NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6975 8.2827 119.2082 53.0517 41.0177 175.8535 3 L 3.9663 7.7984 119.3346 57.2725 42.0336 176.8893 4 K 3.9356 8.7594 120.6868 59.7202 32.6746 177.9717 5 D 4.4223 8.0755 118.6717 57.0636 40.7248 178.5272 6 K 3.9027 8.6232 120.4900 59.5574 32.2130 178.7054 7 I 3.6853 7.5217 119.9360 64.4886 37.0528 178.1228 8 L 3.9859 7.9951 119.7349 57.9389 41.4575 180.0190 9 G 3.5861 8.3469 105.6016 47.8722 0.0000 175.9765 10 V 3.5769 8.5148 121.2048 65.3431 31.5303 177.8901 11 A 3.6456 8.5180 120.9151 55.1605 18.1428 178.9430 12 K 3.9241 8.4151 118.2928 60.4046 32.3254 178.6818 13 E 3.9748 8.2392 118.0560 59.0828 29.3271 179.7059 14 L 3.8911 7.9482 119.4273 57.7705 41.6280 179.2343 15 F 4.5041 8.3050 119.2791 60.1151 38.6686 177.7438 16 I 3.7426 7.9479 118.2971 64.4015 37.0181 178.1633 17 K 4.1252 7.8345 118.5217 58.8724 32.2044 177.6865 18 N 4.9092 8.4930 113.6151 51.4285 40.6934 176.0428 19 G 4.1842 8.5221 105.8908 45.4198 0.0000 174.1457 20 Y 4.1521 8.5986 119.4828 60.7673 38.9891 178.0831 21 N 4.4995 9.1387 115.9770 56.0901 38.9667 176.6840 22 A 4.0968 7.5004 120.2970 55.0869 19.0480 178.4095 23 T 3.9794 7.8381 113.6754 64.1477 69.0036 173.6730 24 T 4.6958 8.6276 117.1847 60.1417 72.4193 175.7750 25 T 3.9444 8.4174 119.3433 66.8780 68.4336 176.9537 26 G 3.6850 8.0851 107.0451 47.8034 0.0000 175.3467 27 E 3.9237 7.8746 121.0030 59.2830 29.3993 179.4561 28 I 3.5884 7.5810 119.7346 64.2953 37.0486 178.5559 29 V 3.5884 8.2918 119.2287 65.9077 31.3319 177.9815 30 K 3.9066 8.2564 119.3140 59.6867 31.9536 178.9216 31 L 4.0053 7.9488 117.9381 57.0077 41.5535 178.5941 32 S 4.4989 7.6387 111.9005 57.1575 63.7305 173.6049 33 E 3.9142 8.1878 120.9216 58.1464 28.1778 174.9719 34 S 4.8714 7.8162 115.2522 57.8444 62.8590 173.9625 35 S 4.6697 8.4177 110.6882 55.8269 66.4383 175.5054 36 K 4.0179 8.9117 124.0441 59.9120 31.7624 179.3977 37 G 3.7715 8.1963 105.1396 48.2160 0.0000 175.1135 38 N 4.5204 8.0155 119.6812 55.6646 38.8205 176.8602 39 L 4.2419 8.1769 122.1555 58.4885 42.3399 178.1873 40 Y 4.1386 8.6775 119.9596 60.8508 38.4538 177.4363 41 Y 3.9605 8.4211 120.0613 60.9630 38.9818 177.3891 42 H 3.9486 7.8187 115.7233 57.5624 29.0467 176.8069 43 F 4.7025 8.1297 117.2639 56.4663 40.9833 175.7018 44 K 3.7558 7.9799 121.2524 56.5549 31.0918 176.6679 45 T 4.8911 7.1882 106.5929 59.1644 73.3446 174.5843 46 K 4.0689 8.6433 121.8930 59.5242 32.0470 178.4450 47 E 4.1758 8.4238 119.2510 58.8209 29.6603 178.6038 48 N 4.5050 7.9982 116.4252 56.4658 39.2925 176.3718 49 L 3.5913 8.1114 122.0295 58.3865 41.9710 178.7641 50 F 3.8447 8.2977 120.0671 61.2748 39.1487 176.9796 51 L 3.7432 7.6717 118.4606 57.7584 41.2729 179.4262 52 E 3.9576 8.0245 118.0036 59.2884 29.4105 179.0143 53 I 3.5716 7.3307 119.3347 64.6200 37.2094 178.3299 54 L 3.6979 7.4047 119.4356 57.8461 41.2905 179.2434 55 N 4.3640 8.2071 117.0055 56.3106 38.8963 177.0818 56 I 3.7259 7.9940 121.6670 64.4350 37.2006 178.2512 57 E 4.0031 8.4181 119.5476 59.2593 29.2941 178.6329 58 E 3.9569 8.0856 119.4828 59.9260 29.5293 179.3997 59 S 4.2877 8.0291 114.3219 61.4733 62.7905 176.8140 60 K 4.0374 8.1411 121.3589 58.9238 31.6837 179.3010 61 W 4.4152 8.3140 130.1636 60.2471 30.7269 178.0933 62 Q 4.1172 8.4032 118.0939 58.9011 27.8790 178.4670 63 E 3.9234 8.5088 120.4554 59.4642 29.5043 178.9791 64 Q 4.0013 8.1896 118.1137 58.5740 28.7346 178.4357 65 W 4.3664 8.3740 129.5872 