NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3476 8.1593 117.3751 62.6505 69.8940 173.6441 2 P 4.2932 0.0000 0.0000 62.5828 31.9641 174.6881 3 Q 4.4748 8.2382 117.6428 56.1544 30.7735 176.5104 4 N 4.8224 7.3370 115.0402 50.7888 41.2404 174.9414 5 I 3.7071 8.1794 120.2406 64.2794 38.1096 177.9986 6 T 3.8420 7.8584 116.3565 66.7805 68.1751 176.2797 7 D 4.3898 8.4969 119.8475 56.9906 41.0677 178.2436 8 L 4.1447 7.9352 121.0852 58.3398 42.1142 178.5602 9 C 4.0680 8.2467 118.3967 62.4376 31.3070 175.1392 10 A 4.2077 7.7000 119.8812 54.0309 18.0471 178.4780 11 E 4.0264 7.9642 115.8590 56.6099 30.0499 176.0882 12 Y 4.6692 7.3629 118.8590 56.7548 40.5698 175.7934 *13 H 4.6499 8.7176 118.7538 55.0345 29.2879 175.2340 14 N 4.3359 8.8556 115.2570 55.0981 35.8955 173.9511 15 T 5.7176 7.4802 103.2388 59.5033 71.8301 172.8483 16 Q 4.5939 8.1130 118.6744 55.0473 32.5160 173.0350 17 I 4.6401 8.1596 120.7593 60.5699 38.7457 174.8328 18 H 4.8312 9.1549 124.3249 54.3575 31.1675 173.5620 19 T 4.6464 8.5065 120.0813 62.5091 69.1014 173.7841 20 L 4.1383 8.6299 126.5656 54.9815 43.0098 177.5740 21 N 4.1780 7.8653 114.5494 53.2881 36.2701 172.6968 22 D 4.7121 7.9014 115.7038 52.7379 45.0983 174.5282 23 K 4.8853 8.3941 122.4111 55.8271 33.4893 176.7744 24 I 3.3044 8.1244 121.2707 61.3779 37.6810 176.1670 25 F 4.5936 8.7968 128.6707 60.7005 40.0534 175.7260 26 S 4.3848 7.7992 108.4980 56.6033 66.7227 172.4179 27 Y 4.9050 7.7272 121.7431 56.1009 41.3978 174.5163 28 T 4.5806 7.9953 122.5589 61.5382 72.3612 172.7902 29 E 4.9963 8.4685 122.3537 54.6721 33.3604 174.5783 30 S 4.7449 8.7926 115.2221 56.4504 66.0143 174.0922 31 L 4.5499 8.5205 124.3545 55.1414 41.0682 176.3563 32 A 4.0947 7.8895 123.7448 51.8471 18.8736 177.8201 33 G 3.8960 8.4954 110.8614 46.9598 0.0000 173.9419 34 K 4.0197 8.7165 121.5937 56.9565 30.4835 176.2079 35 R 4.6944 7.9333 117.6447 55.9118 31.1089 176.6611 36 E 5.0205 8.3655 118.9695 55.2224 29.2181 176.0201 37 M 5.0327 8.0771 120.7950 53.8803 35.6067 173.3008 38 A 5.0750 8.3792 118.6795 50.1335 22.8734 175.2462 39 I 5.0880 8.4156 120.4941 59.4043 41.1277 174.7419 40 I 5.1018 9.0048 120.1691 59.2909 40.9001 174.4442 41 T 5.3183 8.4334 112.4856 60.1856 72.5751 172.4795 42 F 5.2762 8.8939 120.4252 55.1734 42.2487 177.0078 43 K 3.4354 9.0723 119.8061 59.7209 32.4160 177.7071 44 N 4.4692 8.1780 114.3581 53.3077 37.1849 175.7978 45 G 3.8496 8.2836 108.4371 45.0661 0.0000 174.0154 46 A 4.0124 8.5472 123.1065 52.4510 19.4140 176.6995 47 T 5.0012 7.7577 118.0526 61.6876 71.8228 173.5157 48 F 5.3273 9.3696 123.8149 55.7916 43.5683 173.6860 49 Q 5.2055 9.1545 119.0663 54.5270 32.3873 174.3283 50 V 4.4491 8.5004 121.0362 61.3781 32.9657 175.2822 51 E 4.6388 8.8618 127.4426 55.5411 30.3492 177.0456 52 V 3.8466 8.3427 122.7622 62.4818 32.1357 174.1734 53 P 4.1563 0.0000 0.0000 63.0617 31.9905 175.7920 54 G 4.3216 8.5982 109.0656 44.7693 0.0000 173.1099 55 S 4.2670 8.5670 113.1001 60.4282 63.1029 175.1272 56 Q 4.0417 7.9849 118.7082 57.6233 28.8421 174.9877 57 H 5.0166 7.7963 116.6859 54.0135 30.8980 174.5437 58 I 4.2888 8.4114 116.6776 59.8047 39.2917 176.6368 59 D 4.4089 8.6591 121.1407 57.5919 40.3431 179.2017 60 S 4.2653 8.0173 113.0659 61.0101 63.2626 175.7785 61 Q 4.2292 8.1771 121.2937 57.6070 28.4254 178.1303 62 K 3.9264 7.9313 120.5039 59.3504 32.0974 179.2805 63 K 4.0182 8.0572 118.2619 59.7867 32.5982 178.8307 64 A 4.0816 7.8378 121.4712 54.6574 18.6300 179.4749 65 I 3.7253 8.0758 118.9446 64.6230 37.1989 178.4887 66 E 4.0170 8.0258 119.5449 59.3129 29.2052 179.3256 67 R 3.9055 8.2115 118.9251 59.6222 30.0514 178.3005 68 