NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6804 8.4201 119.2043 53.3889 41.6809 175.5474 0 A 4.0259 8.1352 127.4486 52.3764 18.1814 176.9493 2 K 4.0059 9.0722 114.9630 57.3137 32.3201 173.4822 3 K 4.0969 8.2956 129.4022 57.4765 32.9555 177.2588 4 G 3.8670 8.8690 107.1468 44.4834 0.0000 172.6808 5 T 4.4263 8.1556 106.0832 61.1012 70.1522 174.5679 6 V 3.9794 7.5651 122.2891 61.9385 30.1161 174.6210 7 L 4.2871 8.0360 125.7663 55.8289 42.7353 177.9063 8 N 4.4617 7.9753 117.9312 53.2611 40.3912 175.5617 9 S 4.1363 8.6229 123.0252 61.7112 63.2529 176.5753 10 E 3.9898 8.2082 121.8323 58.9637 29.3187 179.1233 11 I 3.6865 7.8452 119.3969 64.5037 37.3067 178.5699 12 S 4.1151 8.1469 115.9361 61.5820 62.4269 176.7758 13 S 4.0457 7.8775 114.4899 61.5528 62.5405 176.1470 14 V 3.7357 8.0476 121.1671 66.0070 31.1053 178.0523 15 I 3.7800 7.9964 120.0017 64.1278 36.7233 178.1330 16 S 4.3175 7.9213 113.1374 60.0418 63.1525 175.4777 17 R 4.4105 7.4373 120.0815 55.1339 30.9738 176.3807 18 L 4.2192 7.2881 120.2008 54.5932 42.3748 176.4439 19 G 4.1652 8.9671 111.1967 43.0524 0.0000 171.6797 20 H 4.4456 8.6013 118.7602 58.0847 29.8068 175.3682 21 T 3.4786 8.9350 116.4559 61.5315 68.7078 171.9334 22 D 4.6788 7.8048 122.7987 54.9164 42.2981 175.4657 23 T 5.1571 8.4023 110.4586 59.9388 72.7607 172.4159 24 L 5.0829 8.7845 123.8993 53.5240 45.7838 174.9167 25 V 4.8198 8.7438 126.1582 61.2490 34.0461 174.2442 26 V 4.9508 8.6719 127.7233 61.3614 33.6925 174.1692 27 C 5.7210 9.1135 121.9958 56.4636 33.4875 172.8533 28 D 5.2948 9.1500 119.4739 52.0577 41.0493 177.1933 29 A 4.1056 8.9886 121.2966 54.1638 18.2787 178.4841 30 G 3.9662 8.2311 103.0925 44.9094 0.0000 173.7221 31 L 4.1524 7.5464 122.5224 53.8904 42.6433 174.8417 32 P 4.4509 0.0000 0.0000 62.5997 32.1088 175.6207 33 I 4.4403 7.9899 121.0644 58.7547 38.7946 174.0543 34 P 4.4368 0.0000 0.0000 62.5159 31.7318 176.9613 35 N 4.6209 8.5745 117.5782 54.0367 37.7271 175.7938 36 S 4.4458 7.8927 112.7821 59.2846 63.5994 173.4346 37 T 4.7816 7.3513 114.4352 60.1866 70.5686 173.2153 38 A 4.2454 8.2637 127.4863 51.8818 19.9573 176.4466 39 R 4.6507 8.5455 121.5490 54.8153 31.9662 175.5458 40 I 4.3504 8.7979 128.9738 59.8401 38.7014 174.5311 41 D 4.9345 8.5158 126.3306 52.7380 43.1050 175.3611 *43 A 4.0340 8.2860 123.6874 52.3086 19.1103 175.8638 44 L 4.2119 8.8683 125.0343 56.7257 43.0702 175.9080 45 T 4.3840 7.3021 109.8427 60.8313 70.0689 171.5964 46 Q 4.0329 8.6204 121.6823 57.8179 28.6224 177.8554 47 G 3.8916 9.2158 111.5665 45.3495 0.0000 172.9625 48 V 4.4496 7.9398 120.1843 60.2284 34.2829 173.3084 49 P 5.0268 0.0000 0.0000 62.2202 33.3553 175.9076 50 S 4.6376 9.2052 116.0891 57.3331 64.7748 175.2422 51 F 4.2052 9.0653 119.4590 59.6281 39.1632 176.8611 *53 Q 4.1901 8.1847 119.5668 55.6123 30.5947 177.8439 54 V 3.5200 7.5652 116.4556 65.7906 31.5183 178.1677 55 V 3.3567 7.4867 118.0974 65.8732 31.0652 177.3537 56 D 4.2155 7.7467 115.7797 57.4150 41.4326 177.8983 57 V 3.6925 7.6928 118.5607 65.9936 31.6261 177.9942 58 V 3.5958 7.9763 118.4358 66.2082 31.1868 177.6095 59 T 4.2053 7.7688 106.6613 63.3822 68.9534 176.4193 60 R 4.0903 7.6773 120.6021 58.1370 30.4601 176.6202 61 E 4.4973 7.7580 117.9640 55.8632 30.2244 176.2335 *63 Q 4.2822 7.8974 117.1218 55.9403 30.6517 175.0312 64 V 4.9576 8.9565 124.9933 61.1920 32.5671 175.0612 65 E 4.7181 9.3140 124.8117 56.6356 31.8472 175.1875 66 A 4.7841 7.6079 120.0495 51.0935 22.9954 174.8044 67 A 5.1149 9.2429 120.9091 50.3149 22.9098 175.3038 68 I 4.9959 8.9482 122.6256 59.5262 40.5645 174.8790 69 L 5.3745 8.6581 124.4793 52.7355 46.5984 175.8093 70 A 4.7690 8.2718 123.7323 52.0373 19.5659 179.0751 71 T 3.8781 8.9597 119.7893 66.8114 68.4539 176.9198 72 E 3.7063 7.8252 119.7071 58.8916 29.2380 178.9371 73 I 3.7072 7.4794 118.9244 63.5449 37.6965 177.9787 74 K 3.7432 7.4116 118.5375 59.6061 31.9954 178.8118 75 Q 4.1540 7.8085 