NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3445 8.1693 120.6322 54.9961 43.1425 176.1565 6 T 4.5701 8.0104 112.8352 58.0653 73.3335 172.7771 7 L 4.0685 9.3799 122.7388 58.6671 42.3455 179.5239 8 N 4.3339 8.2505 115.6349 56.4995 38.2894 177.3273 9 V 3.6344 7.3765 118.2923 66.1002 31.7149 177.7730 10 L 4.3071 8.0087 117.5909 57.9855 41.5377 179.2170 11 Q 4.4131 8.1672 117.2774 58.4711 29.6429 177.5486 12 T 4.2933 7.6387 117.9855 62.4826 67.2211 172.7120 *14 N 4.6217 7.6486 118.3402 52.2540 39.5141 175.1662 15 A 3.9979 8.7332 118.8620 55.7531 18.0320 179.4355 16 Q 3.9574 8.2086 117.1843 59.4771 29.1511 178.2326 17 E 3.9385 8.5090 119.4970 59.4278 29.5566 178.7184 18 Y 3.8535 8.0099 116.7187 61.3156 37.9500 178.8468 19 E 4.0431 8.2492 119.0677 59.4897 29.5932 179.1435 20 D 4.4035 8.4244 119.2309 57.4123 40.6224 178.9678 21 I 3.7078 7.5744 119.5093 64.2151 37.2624 178.0593 22 R 4.0181 7.9606 119.1351 59.5061 29.7247 178.5090 23 A 4.0031 8.3047 119.3423 54.7524 18.3906 179.1541 24 A 4.1331 7.6315 118.7861 53.2555 18.8293 177.0655 25 G 4.2910 7.1322 103.2512 42.9832 0.0000 174.5874 26 S 4.0806 8.5650 114.1141 61.4873 62.2818 175.8218 27 D 4.3324 7.9867 120.9887 57.4067 40.7030 178.4133 28 E 3.9576 8.0998 118.5983 59.4240 29.4622 179.2633 29 R 3.9023 8.1165 118.7303 59.4000 30.0829 178.5354 30 R 3.9899 8.1153 118.5697 59.4389 30.0589 178.3495 31 E 4.0160 8.1809 118.3807 59.2052 29.4517 179.0338 32 L 3.9817 7.8991 120.2528 58.5288 41.9763 179.0496 33 T 3.9479 8.0378 114.5795 67.2663 68.5118 176.0695 34 H 4.5517 8.4882 116.8260 58.7409 28.7470 177.4765 35 A 4.2862 8.1317 122.2027 54.8716 18.4846 179.9020 36 V 3.6765 7.7420 112.9979 64.2258 31.0061 177.5219 *38 R 4.3113 7.9018 118.4989 55.7974 31.4881 175.7919 39 E 4.4229 8.1339 114.7304 56.4326 29.9383 175.8548 40 L 4.8564 7.7227 118.2231 52.7781 44.7211 175.2428 41 D 4.8873 8.3351 120.5014 52.2657 42.9950 176.2680 42 A 4.2668 8.5968 127.4935 50.9548 19.5248 175.3627 43 P 4.2170 0.0000 0.0000 62.0883 31.9991 175.7881 44 D 4.5584 8.3926 120.1745 56.3239 40.8983 176.4908 45 N 4.4201 9.1466 118.5885 53.8015 36.1419 173.5054 46 W 4.9289 8.2018 117.3810 55.2110 32.5244 176.1914 47 T 4.7086 8.3672 112.5014 60.8402 71.8096 172.2863 *49 N 4.7375 8.6569 118.0812 53.9601 40.3694 174.9385 50 G 4.1690 8.3789 112.7395 44.5425 0.0000 172.7152 51 E 3.5794 8.8711 124.1074 56.0565 30.0356 177.0608 52 Y 4.6924 8.6928 124.7494 58.7188 40.7315 176.7676 53 G 4.0370 8.6867 103.7934 45.7368 0.0000 173.4661 54 S 4.7381 8.9370 117.7606 57.4436 63.7080 175.7710 55 E 3.8999 8.1501 120.2938 59.0935 29.3608 177.4726 56 F 5.0778 8.1536 116.6195 57.4262 39.1438 175.7504 57 G 3.6381 8.4948 112.6901 44.1438 0.0000 176.2090 58 G 4.1154 8.9412 106.7040 46.7576 0.0000 175.5271 59 F 4.1455 7.1033 119.5471 59.0941 38.9682 175.8007 60 F 4.9860 7.1627 115.2919 54.6671 41.6065 173.2130 61 P 4.4112 0.0000 0.0000 65.1862 31.4896 176.7537 62 V 4.5636 8.1326 117.4482 60.9730 34.6939 174.3866 63 Q 4.9684 8.7020 127.6176 54.6227 32.5764 173.2282 64 V 4.7287 8.9644 126.8671 61.2042 34.0475 174.3559 65 R 4.9163 8.8645 127.3495 54.7186 32.0406 175.8465 66 F 5.3004 9.3889 121.2728 56.1843 42.5903 174.3460 67 T 4.4419 8.9589 120.0484 60.7118 72.3225 172.3605 68 P 