NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2622 8.1593 117.3761 63.6914 69.4419 172.9460 3 T 4.2339 8.3868 117.9670 58.8050 69.5615 172.3480 4 P 4.6261 0.0000 0.0000 62.9461 34.6502 175.6443 5 S 4.3745 9.1026 118.0013 59.2354 61.5550 175.6758 *7 E 4.2316 9.3559 118.5698 56.3175 31.7473 177.3376 8 D 4.4507 8.0372 118.3916 57.7612 40.5939 178.4783 9 Y 3.8630 8.4661 117.1742 60.9857 37.8749 178.1843 10 I 3.8533 7.9295 120.0733 64.7520 37.0691 177.7282 11 E 3.9339 8.2966 118.5896 59.5162 29.5101 178.3887 12 Q 4.1145 7.9923 118.2646 59.3032 28.9110 177.9797 13 I 3.9904 8.7491 121.4369 63.9459 36.9550 176.9039 14 Y 4.2393 8.0372 119.3817 58.3227 38.5160 176.7879 *16 L 4.1544 7.8379 120.3704 54.4896 44.0832 179.3028 17 I 3.5568 7.4219 118.2158 64.5609 36.8169 178.4822 18 E 3.9284 7.9345 117.7933 59.4292 29.2267 177.9018 19 E 4.1445 7.8436 118.7319 58.3974 29.9280 177.7994 20 K 3.9789 8.0003 121.1800 58.0498 32.5142 178.3517 21 G 4.5844 8.5289 104.7450 44.9840 0.0000 172.2019 22 Y 4.9074 6.4711 115.4910 55.8332 41.5126 174.7231 23 A 4.5919 8.6319 120.6176 50.2535 21.3924 175.3430 24 R 4.4939 8.6112 119.9859 56.4323 31.6201 178.2674 25 V 3.6709 8.7205 121.4728 66.2709 31.5058 178.5302 26 S 4.1590 8.1812 114.4015 62.0187 62.7281 176.4355 27 D 4.4166 8.1219 120.8044 57.1518 40.5418 178.6723 28 I 3.6313 7.9325 120.2612 64.2622 37.1407 178.0768 29 A 3.9355 7.9571 121.4420 55.3708 18.0682 179.0714 30 E 3.8604 7.9815 116.1053 59.5697 29.6288 178.7412 31 A 4.1727 8.0146 119.8672 54.3711 18.7239 178.6123 32 L 4.2627 7.9585 114.3023 53.1503 43.2618 176.6210 33 A 3.7696 7.8306 121.1628 52.9528 16.1214 175.6210 34 V 4.5842 6.9758 112.7713 59.5204 36.8762 174.9111 35 H 4.6696 8.6972 117.7673 54.8983 29.7402 174.8550 36 P 4.2359 0.0000 0.0000 65.9568 31.0088 178.4520 37 S 4.2120 8.2126 110.9473 61.9504 62.7158 176.3621 38 S 4.1995 8.6974 118.6871 61.2129 62.4112 176.3894 39 V 3.9447 7.7876 120.9272 66.0792 31.3943 177.6389 40 T 3.7195 8.3948 115.2488 66.5435 67.7192 176.5660 41 K 4.1048 7.8716 116.1876 57.6313 31.6378 178.7731 *43 V 3.9472 7.7178 121.3711 62.8717 33.4013 177.5728 44 Q 4.0398 7.5800 118.6822 58.6269 28.6324 178.4886 45 K 4.0316 7.7028 118.7840 59.1445 32.0222 179.4384 46 L 4.2151 7.6832 119.1539 57.4605 41.6236 178.7638 47 D 4.8480 8.1323 119.5257 56.9030 41.0521 178.0125 48 K 3.9416 7.9695 118.7774 59.5384 32.1780 177.3880 49 D 4.5193 7.7512 115.6311 53.3930 40.9802 176.0636 50 E 3.8127 8.2961 118.1077 57.7269 27.6850 175.0196 51 Y 4.4468 7.8129 116.9125 59.0175 38.7744 174.8143 52 L 4.8396 7.1986 118.8113 55.4143 43.5316 173.1111 53 I 5.0501 8.9838 119.7615 59.7209 39.8839 174.3526 54 Y 4.9966 9.1526 128.3419 55.6820 41.8771 174.2329 55 E 4.1050 7.8159 125.6385 53.6274 32.1928 174.1032 56 K 3.5169 7.6129 125.8386 57.7981 32.2599 175.3951 57 Y 4.2616 8.6466 123.2952 57.9040 36.1492 169.4843 58 R 4.4690 7.7698 118.0934 54.7324 31.6193 176.0830 59 G 4.0862 8.2392 106.5391 45.7829 0.0000 173.8046 60 L 4.7340 8.7281 122.3925 54.7313 42.8702 177.1893 61 V 4.5517 8.2307 113.5974 59.6931 35.5059 175.4714 62 L 4.6653 8.7426 125.4161 54.6316 42.7679 177.7924 63 T 4.4921 8.0358 112.2589 60.9095 72.4621 175.3161 64 S 4.1674 8.5223 114.5785 61.7949 63.0653 176.1119 65 K 4.1227 8.1043 122.9858 59.2391 32.0852 178.9507 66 G 4.4031 8.1857 107.4455 47.3660 0.0000 175.9286 67 K 4.3565 8.4764 120.9816 59.0446 31.9616 179.2763 68 K 3.8961 8.2726 119.9802 59.5942 32.1061 178.8329 69 I 3.7727 7.7412 119.4926 64.3182 37.0164 178.3022 70 G 3.5062 8.5366 106.7364 47.8265 0.0000 175.1947 71 K 3.1044 7.9530 122.8904 58.8930 32.3150 178.8116 72 R 4.0158 7.6756 118.7169 59.3447 29.9245 178.4896 73 L 4.2219 8.0164 119.1197 57.6120 41.6746 179.5145 74 V 3.6120 7.9736 118.5492 65.8705 31.3600 177.1875 75 Y 4.1572 8.2519 119.5271 60.9220 38.6279 178.1062 76 R 3.4314 