NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 Q 4.2576 8.3449 119.6738 55.2823 30.8144 175.7196 24 P 4.0024 0.0000 0.0000 61.2620 31.6485 173.9310 25 P 4.1514 0.0000 0.0000 63.2596 32.5662 175.2520 26 Q 4.3984 7.7940 118.3016 54.6315 30.6111 174.0646 27 D 4.5658 7.9183 117.5225 51.7466 42.7629 175.6787 28 L 4.1317 8.3535 127.0927 57.4328 41.8643 178.8767 29 A 3.9497 8.0847 120.1910 55.0159 18.2626 179.3956 30 A 3.8554 8.4426 119.3607 55.1414 18.5166 179.6599 31 E 4.0158 8.2920 117.0847 59.8981 29.5621 179.6306 32 Q 3.9344 8.3717 118.2320 59.1396 28.7174 179.2177 33 S 3.9842 8.0255 116.1872 61.0338 62.7677 176.6910 34 V 3.7728 8.1164 121.4190 66.2552 31.3128 178.1534 35 L 4.1853 8.0568 118.5306 57.7777 41.3305 179.8179 36 G 3.6772 8.4781 106.1292 47.6167 0.0000 176.0560 37 G 3.6945 8.2171 108.2024 47.9625 0.0000 175.7459 38 M 4.1032 7.8657 120.1874 58.1013 31.7930 178.6503 39 L 4.3718 8.0644 120.2610 56.3609 41.5986 178.5076 40 L 4.5776 7.3851 116.7167 54.1049 42.2374 176.6934 41 S 4.4566 7.2808 113.5414 55.8377 65.5549 174.3663 42 K 4.1450 8.9454 129.2668 59.8354 31.9245 178.3052 43 D 4.4108 8.2202 118.4416 57.2743 40.7267 178.4448 44 A 3.9992 7.8304 121.5173 55.1280 18.3471 179.6593 45 I 3.4732 7.5208 117.9196 64.4022 36.6268 178.4075 46 A 3.9344 7.7691 120.9686 55.3575 18.0193 179.2773 47 D 4.1146 7.5947 116.4189 57.4693 41.1474 178.9012 48 V 3.7757 7.9288 118.8168 65.7856 31.3249 177.8908 49 L 4.0966 7.8314 118.0614 57.9706 41.5940 178.7474 50 E 4.2764 7.5894 115.1866 57.5592 29.5717 177.4489 51 R 4.5889 8.0830 116.0962 55.3153 32.5981 175.3401 52 L 5.0228 7.8112 115.5511 52.7468 45.4915 175.6608 53 R 4.8837 8.3457 118.9915 53.5984 33.0642 175.4611 54 P 4.3629 0.0000 0.0000 65.8641 31.4867 178.9842 55 G 3.7373 8.0860 105.4543 47.9160 0.0000 174.2632 56 D 4.4108 8.1090 119.5818 56.3822 41.0747 176.8014 57 F 4.4609 7.6674 118.7385 57.0444 39.6310 175.0225 58 Y 4.1898 9.9090 127.7886 60.6390 39.0314 177.0521 59 R 3.9787 8.0749 119.4836 55.1774 31.0413 175.5270 60 P 4.3243 0.0000 0.0000 65.7107 31.4070 178.2511 61 A 3.9629 7.9287 118.8440 55.7126 18.1679 179.2776 62 H 4.1732 8.0323 113.9627 58.9585 28.8238 177.7233 63 Q 3.8636 7.9631 119.8618 59.1391 28.5804 178.9599 64 N 4.3260 8.1993 117.2064 56.2653 38.6093 177.5995 65 V 3.5747 7.8030 119.6068 66.1193 31.5705 177.3814 66 Y 3.9560 7.9708 119.1982 60.8226 38.5422 177.6820 67 D 4.2958 8.3098 119.5500 57.3162 40.9330 178.7118 68 A 3.9544 8.0875 121.0799 55.2418 18.4002 179.6672 69 I 3.6097 7.7169 118.1974 64.6923 37.1158 178.7944 70 L 4.0605 7.8296 119.6995 57.4745 41.1323 179.0599 71 D 4.2691 8.3333 118.4032 57.2419 41.2369 177.8220 72 L 4.0095 7.8533 119.4894 58.3187 41.7696 179.0640 73 Y 4.1778 8.5409 119.4572 60.8213 38.5447 178.4864 74 G 3.6871 8.4315 105.1777 46.7550 0.0000 174.7915 75 R 4.5280 7.3717 118.5536 55.0806 30.3796 176.4342 76 G 3.7723 7.5596 105.9114 46.2550 0.0000 173.2901 77 E 4.4528 7.9836 119.9090 53.2011 30.8076 174.1174 78 P 4.1330 0.0000 0.0000 63.4636 31.7708 176.2240 79 A 4.5614 8.5829 126.1950 49.9118 18.7592 174.4430 80 D 5.2388 8.8067 123.0950 49.9354 43.9662 176.5329 81 A 3.9593 8.5303 120.1764 55.6531 18.0323 179.9533 82 V 3.5197 7.9900 116.4407 66.4932 31.7366 178.4708 83 T 3.9227 8.0758 109.1009 64.7085 68.5813 176.4746 84 V 3.5652 8.2151 121.2655 65.6085 31.4645 177.7523 85 A 3.9771 7.9720 120.0781 55.1965 18.2753 179.4214 86 A 3.9290 7.9847 119.1838 55.3566 18.3162 179.5421 87 E 3.9168 8.1498 117.8406 59.3007 29.6140 179.0590 88 L 3.9943 8.3062 119.5601 57.6118 41.6930 178.7208 89 D 4.3304 8.4177 118.4104 57.6802 40.9215 178.7061 90 R 3.9786 7.6947 116.8508 59.1673 30.1640 178.5471 91 R 4.2405 7.7122 115.3450 55.8801 30.5750 176.3457 92 G 3.8337 8.0800 106.7322 47.0990 0.0000 174.2887 93 L 4.7282 8.1888 117.1115 53.0135 44.2884 178.8973 94 L 4.0078 8.2237 123.4777 