3.2603 0.0000 0.0000 61.5947 31.9252 177.2070 69 A 3.8775 7.5750 122.7851 55.4230 18.0938 179.0284 70 H 4.2621 7.6892 110.3552 56.3973 29.0154 175.9690 71 E 4.1584 7.4291 118.2572 57.3480 27.4738 175.9208 72 R 4.1353 7.5799 120.0616 58.7156 30.3503 176.0194 73 F 5.3973 7.0814 110.7398 56.6057 40.7308 172.3483 74 H 4.9576 9.2649 114.0667 54.4906 32.4125 172.0972 75 L 5.4652 9.2580 118.0944 53.0907 45.3638 175.6760 76 A 5.2053 8.8790 121.9884 50.3559 22.6525 174.7554 77 L 4.9643 9.4784 125.6298 54.1723 44.0220 174.9746 78 C 5.0771 8.9856 124.4547 57.6813 30.8679 174.1458 79 S 2.7900 8.3735 118.7741 56.2657 63.6745 172.2768 80 P 4.2394 0.0000 0.0000 62.3205 30.2585 177.7122 81 G 4.0284 8.0942 107.3371 46.5744 0.0000 173.8860 82 D 4.5916 9.0497 120.4190 57.4399 41.1912 178.1834 83 V 3.7814 7.7869 117.6461 64.9097 32.0090 176.0433 84 S 4.7077 7.6154 112.0151 56.4134 65.0501 174.4750 85 Q 4.1081 8.7835 125.4558 57.7226 28.9410 176.1054 86 V 4.6638 7.1637 109.6538 58.6561 35.7130 175.6540 87 W 4.3541 9.1754 123.1771 57.0851 30.1668 175.7769 88 V 4.8716 8.7055 117.0622 59.4390 35.0293 174.2079 89 L 5.0317 9.2269 127.5301 53.6960 43.7897 175.5141 90 V 4.7453 8.7224 119.6817 59.3957 35.4450 174.3606 91 L 5.1409 8.4845 125.2846 53.2697 44.7958 175.1716 92 V 4.6527 8.8771 126.5324 60.9843 33.9247 174.3670 93 N 5.0205 9.0357 127.2131 52.8124 40.3395 174.1005 94 A 4.0691 8.4587 126.5588 54.3316 18.7447 178.5999 95 G 3.8541 8.9305 109.9509 45.0432 0.0000 174.5187 96 G 3.9809 9.7707 107.4915 45.2861 0.0000 173.3274 97 E 4.7108 7.5700 118.8133 53.8931 32.8009 172.8157 98 P 4.6851 0.0000 0.0000 63.0477 32.9880 174.6818 99 F 5.4514 8.4642 121.3318 57.0588 42.6910 173.2019 100 A 4.1692 7.3606 123.8521 50.5672 23.1148 175.6565 101 V 3.9760 8.0431 120.7977 62.9575 31.4318 176.1736 102 V 4.1413 8.6561 122.0153 62.2515 32.9061 176.2233 103 Q 4.6118 7.6400 120.3507 54.7914 32.4172 172.9556 104 V 4.9838 8.3919 124.7266 61.2497 34.7482 174.4986 105 Q 4.5406 9.2501 125.8063 54.1165 31.8174 176.2984 106 R 3.9664 9.1705 124.7496 58.6377 30.5067 176.7812 107 R 4.8271 7.6685 114.4640 53.6061 33.3350 174.4913 108 F 3.6262 9.2856 123.4046 58.9167 39.5024 174.8434 109 A 4.2242 8.6700 132.7801 49.4985 18.9600 176.4351 110 S 3.2221 7.3623 116.8000 61.6559 63.0377 176.3021 111 E 3.8010 7.7772 122.5796 58.5441 29.4738 178.2578 112 A 3.8722 7.7551 120.3789 55.0369 18.4148 179.5810 113 V 3.3926 7.4445 116.2848 66.3799 31.6422 178.4287 114 S 3.9272 7.9153 114.7363 61.8691 62.5935 176.6092 115 H 4.0170 8.2905 118.9168 58.8490 28.3892 177.9684 116 S 4.0601 8.0395 116.9592 61.4750 62.5193 176.8162 117 L 3.6341 7.7816 121.3686 57.6325 41.2639 179.4111 118 A 3.6641 7.7860 120.7065 54.8739 18.1713 179.5002 119 L 3.7890 7.8975 118.6825 57.9865 42.1239 178.9450 120 A 3.9802 8.0778 120.6911 55.2604 18.3776 179.3852 121 A 4.2496 7.8926 119.5338 55.3600 18.3190 179.8538 122 S 4.0194 8.2109 111.5734 61.6380 62.5820 176.3463 123 L 4.1680 8.3066 122.1245 57.9530 41.2037 179.0696 124 D 4.5650 8.6000 118.0588 57.7902 41.0009 178.4967 125 T 4.0425 7.9652 115.4676 66.5987 68.6036 176.1118 126 Q 4.3281 8.2138 117.2930 56.5457 28.8378 176.8982 127 G 3.9120 7.6768 108.7409 45.5477 0.0000 173.4356 128 Y 4.1674 7.7969 116.9688 57.1363 