M 4.0748 8.2160 118.0538 58.5499 32.2556 178.3851 69 K 4.1279 8.0844 118.4018 59.4132 32.3188 178.9942 70 D 4.3612 8.0938 119.1261 57.7646 40.7488 179.0736 71 T 3.8832 8.2509 116.4262 66.6423 68.4313 176.8371 72 L 4.0547 8.3251 121.3095 57.6384 41.6690 179.4035 73 R 2.5773 7.7775 118.6299 59.1669 29.8861 178.2629 74 I 3.8265 7.5570 117.0079 63.0918 38.0077 177.5879 75 A 3.9359 8.3528 122.5859 55.0613 18.2918 178.7000 76 Y 4.0116 8.0821 118.1213 61.0521 38.6551 178.6117 77 L 3.6338 7.5127 118.3992 57.5737 41.8346 178.8166 78 T 4.1158 7.8445 106.6391 61.0448 69.1789 174.1738 79 E 3.6423 7.6489 119.1611 57.2592 27.5111 174.5127 80 A 4.1565 7.7982 120.3047 51.5629 19.9470 177.9319 81 K 4.3384 8.7221 124.4332 56.5349 33.6981 175.7073 82 V 3.8190 8.8109 128.8800 62.5528 32.3569 175.4490 83 E 4.3655 9.4079 131.2283 57.3873 29.8020 175.8255 84 K 5.1177 8.5046 117.2959 54.4488 37.1623 174.5997 85 L 4.9728 8.5010 122.1267 53.0564 45.1058 175.0025 86 C 4.8400 8.5619 123.9476 58.3541 33.0529 172.7961 87 V 4.7807 8.4393 118.4153 59.1931 36.3028 174.5687 88 W 4.9671 9.2730 123.9111 56.4004 30.0253 176.5346 89 N 4.6648 9.1891 121.9472 52.2241 37.6403 174.7945 90 N 4.9700 8.1695 115.5180 52.8470 37.8520 174.5989 91 K 4.7377 7.9035 116.0456 55.6137 36.1139 175.8904 92 T 4.5368 8.2677 117.0556 60.9948 71.1099 172.4350 93 P 4.5465 0.0000 0.0000 62.2458 32.8579 175.7155 94 H 4.7096 8.7729 116.4781 56.9207 29.9454 174.1158 95 A 5.3182 8.9605 124.2685 50.5081 21.0510 176.2686 96 I 4.1645 9.0078 124.4915 61.4074 37.2789 175.7733 97 A 4.4612 8.7907 128.3344 53.1725 20.6844 176.5488 98 A 4.5613 7.2338 114.1336 51.0415 22.8179 175.2103 99 I 5.1224 8.1668 118.7611 59.1678 41.4580 174.4909 100 S 4.8472 9.0591 122.8613 56.7336 65.8933 172.5439 101 M 5.1882 8.5272 121.8907 53.6336 34.1951 174.8547 102 A 4.4831 8.4952 122.6481 51.8830 22.9956 176.0443 103 N 4.5295 8.7602 116.3956 53.8849 38.5776 174.5669 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 T 8.16 4.35 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 2 P 0.00 4.29 0.00 2.27 2.06 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 3 Q 8.24 4.47 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 4 N 7.34 4.82 0.00 2.93 2.87 0.00 0.00 5.87 7.77 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 5 I 8.18 3.71 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.87 0.00 0.00 6 T 7.86 3.84 4.37 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 1.19 0.00 0.00 7 D 8.50 4.39 0.00 2.63 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 8 L 7.94 4.14 0.00 1.88 1.84 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.25 4.07 0.00 3.08 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 10 A 7.70 4.21 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 11 E 7.96 4.03 0.00 1.77 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.64 0.00 12 Y 7.36 4.67 0.00 2.95 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 *13 H 8.72 4.65 0.00 2.83 2.93 0.00 7.33 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.86 4.34 0.00 3.24 3.08 0.00 0.00 6.45 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 15 T 7.48 5.72 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 0.82 0.00 0.00 16 Q 8.11 4.59 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 17 I 8.16 4.64 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 0.85 0.00 0.00 18 H 9.15 4.83 0.00 2.86 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.51 4.65 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 1.17 0.00 0.00 20 L 8.63 4.14 0.00 1.35 1.32 0.55 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.87 