58.8652 42.1498 179.4362 95 R 3.9995 8.0807 122.4810 62.0555 29.1733 181.1843 96 R 4.1500 7.8751 120.2814 61.1693 29.6295 180.1924 97 I 4.1416 7.7067 111.5590 61.4212 37.6039 176.6825 98 G 3.8646 8.0480 109.6757 44.7263 0.0000 175.2224 99 G 3.9669 9.0057 110.4395 44.5448 0.0000 174.3155 100 A 4.0408 8.4947 118.8876 54.7727 18.0939 177.9560 101 P 4.2480 0.0000 0.0000 66.0695 31.4539 178.1214 102 Y 4.1236 7.8430 117.5632 60.6816 38.7097 177.8783 103 L 3.9161 7.9654 119.7302 57.9952 41.5901 179.0223 104 H 4.1628 8.3872 118.2544 59.3728 29.7873 177.3800 105 T 3.6735 7.6636 117.5812 66.5478 67.9242 176.3478 106 L 3.7489 7.4434 120.6075 58.0135 41.4370 179.8244 107 I 3.7030 7.3409 118.1565 64.4469 37.0539 178.4724 108 S 4.2065 7.9602 115.4642 61.5194 62.6262 176.6114 109 T 4.0703 7.4328 118.2357 65.0988 68.4771 175.9206 110 V 3.4248 6.7492 119.6269 61.4343 31.5917 174.0071 111 P 4.3806 0.0000 0.0000 65.1118 31.7920 176.7108 112 T 4.6307 8.1068 113.9991 61.7041 72.3996 175.1183 113 A 4.0911 8.8938 129.4890 55.1297 18.6985 179.0067 114 A 4.1600 8.0488 117.0481 54.5230 18.7721 177.5296 115 N 4.8230 8.0997 112.3783 53.0286 38.9347 176.6326 116 A 4.3271 8.0166 123.4244 55.5556 18.2438 180.5911 117 G 3.3758 7.9048 103.4942 48.1012 0.0000 175.4113 118 Y 4.0246 7.6224 118.9609 61.0533 37.8375 178.1782 119 Y 4.3942 7.4173 117.0343 60.9311 37.9711 178.1136 120 A 3.9598 8.3580 122.1990 55.2040 18.4000 179.6783 121 S 4.0410 8.1212 113.6385 61.8231 62.9179 177.0136 122 I 3.6783 7.5586 122.2469 64.5001 36.8668 178.5792 123 V 3.4711 7.7676 118.6865 65.8745 31.2129 177.8994 124 A 3.8515 8.2480 120.8415 55.0746 18.2352 179.1562 125 E 3.8404 8.3564 118.0535 59.4925 29.6262 179.2527 126 K 3.9672 8.2067 118.2490 59.2482 31.9727 179.2181 127 A 3.9514 8.0931 121.3209 54.8855 18.2689 179.3657 128 L 3.8560 8.0494 118.8862 58.4122 42.2185 179.1425 129 L 3.9644 7.8441 118.8660 57.9504 41.5540 179.6377 130 R 3.9263 8.2899 118.7865 59.4055 29.9402 178.8114 131 R 3.9782 8.3218 118.1907 58.6863 29.8804 178.7631 132 L 3.8784 7.9076 120.4818 58.0832 42.0702 178.9951 133 V 3.5500 7.6365 118.0835 66.2360 31.5252 177.7747 134 E 3.9125 8.2988 117.8567 59.2513 29.2444 179.2663 135 A 4.0091 8.4079 121.2437 55.1123 18.5341 179.7922 136 G 3.5626 8.2295 104.4694 48.3317 0.0000 175.8320 137 T 3.8756 8.0557 118.7216 66.3808 68.4765 176.8976 138 R 3.7286 7.8183 117.5445 58.9110 29.5370 179.2297 139 V 3.5288 7.7646 113.4555 64.0061 31.6043 178.4052 140 V 3.5889 7.9002 120.5009 66.9217 31.2460 178.6616 141 Q 4.1841 7.9546 120.1745 60.6885 27.6379 180.2156 142 Y 4.7608 7.8096 117.7806 60.7922 37.9118 178.4590 143 G 3.6644 7.9805 106.1557 48.0348 0.0000 175.0591 144 Y 4.3599 7.7339 116.3081 58.3297 38.3758 175.7675 145 A 4.6071 7.2450 123.3093 51.7873 21.2536 178.7263 146 G 3.5620 8.1447 108.7951 46.9222 0.0000 176.5174 *153 A 4.2922 8.5613 128.0434 52.3674 20.2710 179.3796 154 E 3.9734 8.2881 114.3230 60.3144 30.0007 183.2178 155 V 4.2051 7.6157 118.9333 65.1896 32.9240 178.3938 156 V 3.7448 7.9174 121.1479 66.8391 31.2308 180.7232 157 D 4.5925 7.9649 123.4719 59.1842 39.8910 181.7582 158 R 4.1177 7.8751 121.9000 61.1289 29.2275 180.5021 159 A 4.4819 8.2558 121.4171 54.9719 18.0968 179.4424 160 Q 3.9042 8.1937 117.9666 59.3425 29.1521 178.3616 161 A 4.1655 8.2535 121.7378 55.5369 18.2184 179.3336 162 E 3.9572 7.9425 115.1326 59.2259 29.6085 178.7038 163 I 4.0555 7.0370 115.9756 62.1907 38.6214 176.5727 164 Y 4.3994 7.2207 115.8809 59.8409 38.0012 175.9227 165 D 4.5075 8.0029 118.3399 55.6946 41.7785 176.0879 166 V 3.7753 7.7031 122.6569 63.5720 31.4770 175.2565 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 23 Q 8.34 4.26 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 24 P 0.00 4.00 0.00 1.59 1.95 0.00 3.52 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 2.02 2.16 0.00 25 P 0.00 4.15 0.00 2.12 1.97 