NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7905 8.2827 118.1367 52.1658 39.0494 174.3138 2 L 3.9351 8.2515 118.7713 57.7363 41.6327 177.4180 3 K 3.8446 8.8335 120.4566 59.5018 32.5119 178.2692 4 Q 4.0852 8.6501 118.8345 58.6862 28.5006 178.3041 5 F 4.4061 8.3361 121.8341 61.2038 39.3079 177.2424 6 K 3.6463 8.0032 118.0551 59.6550 31.8485 179.1108 7 N 4.4417 7.9772 116.2939 56.5250 38.4206 177.3927 8 M 4.1756 8.3478 120.3883 58.3701 32.1139 178.7178 9 I 3.6687 7.7615 120.3140 64.3357 37.1784 177.9436 10 Q 4.3628 7.6677 115.4047 57.5193 29.1762 176.9578 11 C 4.4126 8.1927 121.4175 59.9382 43.6448 174.9848 12 A 4.3524 7.5749 121.8614 52.7877 18.5499 176.4617 13 G 4.3141 7.8348 104.4582 44.1527 0.0000 172.6093 14 T 4.0379 8.3816 113.9994 65.7338 69.0174 175.6809 *17 R 4.0445 7.8382 117.2408 56.1958 31.3870 175.4125 18 T 4.5565 7.8363 111.6069 59.7574 71.0295 175.4933 19 W 4.5282 8.9661 117.8665 59.7386 28.1348 178.3983 20 T 3.2733 6.0826 108.3252 63.9720 68.0048 175.4425 21 S 3.9087 7.4913 115.7872 60.2273 62.5478 173.6274 22 Y 4.8718 7.8508 118.2560 57.5646 38.1740 176.4588 23 I 4.3363 7.9378 121.2783 62.6968 39.2004 177.2150 24 G 4.2453 7.7644 107.4482 44.2773 0.0000 170.5617 25 Y 4.5016 7.9261 119.7150 56.6729 42.3181 176.5300 26 G 3.7648 7.4384 114.6324 46.9767 0.0000 172.2939 27 C 4.4906 9.4102 114.5875 57.8255 39.1175 174.4605 28 Y 4.6262 8.8799 115.6732 57.3750 38.3519 174.7543 29 C 4.7287 8.3114 119.2608 57.8835 41.4843 172.6204 30 G 4.0764 8.9163 109.2735 44.4114 0.0000 172.0711 31 Y 4.1221 8.7926 122.5676 58.6943 40.4923 178.1544 32 G 3.4707 7.6378 113.8954 46.6182 0.0000 172.7637 33 G 4.1558 7.8922 110.7728 44.2071 0.0000 171.7784 34 S 4.5481 6.7607 113.7803 57.8100 66.0537 174.7177 35 G 3.8157 8.7801 107.0737 44.9099 0.0000 171.8621 36 T 4.4407 8.1328 115.5707 61.0132 69.2974 172.8821 37 P 4.6675 0.0000 0.0000 63.0409 31.6874 177.8392 38 V 3.7837 8.8069 117.3425 64.1675 31.9427 175.1021 39 D 4.5967 7.5454 114.2098 51.2954 42.1960 174.9784 40 E 3.9152 9.0912 118.5043 59.8107 29.3359 178.6490 41 L 4.0016 7.9877 119.4848 58.4452 42.0906 178.2731 42 D 4.5961 9.1528 118.2051 57.5971 41.1140 178.4789 43 R 3.9755 8.5113 119.0602 59.0631 29.9784 178.2935 44 C 4.3791 8.3719 116.6097 60.4514 41.1022 175.5692 45 C 4.5057 8.5202 118.0672 60.0753 35.6644 175.4354 46 Y 3.8646 8.3662 121.4807 61.0685 38.3160 178.5264 47 T 3.7769 8.1795 116.5393 66.7687 68.4693 176.1363 48 H 3.8831 8.1551 120.1591 59.3237 29.8139 176.9021 49 D 4.1734 8.0191 120.5119 57.8233 40.7609 178.6749 50 H 4.1338 7.6455 116.6889 58.6550 28.6117 177.0962 51 C 4.3200 8.1384 120.4236 59.9439 41.7510 175.1978 52 Y 4.1192 8.1620 118.5483 61.2615 37.2897 178.2148 53 N 4.1616 8.1235 115.9809 55.8294 39.3272 176.4289 54 K 4.1788 8.0492 119.1677 58.6596 32.5023 178.7684 55 A 3.7776 8.1545 121.0302 54.7832 17.9763 179.4362 56 A 4.1504 7.2944 118.5070 55.0780 18.4285 178.2853 57 N 4.5218 7.6352 111.8204 53.9102 38.4009 174.6444 58 I 4.3541 7.0095 119.5061 58.3584 39.1461 173.9856 59 P 4.1781 0.0000 0.0000 64.2598 31.7356 176.2672 60 G 3.9362 8.5104 109.4889 46.9241 0.0000 174.0944 61 C 4.6835 8.1129 117.9237 54.3297 46.4749 172.2537 62 N 4.8817 8.4172 126.5553 50.7425 39.9948 172.8487 63 P 3.8569 0.0000 0.0000 65.5497 31.4395 177.4834 64 L 4.2751 8.1017 118.4720 55.7555 41.9252 177.9768 65 I 4.3172 7.5309 109.0439 60.1685 39.2844 175.5598 66 K 3.9670 7.9490 123.5726 56.6236 32.1966 175.9020 67 T 4.2635 8.3717 123.7643 62.4782 69.4004 173.6106 68 Y 4.8885 8.0013 124.4142 55.1925 40.9805 174.3913 69 S 5.1143 9.4980 116.2687 57.2561 64.6456 173.5489 70 Y 5.3729 8.4393 121.3151 56.3330 40.8940 173.6824 71 T 4.4129 9.0548 114.4395 60.2924 71.3628 171.5819 72 C 5.3467 8.6695 126.4776 55.2439 44.2366 174.1966 73 T 4.4109 8.7036 124.2856 61.0863 67.9923 171.4334 74 K 4.3514 7.5636 121.6159 55.4216 32.6482 173.5193 75 P 5.5599 0.0000 0.0000 62.0047 31.8978 174.2125 76 N 4.8188 8.7178 118.0379 52.9573 39.3452 173.8905 77 I 5.0587 8.2645 123.7248 59.9590 39.5376 175.1465 78 T 4.6413 8.9138 122.7430 61.9617 71.9424 172.2403 79 C 4.8834 8.8501 124.2164 