NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4429 8.3349 116.7854 58.2769 64.3857 172.6259 5 R 4.3647 8.6809 122.4930 53.9874 33.2535 172.8677 6 I 4.9186 9.1879 126.2256 59.8382 39.1980 174.6516 7 E 4.8558 9.2186 125.4724 54.7128 34.1610 174.4729 8 L 5.1031 8.6267 121.2613 53.4538 44.2741 176.1998 9 G 4.3653 9.3836 108.2666 44.3159 0.0000 171.7289 10 D 4.8306 8.9411 122.1183 54.8665 41.7211 176.4500 11 V 4.2520 8.3825 122.3343 62.5135 32.1599 175.1473 12 T 4.7472 9.2393 117.9009 58.9317 71.5094 173.0159 13 P 4.3578 0.0000 0.0000 65.2009 31.5707 177.7419 14 H 4.3046 7.9725 117.6755 58.2325 30.0484 175.4073 15 N 5.0109 7.9648 113.6058 51.8636 38.1611 175.6180 16 I 3.7719 7.8034 123.3335 65.1547 37.9093 178.6899 17 K 3.9145 7.9320 124.0896 59.3937 31.5084 181.3584 18 Q 4.1537 7.9120 119.0488 58.8610 29.1418 177.3796 19 L 3.9276 7.9317 121.4552 58.1048 42.1457 178.7151 20 K 3.7314 7.9603 120.8028 58.8382 31.4960 178.3979 21 R 4.0331 7.8105 118.6885 59.6551 29.9319 178.4609 22 L 4.0439 8.1669 118.7444 57.9072 41.6229 179.2944 23 N 4.7718 8.4483 116.5144 56.4607 38.2612 177.5224 24 Q 4.1204 8.1476 118.9364 58.6603 28.7934 178.4901 25 V 3.8054 7.1737 117.4862 65.5974 31.7956 177.7673 26 I 3.6461 7.6623 118.4193 62.0952 37.5052 176.2361 27 F 5.0004 7.3638 117.1981 54.7619 40.8969 174.3454 28 P 4.3561 0.0000 0.0000 65.0725 31.5670 177.0577 29 V 4.0996 7.5169 111.6180 59.5338 32.9146 175.4248 30 S 4.5297 8.1691 118.4234 57.5846 64.2945 173.0325 31 Y 4.3199 8.2695 120.4002 56.2572 39.7195 176.2474 32 N 4.9105 8.2947 120.7797 52.2579 40.8781 175.5332 33 D 4.7547 8.8102 121.3027 58.1432 40.7907 179.3478 34 K 3.9756 8.2098 123.8793 59.8300 31.5377 180.4131 35 F 4.1708 8.4103 122.1656 61.7370 39.3121 177.0878 36 Y 4.1512 7.8568 114.5187 60.7689 37.7016 178.2766 37 K 4.1096 8.6419 120.0050 59.7508 32.0849 179.0615 38 D 4.3744 8.3626 119.2490 57.3396 40.4764 178.9443 39 V 3.6259 7.1004 111.2038 63.1502 31.5964 177.8353 40 L 4.3371 7.7702 120.4483 56.8846 41.6442 177.9142 41 E 4.5692 7.5454 112.8880 55.7154 30.0922 180.6911 42 V 4.3367 7.6811 111.2073 61.2090 33.2536 177.3913 43 G 3.7698 7.5286 111.5973 47.1958 0.0000 175.1961 44 E 4.4544 9.0587 123.0234 56.6339 29.3379 176.6849 45 L 4.3257 8.0222 118.9605 55.2524 42.0366 175.9797 46 A 5.2337 7.5667 119.3178 50.3243 22.2332 175.9766 47 K 4.7601 8.8475 120.0641 55.0873 37.3481 175.4900 48 L 4.8205 9.4460 123.7607 53.9646 43.8877 175.3528 49 A 5.0940 8.5024 124.2365 50.6452 21.2765 175.4280 50 Y 5.0445 9.7283 121.4648 56.0122 41.2596 174.6516 51 F 4.9213 9.3345 126.1597 56.4948 41.8749 175.1443 52 N 3.9843 9.1937 126.7262 54.5636 36.4935 174.9741 53 D 4.6299 8.1740 113.4794 54.6592 39.0704 174.2773 54 I 4.2667 7.8711 121.7723 59.3356 38.2162 174.9695 55 A 3.7034 8.5782 128.7762 52.5093 18.3170 177.0093 56 V 4.1931 8.4459 115.0414 60.8041 34.4058 175.3324 57 G 4.2600 7.3321 106.5073 46.2515 0.0000 171.8625 58 A 5.1021 8.2910 118.6449 50.9600 23.2634 175.8822 59 V 4.8703 8.5124 120.0311 60.0834 34.4289 174.4566 60 C 5.1086 9.2868 121.7446 58.2613 31.0183 173.1989 61 C 5.1236 9.1860 121.2051 57.8961 31.7104 173.4539 62 R 4.6750 8.7930 119.7803 54.7220 33.6482 173.9571 63 V 4.5995 8.5527 125.5514 62.3699 32.6555 174.2854 64 D 4.9101 9.7501 128.4401 52.9910 43.4973 174.9564 65 H 5.4545 9.2156 124.1535 53.1098 27.9379 173.7287 66 S 4.7349 7.8169 115.7285 56.7215 66.3891 174.3704 67 Q 3.4703 9.3984 119.2499 58.6287 26.0855 174.0260 68 N 4.2629 8.2852 107.7428 53.4711 35.2401 175.8898 69 Q 4.7390 8.0612 115.7244 54.6014 32.7531 174.7045 70 K 4.5785 9.4072 121.4688 