NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7167 8.2976 120.6414 56.3674 44.7086 174.5643 2 Y 3.8739 8.6805 123.1453 58.6942 38.2010 175.0484 3 L 4.2640 7.9487 121.1439 54.7064 43.3305 179.1698 4 S 4.0783 7.9496 117.2097 62.1378 62.7576 177.0889 5 R 3.9168 7.8594 119.7215 59.0241 29.8429 178.7263 6 K 3.8368 7.9935 118.9531 59.5693 32.1428 178.4176 7 L 4.1332 8.3452 119.3587 58.3334 41.5966 179.5573 8 M 4.1100 7.9098 117.9420 58.3505 31.8470 178.8866 9 L 4.0588 8.0594 119.2531 57.5780 41.6304 179.2083 10 D 4.3132 8.4940 119.1464 57.3027 40.7408 178.6482 11 A 4.0803 8.0497 121.1010 55.2994 18.4289 179.8317 12 R 3.8442 8.0190 116.5522 59.4709 30.1427 178.9872 13 E 3.9534 8.1916 119.0436 59.2616 29.5117 178.6290 14 N 4.3132 8.3565 116.7028 56.2283 38.5310 177.3631 15 L 3.9936 8.1620 120.6241 57.5548 41.6925 179.5183 16 K 3.9091 8.1543 119.5723 59.4953 32.1841 178.9296 17 L 3.9505 7.8792 119.2950 57.6885 41.5381 179.3152 18 L 3.8449 8.0333 120.4520 57.9810 41.9403 178.5076 19 D 4.3017 8.2950 118.2352 57.2633 41.2126 178.1408 20 R 3.8808 8.0589 119.4728 59.6664 29.8801 178.4073 21 M 4.0893 7.9141 115.6162 58.3737 31.5660 178.0220 22 N 4.5080 8.3174 117.5506 56.2930 38.5544 177.6789 23 R 4.0406 8.2708 118.4652 58.3707 30.1897 178.0287 24 L 4.6259 7.6525 116.6574 53.0704 42.1631 176.4964 25 S 4.0469 7.4799 115.5897 58.0896 62.7812 173.5749 26 P 4.3627 0.0000 0.0000 64.0940 31.2836 175.8520 27 H 5.0746 7.3897 115.9459 54.3546 30.6057 174.9564 28 S 4.8511 8.3054 118.0780 57.7278 63.4735 174.4636 29 C 4.0235 8.2389 116.6767 60.1960 28.9696 174.2496 30 L 4.2457 8.3365 122.4810 54.5394 41.8581 178.1561 31 Q 4.1389 8.9273 121.0955 57.5380 28.7174 175.7416 32 D 4.2887 8.1858 118.2207 54.9836 39.7907 176.1423 33 R 3.5776 7.0519 124.4980 53.0319 32.8832 175.1031 34 K 3.9769 7.5503 119.8190 55.8098 34.7836 173.4825 35 D 4.7321 8.3147 124.7662 52.6671 43.4553 174.9892 36 F 4.4122 9.0177 123.6477 56.3259 39.7967 175.5661 37 G 3.9867 8.2863 108.8208 46.2301 0.0000 174.5445 38 L 3.3704 7.9692 119.7497 54.1595 42.9465 175.9997 39 P 4.6000 0.0000 0.0000 61.7268 29.6336 177.3362 40 Q 3.9619 7.8745 119.2792 59.0683 29.7006 179.6231 41 E 3.8741 8.8317 117.5332 61.2920 29.1331 180.1888 42 M 3.4191 7.5036 114.0980 56.7198 32.0156 178.1129 43 V 4.1293 7.2880 120.2654 61.1624 32.4598 177.1449 44 E 4.2158 8.5620 120.9780 58.4868 29.5963 176.9130 45 G 3.9427 7.4578 103.4514 43.6875 0.0000 171.0902 46 D 4.4236 8.0366 117.6977 55.2990 38.8367 172.7080 47 Q 4.5838 7.7405 110.2374 55.8825 29.8251 176.0135 48 L 4.7131 7.4807 116.4483 55.1234 43.6611 175.4874 49 Q 4.2391 8.4523 119.2674 55.4872 29.7190 177.3563 50 K 4.0321 8.6540 121.2260 59.6115 32.3445 178.2847 51 D 4.6199 8.0840 115.8994 54.6273 39.8456 176.7633 52 Q 4.4270 7.7933 120.0304 57.4047 30.1244 176.8727 53 A 4.0013 8.3152 122.4588 55.0117 18.3803 179.2036 54 F 3.9905 8.1380 118.8982 61.0661 39.5680 175.5717 55 P 4.3462 0.0000 0.0000 65.9298 30.9878 178.4590 56 V 3.6252 7.7287 117.9554 65.6498 31.4501 177.8254 57 L 3.9217 8.0642 120.2533 58.2497 41.8602 178.2419 58 Y 3.6691 7.9825 119.7664 60.6797 38.6786 178.0109 59 E 4.0058 8.3105 119.5240 59.5520 29.5658 179.1933 60 M 4.2420 8.1298 118.7969 58.5239 32.0754 178.8700 61 L 4.0325 7.8526 119.1159 57.5272 41.7025 179.2869 62 Q 3.8275 7.9976 119.7610 59.3236 28.9855 178.3734 63 Q 3.7418 7.8422 118.9898 58.7700 28.4929 178.9317 64 S 4.2111 7.8039 116.1583 61.5784 62.8599 176.5060 65 F 4.2075 8.7987 123.5806 61.4333 39.1321 176.7783 66 N 4.2901 8.6380 116.4971 56.2533 38.3321 177.1062 67 L 4.1864 8.0209 122.9760 57.8674 42.1526 179.1204 68 F 4.2242 8.0667 117.3382 60.1284 38.7370 177.2628 69 Y 3.6227 8.0031 119.9701 60.8106 38.3205 177.9211 70 T 4.0424 8.0608 115.8141 66.5081 68.8406 176.0874 71 E 3.2282 8.2355 121.4692 59.0508 29.1019 178.2986 72 H 3.9506 8.2638 118.6137 59.3534 29.7313 177.2790 73 S 4.0882 7.9763 116.0661 60.6034 62.6937 175.1236 74 S 4.4979 7.2376 111.7489 57.2155 64.1606 173.9368 75 A 4.0923 7.6556 124.4121 51.3771 18.9911 177.1006 76 A 4.2147 8.2119 120.3604 51.9556 18.9126 178.8187 77 W 4.6737 8.8171 119.7986 59.4753 29.6961 176.3246 78 D 4.9026 7.5091 116.5302 53.5073 40.7001 177.7960 79 T 4.3576 7.4535 117.7528 62.5616 67.9122 176.1442 80 T 3.9452 8.0522 