NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.4649 8.1844 120.6290 54.1939 43.0725 176.3089 1 V 3.7061 8.0929 123.4406 63.0649 32.2720 174.1055 2 K 4.6210 8.7499 121.2756 55.4024 37.0652 174.7710 3 K 4.6771 8.2553 120.9647 54.7227 34.2672 174.6615 4 V 4.9403 9.0943 128.2518 60.9812 34.6123 173.9663 5 L 4.8940 9.0564 128.7429 53.1792 44.4678 174.7778 6 L 4.9201 9.0918 129.9592 54.4771 43.4792 175.0775 7 I 5.0546 8.9428 128.1726 59.7587 39.6920 174.3793 8 N 5.4376 9.4752 124.8701 51.7411 41.0744 175.2305 9 G 4.4064 8.5451 114.2680 43.7479 0.0000 171.4045 10 P 4.3736 0.0000 0.0000 64.4348 31.2660 177.4656 11 N 4.5459 9.3336 116.3533 54.0199 38.0885 176.4286 12 L 4.1353 7.5471 117.9020 56.9091 41.8019 178.3632 13 N 4.4770 7.5137 115.3342 54.2883 37.3092 175.2824 14 L 4.5930 7.9304 118.8126 54.3744 43.2770 176.1733 15 L 4.3602 7.7097 120.5180 55.1401 41.2667 176.3075 16 G 3.9055 8.0794 110.9048 44.2907 0.0000 172.5192 17 T 4.4550 8.2965 114.8293 61.0229 69.4705 176.1524 18 R 3.9913 7.4263 121.6718 58.9461 30.7500 176.3455 *23 Y 4.6907 7.5829 117.7478 57.1671 40.3093 175.2655 24 G 3.8551 7.6929 107.9195 44.1381 0.0000 173.7587 25 T 4.3374 8.0638 108.0393 61.9835 68.6997 174.5063 26 T 4.2817 7.7976 120.0774 63.7863 69.2689 174.6994 27 S 5.4105 8.4982 120.4810 55.8642 65.1092 174.9023 28 L 3.8810 8.4778 122.8982 58.2961 41.8465 178.8433 29 S 4.6617 7.4953 110.9713 59.2538 63.6259 175.9335 30 D 4.2524 8.2047 122.4499 57.6432 40.7359 178.1279 31 I 3.6208 7.7652 119.6641 64.7163 36.7849 178.1768 32 E 3.8682 8.0929 118.9140 59.6026 29.2686 179.4971 33 Q 4.0103 7.9377 117.1906 58.2163 28.5612 178.4710 34 A 4.1134 7.6514 121.7738 54.3484 18.8556 179.2282 35 A 3.9203 7.9740 119.2212 55.6261 18.4024 179.8514 36 I 3.6515 8.0639 118.4903 64.6297 37.1684 178.3343 37 E 4.1243 8.0716 118.8677 58.4771 28.9567 178.6553 38 Q 3.9577 8.2403 120.0761 59.1345 29.0809 178.4615 39 A 3.9772 7.7430 121.5858 55.2118 18.4308 179.4753 40 K 3.8200 7.7489 117.0360 59.9271 31.9923 179.4357 41 L 4.0656 7.8258 117.1400 56.9508 41.4271 178.9079 42 K 4.1632 8.0214 117.7402 56.6034 31.6352 176.9403 43 N 4.3334 8.0296 115.4461 53.7832 36.8393 173.9899 44 N 4.9975 7.5284 114.6222 53.1605 37.7674 173.9853 45 D 4.4669 8.1244 112.9231 56.7245 38.6574 173.9597 46 S 4.8271 7.0971 114.2854 57.7436 65.4011 174.1233 47 E 4.7063 8.0985 116.3706 55.7462 33.6381 174.6938 48 V 4.9209 8.6464 126.7836 61.2503 33.5361 174.8575 49 L 4.6314 8.9124 128.4328 54.1093 43.5863 176.1936 50 V 5.0586 8.2223 113.3879 59.8677 35.1410 175.0315 51 F 4.9227 9.1626 125.2901 56.9773 43.0733 172.8291 52 Q 5.4564 7.7270 125.1457 53.6919 32.4653 173.7443 53 S 4.5980 8.2667 116.6234 57.7974 65.4575 174.6983 54 N 4.6364 8.9805 121.4449 54.3001 39.4185 175.7940 55 T 4.3244 7.5606 116.7759 61.7414 69.2521 174.4708 56 E 3.5318 8.7678 127.5222 59.3818 29.4699 178.7874 57 G 3.8324 7.9442 104.7681 48.2998 0.0000 175.3692 58 F 4.8356 8.0091 119.8205 60.2466 39.0715 177.8230 59 I 3.8662 8.0327 119.6503 64.3068 36.8906 178.4832 60 I 3.5378 7.9971 120.8889 64.5259 36.9847 177.9818 61 D 4.2342 8.4281 120.0446 57.6004 40.5548 179.1695 62 R 3.6141 7.7749 118.9157 59.2115 29.7752 178.6492 63 I 3.6108 7.4909 119.6793 64.3925 36.8807 178.1241 64 H 4.2137 7.9336 117.1902 58.7824 28.5858 177.1950 65 E 3.8467 8.1225 120.8476 59.4076 29.4196 178.4813 66 A 4.0908 8.1375 120.8841 55.2628 18.3352 179.4891 67 K 3.8535 7.8064 117.8082 59.8982 32.1101 179.1491 68 R 3.9642 7.5261 116.7005 59.2349 30.0448 178.1705 69 Q 4.3132 7.9065 115.1608 55.0860 29.2744 175.7809 70 G 4.0059 8.0952 108.2169 46.0008 0.0000 174.4381 71 V 3.7952 7.8682 118.5529 62.9663 32.0243 175.5811 72 G 4.1685 8.9193 113.6776 46.7714 0.0000 173.1556 73 F 4.8272 7.8049 120.9261 57.1224 43.1409 172.6418 74 V 4.9687 8.2507 123.9883 61.1228 34.7770 174.2021 75 V 4.8908 9.0330 128.2047 61.4239 33.3909 173.9786 76 I 5.0564 8.8687 128.6245 59.3135 41.2640 173.6873 77 N 5.3064 9.3318 127.8111 50.5614 39.6787 174.5049 78 A 4.3493 8.7120 126.0875 51.9996 19.8079 178.8127 79 G 