115.8629 57.9650 29.1097 177.3493 76 Q 4.4756 7.8120 116.4392 55.8439 30.6938 175.6173 77 N 5.0364 8.2077 119.5450 50.7106 39.6942 173.5531 78 P 4.2938 0.0000 0.0000 66.0273 31.8548 177.9623 79 Q 3.9519 8.0221 118.9382 58.9711 28.9900 177.8678 80 L 3.9920 7.9882 120.9296 58.1489 42.2645 177.7957 81 H 4.1958 8.4291 118.5159 59.6961 29.6331 176.9896 82 E 3.9350 8.3246 119.9186 59.6972 29.3363 179.2743 83 T 3.8954 7.9075 115.8267 66.7271 68.4413 176.3523 84 L 4.1135 8.3792 122.3568 58.0806 42.0973 178.9821 85 L 4.0173 8.0554 118.9525 58.1120 41.5737 179.4730 86 T 3.8637 8.2103 115.9737 67.0318 68.3437 176.0246 87 H 4.1705 8.3409 119.9032 59.4001 29.9306 177.3553 88 L 3.9230 8.3785 121.0670 57.4630 41.2209 179.1230 89 E 3.9437 8.3337 119.7783 59.4249 29.5341 178.9324 90 Q 4.0316 8.1325 118.1653 58.5442 28.7370 178.2411 91 L 3.9389 8.1166 121.9987 58.1885 42.1067 179.0983 92 Q 4.2760 8.0509 118.9333 58.7751 28.2521 178.4938 93 Q 3.9320 7.6237 119.1150 59.2717 28.8818 178.3442 94 H 4.3328 8.1817 115.8250 58.7414 28.7873 177.5922 95 Q 4.2186 8.4661 119.6144 56.4864 28.5944 176.7232 96 G 3.8833 8.3316 107.6827 46.1521 0.0000 172.6579 97 N 4.8978 7.7463 117.0132 51.2340 40.1517 171.9352 98 T 4.7805 8.2624 112.0746 60.5900 69.2815 173.7985 99 I 4.2531 8.9922 131.5193 60.5825 37.8707 175.8878 100 K 4.2105 8.7068 129.7586 56.1977 33.2678 175.4708 101 I 5.0617 8.3732 128.0553 59.5942 39.4902 174.9338 102 S 4.7418 8.6657 120.0370 56.9102 67.0556 172.2492 103 Y 5.4227 8.5592 117.3422 56.5616 41.1230 174.8776 104 T 4.9785 8.9075 112.5678 59.6460 73.2685 173.3605 105 T 4.2582 8.4437 111.1950 61.7320 69.5114 174.7898 106 H 4.1849 8.6779 122.4594 59.5243 29.6518 177.6100 107 E 3.9772 8.2386 120.0708 59.5199 29.3290 178.9785 108 Q 4.0047 8.1552 119.6344 58.8048 29.0935 177.7216 109 F 4.0371 8.5613 122.0673 61.3746 39.2237 177.1487 110 K 4.0446 8.1996 116.6695 59.5791 32.2794 179.0990 111 K 4.1175 7.8923 118.6207 59.5364 31.9940 179.4343 112 L 3.9877 8.0820 119.4714 57.8096 41.4526 179.6001 113 T 3.7493 7.7404 109.5919 64.5558 68.2805 176.2304 114 A 4.0804 7.7339 122.2153 54.2618 18.4262 178.1506 115 D 4.6756 7.7265 115.5169 53.4721 41.5728 176.7968 116 S 4.8862 7.0174 114.2501 57.0285 64.5555 174.3353 117 Q 4.2685 8.9453 119.9431 58.9060 29.5724 176.2461 118 A 4.8774 7.6300 118.2475 50.9210 23.4551 175.4868 119 V 4.6476 8.7779 120.4983 61.2390 34.2233 174.5368 120 I 4.7336 9.1593 129.9587 59.9097 38.7113 174.6996 121 R 4.7530 8.9508 129.7224 55.2959 30.7688 176.3147 122 S 4.6411 8.8571 122.1562 56.9773 65.5099 174.0835 123 G 4.0044 8.9510 105.2947 46.3220 0.0000 173.3964 124 E 4.4710 8.3231 123.1792 56.7488 30.2038 177.2089 125 C 4.5275 8.7401 122.7826 59.6414 29.8027 174.1910 126 S 4.3712 7.4914 113.2379 56.9888 63.4135 172.0387 127 P 4.1168 0.0000 0.0000 63.4866 31.6530 175.8678 128 Y 3.3679 7.5782 117.6009 59.1414 35.7846 171.4262 129 A 3.9386 7.1529 119.4719 50.5784 16.2404 177.4380 130 N 5.6000 7.4960 116.9329 50.8513 43.3934 175.3851 131 V 5.0952 9.6211 121.9433 60.3586 35.6550 174.0531 132 I 4.6466 8.9218 124.3633 60.0132 38.9060 174.4571 133 L 5.0423 9.0578 128.0190 53.3953 43.9400 175.2321 134 C 5.1360 8.8810 121.3131 57.8444 30.6937 173.0458 135 A 4.6868 9.0800 126.6809 51.8825 19.1504 176.6160 136 G 4.4487 8.1109 107.0524 46.5835 0.0000 173.1424 137 V 4.7439 8.4133 113.5823 59.3205 35.7112 175.6901 138 T 4.2628 8.3414 118.2234 63.4701 69.2426 175.1942 139 F 4.5077 7.8953 118.6779 57.3773 37.6481 174.0606 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 N 8.42 4.68 0.00 2.70 2.91 0.00 0.00 6.99 7.08 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 A 8.14 4.03 1.23 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 0.00 0.00 2 K 9.07 4.01 0.00 1.80 2.11 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 K 8.30 4.10 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.87 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 0.00 0.00 0.00 5 T 8.16 4.43 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 1.20 0.00 0.00 6 V 7.57 3.