56.2908 40.5926 173.5296 80 N 4.4230 9.1124 122.2521 55.2943 39.1028 176.1761 81 D 4.5706 8.1638 118.1803 54.8003 41.6849 175.0031 82 T 4.4672 8.3658 117.7802 65.6105 71.1292 175.8378 83 S 4.1681 8.2203 115.1765 61.6997 63.1009 175.8591 84 D 4.5794 7.8546 123.1392 53.5692 39.4925 176.0352 85 S 4.1450 8.4580 122.2314 61.4454 63.0963 176.5717 86 C 4.2247 8.2462 120.1011 59.6031 44.5077 175.1515 87 A 4.0765 8.6776 122.6663 55.3139 18.1221 179.5022 88 R 3.7562 8.3592 117.4787 59.5107 30.1819 178.4364 89 F 3.9798 8.5406 120.7270 61.3639 39.3726 176.9776 90 I 3.6260 7.9401 118.2993 64.1137 37.7296 176.9616 91 C 2.9097 7.9690 119.4950 59.0572 41.1882 175.1394 92 D 4.0272 7.6374 119.3620 57.3339 40.8224 177.1589 93 C 3.8512 7.5871 116.9395 60.4393 38.8350 176.0427 94 D 3.8325 8.0374 119.9880 57.1875 40.3162 179.0204 95 R 3.7933 8.1186 119.5308 59.6284 30.0396 178.6126 96 T 3.7133 8.1051 115.7239 66.4824 68.4483 176.3834 97 A 3.4805 7.8028 122.1498 54.9202 18.5263 179.1669 98 A 3.6421 8.0337 119.5607 55.6710 18.3765 180.0421 99 I 3.6893 7.8579 118.1416 64.4626 37.1381 177.8416 100 C 4.2603 8.2438 119.5617 59.7081 43.2302 175.6641 101 F 4.3302 8.3003 118.3927 60.5414 38.5117 177.1600 102 A 4.2425 7.7580 118.8245 55.4797 18.3387 179.6069 103 S 4.2580 8.0215 111.6762 59.8168 63.4239 174.9320 104 A 4.7248 7.6711 124.0127 49.8938 19.1401 175.5228 105 P 4.4112 0.0000 0.0000 62.8860 32.0753 176.0066 106 Y 4.1844 8.2884 121.7403 55.9803 38.3595 174.7105 107 N 4.7040 8.7388 125.5864 51.8736 38.0075 176.5258 108 I 4.0659 8.4115 118.5168 63.5379 37.7961 178.1786 109 N 4.3966 8.1283 117.3590 55.4734 38.6576 175.1969 110 N 4.5685 8.3921 115.3766 52.7028 38.7580 174.2395 111 I 3.9315 7.0716 119.4004 61.6978 38.4801 175.7177 112 M 3.1227 8.0466 123.6912 56.3647 29.1160 176.7406 113 I 4.5664 7.0230 108.7707 59.7443 39.8246 178.1519 114 S 4.0779 8.2062 115.4892 60.6169 62.7804 174.6546 115 A 4.4404 7.7569 121.8491 52.0319 19.8852 176.6937 116 S 4.5121 7.9672 111.9814 56.9261 64.7897 175.0408 117 T 3.8085 8.3970 114.0037 65.2086 67.1794 175.8157 118 S 4.1042 7.7766 116.8953 61.4785 62.7937 174.5884 119 C 4.5611 7.7544 114.0078 56.0376 40.6175 173.8565 120 Q 3.9868 7.7103 124.3441 56.3616 28.7366 173.1953 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 8.28 4.79 0.00 3.08 3.11 0.00 0.00 5.74 5.79 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 2 L 8.25 3.94 0.00 1.84 1.72 1.20 0.39 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 3 K 8.83 3.84 0.00 1.76 1.87 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.43 7.81 4 Q 8.65 4.09 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 5 F 8.34 4.41 0.00 3.34 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 6 K 8.00 3.65 0.00 1.76 1.49 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.38 1.17 7.81 7 N 7.98 4.44 0.00 3.08 3.03 0.00 0.00 7.09 9.01 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 8 M 8.35 4.18 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.48 0.00 9 I 7.76 3.67 2.08 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 1.16 0.00 0.00 10 Q 7.67 4.36 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.97 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 11 C 8.19 4.41 0.00 3.24 3.40 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 0.00 12 A 7.57 4.35 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 13 G 7.83 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 0.00 0.00 0.00 0.00 14 T 8.38 4.04 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 1.19 0.00 0.00 *17 R 7.84 4.04 0.00 1.78 1.53 0.00 2.82 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.49 0.00 18 T 7.84 4.56 4.33 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 1.28 0.00 0.00 19 W 8.97 4.53 0.00 3.65 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 20 T 6.08 3.27 3.72 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 -0.09 0.00 0.00 21 S 7.49 3.91 0.00 3.39 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 22 Y 7.85 4.87 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.94 4.34 1.95 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.72 