60.5996 30.5205 177.5470 66 K 3.4085 7.7873 118.0077 59.7398 31.7463 178.1413 67 S 4.0969 7.5461 111.6423 61.2835 62.4478 175.7858 68 E 4.0162 7.9378 122.2606 58.8599 29.4859 178.1639 69 Q 3.6741 7.6162 117.0441 57.6003 28.2906 178.0536 70 I 3.5805 6.8114 120.6407 64.4350 37.1394 177.2006 71 K 3.8338 7.7606 118.1523 58.5673 32.0804 176.7237 72 A 4.4942 7.3263 121.5736 50.2701 19.1189 176.5919 73 K 4.0009 8.7775 125.6998 59.6070 32.8498 178.0501 74 T 4.3519 7.7637 108.9152 60.8756 71.6355 175.2520 75 N 4.4251 8.7169 119.1378 56.1873 38.5950 177.7082 76 R 4.3874 8.8626 120.8696 59.7227 30.2628 178.4248 77 E 4.1436 8.1668 117.9738 59.2757 29.3990 179.4008 78 K 4.1919 8.5006 118.7108 59.7021 32.0914 178.8475 79 F 4.2285 8.5885 120.7417 61.7889 38.7533 176.7353 80 Y 3.9428 8.3764 115.6330 61.0876 37.6427 178.5163 81 L 4.1459 8.2663 121.2599 58.1506 42.2539 178.2352 82 Y 3.6255 8.5275 119.9554 60.8067 38.6158 177.8908 83 N 4.2515 7.7823 117.3028 56.1848 38.4837 177.3794 84 E 3.9590 7.9546 119.6575 59.4280 29.6453 179.2563 85 L 4.1694 8.0840 120.6561 57.3749 41.2942 179.8043 86 S 3.9275 8.0247 115.0749 61.3613 62.4923 176.5267 87 L 3.7806 7.3426 121.9209 58.1880 42.0082 178.8921 88 T 4.0259 8.3200 109.8015 65.8082 68.7178 176.8386 89 T 3.3282 7.6866 118.9290 65.9579 68.1616 175.4850 90 E 3.8114 7.3583 117.9977 59.6673 29.5799 178.1921 91 Y 4.0784 7.6847 116.5655 60.3091 37.9448 176.4519 92 Y 4.8677 7.7630 114.0826 56.2406 39.4001 174.4212 93 Y 4.5768 7.8907 123.1465 57.0658 39.5161 174.2863 94 P 4.3658 0.0000 0.0000 65.3051 32.0017 178.6201 95 L 3.9934 7.0294 117.4441 57.0955 41.1898 179.4608 96 Q 3.8416 7.1644 119.0399 59.2245 29.2196 179.1727 97 N 4.3645 7.8805 116.6505 56.1823 38.7594 177.4787 98 A 4.1305 7.9935 121.6150 54.8804 18.5090 179.6776 99 I 3.9304 8.1326 119.0324 64.6292 37.3250 178.5694 100 I 3.8564 7.6197 120.7156 64.4175 36.9093 177.9554 101 E 3.9436 8.0084 119.0132 59.5983 28.9338 179.2020 102 F 3.7102 7.9524 119.7183 61.4860 38.9897 176.3174 103 Y 4.3835 8.6575 119.7379 61.1744 38.3027 178.1388 104 T 4.0421 7.6202 108.2671 63.5289 69.3665 175.7830 105 E 3.9859 7.7568 120.6473 57.4536 29.8523 176.0300 106 Y 4.4799 7.2600 112.6534 57.9311 40.4933 176.1723 107 Y 4.2868 7.4117 118.4587 56.6906 35.9063 174.9714 *109 T 4.0076 7.7155 121.4423 64.6536 69.6007 175.6969 110 N 4.5941 8.7144 127.3417 56.5666 37.6322 173.6718 111 S 4.4957 7.9341 115.0023 62.5715 63.0990 176.4389 112 I 3.7831 7.7107 121.9512 64.4099 36.9197 177.9310 113 N 4.5013 8.3899 119.9616 56.9693 38.7662 177.1681 114 E 3.9931 7.9118 119.7419 61.4831 29.9256 183.2021 115 K 4.3197 8.0426 118.8778 59.2101 31.9837 179.3775 116 M 4.1533 7.7572 118.6837 58.2849 32.0501 178.2830 117 N 4.5454 8.4215 119.0927 57.0820 38.5100 178.0661 118 K 3.8554 7.9701 124.8011 60.0489 30.9270 180.4859 119 L 4.0336 7.8518 119.3874 57.9354 41.9347 178.4721 120 Q 4.2721 8.3183 119.5467 58.4868 29.0451 177.4708 121 N 4.3996 7.8013 117.4480 56.0556 38.2401 177.4181 122 K 4.0913 7.4519 119.9964 59.6110 32.5630 178.4194 123 Y 4.4449 7.9839 119.3922 60.7818 38.7740 177.9159 124 I 3.8675 8.2259 121.1438 64.1647 37.3540 177.6926 125 D 4.4933 8.2825 118.6647 56.9142 40.9244 178.3167 126 A 3.8686 7.5143 120.1785 55.3237 18.3432 179.0401 127 Y 3.7635 7.5398 114.4716 61.5761 38.0707 178.0048 128 H 4.6737 8.3263 120.3958 58.9395 29.8149 177.1942 129 V 3.5723 7.8248 119.1251 65.9962 31.3671 177.9351 130 I 3.8743 7.4536 