7.9896 118.8534 59.6960 30.1129 177.6146 77 H 3.9048 8.2504 117.6835 59.3934 29.8651 176.7056 78 E 3.9922 8.7514 120.4846 59.4671 29.2876 179.3018 79 L 3.8211 7.8937 120.2635 58.1743 42.0579 178.9976 80 L 4.0370 7.7875 118.7615 57.7859 41.5549 179.2260 81 E 3.8677 8.0716 118.3971 59.5364 29.4405 178.9699 82 Q 3.9347 8.1178 119.3581 59.3799 28.9471 178.2508 83 F 4.2942 8.4733 121.5199 61.5947 39.3727 176.9697 84 L 3.2130 7.8365 118.3770 57.4350 41.3378 179.5510 85 R 3.7584 8.2920 118.8392 59.6146 29.8294 178.5882 86 I 3.6794 8.0605 118.6702 63.9856 37.0791 177.4188 87 I 3.9411 7.4139 111.8493 60.1611 37.9599 175.6541 88 G 3.6292 7.8311 107.0715 46.9791 0.0000 174.4845 89 V 3.8958 7.5639 118.6850 60.9638 32.7575 175.1912 90 D 4.3256 8.6438 126.0831 54.9887 41.5296 176.7791 91 E 3.9025 9.2147 124.8804 59.5584 29.3327 178.6256 92 E 4.1611 8.1823 114.2552 58.1962 29.7871 177.6871 93 K 4.4162 8.1453 119.1791 57.1785 33.3856 178.1847 94 I 3.6177 7.5769 120.6445 64.5032 36.9876 177.5021 95 Y 4.0581 7.9925 119.6166 60.7747 38.6193 177.8671 96 N 4.1065 8.0597 116.7033 56.3975 38.3335 176.7755 97 D 4.2876 8.0665 120.3487 57.4663 40.9249 179.4083 98 V 3.4389 7.8903 118.6133 66.1257 31.4265 178.0521 99 E 4.1325 8.0045 117.0326 58.5758 29.2454 178.7242 100 G 3.8172 7.9366 104.4587 45.1162 0.0000 174.1682 101 I 4.4122 7.1216 112.0053 60.6061 39.5458 177.3116 102 E 3.8330 8.2981 119.2625 59.2404 29.0031 177.5498 103 H 4.7569 7.9720 113.2633 56.1048 29.2407 174.7647 104 H 4.8682 8.6779 116.3919 55.1091 29.1802 173.3548 105 L 4.6953 7.5204 119.2857 52.3709 44.3537 176.8307 106 S 4.3292 8.3836 117.7667 57.8037 63.2823 175.3078 107 W 3.8563 8.8667 121.8587 59.7687 28.7461 178.0193 108 N 4.6690 7.8217 116.2348 57.1336 38.0325 177.0746 109 S 4.1107 8.0411 116.2812 61.3821 62.9094 176.5757 110 I 3.7375 7.4852 122.0234 64.4481 36.8155 177.8419 111 D 4.4784 9.4448 119.9405 57.6718 40.6996 179.3393 112 R 4.0528 7.9641 118.2932 59.3996 30.0076 179.2423 113 I 3.6100 8.7496 120.8133 63.8598 36.8973 178.8266 114 G 3.5991 8.4767 107.0416 48.0194 0.0000 175.3165 115 D 4.4562 8.4135 122.5294 56.8533 40.9487 178.7410 116 L 4.0294 8.2632 121.0218 58.3369 42.1254 179.0045 117 V 3.8020 8.1183 118.3715 66.2535 31.4870 177.6020 118 Q 4.0134 8.2119 119.0256 59.4046 28.6874 177.3245 119 Y 4.0050 7.8908 119.0899 61.2129 38.8528 178.3257 120 F 4.1416 8.3150 115.6575 59.6228 39.2199 176.8787 121 E 4.3844 8.2334 116.8489 56.9629 29.6638 176.6397 122 E 4.3902 7.5162 115.7268 55.6987 30.4339 175.6779 123 D 4.2476 7.3397 118.4671 52.7310 42.7634 175.4473 124 D 4.5017 8.7163 127.9273 56.8226 40.6980 178.3900 125 A 4.0233 8.6160 122.3224 55.1375 18.2286 179.8846 126 R 3.8842 7.9549 116.6578 59.2992 30.0273 179.3538 127 K 4.2424 8.1577 117.8565 59.3763 32.0690 179.1842 128 K 3.9420 8.2304 118.7006 59.7407 31.8356 178.8076 129 D 4.4188 8.0785 117.6012 57.5225 41.0800 178.5220 130 L 4.1503 8.3324 120.6205 58.1865 42.1744 178.6042 131 K 3.8225 8.4966 120.0012 59.7460 31.9649 178.5624 132 S 4.1466 8.3001 114.3061 61.6333 62.6693 176.6067 133 I 3.6587 7.7808 123.3292 64.2394 36.9502 177.9953 134 Q 3.9614 8.1905 119.7060 59.2034 28.4394 178.7690 135 K 3.9393 7.8413 118.5726 59.4607 32.3042 179.0648 136 K 4.0745 8.0852 118.5025 60.3850 32.0821 177.8675 137 T 3.9773 8.6082 116.9025 64.1668 68.2717 174.0903 138 E 4.2654 8.4994 125.5137 56.5627 29.7020 176.0386 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 2 T 8.16 4.26 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 1.23 0.00 0.00 3 T 8.39 4.23 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 1.23 0.00 0.00 4 P 0.00 4.63 0.00 2.29 2.00 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 5 S 9.10 4.37 0.00 3.96 3.42 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 *7 E 9.36 4.23 0.00 1.99 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 