38.5744 176.6597 129 S 4.4317 8.4654 118.2977 57.9344 65.4507 175.6104 130 V 3.2845 8.1727 121.7793 66.1246 31.2683 177.6584 131 N 4.2481 8.1844 115.7056 56.7553 38.3393 176.9192 132 D 4.4015 7.8946 120.0533 57.2784 40.8621 178.9046 133 I 3.5649 8.0397 120.6754 64.3037 36.8770 178.2099 134 I 3.5712 7.8140 119.6382 64.9002 37.0772 177.4935 135 H 4.2815 7.9539 117.1990 59.3342 29.8577 177.1226 136 I 3.7979 7.8856 121.5965 64.0829 36.8651 180.1658 137 L 4.2330 8.0846 120.2932 54.4281 41.3303 179.3223 *139 A 4.2607 8.0110 123.0152 52.2770 20.5515 179.6115 140 E 3.9130 8.4496 115.7475 59.3517 29.6495 178.0036 141 G 3.6581 8.8747 105.6406 45.8159 0.0000 174.3406 142 G 3.8693 7.7341 106.5799 45.5353 0.0000 174.0144 143 Q 4.1299 7.7786 123.3191 55.9763 28.8534 175.7687 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 5 L 8.17 4.34 0.00 1.66 1.73 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.01 4.57 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 1.24 0.00 0.00 7 L 9.38 4.07 0.00 1.98 1.75 0.90 0.50 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 8 N 8.25 4.33 0.00 2.80 2.90 0.00 0.00 6.71 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 9 V 7.38 3.63 2.32 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 0.83 0.00 0.00 0.96 0.00 0.00 10 L 8.01 4.31 0.00 2.13 2.07 1.12 0.95 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 11 Q 8.17 4.41 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.63 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 12 T 7.64 4.29 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 1.25 0.00 0.00 *14 N 7.65 4.62 0.00 3.04 3.10 0.00 0.00 5.96 7.96 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 15 A 8.73 4.00 1.39 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 0.00 0.00 0.00 16 Q 8.21 3.96 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 17 E 8.51 3.94 0.00 2.20 1.88 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 2.34 2.49 0.00 18 Y 8.01 3.85 0.00 3.18 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.25 4.04 0.00 2.20 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 2.49 2.70 0.00 20 D 8.42 4.40 0.00 2.79 2.71 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 0.00 0.00 0.00 0.00 21 I 7.57 3.71 1.81 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 1.36 0.52 0.89 0.00 0.00 22 R 7.96 4.02 0.00 1.94 2.09 0.00 3.09 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 23 A 8.30 4.00 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 24 A 7.63 4.13 1.39 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 0.00 0.00 0.00 25 G 7.13 4.29 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 0.00 26 S 8.56 4.08 0.00 3.89 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 27 D 7.99 4.33 0.00 2.72 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 28 E 8.10 3.96 0.00 2.21 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 2.39 2.42 0.00 29 R 8.12 3.90 0.00 2.01 2.08 0.00 3.11 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 30 R 8.12 3.99 0.00 2.02 2.04 0.00 2.93 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 31 E 8.18 4.02 0.00 2.21 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 2.55 2.47 0.00 32 L 7.90 3.98 0.00 1.79 1.91 