119.0087 64.5903 36.9882 178.3874 131 F 4.5303 8.5358 118.7303 60.5502 38.6455 177.4749 132 K 3.9874 8.2808 119.2048 59.9689 32.0941 178.6854 133 E 4.1257 9.0163 119.1152 59.1863 29.2887 179.5405 134 G 3.0616 8.7229 106.3092 47.4713 0.0000 175.3961 135 N 4.5725 8.4760 118.7707 56.4678 38.4309 177.5350 136 L 4.0647 7.4813 118.9068 57.4883 41.8301 178.5366 137 N 4.5293 7.9411 113.9220 52.6419 39.6298 174.6438 138 G 3.6725 7.4710 107.5402 46.4840 0.0000 174.2728 139 E 4.0401 8.1749 117.7589 56.9580 30.4889 176.6503 140 W 4.7755 6.9220 113.2555 55.8280 30.4862 173.4489 141 S 4.6937 8.7881 113.1369 56.6744 62.4631 173.3524 142 I 4.3879 8.8756 129.7058 59.6754 38.3583 174.8952 143 N 4.8557 8.5386 124.0951 52.5416 38.1716 175.7910 144 D 4.5904 7.5152 113.8813 53.2189 40.3446 177.5991 145 V 3.5694 7.4428 122.0201 66.6205 32.2165 179.2686 146 N 4.5368 8.1125 115.1181 56.2905 38.3698 177.2128 147 A 3.8640 7.7761 121.7161 55.2811 18.7160 179.5335 148 V 3.3803 7.2889 116.2772 66.1936 31.3781 178.5546 149 S 4.2275 7.8127 114.5996 61.5029 62.8658 176.5463 150 K 3.9065 7.7965 121.0152 59.5747 31.8152 179.3834 151 I 3.6427 8.0305 119.8494 64.3357 37.0222 178.1087 152 A 3.5489 7.9652 121.2820 55.0436 18.1099 179.2356 153 A 3.7569 7.3979 118.8626 55.7312 18.5024 179.7413 154 N 4.3733 8.0821 113.8559 55.7258 38.5872 177.7629 155 A 3.8154 8.4206 122.9039 55.0245 18.4275 179.5549 156 V 3.1003 7.6629 116.8535 66.2837 31.5555 177.5627 157 N 4.2001 8.2998 116.6776 56.7238 38.5522 177.0004 158 G 3.7033 8.1087 107.0312 47.8012 0.0000 175.8609 159 I 3.6569 7.3438 121.3258 63.9335 37.1710 178.2476 160 V 3.6215 7.6088 118.0753 66.6481 31.4037 177.9760 161 T 3.8496 7.7221 114.0433 65.6834 68.2551 175.4959 162 F 4.8685 7.8264 117.4310 57.6318 39.4715 176.2638 163 T 4.9645 7.4491 113.8904 62.1469 68.8749 173.1673 164 H 4.6788 8.1029 114.1520 56.5130 30.9619 175.0265 165 E 4.5112 8.1727 116.7100 57.2142 31.3793 176.2568 166 Q 4.2589 7.8044 116.6628 54.4634 29.7831 175.3913 167 N 4.5762 8.4429 117.1255 52.6455 38.3600 175.9261 168 I 3.7157 8.4732 119.7640 64.3332 37.9102 177.9103 169 N 4.2940 8.1310 116.9362 56.4376 38.4178 176.6501 170 E 3.9919 7.9449 120.5635 59.4742 29.7099 179.0929 171 R 3.9974 7.9432 117.6089 59.1180 30.2443 178.8792 172 I 3.9021 7.9275 121.9226 64.6864 37.1467 179.1761 173 K 4.0820 7.9318 124.2543 59.6675 31.4663 181.7034 174 L 4.2135 8.1870 120.4398 57.9758 41.5841 179.1660 175 M 4.0757 8.0788 118.0575 59.0110 32.0444 178.0578 176 N 4.4521 8.3768 116.5242 56.0683 38.6866 177.3927 177 K 4.0425 8.0565 120.8532 59.1795 32.2449 178.7771 178 F 4.1642 8.7463 121.4926 61.5840 39.5164 177.1715 179 S 4.0181 8.5027 115.1647 61.5626 62.4478 176.7823 180 Q 4.1348 8.0872 123.5613 58.7434 28.9564 178.1108 181 I 3.6774 7.8003 120.7764 64.4693 36.9761 177.9398 182 F 3.7819 7.9688 120.1380 61.3128 39.2473 176.4324 183 L 3.8912 7.7706 118.8047 58.0338 41.9020 178.2101 184 N 4.5844 8.3981 117.1315 56.3487 39.2362 176.4307 185 G 4.0492 7.8021 105.8385 45.2084 0.0000 173.8082 186 L 4.4887 7.6280 117.3332 53.8540 43.4649 177.3619 187 S 4.3819 7.4959 119.4166 58.2967 62.9830 173.8533 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 2 N 8.28 4.70 0.00 2.75 2.89 0.00 0.00 6.72 5.78 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 3 L 7.80 3.97 0.00 1.90 1.68 0.96 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.76 3.94 0.00 1.70 1.76 