3.7487 8.6593 107.1482 46.0017 0.0000 176.5600 80 A 4.0418 8.4635 121.7064 55.3252 18.1820 178.8458 81 Y 4.5525 7.5573 114.8742 61.5210 37.8530 178.9330 82 T 3.9568 8.1472 117.1102 66.5104 68.3179 175.1063 83 H 5.1067 8.2295 115.5536 56.2738 29.4076 175.6943 84 T 4.6800 7.9042 107.9632 60.8011 70.6476 173.6913 85 S 4.5432 8.2067 117.0272 55.7719 61.7213 174.3269 86 V 3.4269 7.6622 128.2683 65.2084 31.3075 177.7953 87 G 3.4524 7.7310 105.4395 47.4371 0.0000 175.5152 88 I 3.5874 7.9019 122.6195 64.1677 37.1546 178.1269 89 R 3.8253 7.4050 118.0262 59.9045 29.8687 178.3251 90 D 4.3865 8.2989 118.1074 57.0025 40.7716 178.7257 91 A 4.0150 8.0565 121.6134 55.1106 18.3952 179.6816 92 L 3.8482 7.8439 117.5006 57.9578 41.4313 179.7908 93 L 4.2467 7.9024 117.9402 57.3736 41.6143 179.4047 94 G 3.7155 8.3263 106.1300 47.3056 0.0000 175.0415 95 T 4.2633 7.9915 109.8043 60.6773 69.1482 175.4753 96 A 3.8794 7.5682 123.3459 53.1631 16.6655 177.0736 97 I 4.1433 7.0412 119.6019 61.1742 38.1649 174.5867 98 P 4.5748 0.0000 0.0000 62.9620 32.9153 174.7060 99 F 5.3515 7.2370 113.1209 56.9919 41.2745 172.5282 100 I 4.8639 8.4894 119.7401 59.5190 40.0895 174.1142 101 E 5.0333 8.9239 127.9191 55.0546 31.2036 174.7699 102 V 4.6543 8.8631 126.9060 61.3235 34.8600 173.7386 103 H 4.8371 8.7966 123.7593 53.9740 31.5418 174.2734 104 I 3.9123 8.7991 124.8154 64.0915 38.0452 175.9881 105 T 4.7761 7.7368 108.8624 59.4796 71.3795 173.4316 106 N 4.6035 8.2588 119.7702 52.0115 37.8790 175.0684 107 V 3.4803 8.2467 119.9572 64.6713 31.8039 178.5716 108 H 3.8153 7.8987 114.8370 57.9419 28.5926 175.9345 109 Q 4.2402 8.0269 117.2932 56.2825 28.8964 175.0981 110 R 4.6917 7.4997 117.2136 53.4950 33.4300 174.8280 111 E 3.7896 8.3715 116.5324 56.7996 29.9943 176.6241 112 P 3.6204 0.0000 0.0000 65.4377 31.2339 178.4148 113 F 4.2462 8.0943 112.4915 59.5855 37.5696 176.8231 114 R 3.7287 7.3651 118.6788 57.2813 30.1735 177.3223 115 H 4.2052 7.8606 115.0834 58.1807 28.9061 176.0182 116 Q 4.3038 7.4068 117.1894 55.3365 29.3623 175.3378 117 S 4.8090 8.0613 114.5900 57.2725 65.4298 173.2141 118 Y 4.5852 9.1732 124.1331 58.2041 38.3342 176.1332 119 L 4.7099 7.8238 120.7233 56.2116 42.6180 178.6385 120 S 4.3080 8.7776 114.9649 60.9075 62.7762 176.0905 121 D 4.3426 8.1088 116.0119 54.4197 39.6108 176.5750 122 K 4.3690 7.3406 118.1918 56.2013 33.6019 176.5724 123 A 2.8128 7.5239 122.0470 51.4448 18.8568 177.7845 124 V 3.7708 7.8063 121.4106 65.7272 32.2186 176.0623 125 A 4.6208 7.4550 119.4481 50.5131 22.9920 175.0832 126 V 4.7614 8.1829 118.4264 61.2084 34.2449 174.6775 127 I 4.6182 8.8200 129.6137 59.5629 39.5143 174.6392 128 C 4.9109 8.6343 121.7488 57.8917 32.1311 174.2341 129 G 3.9230 9.3231 112.2690 45.4427 0.0000 172.8895 130 L 4.4448 7.7972 119.0921 54.2649 42.6331 178.4804 131 G 3.9049 7.9353 106.3764 45.5199 0.0000 175.3359 132 V 3.8677 8.3766 116.7038 66.0606 31.5784 178.3178 133 Y 4.3734 8.3587 118.9694 59.8924 38.5259 177.7204 134 G 3.7168 7.8720 106.9006 48.4333 0.0000 175.0529 135 Y 4.1651 7.6191 119.2452 60.7692 38.0583 178.8208 136 T 4.1151 8.2914 117.1843 66.0764 68.6054 176.2768 137 A 3.7697 7.8437 122.5549 54.8972 18.3004 179.5088 138 A 3.9335 7.9979 119.3316 55.4462 18.3632 179.9917 139 I 3.6992 7.9537 118.3006 64.4505 36.8924 178.5655 140 E 3.9316 7.8802 118.5886 59.3945 29.6060 178.4282 141 Y 3.9860 8.0194 119.4377 60.3126 38.8563 177.5719 142 A 2.7556 7.8545 121.7405 54.8631 18.3303 179.2970 143 L 4.2167 7.8496 114.3561 56.1044 41.6609 177.5307 144 N 4.7887 7.4082 115.8771 52.8179 39.3623 173.2789 145 Y 4.1436 8.0863 120.9407 57.0828 39.6330 175.4093 146 Q 3.2291 7.3199 127.9434 55.2827 27.1988 176.2764 147 L 4.2563 8.2324 125.6742 55.2179 42.1534 176.5932 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 0 L 8.18 4.46 0.00 1.65 1.68 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 1 V 8.09 3.71 2.32 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 0.84 0.00 0.00 1.24 0.00 0.00 2 K 8.75 4.62 0.00 1.71 1.76 0.00 1.66 0.00 0.00 1.96 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.60 