0.00 2.28 2.29 0.00 8 D 8.04 4.45 0.00 3.03 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 9 Y 8.47 3.86 0.00 3.00 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 10 I 7.93 3.85 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.66 1.00 0.00 0.00 11 E 8.30 3.93 0.00 1.96 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 0.00 2.33 2.33 0.00 12 Q 7.99 4.11 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 13 I 8.75 3.99 2.13 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.22 1.00 0.00 0.00 14 Y 8.04 4.24 0.00 3.27 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 *16 L 7.84 4.15 0.00 1.74 1.79 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.42 3.56 1.79 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 1.81 0.81 0.79 0.00 0.00 18 E 7.93 3.93 0.00 1.97 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 2.25 1.97 0.00 19 E 7.84 4.14 0.00 1.90 1.76 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 2.18 2.34 0.00 20 K 8.00 3.98 0.00 1.03 0.81 0.00 1.56 0.00 0.00 1.43 0.00 0.00 3.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.23 7.81 21 G 8.53 4.58 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 22 Y 6.47 4.91 0.00 2.97 2.94 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 23 A 8.63 4.59 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 24 R 8.61 4.49 0.00 2.07 1.97 0.00 3.36 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.72 0.00 25 V 8.72 3.67 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.06 0.00 0.00 26 S 8.18 4.16 0.00 3.96 3.95 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 27 D 8.12 4.42 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 28 I 7.93 3.63 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.00 0.81 0.00 0.00 29 A 7.96 3.94 1.44 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 0.00 0.00 0.00 30 E 7.98 3.86 0.00 1.99 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 0.00 2.31 2.34 0.00 31 A 8.01 4.17 1.39 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 0.00 0.00 0.00 32 L 7.96 4.26 0.00 1.41 1.53 -0.15 1.01 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 33 A 7.83 3.77 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 34 V 6.98 4.58 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 0.80 0.00 0.00 0.94 0.00 0.00 35 H 8.70 4.67 0.00 3.19 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.24 0.00 2.18 2.17 0.00 3.63 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 2.15 2.22 0.00 37 S 8.21 4.21 0.00 4.03 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 38 S 8.70 4.20 0.00 4.10 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 39 V 7.79 3.94 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 1.12 0.00 0.00 1.03 0.00 0.00 40 T 8.39 3.72 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 1.10 0.00 0.00 41 K 7.87 4.10 0.00 1.93 1.75 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.51 7.81 *43 V 7.72 3.95 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 0.46 0.00 0.00 0.97 0.00 0.00 44 Q 7.58 4.04 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 45 K 7.70 4.03 0.00 1.74 1.83 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.53 7.81 46 L 7.68 4.22 0.00 1.91 1.82 0.91 0.97 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 47 D 8.13 4.85 0.00 2.91 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 48 K 7.97 3.94 0.00 1.91 2.01 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.50 7.81 49 D 7.75 4.52 0.00 2.97 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 50 E 8.30 3.81 0.00 1.88 1.95 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 2.19 2.31 0.00 51 Y 7.81 4.45 0.00 3.16 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 52 L 7.20 4.84 0.00 1.96 1.87 1.12 0.58 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 53 I 8.98 5.05 1.92 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 1.36 1.50 0.94 0.00 0.00 54 Y 9.15 5.00 0.00 3.