NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 4.4541 8.4293 118.8316 55.9473 31.0986 175.7597 15 E 4.4377 8.2129 113.8674 55.9974 30.7738 174.4570 16 Y 4.1398 8.5344 118.7275 59.7286 39.5039 176.4387 17 A 4.5517 7.4443 120.2156 50.8210 21.9683 175.9194 18 S 4.3504 8.4922 116.1564 57.5543 63.4730 174.2292 19 A 4.1536 8.6060 126.4472 55.4360 18.5368 179.0892 20 E 4.0905 8.7954 114.7688 60.3530 29.9924 177.4148 21 D 4.3863 7.7356 122.3099 55.9264 38.7796 174.9603 22 I 3.5013 8.0723 119.0293 61.6629 35.9728 175.4270 23 S 4.1791 9.4186 118.8683 61.1625 62.8846 175.2517 24 R 4.4523 8.1576 121.0506 55.9965 27.9703 176.6804 25 V 4.0341 7.2969 118.6495 64.2473 33.3965 177.6410 26 R 4.0060 7.6384 117.7571 59.0843 30.1180 178.6610 27 A 4.1150 8.0853 119.6212 54.5382 18.4751 177.8157 28 E 4.3620 8.1787 113.7427 56.7306 30.5817 176.2926 29 L 4.0724 7.2529 118.2428 54.9528 41.6901 176.6414 30 L 4.2371 8.4904 124.1728 57.0102 42.4737 177.7807 31 T 3.9899 7.6783 111.1454 62.9498 68.4937 173.2046 32 C 4.1897 8.7442 122.4073 60.1344 25.7111 173.2790 33 P 4.3081 0.0000 0.0000 64.9992 31.3192 176.8024 34 E 4.4562 7.8369 116.9548 55.3312 30.3358 175.3380 35 L 3.8351 7.4566 120.2023 55.4678 42.7223 176.2431 36 N 4.4374 8.5115 123.4295 53.7514 38.2071 175.5091 37 T 4.2372 8.2809 123.0654 65.5161 68.7847 176.5940 38 S 4.4520 8.4336 116.3556 59.5216 63.2150 174.6868 39 L 4.5646 8.0017 118.4540 54.4943 43.5462 176.8788 40 A 4.5268 8.2566 119.1039 51.3219 20.1924 176.4376 41 G 4.3174 8.4406 102.5653 44.7765 0.0000 172.3148 42 T 4.7773 8.3050 113.8663 61.4377 71.4674 173.9639 43 I 4.1816 8.2176 127.1962 61.1798 37.6677 175.6700 44 I 4.4873 8.5298 117.5403 60.6758 39.2340 175.2006 45 E 4.8734 7.6443 122.5398 55.3655 32.7718 173.7169 46 I 5.1352 8.0884 118.7034 60.0413 41.3831 173.3640 47 D 4.4321 8.8946 121.6396 53.2617 45.3096 175.1345 48 K 3.8889 8.8239 120.9574 58.6367 32.1553 175.4202 49 N 4.3679 9.0609 120.9722 52.8865 36.5927 172.4606 50 Y 5.3835 7.9822 117.4788 56.5668 42.7371 173.4103 51 A 4.7831 7.8052 125.8379 50.4465 23.4543 174.8866 52 K 4.8469 8.8959 121.4706 54.5814 35.7490 175.3510 53 S 5.1395 9.0165 120.7654 56.6712 67.4538 172.4775 54 I 4.9345 8.4957 112.8455 58.9108 40.8853 174.0368 55 L 4.8626 8.8552 127.3852 53.4004 44.3468 175.0477 56 I 4.5557 8.2707 128.2814 60.1600 37.9216 176.0811 57 T 4.1708 8.2438 118.8066 61.8501 69.4167 173.9482 58 T 4.6991 8.1138 113.2086 59.3033 72.0460 174.7351 59 S 4.1728 8.5198 115.9213 60.5470 62.9258 173.9301 60 E 4.1272 7.3461 122.3640 56.5994 29.4935 176.4517 *62 V 4.0922 7.6540 108.7037 61.0505 32.8126 175.6777 63 A 4.3856 9.1209 125.7085 53.4066 19.4185 176.4862 64 D 4.7176 7.5482 113.8038 52.4945 42.3698 175.0104 65 D 4.8873 8.6175 116.9012 53.7993 39.3158 176.7133 66 Q 4.3436 8.6510 117.3340 56.0514 29.4395 176.4819 67 G 3.9311 7.9126 107.2353 44.7361 0.0000 172.9071 68 L 4.3922 7.9452 122.6112 54.9740 43.3101 175.5271 69 I 4.6074 8.0762 127.2087 59.7256 38.5937 175.6044 70 F 4.3877 9.1703 129.6247 58.7987 39.9017 175.8253 71 D 4.2388 8.2543 125.2707 57.2019 40.4794 178.7193 72 A 3.9344 6.7638 120.6578 54.7557 18.3165 179.3738 73 F 4.1622 8.0228 115.9755 60.3453 38.8385 177.9868 74 I 3.6747 7.8706 120.0581 64.0993 36.8025 178.0406 75 F 3.8066 8.1739 120.8552 61.0804 39.2611 176.6391 76 A 3.9150 8.7159 120.6047 55.2260 18.1511 179.4374 77 A 4.5891 8.1693 120.1321 54.9072 18.4929 179.7595 78 A 3.7878 7.7497 119.3961 55.0289 18.4778 179.2848 79 N 3.9480 8.3620 116.2477 56.8306 38.9549 176.5123 80 Y 4.2571 8.0138 121.0475 60.8846 38.7891 178.2156 81 V 3.3250 7.6535 118.4743 64.4144 31.7121 177.7537 82 A 4.0628 7.9697 121.3726 55.3300 18.2471 179.7565 83 Q 3.9762 7.9930 115.6671 58.8798 28.5043 178.7906 84 A 4.0052 7.8461 121.2588 54.5377 18.1748 179.4344 85 S 4.2134 7.8941 