55.2324 33.5435 175.1137 71 R 5.3794 9.2797 127.2743 54.3630 33.8966 174.7040 72 L 4.8735 8.9273 125.1480 53.9998 43.8173 174.3223 73 Y 4.6242 9.0881 128.6617 56.3153 40.2315 175.0539 74 I 4.3109 7.6631 128.1420 60.2875 39.2817 175.2574 *76 T 3.7213 8.1347 112.5977 61.6991 70.2372 172.8391 77 L 4.9565 7.9876 125.1055 54.5331 45.2154 174.4027 78 G 4.1031 8.6387 112.1228 46.3199 0.0000 171.1968 79 C 5.2034 8.2743 113.9396 55.9888 33.3752 173.9089 80 L 3.9865 8.7608 119.5215 54.7145 42.1533 178.4585 81 A 3.9182 8.8119 125.7016 54.8992 18.2958 178.1557 82 P 4.1546 0.0000 0.0000 64.9143 31.3245 176.3729 83 Y 4.2131 7.3639 115.2409 57.5948 38.5945 176.0572 84 R 4.0397 7.6835 120.2276 56.7139 30.7213 176.1664 85 R 4.2331 8.4018 115.0697 58.0220 27.4208 177.0314 86 L 4.6496 7.4681 111.5855 54.2783 43.1842 177.8520 87 G 4.0537 8.3770 106.8938 45.8213 0.0000 175.8468 88 I 3.7819 7.8238 121.6278 64.0893 37.5180 177.6261 89 G 3.6066 8.1837 107.9768 48.9594 0.0000 174.4923 90 T 4.1108 8.3672 117.1407 66.3987 68.8803 176.4524 91 K 4.1850 8.0531 117.9591 57.6670 32.0177 177.6384 *93 L 4.2053 7.9564 120.8016 54.9888 43.5942 178.6150 94 N 4.4668 8.3222 115.9771 56.2584 38.1983 176.8060 95 H 4.1029 8.1624 119.5812 59.1085 29.8414 177.0019 96 V 3.4961 7.8917 119.4409 66.3574 31.2477 177.7527 97 L 3.9843 8.2448 118.5629 57.9230 41.4736 179.3653 98 N 4.3139 8.4896 116.5394 56.5418 38.4586 177.1919 99 I 3.7196 7.7850 121.2543 64.9068 37.1141 177.9583 100 C 4.3802 7.7580 116.8509 62.1419 27.9553 175.7851 101 E 3.9674 8.0445 120.2549 59.2871 29.4243 178.8020 102 K 4.1829 8.4014 116.9928 58.9659 32.1497 177.9534 103 D 4.5679 7.6419 117.5065 54.4627 41.4087 176.9751 104 G 4.1054 9.1527 110.9214 45.5366 0.0000 174.4456 105 T 4.0344 9.0525 109.7925 63.4709 69.2905 175.3554 106 F 4.5408 7.9825 121.3598 57.6039 39.7997 174.8986 107 D 4.7623 9.5558 125.7259 56.9919 42.0774 175.9162 108 N 4.8871 7.7987 112.7332 52.3404 40.4292 173.4664 109 I 5.1680 8.2685 120.7809 59.8884 40.3122 174.5414 110 Y 5.9613 9.0943 123.6691 55.8026 42.2792 173.1136 111 L 4.1602 8.1015 117.3917 55.6200 43.2311 172.5365 112 H 5.3274 8.8038 116.7886 54.1421 30.7197 174.4424 113 V 4.6283 8.6350 122.8266 60.7080 34.7852 174.4953 114 Q 4.9853 8.7840 128.2499 56.0519 29.5200 177.1316 115 I 3.7206 8.4180 119.9219 63.6934 37.6015 177.0023 116 S 4.4212 8.0027 113.3359 59.0472 63.7233 175.0685 117 N 4.6772 8.1724 122.2760 52.1054 35.9296 174.3796 118 E 3.9961 8.1827 124.7995 59.1189 30.0776 178.2834 119 S 4.0901 8.1555 112.1407 61.6648 62.3796 176.0828 120 A 4.1592 8.2122 122.7680 55.0238 18.0207 179.6452 121 I 3.7824 7.9894 118.4236 64.8254 37.1311 178.1508 122 D 4.4332 8.4713 119.9820 57.5176 40.4290 178.8195 123 F 4.2541 8.2615 119.8089 61.6799 39.8013 176.4807 124 Y 3.7320 8.3570 116.5873 61.0515 37.7862 178.9241 125 R 4.4689 8.4706 120.5137 58.5575 29.8708 178.9932 126 K 3.9696 7.7454 118.9876 58.9756 32.1655 177.2769 127 F 4.3288 8.0673 115.7744 57.3567 38.8129 176.4985 128 G 4.0254 8.1181 108.7956 45.1719 0.0000 174.2750 129 F 4.4171 8.4373 118.8352 57.4036 39.8272 173.8362 130 E 4.8647 9.0315 123.8235 54.3441 33.0272 175.4536 131 I 4.5306 8.4991 124.3865 61.6272 37.1618 175.7079 132 I 4.5214 8.4806 121.1046 60.5881 39.0634 175.0204 133 E 4.7756 7.5372 119.1193 56.2603 32.4650 174.8915 134 T 4.9514 8.5287 116.9404 61.6520 71.0015 173.6172 135 K 4.2827 9.0053 129.9653 55.6222 33.3649 176.2023 136 K 4.6630 8.7626 127.1753 56.5766 33.1598 176.5052 137 N 4.2080 9.3755 120.4238 54.6322 36.7917 175.5540 138 Y 3.9794 8.2012 119.6474 60.3361 39.3857 175.0387 139 Y 