0.99 0.00 0.00 24 G 7.76 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.93 4.50 0.00 2.94 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 26 G 7.44 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 27 C 9.41 4.49 0.00 3.10 3.05 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 28 Y 8.88 4.63 0.00 3.30 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 29 C 8.31 4.73 0.00 3.27 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 30 G 8.92 4.08 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 0.00 0.00 0.00 31 Y 8.79 4.12 0.00 3.02 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 32 G 7.64 3.47 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 0.00 33 G 7.89 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 0.00 0.00 0.00 0.00 34 S 6.76 4.55 0.00 3.95 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 35 G 8.78 3.82 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 0.00 0.00 0.00 36 T 8.13 4.44 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 1.16 0.00 0.00 37 P 0.00 4.67 0.00 2.03 2.12 0.00 3.27 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.49 0.00 38 V 8.81 3.78 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 0.70 0.00 0.00 0.96 0.00 0.00 39 D 7.55 4.60 0.00 2.94 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 40 E 9.09 3.92 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 41 L 7.99 4.00 0.00 1.86 1.77 0.66 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.15 4.60 0.00 3.17 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 43 R 8.51 3.98 0.00 2.11 1.99 0.00 3.17 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 44 C 8.37 4.38 0.00 3.58 3.46 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 45 C 8.52 4.51 0.00 3.39 3.46 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 46 Y 8.37 3.86 0.00 2.72 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 47 T 8.18 3.78 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 1.16 0.00 0.00 48 H 8.16 3.88 0.00 3.12 3.33 0.00 5.60 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 49 D 8.02 4.17 0.00 2.93 2.54 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 0.00 0.00 0.00 0.00 50 H 7.65 4.13 0.00 3.08 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.14 4.32 0.00 3.06 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 52 Y 8.16 4.12 0.00 2.99 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 53 N 8.12 4.16 0.00 2.74 3.06 0.00 0.00 7.31 6.84 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 54 K 8.05 4.18 0.00 2.29 1.87 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.77 7.81 55 A 8.15 3.78 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 56 A 7.29 4.15 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 57 N 7.64 4.52 0.00 2.77 2.76 0.00 0.00 6.88 7.52 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 58 I 7.01 4.35 1.84 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.18 0.81 0.00 0.00 59 P 0.00 4.18 0.00 2.00 1.97 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 60 G 8.51 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 61 C 8.11 4.68 0.00 3.06 3.12 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 0.00 62 N 8.42 4.88 0.00 2.68 2.60 0.00 0.00 6.87 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 3.86 0.00 0.69 1.48 0.00 3.71 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 64 L 8.10 4.28 0.00 1.76 1.79 1.02 0.82 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 65 I 7.53 4.32 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.90 0.00 0.00 66 K 7.95 3.97 0.00 1.96 1.77 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.57 7.81 67 T 8.37 4.26 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 1.15 0.00 0.00 68 Y 8.00 4.89 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.50 5.11 0.00 3.97 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 70 Y 8.44 5.37 0.00 3.14 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 71 T 9.05 4.41 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 1.22 0.00 0.00 72 C 8.67 5.35 0.00 3.14 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 