4.18 0.00 2.81 2.79 0.00 0.00 6.50 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 22 D 7.90 4.71 0.00 2.95 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 23 K 8.39 4.89 0.00 1.95 1.86 0.00 1.22 0.00 0.00 1.23 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.53 7.81 24 I 8.12 3.30 2.01 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 1.01 0.58 0.91 0.00 0.00 25 F 8.80 4.59 0.00 3.12 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 26 S 7.80 4.38 0.00 3.72 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 27 Y 7.73 4.91 0.00 2.55 2.23 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 28 T 8.00 4.58 4.11 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 0.00 0.00 1.08 0.00 0.00 29 E 8.47 5.00 0.00 1.86 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 30 S 8.79 4.74 0.00 3.84 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 31 L 8.52 4.55 0.00 1.74 1.71 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.89 4.09 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 33 G 8.50 3.90 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 0.00 0.00 0.00 34 K 8.72 4.02 0.00 2.07 1.97 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.39 7.81 35 R 7.93 4.69 0.00 1.72 1.84 0.00 3.31 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 36 E 8.37 5.02 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 2.39 2.31 0.00 37 M 8.08 5.03 0.00 2.03 2.30 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 2.51 2.68 0.00 38 A 8.38 5.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.42 5.09 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 0.86 0.00 0.00 40 I 9.00 5.10 1.81 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 1.03 0.00 0.00 41 T 8.43 5.32 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 1.21 0.00 0.00 42 F 8.89 5.28 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 43 K 9.07 3.44 0.00 1.71 1.98 0.00 1.61 0.00 0.00 1.85 0.00 0.00 3.49 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.46 7.81 44 N 8.18 4.47 0.00 2.87 3.00 0.00 0.00 6.22 7.00 0.00 0.00 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 G 8.28 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.55 4.01 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 47 T 7.76 5.00 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 1.18 0.00 0.00 48 F 9.37 5.33 0.00 3.02 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 49 Q 9.15 5.21 0.00 2.14 2.21 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 2.62 2.37 0.00 50 V 8.50 4.45 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 1.00 0.00 0.00 1.02 0.00 0.00 51 E 8.86 4.64 0.00 1.97 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 2.49 2.24 0.00 52 V 8.34 3.85 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 0.80 0.00 0.00 0.95 0.00 0.00 53 P 0.00 4.16 0.00 2.05 1.91 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 54 G 8.60 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 0.00 0.00 0.00 0.00 55 S 8.57 4.27 0.00 3.97 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 56 Q 7.98 4.04 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.91 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 57 H 7.80 5.02 0.00 3.23 3.22 0.00 5.84 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.41 4.29 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.88 0.93 0.00 0.00 59 D 8.66 4.41 0.00 2.72 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 60 S 8.02 4.27 0.00 4.05 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 61 Q 8.18 4.23 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 62 K 7.93 3.93 