NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4487 8.2893 120.3488 55.3183 33.5327 176.0252 2 E 3.9825 8.5527 122.4959 58.2552 29.8061 177.3017 3 D 4.4092 8.1018 120.6629 57.6576 41.2517 179.6149 4 E 3.9498 8.3173 117.1337 59.7985 29.1293 179.0071 5 N 4.3002 8.1374 117.0450 56.1042 38.7840 177.2226 6 I 3.7027 7.8325 120.7045 64.5358 37.3096 178.1811 7 L 3.9782 8.2229 119.7928 57.9708 41.6293 179.6346 8 R 3.9627 8.5038 118.8300 59.3133 29.8710 178.4211 9 N 4.3416 8.6028 116.5747 56.3041 38.6612 177.1082 10 A 3.9982 7.8195 121.6697 55.2131 18.3320 179.8882 11 V 3.5269 7.7269 116.1472 66.1494 31.6465 177.8629 12 N 4.3814 8.0243 115.7695 56.5375 38.4574 177.1992 13 L 4.0024 8.1636 121.5649 57.9714 42.0380 179.0028 14 Q 3.9628 8.1495 118.1431 58.9221 28.2262 178.6509 15 V 3.5328 7.9596 119.4602 66.0911 31.3887 178.0854 16 L 3.8895 7.7714 118.2845 57.9241 41.1931 179.4805 17 K 4.2088 8.0995 119.7094 58.9948 31.7013 179.0690 18 F 4.1081 8.3250 120.4499 61.3640 39.3202 176.4484 19 H 4.3107 7.4498 114.1293 56.8285 29.2813 174.9108 20 Y 4.7098 8.5314 119.5117 55.7208 39.5001 173.9451 21 P 4.6347 0.0000 0.0000 64.0757 31.9530 178.2504 22 E 4.4228 8.1957 117.2848 58.4072 29.7552 176.9526 23 I 3.9384 7.8365 119.6647 61.6664 36.9732 175.6477 24 E 4.6518 8.9723 126.6658 56.4206 32.0874 175.8236 25 S 4.7322 7.9099 112.7400 56.6390 66.3925 172.4156 26 I 4.6285 8.3330 126.5869 60.3054 38.0620 175.4931 27 I 4.0613 9.5623 130.1752 63.7943 37.4784 175.4843 28 D 4.7991 7.8011 118.7400 53.5112 45.1155 173.1236 29 I 5.1802 8.1989 120.3968 59.5588 41.3617 174.6114 30 A 4.7184 8.9825 127.8394 50.0682 21.2206 177.2314 31 S 3.8820 8.8946 117.2619 60.9313 63.1015 172.7953 32 H 5.2269 8.0739 120.5498 54.6052 32.5123 171.9512 33 V 5.1385 9.2169 126.0806 61.0040 34.6645 173.9218 34 A 5.2824 9.0549 128.5781 50.2673 22.1657 175.2680 35 V 4.8364 8.3441 121.3863 61.6602 33.6780 174.4066 36 Y 5.3176 9.4612 124.7412 56.4409 42.3916 174.0197 37 Q 5.2908 9.3168 121.7354 53.5790 33.5125 173.0695 38 F 4.8852 8.9355 122.1770 57.2850 41.4363 174.8742 39 D 4.1079 7.5173 122.0763 55.2528 38.0918 173.2105 *44 K 3.9748 7.6833 119.6491 55.6042 35.3022 176.4692 45 W 4.5712 7.7940 119.3226 56.5809 29.7891 175.8263 46 L 4.9710 9.3409 124.3062 52.7262 44.4860 175.6082 47 K 4.0211 8.7827 124.3374 56.4494 33.0027 176.3915 48 T 4.6268 7.7641 123.7802 61.9245 70.1841 175.2217 49 S 4.2249 8.6210 116.6042 60.6434 63.7863 174.5868 50 I 4.2462 7.6341 123.2817 60.6603 37.5934 174.4935 51 E 5.1101 8.5553 124.0525 55.1857 33.5868 174.4978 52 G 4.1128 8.1455 114.1176 46.6270 0.0000 170.9587 53 T 4.8437 7.5629 117.9081 62.6744 70.0293 173.7474 54 F 5.2866 9.3237 129.1450 56.6929 41.6655 174.2609 55 F 5.0113 8.9930 124.6116 55.5038 42.2815 173.8753 56 L 4.6417 9.5306 127.9887 54.3985 42.8543 175.8169 57 V 4.7765 9.0263 120.2173 59.4427 35.3866 174.6880 58 K 5.0655 8.8350 123.7862 54.6894 34.9486 175.4288 59 D 4.9214 9.5062 127.7502 53.7523 42.6356 176.8921 60 Q 4.0078 8.6222 122.3658 59.0924 29.1142 177.5009 61 R 4.2489 7.9491 113.7976 56.1012 29.9860 176.3401 62 A 3.8128 7.9567 119.4464 52.6337 16.6721 178.4196 63 R 4.1517 7.7002 118.3600 57.1468 31.3334 176.3835 64 V 4.2769 8.6485 124.6706 63.3682 33.2898 175.2982 65 G 4.6489 9.1573 112.9594 46.3558 0.0000 171.1494 66 Y 5.2642 7.9644 116.5749 55.3631 41.9048 174.1626 67 V 4.5965 8.5295 121.6984 61.2211 34.1049 174.1866 68 I 5.0137 8.4214 128.6989 59.9425 39.0082 175.1961 69 L 4.6904 9.2183 129.1074 53.4515 41.4281 175.4410 70 N 4.5905 8.9942 