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 26 Q 7.79 4.40 0.00 1.98 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.03 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 27 D 7.92 4.57 0.00 2.65 2.52 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 0.00 0.00 0.00 0.00 28 L 8.35 4.13 0.00 1.78 1.82 1.01 1.14 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 29 A 8.08 3.95 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 30 A 8.44 3.86 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.29 4.02 0.00 2.39 2.28 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 2.33 2.56 0.00 32 Q 8.37 3.93 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 33 S 8.03 3.98 0.00 3.29 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.12 3.77 2.47 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 1.32 0.00 0.00 1.08 0.00 0.00 35 L 8.06 4.19 0.00 1.90 1.69 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.48 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.22 3.69 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 38 M 7.87 4.10 0.00 2.00 2.32 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 2.89 2.59 0.00 39 L 8.06 4.37 0.00 1.87 1.71 0.90 0.52 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 40 L 7.39 4.58 0.00 1.59 1.73 0.93 1.20 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 41 S 7.28 4.46 0.00 3.75 3.87 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 42 K 8.95 4.14 0.00 1.93 1.85 0.00 1.84 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.73 1.77 7.81 43 D 8.22 4.41 0.00 2.74 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 44 A 7.83 4.00 1.44 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 0.00 0.00 0.00 45 I 7.52 3.47 1.40 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.04 0.00 0.00 46 A 7.77 3.93 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 47 D 7.59 4.11 0.00 2.73 2.66 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 48 V 7.93 3.78 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 1.31 0.00 0.00 1.02 0.00 0.00 49 L 7.83 4.10 0.00 1.84 1.76 0.83 0.83 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 50 E 7.59 4.28 0.00 1.75 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 2.35 2.54 0.00 51 R 8.08 4.59 0.00 1.84 1.87 0.00 3.15 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 52 L 7.81 5.02 0.00 1.59 1.31 0.51 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.35 4.88 0.00 1.85 1.85 0.00 3.35 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 54 P 0.00 4.36 0.00 2.31 2.47 0.00 3.74 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 55 G 8.09 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 56 D 8.11 4.41 0.00 2.48 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 57 F 7.67 4.46 0.00 3.06 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 58 Y 9.91 4.19 0.00 2.88 3.13 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 59 R 8.07 3.98 0.00 1.96 1.67 0.00 3.22 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 60 P 0.00 4.32 0.00 2.07 2.05 0.00 3.47 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 2.04 0.00 61 A 7.93 3.96 1.18 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 0.00 0.00 0.00 62 H 8.03 4.17 0.00 3.38 3.08 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 63 Q 7.96 3.86 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.71 0.00 64 N 8.20 4.33 0.00 2.87 2.86 0.00 0.00 6.70 7.09 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 65 V 7.80 3.57 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 1.00 0.00 0.00 1.06 0.00 0.00 66 Y 7.97 3.96 0.00 2.59 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 67 D 8.31 4.30 0.00 2.90 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 68 A 8.09 3.95 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 69 I 7.72 3.61 1.83 