NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7426 8.3393 109.7304 45.5956 0.0000 173.4630 *2 T 4.0790 7.7170 116.7638 60.9234 71.2903 174.3343 3 A 3.8691 8.2922 122.8280 55.6800 18.2435 180.1247 4 T 3.7488 8.1456 114.0421 66.8906 68.4747 176.7201 5 E 3.9485 8.1828 120.4310 59.1452 29.3806 179.1907 6 L 3.8139 8.1065 120.7063 58.2080 42.2060 179.3151 7 V 3.0838 7.7689 118.3585 65.7686 31.2903 177.6037 8 N 4.4225 8.5426 116.5336 56.4220 38.3443 177.2189 9 A 4.0062 8.2842 122.3037 55.0416 18.3846 178.9026 10 Y 3.8978 8.0669 118.2248 61.3453 38.7449 178.2781 11 Y 4.2270 8.1242 117.1665 60.6593 37.9569 177.9473 12 A 4.0551 8.5676 122.1763 55.2248 18.4326 179.5765 13 A 3.9913 8.3120 119.3521 55.0788 18.5213 179.5272 14 F 3.7025 8.4832 119.2468 61.6664 39.2877 177.1793 15 N 4.4654 8.6273 114.7183 56.0562 38.4695 176.5372 16 A 4.3195 8.0918 119.5077 51.5067 18.9744 177.3422 17 G 3.6767 7.4917 104.9874 46.3523 0.0000 173.5048 18 D 4.6792 7.9231 118.2490 52.0045 43.2393 175.0947 *20 P 4.3322 0.0000 0.0000 62.5952 33.3400 179.0400 21 A 4.0013 8.1771 118.5812 54.9306 18.3912 179.2143 22 F 4.0817 8.3514 119.1211 61.6073 39.5628 177.5331 23 L 3.9130 8.0700 117.6621 57.3503 41.2667 179.0792 24 A 4.0436 7.7288 120.0323 54.6499 18.4909 178.3545 25 L 4.0680 7.6509 116.0499 55.8818 42.2111 176.5988 26 L 4.8512 7.2333 119.1963 52.7202 43.2191 176.7244 27 S 4.3364 8.6127 117.1060 57.7468 63.9173 174.9581 28 E 3.9382 8.8437 122.4832 59.0148 29.4433 177.7570 29 D 5.1525 7.8253 116.8889 53.4743 41.4942 176.4227 30 V 3.9502 7.4254 118.7269 62.8223 31.8681 175.3317 31 I 4.3276 8.8431 125.0153 60.3965 39.1225 174.1232 32 H 5.1000 9.2242 127.3009 54.5928 32.2979 172.5393 33 D 4.8844 8.9116 128.3077 52.7598 41.5141 176.1601 34 I 3.8828 7.9533 125.7278 60.5046 38.4874 175.6965 35 N 4.3873 8.7187 125.2608 54.9903 39.0318 174.7090 36 Q 3.6745 8.9860 122.7206 56.5323 27.0112 173.7155 37 G 4.1004 7.8188 108.0473 44.5433 0.0000 172.5689 38 E 4.3053 8.4657 118.5053 55.7298 31.7849 176.1543 39 R 4.4376 8.3982 121.9775 56.5406 30.9306 175.4605 40 Q 4.6386 8.9005 126.9306 53.9663 32.6603 174.8313 *42 G 3.9858 8.3645 106.8382 45.5468 0.0000 173.9306 43 K 4.0397 8.9474 121.9880 59.2061 32.1564 179.2662 44 A 4.0826 8.0809 120.6581 55.4226 18.2735 179.7085 45 R 4.0037 8.0576 116.0482 59.3041 29.9766 178.9194 46 F 4.1903 8.1416 119.4704 61.1975 39.4542 176.7366 47 A 4.3314 8.5829 119.8793 55.2220 18.5165 179.1419 48 A 4.2198 8.3595 119.3438 55.0970 18.1744 180.0051 49 F 3.8747 8.3072 114.9087 59.3860 39.6592 175.6713 *51 E 4.3953 8.0905 118.1560 56.0383 30.8547 178.7615 52 K 4.1114 7.8252 117.7599 56.8475 31.4110 178.0698 *54 N 4.7285 8.1453 116.2263 52.6382 40.4028 176.0039 55 R 4.0336 7.8235 117.4909 58.5238 30.4620 176.5704 56 C 4.7008 7.8429 112.5444 59.7103 31.0057 173.6544 57 Y 5.4958 7.9018 113.9507 56.2781 42.0967 174.5244 58 R 4.6980 9.1250 121.4014 54.7296 33.1861 174.0125 59 E 5.2751 8.8347 124.4473 54.5613 33.6616 174.9505 60 R 4.8868 9.2263 122.8443 54.6387 33.4050 173.8115 61 L 5.2270 9.5015 126.4939 53.2368 43.2233 175.7826 62 A 4.7382 8.9932 125.0570 50.0848 22.8828 175.1773 63 D 4.5551 8.6404 115.1326 55.4485 38.3161 174.5667 64 I 4.2375 7.9024 119.4666 61.2237 38.1741 176.0676 65 V 4.3620 8.9869 127.7020 61.1737 33.5990 174.6492 66 V 5.1903 8.6278 127.0805 60.2109 34.3576 174.3581 *68 Q 4.2880 8.4078 121.3585 55.6883 29.5126 174.4512 69 N 4.6984 8.5598 116.4646 51.7699 38.5819 176.1955 70 A 3.9915 8.5615 121.5436 55.1693 18.4084 178.3992 71 D 4.4751 8.1044 112.3248 53.4404 40.1116 