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.98 0.00 0.00 7 L 8.04 4.29 0.00 1.67 1.70 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.98 4.46 0.00 2.75 2.68 0.00 0.00 6.99 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.62 4.14 0.00 4.08 4.10 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 10 E 8.21 3.99 0.00 2.14 2.03 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 2.40 2.34 0.00 11 I 7.85 3.69 1.86 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 1.51 0.68 0.90 0.00 0.00 12 S 8.15 4.12 0.00 4.07 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 13 S 7.88 4.05 0.00 3.90 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 14 V 8.05 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 0.97 0.00 0.00 0.96 0.00 0.00 15 I 8.00 3.78 1.93 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 1.57 1.05 0.91 0.00 0.00 16 S 7.92 4.32 0.00 4.06 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 17 R 7.44 4.41 0.00 1.95 1.99 0.00 3.35 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 18 L 7.29 4.22 0.00 1.66 1.60 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.97 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 20 H 8.60 4.45 0.00 3.13 3.29 0.00 5.80 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 21 T 8.94 3.48 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 0.88 0.00 0.00 22 D 7.80 4.68 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.40 5.16 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 1.21 0.00 0.00 24 L 8.78 5.08 0.00 1.71 1.48 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.74 4.82 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 1.01 0.00 0.00 0.86 0.00 0.00 26 V 8.67 4.95 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 0.85 0.00 0.00 0.87 0.00 0.00 27 C 9.11 5.72 0.00 3.32 3.15 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 28 D 9.15 5.29 0.00 3.04 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 29 A 8.99 4.11 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 30 G 8.23 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 31 L 7.55 4.15 0.00 1.80 1.66 1.09 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.45 0.00 2.24 2.06 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 33 I 7.99 4.44 1.89 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 1.45 0.86 0.93 0.00 0.00 34 P 0.00 4.44 0.00 2.17 1.97 0.00 3.60 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 35 N 8.57 4.62 0.00 2.83 2.93 0.00 0.00 6.12 7.64 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 36 S 7.89 4.45 0.00 4.00 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 37 T 7.35 4.78 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 1.32 0.00 0.00 38 A 8.26 4.25 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 39 R 8.55 4.65 0.00 1.82 1.84 0.00 3.21 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 40 I 8.80 4.35 1.88 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 1.12 0.57 0.91 0.00 0.00 41 D 8.52 4.93 0.00 2.69 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 *43 A 8.29 4.03 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 44 L 8.87 4.21 0.00 1.59 1.83 0.92 1.18 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 45 T 7.30 4.38 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 46 Q 8.62 4.03 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 47 G 9.22 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 0.00 0.00 0.00 48 V 7.94 4.45 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 1.07 0.00 0.00 0.94 0.00 0.00 49 P 0.00 5.03 0.00 2.16 2.15 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 50 S 9.21 4.64 0.00 4.10 4.07 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 51 F 9.07 4.21 0.00 3.12 3.15 