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 1.49 0.65 0.81 0.00 0.00 70 L 7.83 4.06 0.00 1.67 1.63 0.74 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.33 4.27 0.00 2.88 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 72 L 7.85 4.01 0.00 1.93 1.92 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.54 4.18 0.00 3.03 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 74 G 8.43 3.69 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 75 R 7.37 4.53 0.00 1.85 1.92 0.00 3.29 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 76 G 7.56 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.98 4.45 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 78 P 0.00 4.13 0.00 2.09 2.03 0.00 3.68 0.00 0.00 3.66 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 79 A 8.58 4.56 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 80 D 8.81 5.24 0.00 2.94 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 81 A 8.53 3.96 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 82 V 7.99 3.52 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 1.05 0.00 0.00 0.93 0.00 0.00 83 T 8.08 3.92 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 1.27 0.00 0.00 84 V 8.22 3.57 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 1.09 0.00 0.00 0.93 0.00 0.00 85 A 7.97 3.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.98 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.92 0.00 2.11 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 0.00 2.30 2.39 0.00 88 L 8.31 3.99 0.00 1.86 1.71 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.42 4.33 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.69 3.98 0.00 2.01 1.98 0.00 3.21 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 91 R 7.71 4.24 0.00 1.85 1.97 0.00 3.48 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 92 G 8.08 3.83 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 0.00 0.00 0.00 93 L 8.19 4.73 0.00 1.77 1.63 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.22 4.01 0.00 1.85 1.67 0.95 1.03 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 95 R 8.08 4.00 0.00 1.86 1.92 0.00 3.31 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 96 R 7.88 4.15 0.00 1.90 1.88 0.00 3.23 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 97 I 7.71 4.14 1.92 0.00 0.00 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 1.49 1.20 0.97 0.00 0.00 98 G 8.05 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 0.00 0.00 0.00 99 G 9.01 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 0.00 100 A 8.49 4.04 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 0.00 101 P 0.00 4.25 0.00 2.24 2.17 0.00 3.72 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 2.15 2.18 0.00 102 Y 7.84 4.12 0.00 3.13 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 0.00 103 L 7.97 3.92 0.00 1.91 1.70 0.95 0.85 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 H 8.39 4.16 0.00 3.24 3.51 0.00 5.79 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 0.00 105 T 7.66 3.67 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 106 L 7.44 3.75 0.00 1.68 1.58 0.86 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.34 3.70 1.82 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 1.51 0.43 0.89 0.00 0.00 108 S 7.96 4.21 0.00 3.80 3.83 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 T 7.43 4.07 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 1.17 0.00 0.00 110 V 6.75 3.42 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 0.70 0.00 0.00 1.09 0.00 0.00 111 P 0.00 4.38 0.00 2.23 2.19 0.00 3.25 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 112 T 8.11 4.63 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 1.25 0.00 0.00 113 A 8.89 4.09 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 0.00 114 A 8.05 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.10 4.82 0.00 2.75 2.39 