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 63 K 8.06 4.02 0.00 1.99 2.08 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.52 7.81 64 A 7.84 4.08 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 65 I 8.08 3.73 1.98 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 1.51 1.21 0.90 0.00 0.00 66 E 8.03 4.02 0.00 2.09 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 2.55 2.46 0.00 67 R 8.21 3.91 0.00 1.89 2.10 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.22 4.07 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 69 K 8.08 4.13 0.00 2.07 1.96 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.67 7.81 70 D 8.09 4.36 0.00 2.93 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 71 T 8.25 3.88 4.41 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 1.22 0.00 0.00 72 L 8.33 4.05 0.00 1.88 1.93 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.78 2.58 0.00 1.37 1.84 0.00 3.01 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.13 0.00 74 I 7.56 3.83 1.81 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 1.42 1.26 0.92 0.00 0.00 75 A 8.35 3.94 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 76 Y 8.08 4.01 0.00 3.09 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 77 L 7.51 3.63 0.00 1.59 1.61 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.84 4.12 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 1.18 0.00 0.00 79 E 7.65 3.64 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 2.08 2.05 0.00 80 A 7.80 4.16 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 81 K 8.72 4.34 0.00 1.88 2.02 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.51 7.81 82 V 8.81 3.82 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 0.88 0.00 0.00 1.14 0.00 0.00 83 E 9.41 4.37 0.00 2.07 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 2.27 2.24 0.00 84 K 8.50 5.12 0.00 1.67 1.54 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.33 7.81 85 L 8.50 4.97 0.00 1.14 1.20 0.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.56 4.84 0.00 2.86 2.58 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 87 V 8.44 4.78 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 1.05 0.00 0.00 88 W 9.27 4.97 0.00 3.36 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 9.19 4.66 0.00 2.62 2.81 0.00 0.00 6.98 8.78 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 90 N 8.17 4.97 0.00 2.89 3.00 0.00 0.00 5.92 7.13 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 91 K 7.90 4.74 0.00 1.83 1.76 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.40 7.81 92 T 8.27 4.54 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 1.19 0.00 0.00 93 P 0.00 4.55 0.00 2.13 1.97 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 94 H 8.77 4.71 0.00 3.36 3.55 0.00 5.60 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 95 A 8.96 5.32 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 96 I 9.01 4.16 1.96 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 1.08 0.78 0.92 0.00 0.00 97 A 8.79 4.46 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.23 4.56 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.17 5.12 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.98 0.91 0.00 0.00 100 S 9.06 4.85 0.00 3.86 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 0.00 101 M 8.53 5.19 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 102 A 8.50 4.48 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 0.00 103 N 8.76 4.53 0.00 2.90 2.85 0.00 0.00 6.81 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 * Residues marked with a * may have inaccurate shift predictions.