NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6996 8.1633 120.6080 55.3987 34.0701 173.9864 2 K 5.1032 8.8593 124.2188 54.1990 36.5616 173.6510 3 A 5.2236 8.9189 124.4620 50.2469 23.6424 174.8931 4 V 4.6994 8.5335 120.5947 59.9513 33.9152 174.7021 5 V 4.7409 8.9590 126.1056 61.1131 33.7818 174.0863 6 Q 5.0998 8.9541 127.2362 53.8634 31.6453 175.0070 7 R 4.5517 8.7986 125.2789 56.4681 31.4167 175.6460 8 V 5.1434 9.1347 119.1558 59.9899 35.3855 176.3934 9 T 4.3577 8.6571 113.1624 63.4047 69.9354 174.6498 10 R 4.9028 8.0130 116.2360 56.5156 32.6999 173.5053 11 A 5.2154 8.6226 120.1717 51.4209 23.1626 175.3727 12 S 4.9941 9.0241 113.6095 57.3468 67.2969 173.1263 13 V 4.9531 8.8870 120.2163 61.4771 34.5373 174.1892 14 T 5.1372 8.9214 124.0311 61.7323 71.8472 173.2448 15 V 4.2710 8.2301 124.9507 61.3978 34.6685 175.7583 16 G 3.7322 9.8936 115.8493 46.5344 0.0000 174.4608 17 G 3.8991 8.5681 108.6247 44.4806 0.0000 173.6296 18 E 4.3779 7.8723 121.4518 54.1016 30.8399 174.5701 19 Q 4.3563 8.6266 127.7495 56.1223 28.6908 175.2665 20 I 4.2175 8.4231 119.8313 61.4278 38.7581 175.6183 21 S 4.7277 7.5575 113.8154 57.7887 65.4382 173.1636 22 A 5.1513 8.3450 125.4995 51.0171 22.1306 175.1148 23 I 4.5732 8.9576 113.7064 58.3621 41.1290 175.6293 24 G 4.2203 9.3899 116.5875 45.0656 0.0000 174.9407 25 R 4.1664 8.4503 123.5520 54.9738 31.5156 176.2775 26 G 4.3865 7.0083 110.0389 46.2990 0.0000 172.1184 27 I 5.2032 8.6537 117.7991 59.1466 41.2447 173.8867 28 C 5.1163 9.2583 125.6610 58.0103 33.4562 172.1988 29 V 4.7366 9.1593 126.9786 61.2719 33.5440 174.1064 30 L 4.9848 8.8794 129.0551 53.3171 43.4270 175.2155 31 L 4.9065 8.8869 127.1119 52.9988 44.7716 175.0726 32 G 4.1515 9.1904 114.2879 45.2079 0.0000 172.1704 33 I 4.5278 7.9150 127.5759 60.7750 38.8469 175.7518 34 S 4.9941 9.4272 123.1325 56.6692 65.1755 175.2597 35 L 3.8663 8.5458 122.4330 58.1149 41.4065 178.7547 36 E 4.5080 7.8404 113.9162 55.9649 29.6580 175.8627 37 D 4.4857 7.5191 119.0983 54.7689 41.4733 176.2917 38 T 5.0205 8.4870 118.0050 60.9584 73.6471 174.9776 39 Q 4.0347 8.8405 122.2671 59.5437 28.7713 178.6230 40 K 3.9412 8.1327 119.9484 59.7505 32.2540 178.4965 41 E 4.1295 8.1841 119.6141 58.5482 29.4398 178.8350 42 L 4.1698 8.1022 120.5022 58.2758 42.2943 178.5947 43 E 3.9065 8.5093 119.4319 59.6140 29.6121 178.1028 44 H 4.0334 8.4076 118.2019 59.6323 29.8478 176.8949 45 M 4.1672 8.4578 120.0076 58.4569 32.1084 178.1865 46 V 3.4694 7.9111 118.4669 66.1374 31.6540 177.9452 47 R 3.8975 7.8183 117.4972 59.3702 29.8562 179.1356 48 K 4.2095 8.0189 119.1328 59.0849 31.8805 179.5113 49 I 3.7775 7.7424 118.6343 64.5052 36.8291 178.3896 50 L 4.0692 8.2692 119.7000 56.5039 41.2228 178.0531 51 N 4.9001 7.8317 115.0159 51.2369 38.1477 174.1791 52 L 4.0519 7.3852 124.5977 55.9911 42.7731 176.7218 53 R 4.4450 8.5173 127.3999 55.1077 28.5234 176.6031 54 V 4.5943 7.7984 117.6221 61.4016 33.2957 176.4059 55 F 4.9045 8.2519 120.7491 55.9041 41.9935 175.1329 56 E 5.3850 8.8915 119.7801 55.4129 31.5459 176.9650 57 D 5.0308 8.0642 120.3296 52.8296 41.3400 176.5440 58 E 4.3345 8.6027 117.1797 57.6431 29.6049 177.2920 59 S 4.4739 8.2342 114.1210 57.9413 63.4081 174.8080 60 G 4.1130 7.9454 108.1327 45.4182 0.0000 173.6408 61 K 4.0292 8.5441 122.5424 55.8839 32.4526 176.5395 62 H 4.1718 8.5149 123.5138 56.3703 29.2391 174.5718 63 W 4.5868 7.8848 118.1999 57.5923 26.3649 175.3769 64 S 4.8038 8.2959 111.2180 57.8222 64.8523 174.0600 65 K 4.7971 8.3198 120.4716 53.8437 35.7473 176.2196 66 S 5.6288 9.3520 120.0327 56.5924 65.6738 175.6767 67 V 3.4855 8.5368 121.4710 65.5700 30.7207 178.3072 68 M 3.7866 7.2782 115.7835 57.8210 31.5492 178.1577 69 D 4.3237 7.9283 118.3624 57.4325 41.1706 178.7165 70 K 3.7216 7.5404 115.7720 55.7485 32.7078 176.6204 71 Q 3.8421 7.3847 116.6439 56.3275 26.5139 172.4560 72 Y 4.9745 8.0528 115.0810 57.1305 40.5987 175.8674 73 E 4.9961 8.8849 119.3739 55.3862 32.5640 175.6514 74 I 5.0925 8.7103 121.5126 59.6146 41.2057 174.2328 75 L 5.1275 8.9815 129.3596 53.5631 44.3887 174.2998 76 C 5.3845 9.1452 127.5220 57.6648 34.0746 172.5724 77 V 4.9327 8.9357 126.2035 60.7533 34.4823 174.6927 78 S 4.1770 8.2921 122.4716 58.4541 