NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 3.9952 8.0249 120.7834 59.6417 37.7766 175.2911 3 P 4.2713 0.0000 0.0000 61.2761 33.5362 174.9891 4 R 3.9703 8.7251 120.5723 59.3516 30.5206 178.7134 5 R 3.9361 7.9983 118.2418 59.5121 30.1485 178.3223 6 I 3.9000 7.9291 119.0929 64.7988 37.1297 178.3589 7 T 3.9394 7.7245 115.6553 66.5625 68.2366 176.6181 8 K 3.9753 8.2477 121.4815 59.5601 32.1599 178.7418 9 E 3.9930 8.7826 119.2969 59.6229 29.3536 179.2649 10 T 4.0824 8.3742 116.1591 67.0596 68.5224 176.6404 11 Q 4.0473 8.3481 119.8158 58.9582 28.6523 178.2993 12 N 4.3139 8.4747 118.3012 56.7517 38.7722 176.9824 13 L 3.9876 8.1236 119.4335 57.3728 41.7327 178.8373 14 A 4.2460 7.6617 119.7999 54.5097 18.7064 178.6528 15 N 4.6818 8.3561 113.9123 54.0792 40.6136 175.6573 16 E 4.7091 8.1027 118.5113 53.7982 29.7943 173.3777 17 P 4.5278 0.0000 0.0000 61.2048 33.1951 175.7020 18 P 4.3692 0.0000 0.0000 61.7429 31.9564 174.1761 19 P 4.3988 0.0000 0.0000 64.5368 31.7466 176.9981 20 G 4.0054 9.1231 109.9542 45.4665 0.0000 172.2579 21 I 5.0740 7.6892 119.7484 59.5767 40.2139 175.0674 22 M 4.9465 9.1123 124.9732 53.5828 36.0879 174.2908 23 A 5.2917 8.6245 124.3410 50.4207 22.4755 175.6257 24 V 4.7184 8.8867 121.8797 59.3310 35.0400 173.1170 25 P 4.0038 0.0000 0.0000 62.1942 32.3558 176.0734 26 V 3.7480 8.8373 122.5823 61.6681 32.0903 175.3720 27 P 4.2144 0.0000 0.0000 65.9739 30.9859 177.3029 28 E 4.0952 8.0421 116.5417 57.9795 30.1445 176.2385 29 N 4.7899 8.2379 118.6144 52.3764 41.0024 174.4039 30 Y 4.1674 8.8644 124.6754 59.0784 38.6258 176.4909 31 R 4.1781 7.6090 118.7013 56.4238 31.7500 175.0486 32 H 5.5305 7.8719 120.4957 54.5235 31.8878 173.1445 33 F 5.1270 9.4974 124.8384 55.6898 42.0545 174.4343 34 N 5.0380 9.0027 121.0085 52.7967 40.2348 174.3258 35 I 5.1694 8.7111 123.0619 59.5712 41.6413 174.1084 36 L 5.2938 8.8932 126.2933 53.0153 44.7023 175.4729 37 I 4.9882 8.6667 123.7838 59.2103 40.4227 174.6086 38 N 4.8958 9.3622 127.2459 53.3587 39.7745 174.7495 39 G 4.5632 9.3804 113.8161 45.2100 0.0000 171.4365 40 P 4.7482 0.0000 0.0000 62.3066 32.7238 176.1101 41 D 4.5203 8.7290 122.4677 55.8114 41.3219 176.6765 42 G 3.9429 9.3172 110.4273 46.3161 0.0000 173.3513 43 T 4.6986 7.1974 108.5492 58.2211 71.5653 173.2277 44 P 4.1583 0.0000 0.0000 65.5062 31.3488 177.1014 45 Y 4.9863 7.0529 115.5842 57.5928 38.0696 174.8129 46 E 4.4991 7.4458 122.1446 57.2744 29.9846 177.9029 47 G 4.1537 9.1736 114.2326 45.4208 0.0000 173.9077 48 G 4.1588 7.6618 105.8185 45.9915 0.0000 172.9316 49 T 5.0152 8.7942 120.0461 61.8981 70.2532 173.5779 50 Y 4.6566 8.7413 124.9385 56.1331 40.5116 175.3016 51 K 4.8514 9.3196 124.7829 55.8445 34.0216 176.0744 52 L 5.1919 9.1654 123.2192 52.9945 46.7858 174.9552 53 E 5.2388 8.9163 118.2304 54.5411 32.9621 174.5468 54 L 5.2674 8.8179 123.3138 53.3022 45.9381 174.6886 55 F 5.4982 9.5024 127.5095 56.4763 42.6859 173.7199 56 L 4.2590 7.9256 126.7018 52.2416 41.9731 174.8883 57 P 3.9061 0.0000 0.0000 61.3390 32.4929 176.8941 58 E 3.8642 8.7872 118.8552 59.5146 29.4884 177.3468 59 Q 4.4737 7.9094 115.4244 55.7812 28.9239 174.4856 60 Y 4.5519 7.7494 120.4236 57.1647 38.9018 173.5452 61 P 3.7045 0.0000 0.0000 62.5893 31.6505 177.3674 62 M 4.3094 7.9598 120.2296 57.6769 32.0810 176.3035 63 E 4.7980 7.7569 116.6339 53.1710 33.1642 173.8186 64 P 2.9700 0.0000 0.0000 61.1829 31.9371 174.4622 65 P 4.2075 0.0000 0.0000 62.5957 32.3325 175.7885 66 K 4.4677 8.9195 122.1194 55.3879 33.7908 176.0986 67 V 5.0431 8.1847 123.5618 61.3459 34.9536 174.2862 68 R 4.9758 8.6381 122.0829 54.5944 33.4938 174.2638 69 F 4.6426 9.6871 120.4295 57.8991 39.6152 176.0283 70 L 4.5826 9.0878 121.9059 55.5317 43.4891 176.8211 71 T 4.4336 8.0700 115.8489 61.8067 69.3676 175.0281 72 K 3.9241 8.5440 128.0587 56.6707 32.7176 175.6104 73 I 4.8893 8.1436 124.3258 59.8291 40.9371 173.8365 74 Y 4.3465 8.8531 128.3558 56.6337 38.1662 173.8682 75 H 4.3924 7.8528 125.8597 53.6557 32.9701 172.6654 76 P 4.0458 0.0000 0.0000 65.1464 31.2030 176.6220 77 N 4.7605 8.0765 114.2459 52.6625 39.0868 173.7411 78 I 4.8163 7.4434 119.7357 59.3752 40.1626 175.3720 79 D 4.7654 8.3719 125.8163 52.0509 