0.00 0.00 6.69 6.79 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 0.00 116 A 8.02 4.33 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.90 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.62 4.02 0.00 2.78 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 0.00 119 Y 7.42 4.39 0.00 3.20 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 0.00 120 A 8.36 3.96 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 0.00 121 S 8.12 4.04 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 0.00 122 I 7.56 3.68 2.12 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 1.00 0.97 0.00 0.00 123 V 7.77 3.47 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 0.53 0.00 0.00 0.85 0.00 0.00 124 A 8.25 3.85 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.84 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 126 K 8.21 3.97 0.00 1.89 1.80 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.57 7.81 127 A 8.09 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 3.86 0.00 1.75 1.85 0.92 0.51 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 0.00 129 L 7.84 3.96 0.00 1.87 1.68 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.29 3.93 0.00 2.11 2.08 0.00 3.36 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 131 R 8.32 3.98 0.00 2.03 1.96 0.00 3.19 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 132 L 7.91 3.88 0.00 1.96 1.80 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.64 3.55 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 1.04 0.00 0.00 0.91 0.00 0.00 134 E 8.30 3.91 0.00 2.28 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 2.34 2.35 0.00 135 A 8.41 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.23 3.56 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 0.00 137 T 8.06 3.88 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 1.18 0.00 0.00 138 R 7.82 3.73 0.00 1.53 1.97 0.00 3.22 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.40 0.00 139 V 7.76 3.53 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 0.85 0.00 0.00 0.95 0.00 0.00 140 V 7.90 3.59 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 1.14 0.00 0.00 0.94 0.00 0.00 141 Q 7.95 4.18 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 142 Y 7.81 4.76 0.00 3.09 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 0.00 143 G 7.98 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 0.00 144 Y 7.73 4.36 0.00 3.06 2.97 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 0.00 145 A 7.24 4.61 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 0.00 146 G 8.14 3.56 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 *153 A 8.56 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.29 3.97 0.00 2.08 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 2.23 1.93 0.00 155 V 7.62 4.21 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 1.06 0.00 0.00 0.85 0.00 0.00 156 V 7.92 3.74 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 0.75 0.00 0.00 0.93 0.00 0.00 157 D 7.96 4.59 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 R 7.88 4.12 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 159 A 8.26 4.48 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 160 Q 8.19 3.90 0.00 2.52 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.88 2.57 0.00 161 A 8.25 4.17 1.47 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 0.00 162 E 7.94 3.96 0.00 2.21 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 2.69 2.68 0.00 163 I 7.04 4.06 1.73 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 1.16 0.08 0.82 0.00 0.00 164 Y 7.22 4.40 0.00 3.02 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 0.00 165 D 8.00 4.51 0.00 2.91 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 0.00 166 V 7.70 3.78 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 0.80 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.