63.6573 174.0238 79 Q 4.2356 8.5805 125.4173 55.3813 30.6706 174.7224 80 F 4.3587 8.9965 125.1015 58.8384 39.8629 176.9211 81 T 3.8483 7.7957 110.3598 62.3801 69.0107 175.9696 82 L 4.1056 7.5946 121.6712 56.5523 41.8714 177.1907 83 Q 4.1861 7.1024 117.0053 55.1975 29.2742 175.7588 84 C 4.1892 8.2974 117.7219 60.2748 28.7520 174.2463 85 V 4.0239 8.5772 126.5162 65.2550 33.2274 178.9595 *86 L 3.5906 8.0623 117.4719 55.0654 39.3159 179.4205 87 K 4.1079 9.0789 113.1948 57.9226 33.0816 176.1933 88 G 4.0640 8.6202 109.8309 45.6978 0.0000 172.8327 89 N 5.0388 7.8338 113.3702 51.1489 39.0533 173.5569 90 K 4.2027 7.2340 115.1490 55.7814 34.9057 172.9268 91 P 4.1023 0.0000 0.0000 63.8218 32.1881 175.5778 92 D 4.3660 8.6259 117.1442 55.4295 36.8685 175.0504 93 F 4.6974 7.7277 116.3606 57.6703 40.6466 178.3751 94 H 4.3289 8.3360 116.1180 58.0793 28.6038 176.2374 95 L 4.1430 7.6531 118.0129 55.1186 42.1453 175.9143 96 A 4.6617 7.6985 121.6389 51.4433 19.1974 177.2764 97 M 4.1533 8.5734 122.6531 54.8440 33.0468 174.4075 98 P 4.3012 0.0000 0.0000 63.4330 31.9120 177.4842 99 T 3.7537 8.6845 119.5381 66.7386 67.9809 176.0851 100 E 4.0276 8.0972 120.6890 59.3198 29.9882 178.2915 101 Q 4.2699 8.0596 116.7677 58.6517 29.1515 177.7932 102 A 4.2100 8.2341 123.3478 55.0572 18.4261 179.1138 103 E 3.5237 8.1836 117.7898 59.1332 29.5978 179.3154 104 G 3.6208 8.1056 105.3847 47.7916 0.0000 175.5657 105 F 4.0110 8.2863 120.3674 60.3092 38.9437 177.1121 106 Y 4.2530 8.7619 119.5581 61.0182 38.6023 177.9704 107 N 4.2236 8.3785 117.3453 56.3541 38.6155 177.5137 108 S 4.3088 8.1508 117.9395 60.9625 62.7930 176.6165 109 F 4.0677 8.4203 123.4445 61.2071 39.0728 177.2861 110 L 3.9229 7.9313 118.9752 57.6474 41.4938 179.2740 111 E 3.9014 8.3375 117.8317 59.4963 29.4593 179.2952 112 Q 3.9832 8.0908 118.9831 58.4325 28.7671 178.2959 113 L 3.7917 7.7514 121.5078 58.2180 41.8642 179.3430 114 R 3.8846 7.8757 116.7243 59.1680 30.1110 178.5973 115 K 4.0373 8.0310 118.5628 59.3968 32.2806 178.1965 116 T 4.2880 7.8455 107.8408 62.3341 69.9566 174.7028 117 Y 4.9807 8.5367 122.3778 57.9269 39.0371 177.2908 118 R 4.5362 7.4201 119.6138 53.1765 32.3808 173.8016 119 P 4.1763 0.0000 0.0000 65.7458 31.4349 178.3649 120 E 4.1360 7.9789 114.9315 58.0786 29.7474 177.0031 121 L 4.5623 7.8108 118.5800 54.3569 42.9788 175.6175 122 I 5.0251 7.5600 120.2111 59.4776 39.3903 175.2284 123 K 4.9470 9.3468 125.8338 54.6937 36.6041 174.6751 124 D 5.8298 8.0014 120.3717 50.1159 42.8702 176.2578 125 G 4.2513 8.7905 113.4754 46.2380 0.0000 176.2049 126 K 4.5935 8.6137 127.2462 54.2375 33.7283 176.1356 127 F 3.8936 9.5005 129.1278 61.3084 39.2757 177.0478 128 G 3.7318 8.4422 106.9866 48.1703 0.0000 173.7078 129 A 4.2447 8.1171 121.9685 51.2814 19.2940 176.6402 130 Y 4.5225 8.4611 121.2681 57.6592 38.3463 174.5564 131 M 4.8281 8.4116 126.7045 53.5559 35.0380 175.5653 132 Q 4.2674 8.6700 121.9436 54.8122 30.5884 174.9300 133 V 4.5527 8.3253 124.9620 61.5762 32.8035 174.5701 134 H 4.6222 9.3478 127.4374 55.1396 29.9232 174.7563 135 I 4.5714 8.3496 124.1871 59.7111 39.9464 175.7105 136 Q 4.3543 8.7509 130.3996 54.4297 28.6649 172.4023 137 N 4.8695 8.4047 122.4941 53.2580 39.8291 173.7951 138 D 4.2760 9.8902 128.4333 55.6145 40.3366 174.7479 139 G 3.9640 8.6849 119.5903 44.9520 0.0000 169.9921 140 P 4.5097 0.0000 0.0000 61.5938 32.7361 175.8585 141 V 4.5436 9.2376 118.9403 61.6557 34.5571 174.3504 142 T 5.2451 8.6014 123.5261 62.0531 72.3894 173.3298 143 I 4.6127 8.9545 126.6252 59.4994 41.1467 174.1070 144 E 5.0140 8.7802 125.5263 54.9668 30.9459 175.3721 145 L 4.9232 9.0251 124.0964 53.0320 45.6029 175.2624 146 E 4.8764 8.4655 121.7691 55.4364 32.0434 174.3586 147 S 4.4017 9.0739 122.0452 60.3056 63.2025 174.4851 148 P 3.9448 0.0000 0.0000 64.1612 31.3698 176.0616 149 A 4.0721 6.9724 124.7060 51.7198 20.3926 176.5024 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 8.16 4.70 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 2 K 8.86 5.10 0.00 1.63 1.58 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.41 7.81 3 A 8.92 5.22 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 4 V 8.53 4.70 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 