41.3940 176.9319 80 K 4.2140 8.5831 117.1080 58.7318 32.0919 177.7766 81 L 4.4268 8.2776 116.9328 54.2084 42.4021 177.1366 82 G 4.3914 8.1809 107.4975 46.3795 0.0000 173.6329 83 R 4.4285 8.3876 119.4039 56.0549 31.3739 175.5424 84 I 4.7864 8.2574 123.1094 59.7525 39.6101 175.1193 85 C 4.4444 8.8921 128.7656 58.1974 31.4866 172.2457 86 L 4.6897 8.0703 127.1015 53.0879 45.1918 176.0325 87 D 4.4442 9.1992 126.6267 57.7068 40.8163 178.9759 88 I 4.1436 7.6443 108.6763 62.2935 37.8289 176.5651 89 L 4.2344 7.7907 120.1503 55.6341 42.0287 176.7646 90 K 4.2153 7.8045 116.9995 55.8313 33.3001 176.4992 91 D 4.7961 8.4581 123.5542 56.0049 43.3756 177.0840 92 K 4.4360 7.8151 117.8364 56.4376 32.5796 176.1904 93 W 4.7932 8.0907 127.8794 56.7155 32.0252 175.0574 94 S 4.3099 6.4644 116.9454 55.5458 64.9091 173.1310 95 P 4.3448 0.0000 0.0000 64.3463 31.2592 177.6143 96 A 3.9920 7.3376 120.5406 54.2449 18.5393 178.0894 97 L 4.0605 6.8257 115.5350 54.4094 42.4756 176.3779 98 Q 5.0055 8.2706 118.7337 53.7465 33.0947 176.2546 99 I 3.6614 8.9503 120.4293 64.6847 36.9822 178.2660 100 R 3.8767 8.1054 118.7753 60.1171 29.7395 178.3896 101 T 3.8982 7.9247 114.6144 66.4870 68.4622 176.6178 102 V 3.6566 7.7821 119.6465 66.1776 31.5908 178.1502 103 L 3.9584 8.0097 118.6355 57.7636 41.3335 179.5629 104 L 4.0185 8.0878 119.0015 57.7298 41.4464 179.7750 105 S 4.1251 8.2865 115.2338 61.6523 62.7155 176.7125 106 I 3.7089 7.8750 122.5209 64.3658 36.7190 178.2178 107 Q 3.9348 8.2681 120.1525 59.2749 28.8262 178.3062 108 A 3.9641 8.3710 122.1154 55.0448 18.1583 179.3343 109 L 4.0260 8.0577 118.5071 58.2482 42.1506 178.9569 110 L 4.0683 7.5620 118.1689 57.5442 41.5501 179.0356 111 S 4.6333 7.4987 113.8499 59.4054 64.1046 174.5318 112 S 4.6330 7.9715 117.6197 55.2787 62.8349 171.8331 113 P 4.3415 0.0000 0.0000 62.4256 32.3321 176.4549 114 E 4.5253 9.2125 122.0503 54.0817 28.8591 174.6127 115 P 4.5829 0.0000 0.0000 63.1081 31.9653 176.5376 116 D 4.9740 7.7463 118.0281 54.5566 41.3168 175.9168 117 D 4.8115 7.4657 114.9865 54.1127 41.9405 176.0641 *120 D 4.6627 8.2527 118.4882 52.6538 41.3673 176.6645 121 S 4.2402 7.7036 113.3047 57.5687 64.4255 174.5541 122 K 3.8846 8.7334 127.6961 59.7833 31.8574 179.7423 123 V 3.4757 7.7078 117.4562 65.9773 31.6025 177.7507 124 A 3.9919 7.9221 120.0626 55.1831 18.1613 179.0480 125 E 3.9250 8.4881 117.9938 59.6377 29.6855 178.5450 126 H 4.2370 8.2772 118.1444 59.3246 29.6942 177.3389 127 F 3.9786 8.1535 118.8217 59.9883 38.7278 177.7697 128 K 4.1591 7.8184 117.6401 59.6450 32.0383 179.1642 129 Q 4.3460 8.0834 117.0005 57.7624 29.9236 176.7158 130 D 4.5846 7.9802 120.7931 50.8122 42.0004 174.9538 131 K 3.8255 8.5160 125.1471 59.2795 32.3570 177.3096 132 N 4.2271 7.9974 116.5640 56.5660 38.9272 176.1877 133 D 4.2475 8.0960 119.1832 57.0092 41.2747 178.0845 134 A 3.5438 7.6663 121.3817 54.9870 18.1222 179.5200 135 E 3.8911 8.0913 117.1008 59.3796 29.3418 179.0940 136 H 4.1043 7.8026 118.4351 59.0181 29.9268 177.4466 137 V 3.2849 7.6334 119.8398 65.8924 31.2771 177.8241 138 A 4.0701 7.9592 120.5617 55.2625 18.0524 179.6176 139 R 4.2544 8.0632 118.6163 59.0681 30.0946 178.8218 140 Q 4.0838 7.8625 117.8796 58.6221 28.6689 178.5225 141 W 4.4209 8.6457 120.2211 59.7565 29.0228 177.9929 142 N 4.5394 8.6896 117.2535 56.7092 38.1833 176.8845 143 K 3.9910 7.8029 119.9925 59.4467 32.3882 178.7657 144 I 3.6531 7.5688 118.9139 64.4406 37.1686 177.3964 145 Y 4.5757 8.5408 115.0760 58.2614 38.6102 176.4499 146 A 4.5495 7.7298 121.6902 51.4823 19.4144 175.8937 147 N 4.8567 7.8886 115.5151 53.5276 38.2493 174.8677 148 N 4.5925 8.4473 114.6822 54.1796 39.2596 175.4127 149 N 4.5264 8.0331 120.8029 53.4162 38.6666 174.8175 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 2 I 8.02 4.00 1.58 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.73 0.80 0.00 0.00 3 P 0.00 4.27 0.00 2.41 2.04 0.00 3.90 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 4 R 8.73 3.97 0.00 1.99 1.95 0.00 3.30 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.25 0.00 5 R 8.00 3.94 0.00 1.96 2.00 0.00 3.24 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.80 0.00 6 I 7.93 3.90 2.11 