7.81 3 K 8.26 4.68 0.00 1.86 1.70 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.49 7.81 4 V 9.09 4.94 2.13 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 1.13 0.00 0.00 0.98 0.00 0.00 5 L 9.06 4.89 0.00 1.75 1.52 1.00 0.49 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 6 L 9.09 4.92 0.00 1.83 1.72 1.07 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.94 5.05 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.92 1.06 0.00 0.00 8 N 9.48 5.44 0.00 2.64 2.72 0.00 0.00 6.47 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 9 G 8.55 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 0.00 0.00 0.00 0.00 10 P 0.00 4.37 0.00 1.93 1.81 0.00 3.75 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.44 0.00 11 N 9.33 4.55 0.00 2.92 3.01 0.00 0.00 6.97 6.26 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 12 L 7.55 4.14 0.00 1.80 1.74 1.10 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.51 4.48 0.00 2.93 3.06 0.00 0.00 6.81 7.67 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 14 L 7.93 4.59 0.00 1.91 1.71 0.92 0.31 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 15 L 7.71 4.36 0.00 1.86 1.82 1.00 0.37 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 16 G 8.08 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.30 4.46 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 1.22 0.00 0.00 18 R 7.43 3.99 0.00 1.87 1.98 0.00 3.24 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 *23 Y 7.58 4.69 0.00 2.97 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.69 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 25 T 8.06 4.34 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 1.15 0.00 0.00 26 T 7.80 4.28 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 1.23 0.00 0.00 27 S 8.50 5.41 0.00 4.02 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 28 L 8.48 3.88 0.00 1.88 1.68 0.84 0.74 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 29 S 7.50 4.66 0.00 3.97 4.06 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 0.00 0.00 0.00 30 D 8.20 4.25 0.00 2.98 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 31 I 7.77 3.62 1.86 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 1.62 0.98 0.18 0.00 0.00 32 E 8.09 3.87 0.00 2.08 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 2.28 2.24 0.00 33 Q 7.94 4.01 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 34 A 7.65 4.11 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 35 A 7.97 3.92 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 36 I 8.06 3.65 1.87 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 1.53 1.16 0.91 0.00 0.00 37 E 8.07 4.12 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 38 Q 8.24 3.96 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 39 A 7.74 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.75 3.82 0.00 1.73 1.90 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.65 7.81 41 L 7.83 4.07 0.00 1.87 1.74 0.93 0.82 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 42 K 8.02 4.16 0.00 2.00 1.84 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.62 7.81 43 N 8.03 4.33 0.00 2.81 2.87 0.00 0.00 6.71 8.57 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 44 N 7.53 5.00 0.00 2.83 2.97 0.00 0.00 7.09 7.74 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 45 D 8.12 4.47 0.00 2.82 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 46 S 7.10 4.83 0.00 4.06 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 47 E 8.10 4.71 0.00 2.03 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 2.11 2.14 0.00 48 V 8.65 4.92 2.10 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 0.91 0.00 0.00 0.98 0.00 0.00 49 L 8.91 4.63 0.00 1.67 1.59 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.22 5.06 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 0.68 0.00 0.00 0.94 0.00 0.00 51 F 9.16 4.92 0.00 3.07 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 52 Q 7.73 5.46 0.00 1.95 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.46 0.00 