4.4018 8.0817 119.7996 57.4422 38.9433 176.4730 140 K 4.2155 8.7851 128.0405 56.4560 32.6246 175.6436 141 R 4.4734 8.0234 114.2671 57.4131 31.3560 180.7621 142 I 4.3378 7.4495 110.4636 59.6748 39.1930 174.4834 143 E 4.8197 8.1739 118.9837 53.5991 32.9274 174.3186 144 P 4.4521 0.0000 0.0000 62.8238 32.2111 176.1915 145 A 4.4778 8.5072 120.8217 54.3848 20.0647 177.5170 146 D 5.1219 8.2201 115.0514 54.3678 42.6905 175.4590 147 A 5.2567 8.7727 122.3055 50.5229 22.4454 175.4713 148 H 4.8000 9.0554 120.2930 55.8379 30.4754 174.6899 149 V 4.5189 8.9307 122.8379 61.5762 33.1679 174.3418 150 L 5.3245 8.6717 128.3401 53.2602 44.0983 175.4618 151 Q 5.0246 9.4029 124.2857 54.3068 33.1680 173.1419 152 K 4.5174 8.4474 127.4772 54.5001 34.1117 174.9443 153 N 4.7539 8.6657 125.0043 53.5458 39.0577 174.0260 154 L 4.5176 9.2961 124.4488 56.7747 43.8267 177.5905 155 K 4.1858 7.9301 122.5773 54.6572 31.8517 178.2058 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 S 8.33 4.44 0.00 3.88 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 5 R 8.68 4.36 0.00 1.58 1.70 0.00 3.04 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 6 I 9.19 4.92 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.64 1.00 0.00 0.00 7 E 9.22 4.86 0.00 1.89 1.77 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 2.20 2.26 0.00 8 L 8.63 5.10 0.00 1.50 1.55 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.38 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 0.00 0.00 0.00 0.00 10 D 8.94 4.83 0.00 2.59 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 11 V 8.38 4.25 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 0.84 0.00 0.00 0.98 0.00 0.00 12 T 9.24 4.75 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 1.24 0.00 0.00 13 P 0.00 4.36 0.00 2.09 2.17 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 14 H 7.97 4.30 0.00 3.10 3.37 0.00 5.89 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.96 5.01 0.00 3.00 3.05 0.00 0.00 5.91 7.84 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 16 I 7.80 3.77 2.05 0.00 0.00 1.00 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 1.39 0.96 0.00 0.00 17 K 7.93 3.91 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.06 7.81 18 Q 7.91 4.15 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 19 L 7.93 3.93 0.00 1.81 1.88 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.96 3.73 0.00 1.03 1.71 0.00 1.20 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 0.98 7.81 21 R 7.81 4.03 0.00 2.09 2.06 0.00 3.13 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 1.62 1.66 0.00 22 L 8.17 4.04 0.00 1.91 1.69 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.45 4.77 0.00 3.20 3.19 0.00 0.00 7.03 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.15 4.12 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 25 V 7.17 3.81 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 0.78 0.00 0.00 0.95 0.00 0.00 26 I 7.66 3.65 1.21 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.53 -0.07 0.00 0.00 27 F 7.36 5.00 0.00 3.34 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 28 P 0.00 4.36 0.00 2.07 2.12 0.00 3.95 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 29 V 7.52 4.10 1.71 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 0.71 0.00 0.00 0.69 0.00 0.00 30 S 8.17 4.53 0.00 3.97 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 31 Y 8.27 4.32 0.00 2.29 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 0.00 0.00 0.00 0.00 32 N 8.29 4.91 0.00 3.08 3.03 0.00 0.00 6.16 8.07 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 33 D 8.81 4.75 