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.79 1.21 0.00 0.00 7 T 7.72 3.94 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 8 K 8.25 3.98 0.00 2.03 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.65 7.81 9 E 8.78 3.99 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 10 T 8.37 4.08 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 11 Q 8.35 4.05 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 12 N 8.47 4.31 0.00 2.83 3.02 0.00 0.00 7.25 6.98 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 13 L 8.12 3.99 0.00 1.85 1.74 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.66 4.25 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 15 N 8.36 4.68 0.00 2.78 2.89 0.00 0.00 6.83 8.25 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 16 E 8.10 4.71 0.00 2.01 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 2.23 2.21 0.00 17 P 0.00 4.53 0.00 2.37 2.27 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 18 P 0.00 4.37 0.00 2.20 2.02 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 19 P 0.00 4.40 0.00 2.05 2.03 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 20 G 9.12 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 0.00 0.00 0.00 21 I 7.69 5.07 2.01 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 1.22 0.73 0.89 0.00 0.00 22 M 9.11 4.95 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 23 A 8.62 5.29 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 24 V 8.89 4.72 2.12 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 0.76 0.00 0.00 0.93 0.00 0.00 25 P 0.00 4.00 0.00 1.75 1.10 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 26 V 8.84 3.75 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 1.08 0.00 0.00 0.83 0.00 0.00 27 P 0.00 4.21 0.00 2.20 2.17 0.00 3.77 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 1.97 1.99 0.00 28 E 8.04 4.10 0.00 1.96 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 2.30 2.35 0.00 29 N 8.24 4.79 0.00 2.66 2.64 0.00 0.00 6.78 7.31 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 30 Y 8.86 4.17 0.00 3.07 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 31 R 7.61 4.18 0.00 1.76 1.78 0.00 2.75 0.00 0.00 2.96 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 32 H 7.87 5.53 0.00 3.24 3.10 0.00 5.55 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 33 F 9.50 5.13 0.00 2.94 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 34 N 9.00 5.04 0.00 2.77 2.72 0.00 0.00 6.53 8.32 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 35 I 8.71 5.17 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.70 0.87 0.00 0.00 36 L 8.89 5.29 0.00 1.59 1.57 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.67 4.99 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.94 0.00 0.00 38 N 9.36 4.90 0.00 2.74 2.79 0.00 0.00 7.24 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 9.38 4.56 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 0.00 40 P 0.00 4.75 0.00 2.17 2.04 0.00 3.77 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 41 D 8.73 4.52 0.00 2.70 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 42 G 9.32 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 0.00 0.00 0.00 43 T 7.20 4.70 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 1.34 0.00 0.00 44 P 0.00 4.16 0.00 1.74 2.32 0.00 3.43 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.74 0.00 45 Y 7.05 4.99 0.00 3.12 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 46 E 7.45 4.50 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 47 G 9.17 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 0.00 0.00 0.00 48 G 7.66 4.16 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 0.00 49 T 8.79 5.02 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 1.23 0.00 0.00 50 Y 8.74 4.66 0.00 3.24 3.16 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 51 K 9.32 4.85 0.00 1.79 1.73 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.42 1.29 7.81 52 L 9.17 5.19 0.00 1.33 1.33 0.59 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.92 5.24 0.00 2.06 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 2.18 2.24 0.00 54 L 8.82 5.27 0.00 1.66 1.51 0.71 