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.82 4.11 0.00 1.81 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 56 K 7.61 3.52 0.00 1.48 1.44 0.00 1.40 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 1.05 7.81 57 Y 8.65 4.26 0.00 3.13 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 58 R 7.77 4.47 0.00 1.88 1.86 0.00 3.65 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 59 G 8.24 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 60 L 8.73 4.73 0.00 1.75 1.74 1.04 1.46 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 61 V 8.23 4.55 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 0.75 0.00 0.00 0.98 0.00 0.00 62 L 8.74 4.67 0.00 1.74 1.73 1.16 1.11 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 63 T 8.04 4.49 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 1.28 0.00 0.00 64 S 8.52 4.17 0.00 4.10 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 65 K 8.10 4.12 0.00 1.85 1.85 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.77 1.63 7.81 66 G 8.19 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 0.00 0.00 0.00 0.00 67 K 8.48 4.36 0.00 2.09 2.09 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.78 7.81 68 K 8.27 3.90 0.00 1.98 1.85 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.48 7.81 69 I 7.74 3.77 2.05 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 1.46 0.47 0.85 0.00 0.00 70 G 8.54 3.51 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 0.00 71 K 7.95 3.10 0.00 1.81 1.75 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.77 7.81 72 R 7.68 4.02 0.00 1.90 2.06 0.00 2.77 0.00 0.00 2.94 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 73 L 8.02 4.22 0.00 1.90 1.91 0.98 1.09 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 74 V 7.97 3.61 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 0.97 0.00 0.00 1.01 0.00 0.00 75 Y 8.25 4.16 0.00 3.17 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 76 R 7.99 3.43 0.00 1.79 1.97 0.00 2.48 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.19 0.00 77 H 8.25 3.90 0.00 3.52 3.45 0.00 5.86 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 78 E 8.75 3.99 0.00 2.06 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 2.68 2.56 0.00 79 L 7.89 3.82 0.00 1.17 1.49 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.79 4.04 0.00 1.74 1.66 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.07 3.87 0.00 2.21 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 2.22 0.00 82 Q 8.12 3.93 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 83 F 8.47 4.29 0.00 3.03 3.29 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 84 L 7.84 3.21 0.00 1.53 1.46 0.81 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.29 3.76 0.00 1.88 2.05 0.00 3.09 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 1.59 1.63 0.00 86 I 8.06 3.68 1.97 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 1.60 0.90 0.77 0.00 0.00 87 I 7.41 3.94 1.61 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.34 0.65 0.00 0.00 88 G 7.83 3.63 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 0.00 0.00 0.00 89 V 7.56 3.90 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 0.71 0.00 0.00 0.76 0.00 0.00 90 D 8.64 4.33 0.00 2.78 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 91 E 9.21 3.90 0.00 2.05 1.96 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 2.37 2.45 0.00 92 E 8.18 4.16 0.00 2.16 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 2.27 2.34 0.00 93 K 8.15 4.42 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.42 7.81 94 I 7.58 3.62 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.95 0.87 0.00 0.00 95 Y 7.99 4.06 0.00 3.09 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 96 N 8.06 4.11 0.00 2.74 2.79 