0.00 0.00 0.00 0.00 2.42 2.06 0.00 53 S 8.27 4.60 0.00 3.89 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 54 N 8.98 4.64 0.00 2.75 2.83 0.00 0.00 6.92 7.54 0.00 0.00 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 T 7.56 4.32 3.78 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 0.32 0.00 0.00 56 E 8.77 3.53 0.00 1.28 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.70 0.00 57 G 7.94 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 58 F 8.01 4.84 0.00 3.28 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 59 I 8.03 3.87 2.08 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.23 0.97 0.00 0.00 60 I 8.00 3.54 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.75 0.00 0.00 61 D 8.43 4.23 0.00 2.78 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 62 R 7.77 3.61 0.00 1.01 1.49 0.00 2.82 0.00 0.00 2.56 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 63 I 7.49 3.61 1.89 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 1.40 0.71 0.83 0.00 0.00 64 H 7.93 4.21 0.00 3.25 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.12 3.85 0.00 2.12 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 2.26 2.29 0.00 66 A 8.14 4.09 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 67 K 7.81 3.85 0.00 1.81 1.94 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.52 7.81 68 R 7.53 3.96 0.00 1.89 1.99 0.00 3.20 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 69 Q 7.91 4.31 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 70 G 8.10 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 71 V 7.87 3.80 2.24 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 0.89 0.00 0.00 0.95 0.00 0.00 72 G 8.92 4.17 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 0.00 73 F 7.80 4.83 0.00 3.08 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 74 V 8.25 4.97 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 0.93 0.00 0.00 0.91 0.00 0.00 75 V 9.03 4.89 2.24 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 1.17 0.00 0.00 1.11 0.00 0.00 76 I 8.87 5.06 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.65 0.98 0.00 0.00 77 N 9.33 5.31 0.00 2.92 2.90 0.00 0.00 6.96 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 78 A 8.71 4.35 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.66 3.75 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 0.00 0.00 0.00 80 A 8.46 4.04 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 81 Y 7.56 4.55 0.00 3.14 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 82 T 8.15 3.96 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 1.32 0.00 0.00 83 H 8.23 5.11 0.00 3.33 3.50 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.90 4.68 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 1.35 0.00 0.00 85 S 8.21 4.54 0.00 3.61 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 86 V 7.66 3.43 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 0.05 0.00 0.00 87 G 7.73 3.45 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 0.00 88 I 7.90 3.59 1.80 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.80 0.00 0.00 89 R 7.41 3.83 0.00 2.17 2.12 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 90 D 8.30 4.39 0.00 2.80 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 91 A 8.06 4.01 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 92 L 7.84 3.85 0.00 1.56 1.51 -0.28 0.14 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 93 L 7.90 4.25 0.00 1.65 1.76 0.96 0.98 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 94 G 8.33 3.72 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 0.00 0.00 0.00 95 T 7.99 4.26 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 1.24 0.00 0.00 96 A 7.57 3.88 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.04 4.14 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.83 0.00 0.00 98 P 0.00 4.57 0.00 1.30 2.01 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.95 0.00 99 F 7.24 5.35 0.00 3.09 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 0.00 100 I 8.49 4.86 2.02 0.00 0.00 