NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5454 8.3649 120.3130 52.8843 40.6332 178.6611 6 F 4.8561 8.8161 113.9297 56.5944 39.6622 169.5264 7 E 4.9461 9.2094 122.8370 54.3467 32.9412 174.1708 8 E 5.7306 8.7024 122.8985 53.3561 32.4785 174.6220 9 K 4.7747 8.6710 123.8686 54.6183 36.0023 174.0134 10 M 4.9191 8.4461 123.3456 54.0079 32.1753 175.6894 11 I 4.0087 8.7703 125.8633 63.3207 37.5765 176.2194 12 L 4.6217 7.3996 119.0506 55.0632 43.0027 172.8956 13 I 5.3671 8.5158 113.3004 59.5171 40.5400 174.4355 14 R 4.8031 9.4439 120.4048 54.8535 33.6869 173.8434 15 R 5.1481 8.7705 120.1125 54.0089 31.6898 175.3930 16 T 4.5236 8.1864 117.2366 61.2317 71.3478 173.0712 17 A 5.0040 8.1853 121.8505 50.5487 22.0965 175.7962 18 R 4.6368 8.8772 118.0567 54.5898 32.7685 174.7872 19 M 4.7058 8.3993 119.9458 54.6434 33.8437 175.3002 20 Q 4.3609 8.6895 120.6278 54.1638 32.5442 173.3176 21 A 4.0631 8.5337 125.2519 55.2481 18.1542 177.9994 22 G 3.9466 8.7354 111.2079 45.0671 0.0000 173.0236 23 G 4.2052 7.5756 107.4732 43.8119 0.0000 171.9522 24 R 4.4014 7.6881 118.9797 55.7472 31.2132 177.0006 25 R 4.2970 8.4428 121.0200 54.4682 33.5529 175.3679 26 F 5.0712 8.6863 122.7175 57.3185 40.7746 174.7905 27 R 4.7956 8.2597 117.3087 55.4694 35.2251 174.2327 28 F 5.3210 9.4179 119.0351 55.7431 42.9078 174.4302 29 G 4.4665 9.4156 110.1050 44.3214 0.0000 171.8537 30 A 5.4300 9.0903 125.7956 49.9071 22.5128 174.3938 31 L 5.2187 9.7784 126.1490 53.5329 44.2647 175.3840 32 V 4.8294 9.1415 126.1861 61.2478 35.0073 174.4019 33 V 4.8132 9.2592 128.7501 61.8429 34.1110 175.0232 34 V 4.8717 8.2430 124.1968 60.7984 34.8310 173.1542 35 G 4.6466 9.3356 111.8106 44.6944 0.0000 172.6557 36 D 5.0140 8.5438 117.9952 52.2600 39.7120 176.4667 37 R 4.1219 7.9786 116.6937 57.4386 28.2403 176.5236 38 Q 4.4936 9.0615 114.9353 55.3591 30.2019 175.8743 39 G 3.8184 9.4132 104.2574 45.6336 0.0000 173.7686 40 R 4.9482 7.8655 117.7784 54.3615 33.6157 174.5950 41 V 4.7933 8.5371 116.6624 59.5397 36.7474 175.1271 42 G 4.6914 8.7634 108.4548 44.4272 0.0000 171.2976 43 L 5.0805 8.5063 125.4953 53.0392 44.9941 175.2187 44 G 4.2609 8.9857 112.1551 44.5698 0.0000 170.9827 45 F 5.6384 9.1304 127.3503 56.6401 41.1315 174.2031 46 G 4.3420 8.8775 113.8788 44.2448 0.0000 170.9768 47 K 5.7019 8.5556 120.1991 53.5954 35.8631 175.2566 48 A 4.6530 8.3972 123.3469 50.4300 22.2643 175.4468 49 P 4.3822 0.0000 0.0000 65.0259 31.7696 177.4449 50 E 4.2903 7.8948 117.9129 53.4894 33.2612 175.6584 51 V 3.2989 7.0968 126.6715 66.1767 31.8119 175.7380 52 P 4.2429 0.0000 0.0000 66.1385 31.0784 178.1739 53 L 4.2456 7.8035 118.4867 58.5513 40.3340 179.3608 54 A 3.9355 8.0967 122.3830 55.1391 18.3269 179.5489 55 V 3.5294 8.4546 117.5078 66.1943 31.6374 177.6105 56 Q 3.9589 8.5363 119.5524 59.4397 28.8294 178.6131 57 K 3.9088 8.4362 120.4466 59.3411 32.1875 178.3250 58 A 4.3191 8.4049 121.5016 55.2742 18.4891 179.5438 59 G 3.7360 8.3372 104.1387 48.3253 0.0000 174.6939 60 Y 4.1795 8.0009 122.4855 60.8559 38.4567 178.1869 61 Y 3.9884 7.7910 115.6762 60.9072 38.1125 177.8173 62 A 4.2522 8.0174 123.0378 54.8687 18.2613 179.6865 63 R 3.6922 7.7562 115.0221 59.3857 30.3648 178.6397 64 R 4.2097 7.2954 114.8161 56.7837 31.6573 176.0649 65 N 4.9754 8.7242 117.3018 52.6426 38.9624 172.0650 66 M 5.0001 8.1146 120.5548 53.3201 34.8576 175.4805 67 V 4.3451 8.9761 122.1224 61.0273 34.8885 174.0312 68 E 4.4984 8.7905 128.8808 55.1602 30.1180 175.6812 69 V 3.9991 8.7094 129.7442 60.4847 31.7603 175.1062 70 P 4.6294 0.0000 0.0000 62.6934 28.5824 176.0687 71 L 4.3103 