0.00 0.00 7.07 8.08 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 97 D 8.07 4.29 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.89 3.44 1.93 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 0.58 0.00 0.00 0.88 0.00 0.00 99 E 8.00 4.13 0.00 1.57 1.74 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 1.55 1.47 0.00 100 G 7.94 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 0.00 101 I 7.12 4.41 1.80 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 1.61 0.83 0.91 0.00 0.00 102 E 8.30 3.83 0.00 1.82 1.96 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 2.35 1.92 0.00 103 H 7.97 4.76 0.00 3.19 3.30 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.68 4.87 0.00 2.95 3.25 0.00 5.79 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.52 4.70 0.00 1.38 1.37 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.38 4.33 0.00 4.05 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 0.00 107 W 8.87 3.86 0.00 3.47 3.42 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 0.00 108 N 7.82 4.67 0.00 2.91 2.87 0.00 0.00 7.14 7.51 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 0.00 109 S 8.04 4.11 0.00 4.00 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 0.00 110 I 7.49 3.74 2.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.06 0.84 0.00 0.00 111 D 9.44 4.48 0.00 2.93 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 0.00 112 R 7.96 4.05 0.00 1.93 1.91 0.00 3.28 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 113 I 8.75 3.61 1.70 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.68 -0.01 0.00 0.00 114 G 8.48 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 0.00 115 D 8.41 4.46 0.00 2.86 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 0.00 116 L 8.26 4.03 0.00 1.74 1.75 1.14 0.88 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 0.00 117 V 8.12 3.80 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.07 0.00 0.00 118 Q 8.21 4.01 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.48 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 119 Y 7.89 4.00 0.00 2.99 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 0.00 120 F 8.32 4.14 0.00 3.24 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.23 4.38 0.00 2.19 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 2.69 2.53 0.00 122 E 7.52 4.39 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.07 0.00 123 D 7.34 4.25 0.00 2.60 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 0.00 0.00 0.00 124 D 8.72 4.50 0.00 2.73 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 0.00 125 A 8.62 4.02 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 0.00 126 R 7.95 3.88 0.00 1.86 1.68 0.00 2.45 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 127 K 8.16 4.24 0.00 2.01 1.94 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.74 1.76 7.81 128 K 8.23 3.94 0.00 2.08 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.76 7.81 129 D 8.08 4.42 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.33 4.15 0.00 2.17 2.00 0.95 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.50 3.82 0.00 2.01 1.93 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.52 7.81 132 S 8.30 4.15 0.00 4.10 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 0.00 133 I 7.78 3.66 2.09 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 1.43 0.94 0.92 0.00 0.00 134 Q 8.19 3.96 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 135 K 7.84 3.94 0.00 2.02 1.85 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.63 7.81 136 K 8.09 4.07 0.00 1.74 1.97 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 137 T 8.61 3.98 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 1.20 0.00 0.00 138 E 8.50 4.27 0.00 2.03 1.86 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 2.17 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.