123.5068 66.1523 68.5807 175.9280 81 L 3.9893 7.7882 120.8840 57.5316 41.7701 178.9478 82 L 3.8165 7.7629 119.9474 57.8540 41.9979 178.4770 83 E 3.7522 7.9604 119.1206 59.3840 29.6275 178.8531 84 Q 3.9548 8.0752 118.1100 58.7063 28.6130 178.5885 85 L 3.8214 8.0294 121.5677 58.1810 42.0220 178.7552 86 C 4.2358 8.0086 116.5806 63.3015 28.1491 176.1661 87 T 4.0314 8.2938 117.6422 66.8322 68.0616 176.9678 88 G 3.8811 8.5457 109.0702 47.0925 0.0000 175.8446 89 L 4.0954 8.2839 121.6841 57.5372 41.6730 179.1634 90 Q 3.5726 8.4800 119.9248 58.9779 28.8727 178.0055 91 Q 3.8066 8.0750 120.5489 59.3251 29.0389 178.1648 92 Q 4.1939 7.9215 121.7531 58.6159 28.9736 178.3309 93 L 3.7957 7.9156 119.9974 57.7871 41.6391 179.1532 94 D 4.3607 8.3812 119.2665 57.6802 40.8054 178.6371 95 H 4.2785 8.3221 116.8328 58.8749 28.4963 177.7832 96 L 4.1579 7.9617 119.7188 58.1101 41.7446 179.0643 97 D 4.6437 8.6253 118.8974 57.7340 40.5178 178.9297 98 T 3.9407 7.8930 115.4776 66.8270 68.5267 175.7125 99 C 4.5067 7.9640 116.8604 58.4945 40.4198 174.1241 100 R 4.0908 7.6735 119.8108 55.5708 30.7127 176.2385 101 G 3.7870 8.0389 103.9489 47.0931 0.0000 173.5818 *114 M 4.4106 8.0330 120.6768 55.8868 34.1965 177.3313 115 D 4.4205 8.2017 120.9067 58.1149 39.7610 181.2669 116 P 4.4741 0.0000 0.0000 65.8757 31.2566 178.4726 117 I 3.7870 7.7528 119.0371 64.0904 37.0663 178.3998 118 V 3.7116 8.4005 119.6311 66.2026 31.3073 178.2852 119 T 3.9923 8.1513 115.6470 66.1557 68.0887 176.9484 120 V 3.7613 7.5928 120.6344 65.9609 31.7278 178.1393 121 K 4.1238 8.1518 118.1873 59.6541 31.8566 179.4919 122 K 4.1361 8.4378 118.7914 59.3266 31.9819 178.7863 123 Y 4.1244 7.9431 119.5732 60.9936 38.7851 178.3669 124 F 3.8781 8.9304 121.2230 60.9274 38.8884 178.4153 125 Q 4.4096 8.4866 120.8411 60.1088 28.0188 182.2310 126 G 3.8319 8.2379 106.6488 47.2542 0.0000 176.1582 127 I 3.6668 7.0596 120.9726 64.6035 36.8318 177.8629 128 Y 3.8973 7.7577 117.4671 61.1998 37.7122 178.4860 129 D 4.3940 8.4628 119.9310 57.5136 40.7635 178.2780 130 Y 4.1335 7.9097 119.4917 60.6711 38.8332 178.1380 131 L 3.2879 7.8238 120.0537 57.4768 41.5278 179.4922 132 Q 3.9129 8.4523 119.3240 58.8576 28.5147 178.6439 133 E 4.0698 8.3129 117.0231 58.0786 29.4928 178.0992 134 K 4.2759 7.1659 118.7496 54.7945 32.2480 176.4511 135 G 3.7644 8.1069 106.9465 47.0799 0.0000 173.3237 136 Y 3.2408 7.9738 113.6523 57.9570 36.4289 172.1854 137 S 4.4209 7.3194 112.0675 58.3177 65.0750 173.6443 138 D 4.5316 8.6867 122.2375 58.1319 40.5895 179.0310 139 C 4.3094 8.1044 116.1173 62.2824 28.2579 175.7331 140 A 4.0876 8.2203 123.0310 55.0013 17.8724 179.7558 141 W 4.2174 8.2654 117.5020 59.8254 29.2605 178.4005 142 E 4.0948 8.3976 119.3962 59.3769 29.1435 178.9651 143 I 3.7749 7.9837 119.8680 64.4905 37.1390 178.6340 144 V 3.1622 7.8453 119.0673 65.9045 31.0603 178.3298 145 R 4.1358 8.1460 117.1165 59.0281 30.1331 178.8211 146 V 3.8054 7.7775 117.9769 65.7219 31.5508 177.7377 147 E 3.9390 8.0032 119.1412 59.4449 29.3246 178.7175 148 M 4.1878 8.3305 119.0497 58.3969 31.9331 178.6002 149 M 4.1366 7.8736 118.9031 58.2638 32.0752 178.9996 150 R 3.8822 7.8474 117.5585 59.2501 30.4396 178.7231 151 A 3.9767 8.0874 120.5402 55.2526 18.3217 179.6952 152 L 4.1257 8.4638 117.7333 57.8358 41.7410 179.8921 153 T 3.8840 7.8714 116.0451 66.7814 68.4581 177.2078 154 V 3.6823 7.8705 114.6029 64.3192 31.5666 178.7925 155 S 4.2389 8.1602 113.8432 61.3741 62.8798 176.7058 156 T 3.9762 7.6743 119.5581 66.7439 68.0672 176.9471 157 T 3.9258 7.8209 117.3511 66.2942 68.4475 176.6389 158 L 3.9336 7.9056 122.3863 58.2170 42.2070 178.6874 159 Q 3.9824 8.1589 119.5325 58.9234 28.7816 178.2175 160 K 3.9372 8.2748 123.1307 60.2906 32.0500 179.3716 161 R 3.8851 7.4919 119.2063 61.7566 29.3259 180.3183 162 L 4.3942 7.7415 118.4436 58.1749 41.6104 178.9378 163 T 4.1738 7.7805 115.6865 65.6758 68.6118 174.9135 164 K 4.1522 9.0997 126.6955 56.9301 32.0448 177.1155 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 C 8.30 4.72 0.00 2.98 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 2 Y 8.68 3.87 0.00 3.20 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.95 4.26 0.00 1.40 1.42 0.68 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.95 4.08 0.00 3.90 3.93 