122.5283 54.5205 38.9591 174.8547 71 R 4.2864 9.4559 124.7336 57.6178 30.3496 177.1461 72 N 4.6902 8.4588 115.1802 54.2445 39.8241 174.5027 73 S 4.5831 7.3569 110.5612 56.9633 65.4289 173.0833 74 P 4.6240 0.0000 0.0000 63.0933 30.4558 177.0879 75 E 4.3598 7.5822 121.7911 54.9680 28.1324 175.3104 76 N 4.8687 8.2381 121.9316 52.3168 40.4656 173.6998 77 L 4.8667 8.2840 121.7049 53.7207 45.1696 174.9643 78 Y 5.1705 8.2128 125.8609 56.1295 41.2146 173.7449 79 L 4.4781 7.8164 125.9318 52.7023 46.0242 175.8208 80 F 4.9295 8.3772 120.4754 56.8508 40.5725 175.8203 81 I 4.3780 8.2144 123.6584 59.9797 37.0661 175.5434 82 N 4.4440 8.9227 125.5200 55.8558 39.0074 175.9805 83 H 5.0170 7.7783 113.4217 53.2014 32.7084 172.2224 84 P 4.2229 0.0000 0.0000 65.9985 31.2244 178.2356 85 S 4.3855 8.0110 109.3405 59.8612 63.1406 174.0685 86 N 4.8420 8.6189 119.4832 53.6655 38.5380 174.3251 87 V 5.7632 7.2648 116.4642 60.9473 34.9515 174.2585 88 H 5.0721 8.8748 121.3022 54.7118 33.6415 172.5808 89 L 4.8720 8.0659 121.4097 52.6025 42.2831 176.1446 90 V 4.4023 7.9744 123.3081 62.1399 34.4384 174.8079 91 D 4.5447 9.8117 123.3397 55.5010 38.4573 174.7519 92 R 3.7472 8.1777 113.7051 56.7205 27.7357 175.6358 93 Y 4.5597 8.2928 116.7676 56.5317 40.5823 174.6772 94 L 4.7183 8.4926 124.9595 53.9577 43.4830 175.0870 95 I 4.9561 9.1931 128.8379 60.4080 39.2905 174.5713 96 H 5.4540 9.2408 126.0541 54.6424 32.8796 172.4662 97 R 4.8110 9.2347 126.4401 55.0417 29.8573 176.8171 98 T 4.0302 8.3627 121.1457 62.8266 69.5723 174.8289 99 E 4.0808 8.9198 123.7013 59.8778 29.2706 178.8867 100 N 4.4541 8.2869 113.3367 53.0611 37.9949 174.9397 101 Q 3.1239 7.6909 114.2150 57.2058 28.5111 173.7355 102 H 4.6718 7.5506 113.2160 56.5203 30.5441 174.9369 103 V 4.5810 8.3485 120.9845 61.6349 33.0605 174.5217 104 V 4.6832 8.9330 129.0062 61.4621 33.9925 174.6974 105 G 4.1927 9.7645 114.5466 44.4549 0.0000 171.5746 106 L 5.1857 8.7284 126.6453 52.9818 43.9708 175.5918 107 W 4.4049 9.1111 135.0000 55.5007 31.9904 174.5733 108 M 4.4029 7.7643 127.4749 54.9307 31.1163 176.5062 109 F 3.7437 8.7711 124.1273 59.9210 40.0489 175.5556 110 D 4.5312 7.9143 118.8771 52.2299 41.6564 174.7538 111 P 3.9541 0.0000 0.0000 65.6629 31.2453 178.3241 112 N 4.2594 8.4694 115.3652 56.2824 38.3576 176.9411 113 D 4.2765 7.9492 119.7433 57.6899 40.9137 177.9643 114 M 3.7042 7.4615 118.0975 59.1809 32.0883 178.4104 115 S 4.0973 7.8784 114.3296 61.6770 63.1077 176.8884 116 R 3.9288 8.0456 121.3042 59.2995 29.7986 178.7072 117 I 3.7138 8.0792 119.8520 64.3251 37.2184 177.7186 118 F 4.0384 8.0407 121.5040 61.7547 39.1423 177.0866 119 N 4.1850 8.3846 115.4964 56.4943 38.4379 177.4145 120 I 3.7404 7.8527 119.7874 63.6220 37.9938 178.0208 121 V 3.5408 8.2934 119.7461 65.9676 31.1700 177.9420 122 K 3.7688 7.4078 116.6140 59.6915 32.0418 178.8497 123 E 4.0896 8.1410 118.5749 59.5561 29.1497 179.6021 124 S 4.2370 8.4636 114.5508 60.4840 62.9493 175.5989 125 L 4.5742 7.6228 119.4953 54.1877 41.7828 176.9250 126 L 3.9679 7.8282 121.3400 52.6688 41.8349 176.1600 127 R 4.0894 8.5869 121.5509 56.8868 31.1084 175.3481 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 M 8.29 4.45 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 E 8.55 3.98 0.00 2.32 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 0.00 2.36 2.46 0.00 3 D 8.10 4.41 0.00 2.70 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 4 E 8.32 3.95 0.00 2.19 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 2.59 2.43 0.00 5 N 8.14 4.30 0.00 2.96 2.91 0.00 