177.1526 72 G 3.9040 8.0661 108.1936 46.2571 0.0000 174.7300 73 S 4.6585 8.4551 115.8518 59.0400 64.5147 174.1160 74 R 5.4104 8.2359 118.6262 54.6422 34.3438 173.9884 75 A 5.1683 9.0209 122.2018 51.1425 23.1344 174.7364 76 A 5.1926 8.4996 118.6858 50.7411 23.0440 175.2216 77 A 5.0593 9.1565 121.1191 50.2974 23.0781 174.8871 78 E 4.8203 8.8612 121.9605 54.5147 33.3409 174.5809 79 F 5.2589 7.7409 118.9024 56.8786 42.1719 172.3259 80 T 4.9115 8.8953 116.2104 61.7756 70.8476 174.1297 81 V 4.3012 9.0349 127.9354 62.6822 33.1356 174.2707 82 H 5.1661 9.5160 126.2649 54.1916 30.7387 173.8902 83 G 3.8794 8.5745 110.2718 44.0885 0.0000 170.4164 84 Q 5.0725 8.9478 120.6349 54.3244 32.8437 173.3152 85 Y 5.2614 9.4907 128.4469 57.1045 39.1568 175.3450 86 L 4.3891 9.1476 128.0617 56.3994 43.0341 177.3678 87 A 4.5025 7.3508 117.3891 49.9475 22.2750 176.0322 88 D 4.2178 8.5894 120.6233 54.9841 41.0195 175.8418 89 D 4.9265 9.1921 122.6452 52.1680 43.1890 175.3436 90 E 4.1714 8.5727 124.3891 57.7224 29.9115 177.5205 91 G 3.9678 9.1616 111.0117 45.5892 0.0000 172.2485 92 L 5.0163 7.3522 116.9050 51.5650 45.4576 174.3368 93 P 4.5510 0.0000 0.0000 62.6532 31.7935 176.8007 94 T 4.0293 8.3181 116.6243 63.7309 68.8968 174.1505 95 A 4.0227 8.6285 129.6951 51.3093 19.5011 177.4690 96 N 4.8060 9.2363 119.2525 52.8640 38.1111 175.2924 97 G 3.9042 8.4190 105.4847 46.4747 0.0000 174.3853 98 Q 4.4460 7.5367 116.0631 56.0045 29.9803 175.3795 99 T 5.1192 8.4370 111.1095 61.1725 70.9498 173.2066 100 Y 5.1621 8.3117 119.7203 55.8919 42.0814 174.0512 101 V 5.0200 9.0508 120.6835 61.5330 34.5418 174.2012 102 L 4.7577 8.8407 126.7226 53.8357 43.8920 173.0400 103 P 4.8998 0.0000 0.0000 63.5277 32.5322 174.6352 104 A 4.6020 8.5011 121.8668 51.7517 23.5619 174.7332 105 G 4.0585 8.8386 105.0899 45.8554 0.0000 172.0752 106 A 5.1981 8.9694 120.4253 50.4653 23.0639 175.3548 107 F 5.1670 8.8208 118.1587 55.6676 42.7960 174.6788 108 F 5.9174 9.4573 119.7794 54.8264 43.2522 173.1262 109 Y 5.3960 8.7403 122.5410 55.9703 41.3672 174.1116 110 I 4.8015 8.2609 126.8212 59.6877 40.8826 174.3200 111 H 4.5460 8.6964 125.3799 55.8624 32.8816 172.7155 112 C 3.5461 9.2278 125.3533 60.4810 29.6814 173.4236 113 G 3.8752 8.3839 102.6309 45.2762 0.0000 174.0451 114 K 4.6102 7.6483 118.1224 53.8671 35.7159 175.4870 115 I 4.1842 8.4712 122.5462 61.4365 37.3374 176.4367 116 A 4.6442 9.0940 129.4857 51.6701 21.0230 176.3013 117 R 5.1108 7.8517 115.3778 54.9286 34.0932 173.7203 118 V 4.4322 9.0971 125.9443 61.3161 34.5952 174.0563 119 T 4.7119 8.6318 125.1197 61.8773 70.8170 172.8720 120 N 5.0559 8.4041 124.6367 52.1848 40.2529 174.6103 121 Y 5.3590 8.9783 119.7291 55.6972 42.5170 173.8425 122 Y 4.9399 8.1056 119.1778 55.4058 41.1400 174.1324 123 N 4.5963 8.7209 118.2099 52.6223 39.0020 174.8030 124 L 4.2668 8.3167 130.7784 58.1811 42.3001 178.2537 125 N 4.3972 8.2819 116.1761 56.2453 38.5590 176.6661 126 D 4.3379 8.5881 119.4773 57.0037 41.2688 178.0425 127 W 3.9953 8.2891 128.8141 60.5119 30.7193 177.9778 128 V 3.2698 8.3536 118.5138 65.9871 30.7082 177.5340 129 E 3.8772 8.0843 117.9281 59.4454 29.5269 178.5935 130 Q 4.0664 7.8282 117.1600 58.0405 28.8253 177.9761 131 V 4.0810 6.8105 110.4718 61.2220 32.8572 175.7233 132 A 4.1159 7.7889 126.1870 52.2836 18.2675 177.0323 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 G 8.34 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 *2 T 7.72 4.08 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 1.19 0.00 0.00 3 A 8.29 3.87 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 4 