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 *53 Q 8.18 4.19 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 54 V 7.57 3.52 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 1.02 0.00 0.00 0.97 0.00 0.00 55 V 7.49 3.36 1.70 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 0.87 0.00 0.00 -0.03 0.00 0.00 56 D 7.75 4.22 0.00 2.51 2.76 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 57 V 7.69 3.69 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 0.92 0.00 0.00 0.93 0.00 0.00 58 V 7.98 3.60 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 0.98 0.00 0.00 0.93 0.00 0.00 59 T 7.77 4.21 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 1.24 0.00 0.00 60 R 7.68 4.09 0.00 1.96 2.03 0.00 3.12 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 61 E 7.76 4.50 0.00 1.96 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 0.00 2.25 2.24 0.00 *63 Q 7.90 4.28 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 64 V 8.96 4.96 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 0.84 0.00 0.00 0.94 0.00 0.00 65 E 9.31 4.72 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 66 A 7.61 4.78 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 9.24 5.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.95 5.00 1.84 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 0.68 0.95 0.00 0.00 69 L 8.66 5.37 0.00 1.33 1.59 1.04 0.72 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 70 A 8.27 4.77 1.02 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 0.00 0.00 0.00 0.00 0.00 71 T 8.96 3.88 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 1.08 0.00 0.00 72 E 7.83 3.71 0.00 1.16 1.12 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 1.86 2.09 0.00 73 I 7.48 3.71 1.82 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 1.50 1.33 0.96 0.00 0.00 74 K 7.41 3.74 0.00 1.68 1.70 0.00 1.42 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.18 7.81 75 Q 7.81 4.15 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 76 Q 7.81 4.48 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.32 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 77 N 8.21 5.04 0.00 2.81 2.63 0.00 0.00 6.81 6.99 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 78 P 0.00 4.29 0.00 2.31 2.44 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 79 Q 8.02 3.95 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 80 L 7.99 3.99 0.00 1.84 1.68 0.99 0.50 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 81 H 8.43 4.20 0.00 3.35 3.53 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.32 3.93 0.00 2.22 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 2.32 2.50 0.00 83 T 7.91 3.90 4.45 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 1.26 0.00 0.00 84 L 8.38 4.11 0.00 2.04 1.98 1.10 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.06 4.02 0.00 1.87 1.71 0.81 0.57 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 86 T 8.21 3.86 4.42 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 1.24 0.00 0.00 87 H 8.34 4.17 0.00 3.30 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.38 3.92 0.00 1.86 1.71 0.97 0.79 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 89 E 8.33 3.94 0.00 2.32 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 2.36 0.00 90 Q 8.13 4.03 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 91 L 8.12 3.94 0.00 1.70 1.76 0.96 0.93 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 92 Q 8.05 4.28 0.00 2.60 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.33 0.00 93 Q 7.62 3.93 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 94 H 8.18 4.33 0.00 3.13 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.47 4.22 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.39 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 96 G 8.33 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 0.00 0.00 0.00 97 N 7.75 4.90 0.00 2.81 2.92 