0.50 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 55 F 9.50 5.50 0.00 2.98 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 7.93 4.26 0.00 1.10 1.04 0.78 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 3.91 0.00 2.14 2.12 0.00 3.36 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 58 E 8.79 3.86 0.00 1.98 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 0.00 2.33 2.39 0.00 59 Q 7.91 4.47 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 60 Y 7.75 4.55 0.00 2.80 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 61 P 0.00 3.70 0.00 1.96 1.18 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 62 M 7.96 4.31 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 63 E 7.76 4.80 0.00 1.87 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 0.00 2.20 2.28 0.00 64 P 0.00 2.97 0.00 1.69 1.52 0.00 3.58 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 65 P 0.00 4.21 0.00 1.68 1.61 0.00 2.86 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 66 K 8.92 4.47 0.00 1.72 1.75 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.69 7.81 67 V 8.18 5.04 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 0.75 0.00 0.00 0.83 0.00 0.00 68 R 8.64 4.98 0.00 2.04 1.97 0.00 2.83 0.00 0.00 3.47 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 69 F 9.69 4.64 0.00 3.10 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.09 4.58 0.00 1.61 1.74 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.07 4.43 4.58 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 1.17 0.00 0.00 72 K 8.54 3.92 0.00 1.09 0.74 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.23 7.81 73 I 8.14 4.89 1.88 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 1.01 0.95 0.35 0.00 0.00 74 Y 8.85 4.35 0.00 2.04 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 75 H 7.85 4.39 0.00 2.87 2.73 0.00 5.73 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.05 0.00 1.95 1.82 0.00 2.60 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.17 0.00 77 N 8.08 4.76 0.00 2.81 2.81 0.00 0.00 6.93 7.26 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 78 I 7.44 4.82 1.54 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.32 0.69 0.00 0.00 79 D 8.37 4.77 0.00 2.93 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 80 K 8.58 4.21 0.00 1.81 1.96 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.58 1.55 7.81 81 L 8.28 4.43 0.00 1.73 1.70 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.18 4.39 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 0.00 83 R 8.39 4.43 0.00 2.16 1.87 0.00 3.08 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 1.66 1.63 0.00 84 I 8.26 4.79 1.91 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 0.92 0.95 0.00 0.00 85 C 8.89 4.44 0.00 2.95 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 86 L 8.07 4.69 0.00 1.71 1.44 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.20 4.44 0.00 2.77 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 88 I 7.64 4.14 2.17 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 1.51 1.06 1.02 0.00 0.00 89 L 7.79 4.23 0.00 1.86 1.73 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.80 4.22 0.00 1.86 1.64 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.39 7.81 91 D 8.46 4.80 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.82 4.44 0.00 1.83 1.83 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.38 7.81 93 W 8.09 4.79 0.00 3.56 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 94 S 6.46 4.31 0.00 3.58 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.34 0.00 1.96 2.02 0.00 3.59 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 96 A 7.34 3.99 1.14 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 0.00 0.00 97 L 6.83 4.06 0.00 0.46 1.25 0.67 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.27 5.01 0.00 2.66 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 99 I 8.95 3.66 1.78 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.76 0.57 0.00 0.00 100 R 8.11 3.88 0.00 1.87 1.96 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 101 T 7.92 3.90 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 1.21 0.00 0.00 102 V 7.78 