7.5381 123.0769 56.2032 42.6700 178.1648 72 Q 4.2908 8.5204 120.2720 55.3753 30.5923 174.2580 73 N 4.0294 9.1877 125.1980 54.5385 37.3263 174.9789 74 G 3.8827 8.1600 103.6817 46.0432 0.0000 172.3203 75 T 4.9591 7.2322 113.3016 59.0446 70.7406 172.2371 76 I 4.6068 7.9381 122.4917 58.9290 38.6161 174.5246 77 P 4.4073 0.0000 0.0000 65.9725 31.4664 175.4551 78 H 4.7082 7.4054 111.3241 54.6493 30.3030 171.1195 79 E 5.1448 9.0846 118.1735 54.3338 31.7446 175.6000 80 I 4.7624 8.3219 116.1408 59.0737 41.8564 173.8935 81 E 4.9118 8.6555 122.8575 54.7787 32.1238 174.4276 82 V 4.5564 8.5812 126.7760 61.0708 34.7804 173.8558 83 E 5.0897 8.8606 125.9293 54.6406 32.0688 175.5675 84 F 4.6980 9.9439 128.5153 56.9246 41.2465 176.7282 85 G 3.6591 8.3386 121.3711 46.1458 0.0000 172.0482 86 A 4.6863 8.8872 125.3710 51.3753 20.6884 175.7802 87 S 5.1749 7.9532 113.8399 56.7477 65.4188 173.2047 88 K 5.1097 8.8724 125.3718 54.5471 35.2092 174.4039 89 I 4.9219 8.9289 127.2980 59.1382 41.4693 174.1142 90 V 4.6487 8.5352 127.7265 61.1463 34.2153 173.8877 91 L 5.1588 8.5557 127.6558 52.8435 44.4151 175.5133 92 K 4.7587 9.5137 125.3426 53.6131 35.4749 173.6662 93 P 4.7618 0.0000 0.0000 63.1665 31.8818 175.3129 94 A 4.8515 8.5543 122.5402 49.9900 22.5857 175.6949 95 A 4.2127 8.4439 122.2246 50.8617 19.4073 175.6623 96 P 5.1881 0.0000 0.0000 63.4147 31.7912 177.7417 97 G 3.9715 8.7556 107.2527 46.2962 0.0000 175.0387 98 T 3.9274 7.6567 115.3150 65.9999 69.0240 175.0244 99 G 3.7333 8.9816 106.6453 43.2757 0.0000 172.0571 100 V 4.1740 7.7832 118.4572 61.4992 31.3362 175.4254 101 I 4.2619 8.6286 127.9088 60.1367 36.7782 174.4837 102 A 4.8249 7.4298 126.4723 50.9189 22.4709 175.9539 103 G 3.6738 8.7198 107.7556 45.0062 0.0000 174.7255 104 A 3.9528 8.8134 122.8686 55.7793 18.0859 180.0417 105 V 3.5635 7.8322 116.4013 65.3029 31.6360 176.0267 106 P 4.2313 0.0000 0.0000 65.7470 30.9024 178.4491 107 R 3.7772 8.1512 118.4059 59.4538 30.2007 178.0820 108 A 3.6835 7.7900 120.0376 55.3907 18.3100 179.8143 109 I 3.6174 7.5256 118.0971 64.4301 37.1479 178.6347 110 L 3.9384 8.0138 119.8653 57.8599 41.5103 179.3962 111 E 4.0882 9.0006 119.5126 59.5918 29.4772 179.5157 112 L 4.0796 7.8498 117.7246 57.0066 41.6723 178.6403 113 A 4.2310 7.7931 119.8645 52.7460 18.1539 178.4448 114 G 3.9035 7.9299 105.4796 45.4710 0.0000 173.5692 115 V 4.0777 7.7063 119.0301 61.7272 32.2449 175.4545 116 T 4.4056 8.3567 119.5476 62.5635 69.1412 173.2564 117 D 5.6964 8.4970 121.1451 51.6524 44.6649 174.8383 118 I 4.4274 8.1169 120.8247 60.1756 41.5505 172.4962 119 L 5.2482 9.1285 128.6123 53.4478 44.2468 175.6219 120 T 5.6833 8.1872 110.0636 60.5678 73.1694 172.5174 121 K 4.6544 8.2882 122.0545 55.3883 35.8746 174.1159 122 E 4.6880 8.8844 127.4492 55.7158 30.3592 175.7072 123 L 4.5428 9.2741 124.8904 52.8155 45.1273 177.4116 124 G 3.6564 8.6956 107.8116 46.3325 0.0000 174.0889 125 S 4.1130 9.0030 118.0165 58.7098 62.4962 175.1367 126 R 4.3467 8.5699 125.7842 56.2656 29.9856 175.7155 127 N 4.1218 7.9896 117.9641 53.8111 38.6938 172.7974 128 P 4.0860 0.0000 0.0000 66.2219 31.2666 177.9793 129 I 3.5832 7.7208 117.2166 65.2978 37.3777 178.1360 130 N 4.7016 8.6678 116.6497 56.2520 38.3396 177.8405 131 I 3.7482 8.2433 121.7407 64.2054 37.2591 177.8625 132 A 3.8950 8.3856 122.0292 55.7733 18.1670 179.3822 133 Y 3.7028 8.2267 114.7547 60.7456 37.7192 178.6844 134 A 3.9172 7.9763 121.6950 55.5062 18.4932 179.4079 135 T 3.7837 8.2947 114.5175 67.5652 68.5733 175.9577 136 M 3.9082 7.8887 119.8705 58.5806 31.9675 178.3227 137 E 3.8703 8.3076 117.8652 59.7559 