0.00 7.00 7.30 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 6 I 7.83 3.70 2.00 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 1.65 0.80 0.92 0.00 0.00 7 L 8.22 3.98 0.00 2.00 1.72 0.92 0.86 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 8 R 8.50 3.96 0.00 1.85 2.17 0.00 3.11 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 9 N 8.60 4.34 0.00 2.92 2.87 0.00 0.00 6.81 6.83 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 10 A 7.82 4.00 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 11 V 7.73 3.53 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 1.12 0.00 0.00 1.02 0.00 0.00 12 N 8.02 4.38 0.00 3.10 3.08 0.00 0.00 6.71 6.34 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 13 L 8.16 4.00 0.00 1.87 1.68 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.15 3.96 0.00 2.43 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 15 V 7.96 3.53 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 16 L 7.77 3.89 0.00 1.64 1.58 0.61 0.04 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 17 K 8.10 4.21 0.00 1.94 1.90 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.44 7.81 18 F 8.32 4.11 0.00 2.96 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 19 H 7.45 4.31 0.00 2.81 2.20 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.53 4.71 0.00 2.87 2.90 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 21 P 0.00 4.63 0.00 2.05 2.10 0.00 3.80 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 2.00 1.98 0.00 22 E 8.20 4.42 0.00 2.15 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 0.00 2.49 2.35 0.00 23 I 7.84 3.94 2.08 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.57 0.90 0.00 0.00 24 E 8.97 4.65 0.00 1.97 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 2.23 2.28 0.00 25 S 7.91 4.73 0.00 3.91 3.65 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 26 I 8.33 4.63 1.95 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 1.44 0.78 1.04 0.00 0.00 27 I 9.56 4.06 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.95 0.00 0.00 28 D 7.80 4.80 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.20 5.18 1.80 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 0.99 0.71 0.64 0.00 0.00 30 A 8.98 4.72 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 31 S 8.89 3.88 0.00 3.83 3.86 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 32 H 8.07 5.23 0.00 3.10 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.22 5.14 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 0.94 0.00 0.00 0.71 0.00 0.00 34 A 9.05 5.28 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 35 V 8.34 4.84 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.13 0.00 0.00 36 Y 9.46 5.32 0.00 2.97 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 37 Q 9.32 5.29 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 38 F 8.94 4.89 0.00 2.87 2.85 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 39 D 7.52 4.11 0.00 2.80 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 *44 K 7.68 3.97 0.00 1.10 0.74 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.20 7.81 45 W 7.79 4.57 0.00 3.08 3.03 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 46 L 9.34 4.97 0.00 1.60 1.60 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.78 4.02 0.00 1.80 1.67 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 0.88 7.81 48 T 7.76 4.63 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 1.26 0.00 0.00 49 S 8.62 4.22 0.00 3.99 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 