T 8.15 3.75 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 1.21 0.00 0.00 5 E 8.18 3.95 0.00 2.13 1.97 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 2.31 2.30 0.00 6 L 8.11 3.81 0.00 1.72 1.69 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.77 3.08 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 0.77 0.00 0.00 0.02 0.00 0.00 8 N 8.54 4.42 0.00 2.96 2.89 0.00 0.00 6.91 7.44 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 9 A 8.28 4.01 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 10 Y 8.07 3.90 0.00 2.78 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 11 Y 8.12 4.23 0.00 3.12 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 12 A 8.57 4.06 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 13 A 8.31 3.99 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 3.70 0.00 3.03 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 15 N 8.63 4.47 0.00 2.92 2.93 0.00 0.00 7.10 7.02 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 16 A 8.09 4.32 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 17 G 7.49 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 18 D 7.92 4.68 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 P 0.00 4.33 0.00 2.25 2.12 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 21 A 8.18 4.00 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 22 F 8.35 4.08 0.00 3.17 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 23 L 8.07 3.91 0.00 1.76 1.70 1.00 1.03 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 24 A 7.73 4.04 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 25 L 7.65 4.07 0.00 1.64 1.57 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.23 4.85 0.00 1.55 1.39 -0.06 0.59 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 27 S 8.61 4.34 0.00 3.97 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 28 E 8.84 3.94 0.00 2.07 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 2.39 2.43 0.00 29 D 7.83 5.15 0.00 2.72 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 30 V 7.43 3.95 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 0.84 0.00 0.00 1.07 0.00 0.00 31 I 8.84 4.33 1.92 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 1.14 0.79 0.90 0.00 0.00 32 H 9.22 5.10 0.00 2.91 2.95 0.00 5.59 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.91 4.88 0.00 2.45 2.45 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 34 I 7.95 3.88 1.86 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.01 0.92 0.00 0.00 35 N 8.72 4.39 0.00 2.67 2.28 0.00 0.00 7.22 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 36 Q 8.99 3.67 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 37 G 7.82 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 0.00 0.00 0.00 38 E 8.47 4.31 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 39 R 8.40 4.44 0.00 1.87 1.85 0.00 3.17 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 40 Q 8.90 4.64 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.29 0.00 0.00 0.00 0.00 0.00 2.36 2.18 0.00 *42 G 8.36 3.99 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 0.00 0.00 0.00 43 K 8.95 4.04 0.00 2.02 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.47 7.81 44 A 8.08 4.08 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 45 R 8.06 4.00 0.00 2.08 2.06 0.00 3.17 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 46 F 8.14 4.19 0.00 3.30 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 47 A 8.58 4.33 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 48 A 8.36 4.22 1.49 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 