0.82 0.00 0.00 0.93 0.00 0.00 5 V 8.96 4.74 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 1.10 0.00 0.00 0.97 0.00 0.00 6 Q 8.95 5.10 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 7 R 8.80 4.55 0.00 1.77 1.75 0.00 2.74 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.44 0.00 8 V 9.13 5.14 2.36 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 0.80 0.00 0.00 0.98 0.00 0.00 9 T 8.66 4.36 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 1.21 0.00 0.00 10 R 8.01 4.90 0.00 1.95 1.99 0.00 3.15 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 11 A 8.62 5.22 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.02 4.99 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.89 4.95 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 1.05 0.00 0.00 0.97 0.00 0.00 14 T 8.92 5.14 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 15 V 8.23 4.27 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 0.97 0.00 0.00 0.93 0.00 0.00 16 G 9.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.57 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 18 E 7.87 4.38 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 19 Q 8.63 4.36 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 20 I 8.42 4.22 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.92 0.00 0.00 21 S 7.56 4.73 0.00 3.94 3.71 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 0.00 0.00 0.00 22 A 8.34 5.15 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 23 I 8.96 4.57 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.95 0.00 0.00 24 G 9.39 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.45 4.17 0.00 0.90 0.91 0.00 3.19 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 26 G 7.01 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 27 I 8.65 5.20 1.99 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 1.34 1.08 1.09 0.00 0.00 28 C 9.26 5.12 0.00 3.03 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 29 V 9.16 4.74 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 1.06 0.00 0.00 30 L 8.88 4.98 0.00 1.60 1.53 0.92 0.49 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 31 L 8.89 4.91 0.00 1.50 1.36 0.64 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.19 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 33 I 7.92 4.53 1.92 0.00 0.00 nan 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 0.92 0.71 0.00 0.00 34 S 9.43 4.99 0.00 3.65 3.71 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 0.00 0.00 0.00 35 L 8.55 3.87 0.00 1.58 1.73 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.84 4.51 0.00 1.92 1.94 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 2.22 2.24 0.00 37 D 7.52 4.49 0.00 2.41 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.49 5.02 4.61 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 1.34 0.00 0.00 39 Q 8.84 4.03 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 40 K 8.13 3.94 0.00 1.95 1.85 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.66 7.81 41 E 8.18 4.13 0.00 2.33 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 2.41 2.29 0.00 42 L 8.10 4.17 0.00 2.11 2.03 1.10 0.92 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 43 E 8.51 3.91 0.00 2.30 1.96 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 2.30 2.47 0.00 44 H 8.41 4.03 0.00 3.52 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 M 8.46 4.17 0.00 2.48 2.24 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.72 0.00 46 V 7.91 3.47 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.42 0.00 0.00 47 R 7.82 3.90 0.00 2.15 1.94 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 48 K 8.02 4.21 0.00 2.06 1.90 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.61 7.81 49 I 7.74 3.78 2.16 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.62 1.02 0.00 0.00 50 L 8.27 4.07 0.00 1.62 1.54 0.86 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 N 7.83 4.90 0.00 2.88 3.01 0.00 0.00 6.43 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 52 L 7.39 4.05 0.00 1.99 1.67 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.52 4.44 0.00 2.01 2.12 0.00 3.21 0.00 0.00 3.60 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 