73 T 8.70 4.41 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 1.22 0.00 0.00 74 K 7.56 4.35 0.00 1.75 1.74 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.73 7.81 75 P 0.00 5.56 0.00 2.27 2.25 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 76 N 8.72 4.82 0.00 2.84 2.80 0.00 0.00 6.91 7.88 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 77 I 8.26 5.06 1.90 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 1.48 0.63 1.01 0.00 0.00 78 T 8.91 4.64 4.28 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 1.23 0.00 0.00 79 C 8.85 4.88 0.00 2.79 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 N 9.11 4.42 0.00 2.75 2.90 0.00 0.00 7.11 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 81 D 8.16 4.57 0.00 2.69 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 82 T 8.37 4.47 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 1.22 0.00 0.00 83 S 8.22 4.17 0.00 3.87 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 84 D 7.85 4.58 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.46 4.14 0.00 3.89 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 86 C 8.25 4.22 0.00 2.97 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 87 A 8.68 4.08 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 3.76 0.00 2.04 2.19 0.00 3.10 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 89 F 8.54 3.98 0.00 3.20 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 90 I 7.94 3.63 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.28 1.17 0.00 0.00 91 C 7.97 2.91 0.00 2.15 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 92 D 7.64 4.03 0.00 2.80 2.46 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 93 C 7.59 3.85 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 94 D 8.04 3.83 0.00 2.69 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 95 R 8.12 3.79 0.00 1.78 1.94 0.00 3.05 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 96 T 8.11 3.71 4.28 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 1.11 0.00 0.00 97 A 7.80 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.03 3.64 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 99 I 7.86 3.69 1.81 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 1.39 0.63 0.90 0.00 0.00 100 C 8.24 4.26 0.00 3.11 3.13 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 0.00 101 F 8.30 4.33 0.00 2.89 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 0.00 102 A 7.76 4.24 1.45 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 0.00 103 S 8.02 4.26 0.00 3.91 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 0.00 104 A 7.67 4.72 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 0.00 105 P 0.00 4.41 0.00 2.25 2.12 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 106 Y 8.29 4.18 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 0.00 107 N 8.74 4.70 0.00 2.87 3.04 0.00 0.00 6.58 7.33 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 0.00 108 I 8.41 4.07 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 1.11 0.00 0.00 109 N 8.13 4.40 0.00 2.67 2.89 0.00 0.00 6.85 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 0.00 110 N 8.39 4.57 0.00 2.28 2.19 0.00 0.00 6.81 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 0.00 111 I 7.07 3.93 1.83 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.53 1.00 0.00 0.00 112 M 8.05 3.12 0.00 2.06 2.04 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 2.51 2.43 0.00 113 I 7.02 4.57 1.79 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 1.40 1.21 0.79 0.00 0.00 114 S 8.21 4.08 0.00 3.95 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 0.00 115 A 7.76 4.44 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 0.00 116 S 7.97 4.51 0.00 3.96 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 0.00 117 T 8.40 3.81 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 1.19 0.00 0.00 118 S 7.78 4.10 0.00 3.81 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 0.00 119 C 7.75 4.56 0.00 3.01 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 0.00 120 Q 7.71 3.99 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.