50 I 7.63 4.25 1.95 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 1.52 0.99 1.03 0.00 0.00 51 E 8.56 5.11 0.00 2.04 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 2.37 2.56 0.00 52 G 8.15 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 53 T 7.56 4.84 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 54 F 9.32 5.29 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.99 5.01 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 56 L 9.53 4.64 0.00 1.92 1.86 1.19 0.87 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 57 V 9.03 4.78 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.81 0.00 0.00 58 K 8.83 5.07 0.00 1.82 1.66 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.39 7.81 59 D 9.51 4.92 0.00 3.14 2.65 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 60 Q 8.62 4.01 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 61 R 7.95 4.25 0.00 1.77 1.89 0.00 3.29 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 62 A 7.96 3.81 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.70 4.15 0.00 1.83 1.68 0.00 2.79 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 64 V 8.65 4.28 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 1.05 0.00 0.00 0.98 0.00 0.00 65 G 9.16 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 66 Y 7.96 5.26 0.00 2.31 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 67 V 8.53 4.60 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 0.81 0.00 0.00 0.01 0.00 0.00 68 I 8.42 5.01 2.05 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 1.11 0.00 0.00 69 L 9.22 4.69 0.00 1.83 1.72 0.81 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.99 4.59 0.00 2.80 2.94 0.00 0.00 7.16 6.94 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 71 R 9.46 4.29 0.00 1.90 1.97 0.00 3.12 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 72 N 8.46 4.69 0.00 2.84 2.88 0.00 0.00 6.76 7.57 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 73 S 7.36 4.58 0.00 3.97 3.94 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 74 P 0.00 4.62 0.00 2.08 2.13 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 75 E 7.58 4.36 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 76 N 8.24 4.87 0.00 2.75 2.99 0.00 0.00 6.94 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 77 L 8.28 4.87 0.00 1.85 1.62 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.21 5.17 0.00 2.34 2.33 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 79 L 7.82 4.48 0.00 1.00 1.33 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.38 4.93 0.00 2.89 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 81 I 8.21 4.38 1.98 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.68 0.98 0.00 0.00 82 N 8.92 4.44 0.00 2.66 2.64 0.00 0.00 6.92 8.16 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 83 H 7.78 5.02 0.00 3.22 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.22 0.00 2.16 2.08 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 85 S 8.01 4.39 0.00 4.02 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 86 N 8.62 4.84 0.00 2.98 3.03 0.00 0.00 6.29 7.27 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 87 V 7.26 5.76 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 1.19 0.00 0.00 1.05 0.00 0.00 88 H 8.87 5.07 0.00 3.22 3.17 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.07 4.87 0.00 1.10 1.33 0.39 0.56 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 90 V 7.97 4.40 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 1.15 0.00 0.00 0.99 0.00 0.00 91 D 