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 0.00 149 E 7.39 4.16 0.00 2.04 2.05 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 2.26 2.23 0.00 150 P 0.00 4.39 0.00 2.06 2.02 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.