0.00 2.80 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 34 K 8.21 3.98 0.00 1.76 1.83 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.08 7.81 35 F 8.41 4.17 0.00 3.21 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 36 Y 7.86 4.15 0.00 3.36 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 37 K 8.64 4.11 0.00 2.04 1.89 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.36 7.81 38 D 8.36 4.37 0.00 2.81 2.57 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 39 V 7.10 3.63 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 0.11 0.00 0.00 0.91 0.00 0.00 40 L 7.77 4.34 0.00 1.76 1.73 0.95 1.10 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 41 E 7.55 4.57 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 42 V 7.68 4.34 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 0.75 0.00 0.00 0.95 0.00 0.00 43 G 7.53 3.77 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 0.00 0.00 0.00 44 E 9.06 4.45 0.00 2.02 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 0.00 2.36 2.36 0.00 45 L 8.02 4.33 0.00 1.90 1.81 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.57 5.23 1.13 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 0.00 0.00 47 K 8.85 4.76 0.00 1.60 1.61 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.26 7.81 48 L 9.45 4.82 0.00 1.76 1.16 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.50 5.09 1.16 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 0.00 0.00 50 Y 9.73 5.04 0.00 2.85 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 51 F 9.33 4.92 0.00 2.93 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 52 N 9.19 3.98 0.00 2.80 2.75 0.00 0.00 7.16 8.44 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 53 D 8.17 4.63 0.00 2.86 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 54 I 7.87 4.27 1.99 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 1.29 0.78 0.87 0.00 0.00 55 A 8.58 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.45 4.19 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 -0.13 0.00 0.00 0.72 0.00 0.00 57 G 7.33 4.26 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 0.00 58 A 8.29 5.10 1.24 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 0.00 0.00 59 V 8.51 4.87 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 0.75 0.00 0.00 0.98 0.00 0.00 60 C 9.29 5.11 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 61 C 9.19 5.12 0.00 2.80 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 62 R 8.79 4.67 0.00 1.90 1.85 0.00 3.13 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 63 V 8.55 4.60 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 0.86 0.00 0.00 1.15 0.00 0.00 64 D 9.75 4.91 0.00 2.97 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 65 H 9.22 5.45 0.00 3.09 3.25 0.00 5.74 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.82 4.73 0.00 3.92 3.99 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 67 Q 9.40 3.47 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 68 N 8.29 4.26 0.00 2.85 2.72 0.00 0.00 6.71 7.46 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 69 Q 8.06 4.74 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 70 K 9.41 4.58 0.00 1.67 1.71 0.00 1.35 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.83 1.10 7.81 71 R 9.28 5.38 0.00 2.04 2.16 0.00 3.22 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 72 L 8.93 4.87 0.00 1.04 1.30 0.90 0.51 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 73 Y 9.09 4.62 0.00 2.78 2.82 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 74 I 7.66 4.31 1.57 