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.57 1.25 7.81 5 D 8.08 4.42 0.00 2.90 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 6 K 8.62 3.90 0.00 1.90 1.88 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.54 7.81 7 I 7.52 3.69 2.19 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 0.89 0.00 0.00 8 L 8.00 3.99 0.00 1.92 1.74 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.35 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.51 3.58 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 1.01 0.00 0.00 0.96 0.00 0.00 11 A 8.52 3.65 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 3.92 0.00 1.91 2.00 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.52 7.81 13 E 8.24 3.97 0.00 1.98 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 2.33 2.50 0.00 14 L 7.95 3.89 0.00 1.71 1.36 0.76 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.30 4.50 0.00 3.33 3.16 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 16 I 7.95 3.74 2.03 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 1.35 0.66 0.90 0.00 0.00 17 K 7.83 4.13 0.00 1.77 1.96 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 18 N 8.49 4.91 0.00 2.84 2.81 0.00 0.00 7.21 7.21 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 19 G 8.52 4.18 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 0.00 20 Y 8.60 4.15 0.00 2.64 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 21 N 9.14 4.50 0.00 2.74 2.89 0.00 0.00 7.13 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 22 A 7.50 4.10 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 23 T 7.84 3.98 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 24 T 8.63 4.70 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 1.22 0.00 0.00 25 T 8.42 3.94 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 1.26 0.00 0.00 26 G 8.09 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 27 E 7.87 3.92 0.00 2.11 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 2.29 2.31 0.00 28 I 7.58 3.59 1.94 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.14 0.85 0.00 0.00 29 V 8.29 3.59 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 1.12 0.00 0.00 0.98 0.00 0.00 30 K 8.26 3.91 0.00 1.96 1.77 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.52 7.81 31 L 7.95 4.01 0.00 1.71 1.69 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.64 4.50 0.00 3.98 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 33 E 8.19 3.91 0.00 2.12 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 0.00 2.25 2.23 0.00 34 S 7.82 4.87 0.00 3.83 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.42 4.67 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 36 K 8.91 4.02 0.00 1.86 1.99 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.57 7.81 37 G 8.20 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.02 4.52 0.00 2.90 3.03 0.00 0.00 6.96 6.33 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 39 L 8.18 4.24 0.00 2.07 1.98 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.68 4.14 0.00 3.17 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 41 Y 8.42 3.96 0.00 2.96 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 7.82 3.95 0.00 2.57 1.86 0.00 5.84 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.13 4.70 0.00 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0.00 0.00 0.00 0.00 60 K 8.14 4.04 0.00 2.08 1.96 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.66 7.81 61 W 8.31 4.42 0.00 3.39 3.32 