112.9208 61.0180 62.8572 176.3239 86 I 3.9233 7.7095 121.9327 61.0395 38.5016 175.1339 87 N 4.0773 7.9937 116.6150 54.4499 37.6451 173.4789 88 K 4.5534 7.4359 115.3747 54.5225 34.8231 177.0747 89 E 3.7363 8.5625 122.5648 58.4407 29.8617 176.4954 90 F 5.1271 7.6294 118.9814 55.7792 40.6528 174.6470 91 S 5.2501 8.3901 117.1456 57.0978 66.5343 173.2102 92 V 4.6129 8.5866 118.6051 60.6729 34.7691 172.9818 93 I 4.8311 8.2475 115.0883 59.7615 38.9656 175.1803 94 I 4.4123 8.3550 122.6891 60.8258 40.0075 175.4001 95 G 4.3142 7.6257 104.2879 46.0676 0.0000 172.5182 96 S 5.2622 8.5872 115.0702 56.7049 66.5740 173.4830 97 K 4.3405 9.0503 121.9475 55.1052 34.5989 174.6189 98 C 4.7432 8.3760 124.3898 57.6325 31.6591 173.5067 99 F 4.6952 8.3246 120.1515 55.6035 42.0040 174.3586 100 F 4.6988 8.8660 122.0605 56.1126 39.3928 175.0897 101 Y 4.5480 8.5368 122.4315 60.3737 38.3124 176.2759 102 A 4.7084 7.6698 119.6521 50.2027 22.0052 173.8008 103 P 4.7094 0.0000 0.0000 62.4763 32.8862 176.1304 104 L 4.4528 8.5158 121.0421 54.5269 43.4966 175.4366 105 K 4.9817 10.2871 122.7422 54.0462 35.2534 175.2744 106 L 3.9867 8.6693 128.4867 57.0638 42.2896 176.9184 107 G 4.1222 8.8116 114.2853 45.3353 0.0000 173.6568 108 D 4.7193 8.3649 119.7323 53.1698 41.1450 175.7999 109 V 4.6557 8.2287 113.1983 59.5788 34.0742 174.7884 110 L 4.6428 8.8013 127.9548 53.9425 44.0351 174.7977 111 E 4.9703 9.3940 126.0025 54.7106 31.7231 174.8868 112 L 5.3089 8.9205 125.0779 52.8579 45.2411 175.2443 113 E 4.9264 9.1037 122.2038 54.3189 33.3960 174.1625 114 A 5.2678 8.7470 127.5097 50.4349 22.7612 174.4548 115 H 5.4006 9.4272 118.8195 53.8905 32.2904 172.6805 116 A 4.6959 8.9221 126.4448 51.6635 18.7978 177.2553 117 L 3.9819 8.8119 123.8520 57.8512 41.8329 178.8044 *123 K 4.3285 8.0663 116.7595 55.6373 34.9944 175.4160 124 K 4.7942 8.0431 121.2398 55.2897 33.0180 176.1208 125 R 4.7841 9.4359 126.2958 54.4909 34.3822 174.0027 126 D 5.1920 8.5943 121.7505 52.8992 43.2118 175.3583 127 V 4.6848 8.6647 123.5656 60.8580 34.5042 174.0785 128 K 4.6954 9.1954 130.4680 55.7630 33.4025 175.3495 129 V 4.9737 8.9831 128.0367 61.1413 34.5826 174.4090 130 V 4.9453 8.8759 126.2520 61.1352 34.6894 174.1709 131 G 4.6543 9.4514 114.3888 44.7987 0.0000 171.4015 132 H 5.3426 9.5431 120.1132 53.6934 33.2696 172.8781 133 V 4.6784 8.6049 121.6803 60.6475 33.4092 176.0804 134 K 3.7305 8.8903 129.4978 58.2223 30.7351 177.2551 135 E 4.4142 9.0560 127.4310 57.4039 29.9480 175.2805 136 I 4.3683 7.6872 121.8004 59.3392 38.5138 175.5548 137 K 4.6007 8.3080 125.6750 55.3303 33.1744 175.4384 *139 F 4.4651 8.1871 124.0850 58.2134 40.8946 173.1334 140 E 4.7676 7.0480 124.5413 54.8834 33.4953 173.8977 141 G 4.0151 8.3735 110.3498 45.8312 0.0000 172.0196 142 T 5.2155 8.4112 118.3653 61.5331 71.3084 173.4908 143 I 4.9090 8.7867 126.9700 59.5682 40.7930 174.4783 144 Q 4.8431 9.1754 126.6080 54.8302 30.2336 174.7327 145 V 4.7334 8.7372 125.0916 61.0995 34.1968 174.5280 146 V 5.0356 8.7998 127.2588 61.0977 34.3379 174.3820 147 S 5.4540 8.7183 121.7113 56.8869 66.0066 172.8574 148 T 4.8504 8.6414 109.6006 60.3219 72.2252 174.3840 149 D 4.5969 8.9067 120.5932 55.6623 41.3818 176.2020 150 E 4.2614 7.5204 118.5108 54.0036 33.1324 174.0074 151 H 3.4897 7.2794 123.3027 55.9337 30.4855 175.9514 152 I 3.5965 8.0113 119.2531 64.2270 37.1253 177.7664 153 F 4.5220 8.0306 117.3501 59.2418 38.8253 175.6563 154 K 4.3894 8.1053 118.8420 54.8795 32.4697 176.3226 155 L 4.0243 8.5999 126.1611 55.3503 42.3174 174.2334 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 14 E 8.43 4.45 0.00 2.13 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 2.22 2.38 0.00 15 E 8.21 4.44 0.00 1.99 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 1.57 2.00 0.00 16 Y 8.53 4.14 0.00 3.00 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 