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.82 0.00 0.00 *76 T 8.13 3.72 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 0.04 0.00 0.00 77 L 7.99 4.96 0.00 1.68 1.68 0.98 0.89 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 78 G 8.64 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 0.00 0.00 0.00 0.00 79 C 8.27 5.20 0.00 3.02 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 80 L 8.76 3.99 0.00 1.93 1.73 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.81 3.92 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 82 P 0.00 4.15 0.00 1.57 1.94 0.00 3.62 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 83 Y 7.36 4.21 0.00 2.86 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 84 R 7.68 4.04 0.00 1.91 1.76 0.00 3.18 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 85 R 8.40 4.23 0.00 1.92 2.00 0.00 3.31 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 86 L 7.47 4.65 0.00 1.78 1.75 0.73 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.38 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 0.00 0.00 0.00 88 I 7.82 3.78 1.86 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 1.48 0.68 0.90 0.00 0.00 89 G 8.18 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.37 4.11 4.59 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 1.54 0.00 0.00 91 K 8.05 4.18 0.00 2.03 1.96 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.47 7.81 *93 L 7.96 4.21 0.00 1.65 1.14 0.98 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.32 4.47 0.00 2.95 2.93 0.00 0.00 6.68 8.61 0.00 0.00 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 H 8.16 4.10 0.00 3.30 3.32 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.89 3.50 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 0.96 0.00 0.00 0.94 0.00 0.00 97 L 8.24 3.98 0.00 1.90 1.75 1.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.49 4.31 0.00 2.97 2.85 0.00 0.00 7.02 7.45 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 99 I 7.78 3.72 1.99 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 1.42 0.98 0.83 0.00 0.00 100 C 7.76 4.38 0.00 3.02 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 0.00 101 E 8.04 3.97 0.00 1.98 2.21 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 2.34 2.42 0.00 102 K 8.40 4.18 0.00 1.80 1.88 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.60 7.81 103 D 7.64 4.57 0.00 3.01 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 0.00 104 G 9.15 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 0.00 0.00 0.00 0.00 105 T 9.05 4.03 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 1.14 0.00 0.00 106 F 7.98 4.54 0.00 3.07 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 0.00 107 D 9.56 4.76 0.00 2.68 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 0.00 108 N 7.80 4.89 0.00 2.93 2.85 0.00 0.00 6.08 7.64 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 0.00 109 I 8.27 5.17 1.75 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 1.17 0.62 1.05 0.00 0.00 110 Y 9.09 5.96 0.00 3.22 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 0.00 111 L 8.10 4.16 0.00 1.38 1.32 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.80 5.33 0.00 3.07 3.00 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.63 4.63 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 1.07 0.00 0.00 0.98 0.00 0.00 114 Q 8.78 4.99 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 115 I 8.42 3.72 1.83 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 1.39 0.74 0.71 0.00 0.00 116 S 8.00 4.42 0.00 4.02 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 0.00 117 N 8.17 4.68 