9.81 4.54 0.00 3.16 2.93 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 92 R 8.18 3.75 0.00 1.92 1.80 0.00 2.96 0.00 0.00 2.98 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 93 Y 8.29 4.56 0.00 2.85 2.61 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 94 L 8.49 4.72 0.00 1.67 1.46 1.20 0.76 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 95 I 9.19 4.96 2.02 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 1.50 0.62 1.04 0.00 0.00 96 H 9.24 5.45 0.00 3.35 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 9.23 4.81 0.00 1.91 1.94 0.00 3.26 0.00 0.00 3.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 98 T 8.36 4.03 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 1.26 0.00 0.00 99 E 8.92 4.08 0.00 2.06 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 2.39 2.41 0.00 100 N 8.29 4.45 0.00 2.89 2.75 0.00 0.00 7.08 7.61 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 0.00 101 Q 7.69 3.12 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 102 H 7.55 4.67 0.00 3.19 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.35 4.58 1.75 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 0.68 0.00 0.00 0.69 0.00 0.00 104 V 8.93 4.68 2.41 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 1.14 0.00 0.00 1.09 0.00 0.00 105 G 9.76 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.73 5.19 0.00 1.63 1.45 0.63 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 107 W 9.11 4.40 0.00 3.19 2.85 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 0.00 108 M 7.76 4.40 0.00 1.82 1.57 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 109 F 8.77 3.74 0.00 2.94 3.23 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 0.00 110 D 7.91 4.53 0.00 2.64 2.65 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 0.00 111 P 0.00 3.95 0.00 2.05 1.89 0.00 3.53 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 112 N 8.47 4.26 0.00 2.82 2.81 0.00 0.00 6.95 7.61 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 0.00 113 D 7.95 4.28 0.00 2.70 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 0.00 114 M 7.46 3.70 0.00 1.97 1.72 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 115 S 7.88 4.10 0.00 3.90 3.89 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 0.00 0.00 0.00 116 R 8.05 3.93 0.00 1.99 1.90 0.00 3.40 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 1.67 0.00 117 I 8.08 3.71 1.78 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 1.53 0.53 1.02 0.00 0.00 118 F 8.04 4.04 0.00 3.15 3.24 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 0.00 119 N 8.38 4.18 0.00 2.90 2.86 0.00 0.00 6.77 6.83 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 0.00 120 I 7.85 3.74 1.96 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 1.43 1.21 1.03 0.00 0.00 121 V 8.29 3.54 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 0.94 0.00 0.00 1.03 0.00 0.00 122 K 7.41 3.77 0.00 1.75 1.72 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.53 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.96 1.01 7.81 123 E 8.14 4.09 0.00 2.16 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 2.31 2.45 0.00 124 S 8.46 4.24 0.00 3.89 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 0.00 125 L 7.62 4.57 0.00 1.72 1.68 0.98 0.90 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 0.00 126 L 7.83 3.97 0.00 1.85 1.62 0.90 0.90 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 0.00 127 R 8.59 4.09 0.00 1.94 1.83 0.00 3.49 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.