54 V 7.80 4.59 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 -0.06 0.00 0.00 1.01 0.00 0.00 55 F 8.25 4.90 0.00 3.23 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 56 E 8.89 5.39 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 1.97 0.00 57 D 8.06 5.03 0.00 2.93 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 58 E 8.60 4.33 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 59 S 8.23 4.47 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.95 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 61 K 8.54 4.03 0.00 1.78 1.92 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 62 H 8.51 4.17 0.00 2.88 1.85 0.00 5.93 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 W 7.88 4.59 0.00 3.49 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 64 S 8.30 4.80 0.00 3.97 3.98 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 65 K 8.32 4.80 0.00 1.84 1.69 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.56 7.81 66 S 9.35 5.63 0.00 4.21 4.13 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 67 V 8.54 3.49 2.35 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 0.84 0.00 0.00 1.11 0.00 0.00 68 M 7.28 3.79 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.88 0.00 69 D 7.93 4.32 0.00 2.85 2.69 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 70 K 7.54 3.72 0.00 0.79 0.74 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.29 0.79 7.81 71 Q 7.38 3.84 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 72 Y 8.05 4.97 0.00 2.50 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 73 E 8.88 5.00 0.00 1.95 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 2.27 2.31 0.00 74 I 8.71 5.09 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.10 1.06 0.00 0.00 75 L 8.98 5.13 0.00 1.81 1.58 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 C 9.15 5.38 0.00 3.22 2.95 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 77 V 8.94 4.93 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 1.01 0.00 0.00 0.99 0.00 0.00 78 S 8.29 4.18 0.00 3.29 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 79 Q 8.58 4.24 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 80 F 9.00 4.36 0.00 3.27 3.30 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 0.00 81 T 7.80 3.85 4.13 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 1.31 0.00 0.00 82 L 7.59 4.11 0.00 1.57 1.70 0.87 0.89 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 83 Q 7.10 4.19 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 84 C 8.30 4.19 0.00 2.93 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 85 V 8.58 4.02 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 1.13 0.00 0.00 0.87 0.00 0.00 *86 L 8.06 3.59 0.00 1.86 0.95 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.08 4.11 0.00 1.70 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.37 7.81 88 G 8.62 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 0.00 0.00 0.00 89 N 7.83 5.04 0.00 2.67 2.75 0.00 0.00 6.77 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 90 K 7.23 4.20 0.00 1.83 1.76 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 1.32 7.81 91 P 0.00 4.10 0.00 1.42 1.29 0.00 3.78 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 1.90 1.88 0.00 92 D 8.63 4.37 0.00 2.80 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 93 F 7.73 4.70 0.00 3.08 3.06 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 94 H 8.34 4.33 0.00 3.27 3.47 0.00 5.71 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 95 L 7.65 4.14 0.00 1.61 1.65 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.70 4.66 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 97 M 8.57 4.15 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 98 P 0.00 4.30 0.00 2.30 1.96 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 99 T 8.68 3.75 4.03 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 1.25 0.00 0.00 100 E 8.10 4.03 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 101 Q 8.06 4.27 0.00 2.48 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 102 A 8.23 4.21 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.18 3.52 0.00 1.65 1.77 