3.66 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 1.00 0.00 0.00 1.19 0.00 0.00 103 L 8.01 3.96 0.00 1.83 1.65 0.82 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.09 4.02 0.00 1.86 1.72 0.92 0.72 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 0.00 105 S 8.29 4.13 0.00 4.07 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 0.00 106 I 7.88 3.71 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 1.42 1.51 0.93 0.00 0.00 107 Q 8.27 3.93 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 108 A 8.37 3.96 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 0.00 109 L 8.06 4.03 0.00 1.76 1.90 1.03 0.85 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 0.00 110 L 7.56 4.07 0.00 1.79 1.70 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.50 4.63 0.00 4.13 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 0.00 112 S 7.97 4.63 0.00 3.79 3.76 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 0.00 113 P 0.00 4.34 0.00 1.80 1.47 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 114 E 9.21 4.53 0.00 1.86 1.74 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 2.16 2.21 0.00 115 P 0.00 4.58 0.00 2.07 2.03 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 116 D 7.75 4.97 0.00 2.63 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 0.00 117 D 7.47 4.81 0.00 2.61 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 *120 D 8.25 4.66 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 0.00 121 S 7.70 4.24 0.00 3.90 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 0.00 122 K 8.73 3.88 0.00 1.84 1.91 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.49 7.81 123 V 7.71 3.48 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 0.46 0.00 0.00 0.82 0.00 0.00 124 A 7.92 3.99 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.49 3.92 0.00 2.20 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 2.32 2.38 0.00 126 H 8.28 4.24 0.00 3.43 3.46 0.00 5.66 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 0.00 127 F 8.15 3.98 0.00 3.13 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 0.00 128 K 7.82 4.16 0.00 2.04 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.50 7.81 129 Q 8.08 4.35 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.06 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 130 D 7.98 4.58 0.00 2.61 2.42 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 0.00 131 K 8.52 3.83 0.00 1.98 1.79 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.62 7.81 132 N 8.00 4.23 0.00 2.76 2.74 0.00 0.00 6.79 8.49 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 0.00 133 D 8.10 4.25 0.00 2.84 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 0.00 134 A 7.67 3.54 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.09 3.89 0.00 2.00 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 2.43 2.50 0.00 136 H 7.80 4.10 0.00 3.27 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.63 3.28 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 138 A 7.96 4.07 1.58 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 0.00 0.00 139 R 8.06 4.25 0.00 2.02 2.01 0.00 3.14 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 140 Q 7.86 4.08 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 141 W 8.65 4.42 0.00 3.74 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 0.00 142 N 8.69 4.54 0.00 3.33 3.19 0.00 0.00 6.83 6.10 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 0.00 143 K 7.80 3.99 0.00 1.78 1.99 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.49 7.81 144 I 7.57 3.65 1.48 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 1.31 0.63 -0.03 0.00 0.00 145 Y 8.54 4.58 0.00 3.08 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 0.00 146 A 7.73 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 N 7.89 4.86 0.00 2.82 2.84 0.00 0.00 6.20 8.04 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 0.00 148 N 8.45 4.59 0.00 2.74 2.90 0.00 0.00 6.93 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.03 4.53 0.00 2.87 2.71 0.00 0.00 6.79 7.04 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 * Residues marked with a * may have inaccurate shift predictions.