0.00 2.93 2.84 0.00 0.00 7.13 7.16 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 0.00 118 E 8.18 4.00 0.00 2.07 2.03 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 2.44 2.41 0.00 119 S 8.16 4.09 0.00 3.88 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 0.00 120 A 8.21 4.16 1.60 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 0.00 121 I 7.99 3.78 2.07 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 1.61 0.96 0.96 0.00 0.00 122 D 8.47 4.43 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.26 4.25 0.00 2.92 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 0.00 124 Y 8.36 3.73 0.00 3.03 2.56 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 0.00 125 R 8.47 4.47 0.00 2.01 2.05 0.00 3.18 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.74 0.00 126 K 7.75 3.97 0.00 1.83 1.83 0.00 1.74 0.00 0.00 1.46 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.37 7.81 127 F 8.07 4.33 0.00 3.27 3.25 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 0.00 128 G 8.12 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 0.00 129 F 8.44 4.42 0.00 3.22 3.08 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 0.00 130 E 9.03 4.86 0.00 1.85 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 2.27 0.00 131 I 8.50 4.53 1.85 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.47 0.89 0.00 0.00 132 I 8.48 4.52 1.86 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 1.29 0.64 0.95 0.00 0.00 133 E 7.54 4.78 0.00 2.00 2.03 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 2.16 2.24 0.00 134 T 8.53 4.95 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 1.19 0.00 0.00 135 K 9.01 4.28 0.00 1.86 1.64 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.42 1.29 7.81 136 K 8.76 4.66 0.00 1.70 1.74 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.75 1.49 7.81 137 N 9.38 4.21 0.00 2.81 2.88 0.00 0.00 6.94 7.48 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 0.00 138 Y 8.20 3.98 0.00 2.71 2.68 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 0.00 0.00 0.00 0.00 139 Y 8.08 4.40 0.00 3.07 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 0.00 140 K 8.79 4.22 0.00 1.77 1.72 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 0.99 7.81 141 R 8.02 4.47 0.00 1.79 1.83 0.00 3.22 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00 142 I 7.45 4.34 1.81 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.85 0.00 0.00 143 E 8.17 4.82 0.00 1.92 1.85 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 2.22 2.28 0.00 144 P 0.00 4.45 0.00 2.23 2.09 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 145 A 8.51 4.48 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 0.00 146 D 8.22 5.12 0.00 2.66 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 0.00 147 A 8.77 5.26 1.05 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 0.00 148 H 9.06 4.80 0.00 3.17 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.93 4.52 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 1.08 0.00 0.00 0.86 0.00 0.00 150 L 8.67 5.32 0.00 1.56 1.69 0.84 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 9.40 5.02 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.43 0.00 152 K 8.45 4.52 0.00 0.79 0.79 0.00 1.61 0.00 0.00 1.39 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.10 1.13 7.81 153 N 8.67 4.75 0.00 2.60 2.69 0.00 0.00 6.98 7.85 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 0.00 154 L 9.30 4.52 0.00 1.64 1.70 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.93 4.19 0.00 1.77 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.