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 1.19 1.14 0.89 0.00 0.00 101 E 8.92 5.03 0.00 2.24 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 2.19 2.27 0.00 102 V 8.86 4.65 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 0.21 0.00 0.00 0.82 0.00 0.00 103 H 8.80 4.84 0.00 3.05 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.80 3.91 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.05 0.94 0.00 0.00 105 T 7.74 4.78 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 1.25 0.00 0.00 106 N 8.26 4.60 0.00 2.77 2.91 0.00 0.00 6.86 7.71 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 0.00 107 V 8.25 3.48 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 0.49 0.00 0.00 0.63 0.00 0.00 108 H 7.90 3.82 0.00 3.09 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.03 4.24 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 110 R 7.50 4.69 0.00 1.74 1.70 0.00 3.30 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 111 E 8.37 3.79 0.00 1.19 1.66 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 2.46 2.36 0.00 112 P 0.00 3.62 0.00 2.09 1.97 0.00 3.52 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 2.05 1.96 0.00 113 F 8.09 4.25 0.00 3.23 3.33 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 0.00 114 R 7.37 3.73 0.00 1.51 1.69 0.00 2.96 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.65 0.00 115 H 7.86 4.21 0.00 3.15 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.41 4.30 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 117 S 8.06 4.81 0.00 3.83 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 0.00 118 Y 9.17 4.59 0.00 3.04 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 0.00 119 L 7.82 4.71 0.00 2.04 2.10 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.78 4.31 0.00 3.90 3.96 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 0.00 121 D 8.11 4.34 0.00 2.80 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 0.00 122 K 7.34 4.37 0.00 2.16 2.00 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.60 7.81 123 A 7.52 2.81 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.81 3.77 2.10 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 0.88 0.00 0.00 0.83 0.00 0.00 125 A 7.46 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.18 4.76 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 0.98 0.00 0.00 127 I 8.82 4.62 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.45 0.85 0.00 0.00 128 C 8.63 4.91 0.00 2.99 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 0.00 129 G 9.32 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.80 4.44 0.00 1.62 1.71 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.94 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 0.00 132 V 8.38 3.87 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.08 0.00 0.00 133 Y 8.36 4.37 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 0.00 134 G 7.87 3.72 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 0.00 0.00 0.00 135 Y 7.62 4.17 0.00 3.15 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 0.00 136 T 8.29 4.12 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 1.17 0.00 0.00 137 A 7.84 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.00 3.93 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 0.00 139 I 7.95 3.70 2.06 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 1.57 0.74 0.95 0.00 0.00 140 E 7.88 3.93 0.00 2.12 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 2.43 2.45 0.00 141 Y 8.02 3.99 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.85 2.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.85 4.22 0.00 1.57 1.70 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 144 N 7.41 4.79 0.00 2.78 2.55 0.00 0.00 6.78 7.41 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 0.00 145 Y 8.09 4.14 0.00 2.93 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 0.00 146 Q 7.32 3.23 0.00 1.51 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 147 L 8.23 4.26 0.00 1.79 1.56 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.