0.00 0.00 5.51 7.22 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 98 T 8.26 4.78 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 1.20 0.00 0.00 99 I 8.99 4.25 1.87 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 1.25 0.65 0.91 0.00 0.00 100 K 8.71 4.21 0.00 1.88 1.67 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 101 I 8.37 5.06 1.88 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 1.40 0.63 0.71 0.00 0.00 102 S 8.67 4.74 0.00 3.84 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 0.00 103 Y 8.56 5.42 0.00 2.88 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 0.00 104 T 8.91 4.98 4.31 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 1.26 0.00 0.00 105 T 8.44 4.26 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 1.23 0.00 0.00 106 H 8.68 4.18 0.00 3.31 3.40 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 0.00 107 E 8.24 3.98 0.00 2.05 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 2.46 2.35 0.00 108 Q 8.16 4.00 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 109 F 8.56 4.04 0.00 3.32 3.11 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 0.00 110 K 8.20 4.04 0.00 1.93 1.90 0.00 1.81 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.55 7.81 111 K 7.89 4.12 0.00 1.92 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 8.08 3.99 0.00 1.61 1.56 0.86 0.47 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 0.00 113 T 7.74 3.75 4.20 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 1.08 0.00 0.00 114 A 7.73 4.08 1.36 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 0.00 0.00 0.00 115 D 7.73 4.68 0.00 2.75 2.68 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 0.00 116 S 7.02 4.89 0.00 4.12 3.81 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 0.00 0.00 0.00 117 Q 8.95 4.27 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 118 A 7.63 4.88 1.22 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 0.00 119 V 8.78 4.65 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 1.11 0.00 0.00 0.95 0.00 0.00 120 I 9.16 4.73 1.88 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 1.11 0.53 0.91 0.00 0.00 121 R 8.95 4.75 0.00 1.81 1.86 0.00 3.27 0.00 0.00 3.52 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 122 S 8.86 4.64 0.00 4.12 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 0.00 123 G 8.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 4.47 0.00 2.35 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 2.38 0.00 125 C 8.74 4.53 0.00 2.96 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 0.00 126 S 7.49 4.37 0.00 3.97 3.85 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 0.00 127 P 0.00 4.12 0.00 2.11 1.83 0.00 3.79 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 2.15 2.03 0.00 128 Y 7.58 3.37 0.00 3.02 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 0.00 129 A 7.15 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.50 5.60 0.00 2.15 2.96 0.00 0.00 6.98 7.68 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 0.00 131 V 9.62 5.10 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 1.04 0.00 0.00 1.13 0.00 0.00 132 I 8.92 4.65 1.74 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.07 0.81 0.00 0.00 133 L 9.06 5.04 0.00 1.63 1.57 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 134 C 8.88 5.14 0.00 2.84 2.81 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 0.00 0.00 0.00 135 A 9.08 4.69 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 0.00 136 G 8.11 4.45 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 0.00 137 V 8.41 4.74 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 0.81 0.00 0.00 1.05 0.00 0.00 138 T 8.34 4.26 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 1.19 0.00 0.00 139 F 7.90 4.51 0.00 3.07 2.86 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 * Residues marked with a * may have inaccurate shift predictions.