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 1.98 1.47 0.00 104 G 8.11 3.62 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 0.00 0.00 0.00 105 F 8.29 4.01 0.00 3.37 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.76 4.25 0.00 3.22 3.19 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 0.00 107 N 8.38 4.22 0.00 2.77 2.82 0.00 0.00 7.09 7.06 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 0.00 108 S 8.15 4.31 0.00 4.08 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 0.00 109 F 8.42 4.07 0.00 3.29 3.20 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 0.00 0.00 0.00 0.00 110 L 7.93 3.92 0.00 1.77 1.62 0.65 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.34 3.90 0.00 2.14 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 0.00 2.44 2.35 0.00 112 Q 8.09 3.98 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 113 L 7.75 3.79 0.00 1.53 1.69 1.02 1.07 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 0.00 114 R 7.88 3.88 0.00 1.89 1.94 0.00 3.20 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 115 K 8.03 4.04 0.00 1.71 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 116 T 7.85 4.29 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 1.23 0.00 0.00 117 Y 8.54 4.98 0.00 2.91 2.35 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 0.00 118 R 7.42 4.54 0.00 0.94 1.76 0.00 3.12 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 119 P 0.00 4.18 0.00 2.12 2.07 0.00 3.50 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 120 E 7.98 4.14 0.00 1.87 1.96 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 2.26 2.33 0.00 121 L 7.81 4.56 0.00 1.29 1.58 0.77 0.52 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 0.00 122 I 7.56 5.03 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.96 0.00 0.00 123 K 9.35 4.95 0.00 1.64 1.68 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.51 7.81 124 D 8.00 5.83 0.00 3.00 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 0.00 125 G 8.79 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 0.00 0.00 0.00 0.00 126 K 8.61 4.59 0.00 1.80 1.71 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.49 7.81 127 F 9.50 3.89 0.00 3.18 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 0.00 128 G 8.44 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.12 4.24 1.30 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 0.00 0.00 0.00 130 Y 8.46 4.52 0.00 2.78 2.91 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 0.00 131 M 8.41 4.83 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 132 Q 8.67 4.27 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.06 2.33 0.00 133 V 8.33 4.55 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 0.83 0.00 0.00 0.94 0.00 0.00 134 H 9.35 4.62 0.00 3.08 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.35 4.57 1.88 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 1.25 0.77 0.98 0.00 0.00 136 Q 8.75 4.35 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 137 N 8.40 4.87 0.00 2.79 2.74 0.00 0.00 7.16 8.47 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 0.00 138 D 9.89 4.28 0.00 2.77 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 0.00 139 G 8.68 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 0.00 0.00 0.00 140 P 0.00 4.51 0.00 2.21 2.08 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 141 V 9.24 4.54 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 1.13 0.00 0.00 1.05 0.00 0.00 142 T 8.60 5.25 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 143 I 8.95 4.61 1.86 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 1.22 0.91 0.88 0.00 0.00 144 E 8.78 5.01 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 145 L 9.03 4.92 0.00 1.53 1.54 0.97 0.58 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 0.00 146 E 8.47 4.88 0.00 1.90 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 0.00 2.16 2.38 0.00 147 S 9.07 4.40 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 3.94 0.00 2.06 2.10 0.00 3.74 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 2.01 2.09 0.00 149 A 6.97 4.07 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 * Residues marked with a * may have inaccurate shift predictions.