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 62 Q 8.40 4.12 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.63 2.81 0.00 63 E 8.51 3.92 0.00 2.20 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 0.00 2.31 2.37 0.00 64 Q 8.19 4.00 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 65 W 8.37 4.37 0.00 2.68 3.02 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 66 K 7.79 3.41 0.00 1.78 1.95 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 67 S 7.55 4.10 0.00 3.90 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 68 E 7.94 4.02 0.00 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7.81 119 L 7.85 4.03 0.00 1.98 1.88 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.32 4.27 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 121 N 7.80 4.40 0.00 3.00 2.89 0.00 0.00 6.86 7.11 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 0.00 122 K 7.45 4.09 0.00 2.27 2.15 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.50 7.81 123 Y 7.98 4.44 0.00 2.93 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 0.00 124 I 8.23 3.87 2.05 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 1.45 0.83 0.96 0.00 0.00 125 D 8.28 4.49 0.00 3.07 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 0.00 126 A 7.51 3.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.54 3.76 0.00 3.24 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 0.00 128 H 8.33 4.67 0.00 3.36 3.62 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.82 3.57 2.29 0.00 0.00 0.00 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 1.04 0.00 0.00 130 I 7.45 3.87 1.75 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.65 1.04 0.00 0.00 131 F 8.54 4.53 0.00 3.11 3.02 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 0.00 132 K 8.28 3.99 0.00 1.88 2.08 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.54 7.81 133 E 9.02 4.13 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 2.51 2.49 0.00 134 G 8.72 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 0.00 0.00 0.00 135 N 8.48 4.57 0.00 3.15 2.98 0.00 0.00 7.01 6.83 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 0.00 136 L 7.48 4.06 0.00 1.69 1.71 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 137 N 7.94 4.53 0.00 2.53 2.74 0.00 0.00 7.04 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 0.00 138 G 7.47 3.67 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 0.00 0.00 0.00 139 E 8.17 4.04 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 2.01 1.90 0.00 140 W 6.92 4.78 0.00 3.30 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 0.00 141 S 8.79 4.69 0.00 3.87 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 0.00 142 I 8.88 4.39 1.87 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.75 0.77 0.00 0.00 143 N 8.54 4.86 0.00 2.80 2.90 0.00 0.00 6.13 8.06 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 0.00 144 D 7.52 4.59 0.00 2.73 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 0.00 145 V 7.44 3.57 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 0.85 0.00 0.00 0.93 0.00 0.00 146 N 8.11 4.54 0.00 2.70 2.85 0.00 0.00 7.06 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.78 3.86 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 0.00 148 V 7.29 3.38 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 0.37 0.00 0.00 0.73 0.00 0.00 149 S 7.81 4.23 0.00 4.22 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 0.00 150 K 7.80 