29.5804 179.2847 138 A 3.9985 8.2711 119.2827 55.6162 18.6049 179.3073 139 L 3.9783 8.2144 116.9673 57.9918 41.5962 179.6850 140 R 3.4918 8.3308 118.2890 59.6083 30.0087 177.5682 141 Q 4.2914 7.8690 115.2228 55.4383 29.5039 176.1947 142 L 4.0697 8.0555 121.7415 54.9380 42.1482 176.5462 143 R 4.7694 8.4161 120.3844 54.3484 33.8886 175.1207 144 T 4.6920 8.4300 112.0454 59.1655 71.7775 174.2759 145 K 3.8433 8.6648 126.7976 59.8140 32.1970 178.2929 146 A 4.3230 7.9661 121.3867 54.7700 18.3095 178.8734 147 D 4.3382 8.0884 116.5542 57.6340 40.8724 179.2687 148 V 3.5816 8.2202 118.9633 66.0644 31.5211 177.9362 149 E 3.9950 8.6407 117.3157 58.9586 29.3589 179.0474 150 R 3.9145 7.9477 120.3588 59.3023 29.9597 178.3443 151 L 4.1151 7.6797 117.7865 57.6826 41.7865 178.8573 152 R 4.2964 7.8517 114.6891 56.9344 30.1150 178.2732 153 K 4.1087 7.6475 119.9081 56.5096 33.6910 175.8241 154 G 3.4829 7.7361 109.9783 46.4768 0.0000 173.7360 *155 E 4.1319 7.8906 117.2370 56.3925 30.4399 177.2557 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 5 D 8.36 4.55 0.00 2.50 1.73 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 6 F 8.82 4.86 0.00 3.02 2.88 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 7 E 9.21 4.95 0.00 2.04 1.87 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 2.20 2.23 0.00 8 E 8.70 5.73 0.00 2.05 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 0.00 2.19 2.13 0.00 9 K 8.67 4.77 0.00 1.81 1.63 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.39 7.81 10 M 8.45 4.92 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 11 I 8.77 4.01 1.88 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 1.26 0.76 0.90 0.00 0.00 12 L 7.40 4.62 0.00 1.67 1.73 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.52 5.37 2.00 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 1.46 0.68 0.98 0.00 0.00 14 R 9.44 4.80 0.00 1.88 2.10 0.00 2.79 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 15 R 8.77 5.15 0.00 1.50 1.75 0.00 2.37 0.00 0.00 3.58 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.50 0.00 16 T 8.19 4.52 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 1.26 0.00 0.00 17 A 8.19 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.88 4.64 0.00 1.78 1.95 0.00 2.73 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 19 M 8.40 4.71 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 20 Q 8.69 4.36 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 21 A 8.53 4.06 1.26 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 22 G 8.74 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 0.00 0.00 0.00 23 G 7.58 4.21 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 0.00 24 R 7.69 4.40 0.00 1.21 1.25 0.00 3.13 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 25 R 8.44 4.30 0.00 1.56 1.72 0.00 3.07 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 26 F 8.69 5.07 0.00 2.86 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 27 R 8.26 4.80 0.00 1.72 1.77 0.00 3.07 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 28 F 9.42 5.32 0.00 3.12 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.42 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.09 5.43 1.26 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 31 L 9.78 5.22 0.00 1.86 1.58 0.83 0.68 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 32 V 9.14 4.83 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 0.96 0.00 0.00 0.98 0.00 0.00 33 V 9.26 4.81 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 0.89 0.00 0.00 0.91 0.00 0.00 34 V 8.24 4.87 