0.00 0.00 49 F 8.31 3.87 0.00 3.11 3.28 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 *51 E 8.09 4.40 0.00 2.32 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 2.32 2.56 0.00 52 K 7.83 4.11 0.00 1.81 1.74 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.41 7.81 *54 N 8.15 4.73 0.00 2.74 2.86 0.00 0.00 7.07 7.66 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 55 R 7.82 4.03 0.00 1.87 2.18 0.00 3.22 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 56 C 7.84 4.70 0.00 2.52 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.90 5.50 0.00 2.83 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 58 R 9.12 4.70 0.00 1.87 1.76 0.00 3.03 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 59 E 8.83 5.28 0.00 2.03 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 2.32 2.43 0.00 60 R 9.23 4.89 0.00 1.82 1.76 0.00 3.06 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 61 L 9.50 5.23 0.00 1.29 1.20 -0.34 0.69 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 62 A 8.99 4.74 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 63 D 8.64 4.56 0.00 2.89 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 64 I 7.90 4.24 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.40 0.78 0.00 0.00 65 V 8.99 4.36 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 0.96 0.00 0.00 0.95 0.00 0.00 66 V 8.63 5.19 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 0.99 0.00 0.00 1.04 0.00 0.00 *68 Q 8.41 4.29 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 69 N 8.56 4.70 0.00 2.94 3.06 0.00 0.00 7.24 6.80 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 70 A 8.56 3.99 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 71 D 8.10 4.48 0.00 2.79 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 72 G 8.07 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 73 S 8.46 4.66 0.00 4.11 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 0.00 74 R 8.24 5.41 0.00 1.81 1.95 0.00 3.68 0.00 0.00 3.53 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 75 A 9.02 5.17 1.20 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 0.00 0.00 76 A 8.50 5.19 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 77 A 9.16 5.06 1.55 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 0.00 0.00 78 E 8.86 4.82 0.00 1.93 1.69 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 2.02 2.13 0.00 79 F 7.74 5.26 0.00 3.19 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 80 T 8.90 4.91 4.40 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 1.18 0.00 0.00 81 V 9.03 4.30 2.30 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 1.14 0.00 0.00 1.13 0.00 0.00 82 H 9.52 5.17 0.00 3.20 3.18 0.00 5.61 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 83 G 8.57 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 84 Q 8.95 5.07 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 85 Y 9.49 5.26 0.00 3.48 3.18 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 86 L 9.15 4.39 0.00 1.57 1.66 0.94 0.69 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 87 A 7.35 4.50 1.13 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 0.00 0.00 88 D 8.59 4.22 0.00 2.50 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 9.19 4.93 0.00 2.86 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 90 E 8.57 4.17 0.00 2.03 1.91 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 2.34 2.33 0.00 91 G 9.16 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 92 L 7.35 5.02 0.00 2.04 1.90 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.55 