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 5 R 7.86 3.92 0.00 1.81 1.97 0.00 3.31 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 6 K 7.99 3.84 0.00 1.77 1.83 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.35 7.81 7 L 8.35 4.13 0.00 1.91 1.70 0.94 0.96 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 8 M 7.91 4.11 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.90 0.00 9 L 8.06 4.06 0.00 1.86 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.49 4.31 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 11 A 8.05 4.08 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 12 R 8.02 3.84 0.00 1.88 1.99 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 13 E 8.19 3.95 0.00 2.16 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 2.30 2.37 0.00 14 N 8.36 4.31 0.00 2.76 2.81 0.00 0.00 7.01 6.31 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 15 L 8.16 3.99 0.00 1.86 1.71 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.15 3.91 0.00 1.93 1.94 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 17 L 7.88 3.95 0.00 1.79 1.61 0.92 0.50 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 18 L 8.03 3.84 0.00 1.57 1.61 1.00 1.24 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 19 D 8.29 4.30 0.00 2.88 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 20 R 8.06 3.88 0.00 2.01 2.02 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 21 M 7.91 4.09 0.00 2.30 2.15 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 2.60 2.74 0.00 22 N 8.32 4.51 0.00 2.93 2.94 0.00 0.00 6.98 7.12 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 23 R 8.27 4.04 0.00 1.87 2.00 0.00 3.47 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 24 L 7.65 4.63 0.00 1.61 1.68 0.91 0.69 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 25 S 7.48 4.05 0.00 4.01 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 0.00 26 P 0.00 4.36 0.00 1.90 2.10 0.00 3.43 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 1.96 2.14 0.00 27 H 7.39 5.07 0.00 3.13 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.31 4.85 0.00 3.86 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 29 C 8.24 4.02 0.00 3.01 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 30 L 8.34 4.25 0.00 1.73 1.60 1.00 0.83 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 31 Q 8.93 4.14 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 32 D 8.19 4.29 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.05 3.58 0.00 1.75 1.73 0.00 3.31 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 34 K 7.55 3.98 0.00 1.58 1.46 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 0.58 7.81 35 D 8.31 4.73 0.00 2.51 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 36 F 9.02 4.41 0.00 3.18 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 37 G 8.29 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 38 L 7.97 3.37 0.00 1.66 1.54 0.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.60 0.00 2.13 1.96 0.00 3.21 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 40 Q 7.87 3.96 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.96 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 41 E 8.83 3.87 0.00 1.98 2.18 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 2.40 2.39 0.00 42 M 7.50 3.42 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.78 0.00 43 V 7.29 4.13 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 0.75 0.00 0.00 0.97 0.00 0.00 44 E 8.56 4.22 0.00 1.92 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 2.32 2.32 0.00 45 G 7.46 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 0.00 0.00 0.00 46 D 8.04 4.42 0.00 2.80 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 47 Q 7.74 4.58 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.40 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 48 L 7.48 4.71 0.00 1.72 1.64 0.97 0.62 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 49 Q 8.45 4.24 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 50 K 8.65 4.03 0.00 1.81 1.82 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.49 7.81 51 D 8.08 4.62 0.00 2.81 2.78 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 0.00 52 Q 7.79 4.43 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 53 A 8.32 4.00 1.42 