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 0.41 0.00 0.00 0.99 0.00 0.00 35 G 9.34 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 36 D 8.54 5.01 0.00 2.95 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 37 R 7.98 4.12 0.00 1.97 2.03 0.00 3.30 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 38 Q 9.06 4.49 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.16 0.00 0.00 0.00 0.00 0.00 2.30 2.65 0.00 39 G 9.41 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 40 R 7.87 4.95 0.00 2.18 1.77 0.00 3.15 0.00 0.00 3.72 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 41 V 8.54 4.79 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 0.77 0.00 0.00 0.84 0.00 0.00 42 G 8.76 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.51 5.08 0.00 1.52 1.23 0.28 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.99 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 45 F 9.13 5.64 0.00 2.93 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 46 G 8.88 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.56 5.70 0.00 1.47 1.65 0.00 1.18 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.09 0.59 7.81 48 A 8.40 4.65 1.27 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 0.00 0.00 0.00 49 P 0.00 4.38 0.00 2.11 2.23 0.00 3.68 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 2.07 2.14 0.00 50 E 7.89 4.29 0.00 1.97 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 2.15 2.22 0.00 51 V 7.10 3.30 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 0.90 0.00 0.00 0.13 0.00 0.00 52 P 0.00 4.24 0.00 2.13 1.96 0.00 3.42 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 2.02 2.07 0.00 53 L 7.80 4.25 0.00 1.85 1.92 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.10 3.94 1.49 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 0.00 0.00 55 V 8.45 3.53 2.22 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 1.09 0.00 0.00 0.99 0.00 0.00 56 Q 8.54 3.96 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 57 K 8.44 3.91 0.00 2.07 2.05 0.00 1.96 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.71 1.46 7.81 58 A 8.40 4.32 1.56 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 59 G 8.34 3.74 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 0.00 0.00 0.00 60 Y 8.00 4.18 0.00 2.99 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 61 Y 7.79 3.99 0.00 3.27 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 62 A 8.02 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.76 3.69 0.00 1.81 2.14 0.00 3.23 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.74 0.00 64 R 7.30 4.21 0.00 1.67 1.85 0.00 2.59 0.00 0.00 2.97 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 65 N 8.72 4.98 0.00 2.80 2.82 0.00 0.00 7.04 6.41 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 66 M 8.11 5.00 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 67 V 8.98 4.35 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 0.92 0.00 0.00 0.89 0.00 0.00 68 E 8.79 4.50 0.00 2.00 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 2.25 2.36 0.00 69 V 8.71 4.00 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 0.79 0.00 0.00 0.89 0.00 0.00 70 P 0.00 4.63 0.00 2.19 2.07 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 71 L 7.54 4.31 0.00 1.65 1.64 1.00 0.92 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 72 Q 8.52 4.29 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.36 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 73 N 9.19 4.03 0.00 2.84 2.85 0.00 0.00 7.30 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.16 