A 7.44 4.55 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 18 S 8.49 4.35 0.00 3.85 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 19 A 8.61 4.15 1.30 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 20 E 8.80 4.09 0.00 2.01 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 2.38 2.24 0.00 21 D 7.74 4.39 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.07 3.50 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 1.31 0.85 0.92 0.00 0.00 23 S 9.42 4.18 0.00 3.95 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.16 4.45 0.00 1.78 1.91 0.00 3.26 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 25 V 7.30 4.03 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 1.01 0.00 0.00 1.04 0.00 0.00 26 R 7.64 4.01 0.00 2.01 1.99 0.00 3.20 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 27 A 8.09 4.11 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 28 E 8.18 4.36 0.00 2.03 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 2.26 2.25 0.00 29 L 7.25 4.07 0.00 1.82 1.66 0.95 0.92 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 30 L 8.49 4.24 0.00 1.57 1.61 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.68 3.99 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 1.31 0.00 0.00 32 C 8.74 4.19 0.00 3.15 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 33 P 0.00 4.31 0.00 2.18 2.20 0.00 3.74 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 2.00 1.97 0.00 34 E 7.84 4.46 0.00 1.91 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 2.20 2.32 0.00 35 L 7.46 3.84 0.00 1.42 1.36 0.75 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.51 4.44 0.00 2.75 2.72 0.00 0.00 7.18 7.22 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 37 T 8.28 4.24 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 1.25 0.00 0.00 38 S 8.43 4.45 0.00 4.03 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 39 L 8.00 4.56 0.00 1.70 1.92 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.26 4.53 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 41 G 8.44 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 42 T 8.30 4.78 4.24 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 1.22 0.00 0.00 43 I 8.22 4.18 1.71 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.20 0.70 0.00 0.00 44 I 8.53 4.49 1.88 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 1.14 0.67 0.91 0.00 0.00 45 E 7.64 4.87 0.00 2.05 1.78 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 2.42 2.34 0.00 46 I 8.09 5.14 1.85 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 1.33 0.81 0.82 0.00 0.00 47 D 8.89 4.43 0.00 2.90 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 48 K 8.82 3.89 0.00 1.70 1.78 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.58 7.81 49 N 9.06 4.37 0.00 2.99 3.06 0.00 0.00 7.01 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 50 Y 7.98 5.38 0.00 2.98 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.81 4.78 1.03 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 52 K 8.90 4.85 0.00 1.51 1.47 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.26 1.40 7.81 53 S 9.02 5.14 0.00 3.75 3.64 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 54 I 8.50 4.93 1.62 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 1.14 0.86 0.65 0.00 0.00 55 L 8.86 4.86 0.00 1.68 1.49 0.93 0.85 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 56 I 8.27 4.56 1.85 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 1.34 0.64 0.91 0.00 0.00 57 T 8.24 4.17 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 1.30 0.00 0.00 58 T 8.11 4.70 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 1.22 0.00 0.00 59 S 8.52 4.17 0.00 3.96 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 60 E 7.35 4.13 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 *62 V 7.65 4.09 2.26 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 0.77 0.00 0.00 0.98 0.00 0.00 63 A 9.12 4.39 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 64 D 7.55 4.72 0.00 2.82 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 65 D 8.62 4.89 0.00 2.80 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 66 Q 8.65 4.34 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 67 G 7.91 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 68 L 7.95 4.39 0.00 1.82 1.87 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.08 4.61 2.02 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 1.23 0.99 1.01 0.00 0.00 70 F 9.17 4.39 0.00 3.23 3.39 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 71 D 8.25 4.24 0.00 1.99 1.72 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 72 A 6.76 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.02 4.16 0.00 3.17 3.11 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 74 I 7.87 3.67 2.16 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.45 0.30 0.00 0.00 75 F 8.17 3.81 0.00 3.23 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 76 A 8.72 3.91 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 77 A 8.17 4.59 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.75 3.79 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 79 N 8.36 3.95 0.00 2.24 2.85 0.00 0.00 6.83 7.07 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 80 Y 8.01 4.26 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.65 3.33 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 0.74 0.00 0.00 0.69 0.00 0.00 82 A 7.97 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.99 3.98 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 84 A 7.85 4.01 1.11 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 85 S 7.89 4.21 0.00 4.06 4.15 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 86 I 7.71 3.92 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.85 0.91 0.00 0.00 87 N 7.99 4.08 0.00 2.95 2.78 0.00 0.00 7.16 6.25 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 88 K 7.44 4.55 0.00 1.75 1.66 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.34 7.81 89 E 8.56 3.74 0.00 1.57 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 1.47 1.75 0.00 90 F 7.63 5.13 0.00 3.20 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 91 S 8.39 5.25 0.00 3.89 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 92 V 8.59 4.61 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.84 0.00 0.00 93 I 8.25 4.83 1.99 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 1.29 0.73 0.93 0.00 0.00 94 I 8.36 4.41 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 0.97 0.98 0.00 0.00 95 G 7.63 4.31 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 0.00 0.00 0.00 96 S 8.59 5.26 0.00 4.03 4.01 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 97 K 9.05 4.34 0.00 1.71 1.48 0.00 1.23 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.03 1.27 7.81 98 C 8.38 4.74 0.00 2.67 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.32 4.70 0.00 2.22 2.49 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 0.00 100 F 8.87 4.70 0.00 2.89 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 0.00 101 Y 8.54 4.55 0.00 3.07 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 0.00 102 A 7.67 4.71 1.31 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 0.00 0.00 103 P 0.00 4.71 0.00 2.13 2.09 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 104 L 8.52 4.45 0.00 1.72 1.84 1.00 0.48 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 0.00 105 K 10.29 4.98 0.00 1.65 1.75 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 106 L 8.67 3.99 0.00 1.75 1.60 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.81 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.36 4.72 0.00 2.78 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 0.00 109 V 8.23 4.66 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 0.78 0.00 0.00 0.25 0.00 0.00 110 L 8.80 4.64 0.00 1.72 1.46 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.39 4.97 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 112 L 8.92 5.31 0.00 1.50 1.49 0.84 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 113 E 9.10 4.93 0.00 2.01 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 2.16 2.15 0.00 114 A 8.75 5.