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 0.00 0.00 0.00 54 F 8.14 3.99 0.00 3.16 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.35 0.00 2.39 2.44 0.00 3.95 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 56 V 7.73 3.63 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 1.01 0.00 0.00 1.02 0.00 0.00 57 L 8.06 3.92 0.00 1.76 1.71 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 7.98 3.67 0.00 2.62 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 59 E 8.31 4.01 0.00 2.34 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 0.00 2.43 2.57 0.00 60 M 8.13 4.24 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.98 0.00 61 L 7.85 4.03 0.00 1.40 1.55 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.00 3.83 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 63 Q 7.84 3.74 0.00 0.96 0.88 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 2.31 2.23 0.00 64 S 7.80 4.21 0.00 4.19 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 65 F 8.80 4.21 0.00 3.14 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 66 N 8.64 4.29 0.00 3.00 2.97 0.00 0.00 6.71 6.38 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 67 L 8.02 4.19 0.00 1.81 1.65 0.44 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.07 4.22 0.00 3.09 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 69 Y 8.00 3.62 0.00 2.30 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.06 4.04 4.78 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 1.62 0.00 0.00 71 E 8.24 3.23 0.00 1.16 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 72 H 8.26 3.95 0.00 3.16 3.22 0.00 5.85 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 73 S 7.98 4.09 0.00 3.99 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 74 S 7.24 4.50 0.00 3.94 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 75 A 7.66 4.09 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 76 A 8.21 4.21 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 77 W 8.82 4.67 0.00 3.28 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 78 D 7.51 4.90 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.45 4.36 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 1.18 0.00 0.00 80 T 8.05 3.95 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 81 L 7.79 3.99 0.00 1.64 1.65 0.91 0.58 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 82 L 7.76 3.82 0.00 1.69 1.79 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.96 3.75 0.00 2.03 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 0.00 2.28 2.28 0.00 84 Q 8.08 3.95 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 85 L 8.03 3.82 0.00 1.57 1.56 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.01 4.24 0.00 3.19 3.14 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 0.00 0.00 0.00 87 T 8.29 4.03 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 1.22 0.00 0.00 88 G 8.55 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 89 L 8.28 4.10 0.00 2.12 1.93 1.12 1.08 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 90 Q 8.48 3.57 0.00 1.87 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 91 Q 8.07 3.81 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 92 Q 7.92 4.19 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 93 L 7.92 3.80 0.00 1.70 1.49 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.38 4.36 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.32 4.28 0.00 3.31 3.28 0.00 5.64 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 96 L 7.96 4.16 0.00 1.94 1.94 0.78 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.63 4.64 0.00 2.94 2.78 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 0.00 98 T 7.89 3.94 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 1.32 0.00 0.00 99 C 7.96 4.51 0.00 3.32 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 0.00 100 R 7.67 4.09 0.00 2.07 1.79 0.00 3.04 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.71 0.00 101 G 8.04 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *114 M 8.03 4.41 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 115 D 8.20 4.42 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 0.00 116 P 0.00 4.47 0.00 2.28 2.36 0.00 3.68 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 2.11 2.29 0.00 117 I 7.75 3.79 2.08 