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 0.00 0.00 0.00 75 T 7.23 4.96 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 1.28 0.00 0.00 76 I 7.94 4.61 1.84 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 1.43 0.53 0.88 0.00 0.00 77 P 0.00 4.41 0.00 2.23 2.16 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 78 H 7.41 4.71 0.00 3.18 3.34 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.08 5.14 0.00 1.85 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 0.00 2.22 2.19 0.00 80 I 8.32 4.76 1.90 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 1.41 0.66 0.99 0.00 0.00 81 E 8.66 4.91 0.00 1.94 1.84 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 2.19 2.29 0.00 82 V 8.58 4.56 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 1.07 0.00 0.00 0.95 0.00 0.00 83 E 8.86 5.09 0.00 1.88 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 84 F 9.94 4.70 0.00 2.95 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 85 G 8.34 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.89 4.69 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 87 S 7.95 5.17 0.00 4.03 3.84 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 88 K 8.87 5.11 0.00 1.82 1.62 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 I 8.93 4.92 1.89 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 1.12 1.60 0.92 0.00 0.00 90 V 8.54 4.65 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 0.93 0.00 0.00 0.94 0.00 0.00 91 L 8.56 5.16 0.00 1.66 1.53 0.91 0.18 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 92 K 9.51 4.76 0.00 1.73 1.65 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.36 7.81 93 P 0.00 4.76 0.00 2.11 2.26 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 94 A 8.55 4.85 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 95 A 8.44 4.21 1.27 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 0.00 0.00 0.00 96 P 0.00 5.19 0.00 2.05 2.00 0.00 3.79 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 97 G 8.76 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 98 T 7.66 3.93 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 1.21 0.00 0.00 99 G 8.98 3.73 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 0.00 0.00 0.00 100 V 7.78 4.17 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 0.83 0.00 0.00 0.98 0.00 0.00 101 I 8.63 4.26 1.99 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 1.16 0.87 0.91 0.00 0.00 102 A 7.43 4.82 1.17 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 0.00 0.00 103 G 8.72 3.67 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 0.00 0.00 0.00 104 A 8.81 3.95 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.83 3.56 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 1.07 0.00 0.00 0.92 0.00 0.00 106 P 0.00 4.23 0.00 2.28 2.29 0.00 3.78 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 2.31 2.12 0.00 107 R 8.15 3.78 0.00 1.89 2.13 0.00 3.11 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 108 A 7.79 3.68 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 0.00 109 I 7.53 3.62 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.14 0.83 0.00 0.00 110 L 8.01 3.94 0.00 1.79 1.69 0.92 0.85 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 0.00 111 E 9.00 4.09 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 112 L 7.85 4.08 0.00 1.73 1.71 0.97 0.67 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 0.00 113 A 7.79 4.23 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.93 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 0.00 115 V 7.71 4.08 