0.00 2.13 2.02 0.00 3.94 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 1.94 2.15 0.00 94 T 8.32 4.03 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 1.22 0.00 0.00 95 A 8.63 4.02 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 9.24 4.81 0.00 2.70 2.77 0.00 0.00 7.09 6.54 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 97 G 8.42 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 98 Q 7.54 4.45 0.00 2.24 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 99 T 8.44 5.12 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 0.00 100 Y 8.31 5.16 0.00 3.15 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 0.00 101 V 9.05 5.02 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 0.74 0.00 0.00 0.93 0.00 0.00 102 L 8.84 4.76 0.00 1.82 1.82 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.90 0.00 2.06 2.06 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 104 A 8.50 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.84 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 0.00 106 A 8.97 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.82 5.17 0.00 2.88 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 0.00 108 F 9.46 5.92 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 8.74 5.40 0.00 3.03 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 0.00 110 I 8.26 4.80 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.74 0.84 0.00 0.00 111 H 8.70 4.55 0.00 2.48 2.88 0.00 5.93 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 C 9.23 3.55 0.00 2.99 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 0.00 113 G 8.38 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 0.00 114 K 7.65 4.61 0.00 1.68 1.65 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.45 7.81 115 I 8.47 4.18 1.78 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.45 0.94 0.00 0.00 116 A 9.09 4.64 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 0.00 117 R 7.85 5.11 0.00 1.98 1.89 0.00 3.09 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 118 V 9.10 4.43 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 0.94 0.00 0.00 0.98 0.00 0.00 119 T 8.63 4.71 4.12 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 0.66 0.00 0.00 120 N 8.40 5.06 0.00 2.55 2.84 0.00 0.00 6.83 6.74 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 0.00 121 Y 8.98 5.36 0.00 2.88 2.63 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 0.00 0.00 0.00 0.00 122 Y 8.11 4.94 0.00 2.91 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 0.00 123 N 8.72 4.60 0.00 2.83 2.88 0.00 0.00 6.50 6.66 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 0.00 124 L 8.32 4.27 0.00 1.63 1.63 1.09 0.64 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 0.00 125 N 8.28 4.40 0.00 2.98 2.89 0.00 0.00 6.79 8.08 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 0.00 126 D 8.59 4.34 0.00 2.87 2.96 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 0.00 127 W 8.29 4.00 0.00 3.48 3.44 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 0.00 128 V 8.35 3.27 2.27 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 0.94 0.00 0.00 1.24 0.00 0.00 129 E 8.08 3.88 0.00 2.34 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 0.00 2.32 2.23 0.00 130 Q 7.83 4.07 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 131 V 6.81 4.08 1.89 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 0.12 0.00 0.00 -0.18 0.00 0.00 132 A 7.79 4.12 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 * Residues marked with a * may have inaccurate shift predictions.