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 1.58 0.88 0.97 0.00 0.00 118 V 8.40 3.71 2.33 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 1.08 0.00 0.00 0.99 0.00 0.00 119 T 8.15 3.99 4.44 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 1.24 0.00 0.00 120 V 7.59 3.76 2.37 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 1.42 0.00 0.00 1.06 0.00 0.00 121 K 8.15 4.12 0.00 2.13 1.95 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.75 7.81 122 K 8.44 4.14 0.00 2.02 1.94 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.50 7.81 123 Y 7.94 4.12 0.00 2.97 3.17 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 0.00 124 F 8.93 3.88 0.00 3.24 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 0.00 125 Q 8.49 4.41 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 126 G 8.24 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.06 3.67 1.68 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.06 0.33 0.00 0.00 128 Y 7.76 3.90 0.00 3.07 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 0.00 129 D 8.46 4.39 0.00 2.72 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 0.00 130 Y 7.91 4.13 0.00 3.18 3.24 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 0.00 131 L 7.82 3.29 0.00 1.15 0.13 -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 8.45 3.91 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 133 E 8.31 4.07 0.00 1.98 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 0.00 2.13 2.10 0.00 134 K 7.17 4.28 0.00 1.36 1.53 0.00 1.54 0.00 0.00 1.37 0.00 0.00 2.57 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.76 0.35 7.81 135 G 8.11 3.76 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 0.00 0.00 0.00 136 Y 7.97 3.24 0.00 3.09 3.27 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 0.00 137 S 7.32 4.42 0.00 4.09 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 0.00 138 D 8.69 4.53 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.10 4.31 0.00 2.99 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 0.00 140 A 8.22 4.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.27 4.22 0.00 3.68 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 0.00 142 E 8.40 4.09 0.00 2.26 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 2.39 2.48 0.00 143 I 7.98 3.77 2.29 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 0.98 0.00 0.00 144 V 7.85 3.16 2.17 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 0.85 0.00 0.00 0.62 0.00 0.00 145 R 8.15 4.14 0.00 2.13 2.32 0.00 3.50 0.00 0.00 3.52 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 146 V 7.78 3.81 2.25 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 1.02 0.00 0.00 1.01 0.00 0.00 147 E 8.00 3.94 0.00 1.88 1.67 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 1.47 2.06 0.00 148 M 8.33 4.19 0.00 2.39 2.47 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.75 0.00 149 M 7.87 4.14 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.76 0.00 150 R 7.85 3.88 0.00 2.16 1.97 0.00 3.15 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 151 A 8.09 3.98 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 0.00 152 L 8.46 4.13 0.00 1.81 1.78 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 153 T 7.87 3.88 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 1.21 0.00 0.00 154 V 7.87 3.68 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 0.84 0.00 0.00 0.97 0.00 0.00 155 S 8.16 4.24 0.00 4.08 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 0.00 156 T 7.67 3.98 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 157 T 7.82 3.93 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 1.21 0.00 0.00 158 L 7.91 3.93 0.00 1.90 1.84 0.94 0.56 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 0.00 159 Q 8.16 3.98 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 160 K 8.27 3.94 0.00 2.10 1.87 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 161 R 7.49 3.89 0.00 1.90 1.85 0.00 3.32 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 162 L 7.74 4.39 0.00 1.89 1.84 1.04 1.03 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 0.00 163 T 7.78 4.17 4.48 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 1.22 0.00 0.00 164 K 9.10 4.15 0.00 1.77 1.74 0.00 1.63 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.