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 0.82 0.00 0.00 0.91 0.00 0.00 116 T 8.36 4.41 4.23 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 1.27 0.00 0.00 117 D 8.50 5.70 0.00 2.52 2.60 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 0.00 118 I 8.12 4.43 1.86 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 1.34 1.26 0.90 0.00 0.00 119 L 9.13 5.25 0.00 1.67 1.53 0.92 0.37 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 0.00 120 T 8.19 5.68 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 1.20 0.00 0.00 121 K 8.29 4.65 0.00 1.86 1.64 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.54 7.81 122 E 8.88 4.69 0.00 1.89 1.89 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 2.28 2.34 0.00 123 L 9.27 4.54 0.00 1.53 1.56 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.70 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 125 S 9.00 4.11 0.00 3.81 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 0.00 126 R 8.57 4.35 0.00 1.85 1.94 0.00 3.57 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 127 N 7.99 4.12 0.00 2.76 2.76 0.00 0.00 7.16 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 0.00 128 P 0.00 4.09 0.00 2.17 2.03 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 129 I 7.72 3.58 1.96 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 1.11 0.00 1.00 0.00 0.00 130 N 8.67 4.70 0.00 2.83 3.20 0.00 0.00 7.16 7.52 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 0.00 131 I 8.24 3.75 2.09 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 1.65 1.08 1.01 0.00 0.00 132 A 8.39 3.89 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 0.00 133 Y 8.23 3.70 0.00 2.36 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 0.00 134 A 7.98 3.92 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.29 3.78 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 1.17 0.00 0.00 136 M 7.89 3.91 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 137 E 8.31 3.87 0.00 2.18 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 2.31 2.57 0.00 138 A 8.27 4.00 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 0.00 139 L 8.21 3.98 0.00 1.78 1.68 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.33 3.49 0.00 1.72 2.14 0.00 3.51 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 141 Q 7.87 4.29 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 142 L 8.06 4.07 0.00 1.60 1.51 0.87 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.42 4.77 0.00 1.83 1.84 0.00 3.33 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 144 T 8.43 4.69 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 1.28 0.00 0.00 145 K 8.66 3.84 0.00 1.86 1.84 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.56 7.81 146 A 7.97 4.32 1.33 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 0.00 0.00 147 D 8.09 4.34 0.00 2.90 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 0.00 148 V 8.22 3.58 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 1.13 0.00 0.00 0.98 0.00 0.00 149 E 8.64 3.99 0.00 2.19 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 2.51 2.34 0.00 150 R 7.95 3.91 0.00 2.14 2.06 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 151 L 7.68 4.12 0.00 1.83 1.71 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.85 4.30 0.00 1.78 1.96 0.00 3.16 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 153 K 7.65 4.11 0.00 2.09 1.76 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.45 7.81 154 G 7.74 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *155 E 7.89 4.13 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.