3.91 0.00 2.00 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.61 7.81 151 I 8.03 3.64 2.08 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 1.47 0.78 1.09 0.00 0.00 152 A 7.97 3.55 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 0.00 153 A 7.40 3.76 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 0.00 154 N 8.08 4.37 0.00 2.81 2.88 0.00 0.00 7.01 6.86 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 0.00 155 A 8.42 3.82 1.21 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 0.00 0.00 156 V 7.66 3.10 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 1.02 0.00 0.00 0.97 0.00 0.00 157 N 8.30 4.20 0.00 2.92 2.77 0.00 0.00 7.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.11 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.34 3.66 1.78 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.43 0.82 0.00 0.00 160 V 7.61 3.62 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 0.65 0.00 0.00 0.86 0.00 0.00 161 T 7.72 3.85 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 0.41 0.00 0.00 162 F 7.83 4.87 0.00 3.12 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 0.00 163 T 7.45 4.96 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 1.30 0.00 0.00 164 H 8.10 4.68 0.00 3.02 3.21 0.00 5.68 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 0.00 165 E 8.17 4.51 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 2.27 2.25 0.00 166 Q 7.80 4.26 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 167 N 8.44 4.58 0.00 2.92 2.98 0.00 0.00 5.57 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 0.00 168 I 8.47 3.72 1.45 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.14 0.78 0.00 0.00 169 N 8.13 4.29 0.00 2.93 2.87 0.00 0.00 6.80 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 0.00 170 E 7.94 3.99 0.00 2.05 2.14 0.00 0.00 0.00 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 2.43 0.00 171 R 7.94 4.00 0.00 1.97 2.01 0.00 3.34 0.00 0.00 3.49 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 172 I 7.93 3.90 1.90 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 1.40 0.75 0.96 0.00 0.00 173 K 7.93 4.08 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.36 7.81 174 L 8.19 4.21 0.00 1.89 1.79 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 175 M 8.08 4.08 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.76 0.00 176 N 8.38 4.45 0.00 3.01 3.13 0.00 0.00 6.68 8.21 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 0.00 177 K 8.06 4.04 0.00 2.08 2.10 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.57 7.81 178 F 8.75 4.16 0.00 3.19 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 0.00 179 S 8.50 4.02 0.00 3.39 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 0.00 180 Q 8.09 4.13 0.00 2.47 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 181 I 7.80 3.68 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.92 0.00 0.00 182 F 7.97 3.78 0.00 2.14 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 0.00 183 L 7.77 3.89 0.00 2.05 1.81 -0.18 1.45 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 0.00 184 N 8.40 4.58 0.00 2.93 3.04 0.00 0.00 7.10 8.36 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 0.00 185 G 7.80 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 0.00 0.00 0.00 0.00 186 L 7.63 4.49 0.00 1.50 1.50 0.42 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.50 4.38 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.