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 9.43 5.40 0.00 3.07 3.21 0.00 5.61 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 0.00 116 A 8.92 4.70 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 0.00 117 L 8.81 3.98 0.00 1.55 1.74 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 *123 K 8.07 4.33 0.00 1.79 1.98 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.58 7.81 124 K 8.04 4.79 0.00 1.77 1.72 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.46 7.81 125 R 9.44 4.78 0.00 1.68 1.76 0.00 3.33 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 126 D 8.59 5.19 0.00 2.68 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 0.00 127 V 8.66 4.68 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 1.01 0.00 0.00 0.93 0.00 0.00 128 K 9.20 4.70 0.00 1.92 1.73 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.46 7.81 129 V 8.98 4.97 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 0.99 0.00 0.00 0.91 0.00 0.00 130 V 8.88 4.95 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 1.02 0.00 0.00 0.99 0.00 0.00 131 G 9.45 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.54 5.34 0.00 3.03 3.37 0.00 5.57 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 0.00 133 V 8.60 4.68 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 1.02 0.00 0.00 0.97 0.00 0.00 134 K 8.89 3.73 0.00 1.99 1.05 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.51 7.81 135 E 9.06 4.41 0.00 1.99 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 2.29 2.28 0.00 136 I 7.69 4.37 1.93 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 1.21 0.63 0.96 0.00 0.00 137 K 8.31 4.60 0.00 1.65 1.69 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.42 7.81 *139 F 8.19 4.47 0.00 3.16 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 E 7.05 4.77 0.00 2.10 1.59 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 2.23 2.23 0.00 141 G 8.37 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 0.00 0.00 0.00 142 T 8.41 5.22 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 1.26 0.00 0.00 143 I 8.79 4.91 1.84 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.89 0.00 0.00 144 Q 9.18 4.84 0.00 1.98 2.04 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 2.52 2.30 0.00 145 V 8.74 4.73 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 0.98 0.00 0.00 0.92 0.00 0.00 146 V 8.80 5.04 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 0.95 0.00 0.00 0.94 0.00 0.00 147 S 8.72 5.45 0.00 4.01 3.80 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 0.00 148 T 8.64 4.85 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 1.21 0.00 0.00 149 D 8.91 4.60 0.00 2.72 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 0.00 150 E 7.52 4.26 0.00 1.91 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 151 H 7.28 3.49 0.00 2.62 2.91 0.00 5.75 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.01 3.60 1.70 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.15 0.85 0.00 0.00 153 F 8.03 4.52 0.00 3.12 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 0.00 154 K 8.11 4.39 0.00 1.79 1.79 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.37 7.81 155 L 8.60 4.02 0.00 1.69 1.61 0.93 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.