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.04 3.95 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 1.17 0.00 0.00 34 H 8.49 4.55 0.00 3.35 3.41 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.13 4.29 1.43 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 0.00 0.00 36 V 7.74 3.68 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.08 0.00 0.00 *38 R 7.90 4.31 0.00 2.09 2.07 0.00 3.33 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 39 E 8.13 4.42 0.00 2.42 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 2.67 2.64 0.00 40 L 7.72 4.86 0.00 1.81 1.69 1.30 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.34 4.89 0.00 2.56 2.51 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 42 A 8.60 4.27 1.44 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 0.00 0.00 43 P 0.00 4.22 0.00 1.07 1.39 0.00 3.39 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.50 0.00 44 D 8.39 4.56 0.00 2.68 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 45 N 9.15 4.42 0.00 3.09 3.00 0.00 0.00 6.95 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 46 W 8.20 4.93 0.00 3.44 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 47 T 8.37 4.71 4.29 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 1.24 0.00 0.00 *49 N 8.66 4.74 0.00 2.92 2.91 0.00 0.00 6.75 7.93 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 50 G 8.38 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.87 3.58 0.00 2.08 1.77 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 2.19 1.95 0.00 52 Y 8.69 4.69 0.00 2.95 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 53 G 8.69 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.94 4.74 0.00 3.83 3.92 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 55 E 8.15 3.90 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.87 0.00 56 F 8.15 5.08 0.00 3.17 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 57 G 8.49 3.64 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 0.00 0.00 0.00 58 G 8.94 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 0.00 0.00 0.00 0.00 59 F 7.10 4.15 0.00 1.70 2.13 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 60 F 7.16 4.99 0.00 3.12 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 61 P 0.00 4.41 0.00 2.15 2.42 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 62 V 8.13 4.56 2.13 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 1.15 0.00 0.00 1.10 0.00 0.00 63 Q 8.70 4.97 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 64 V 8.96 4.73 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 0.33 0.00 0.00 0.99 0.00 0.00 65 R 8.86 4.92 0.00 1.28 1.53 0.00 2.21 0.00 0.00 2.56 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.00 66 F 9.39 5.30 0.00 3.32 3.36 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 67 T 8.96 4.44 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 0.92 0.00 0.00 68 P 0.00 3.26 0.00 1.08 0.72 0.00 2.77 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.44 0.00 69 A 7.57 3.88 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 70 H 7.69 4.26 0.00 3.32 3.54 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.43 4.16 0.00 2.08 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 2.09 2.36 0.00 72 R 7.58 4.14 0.00 1.95 2.13 0.00 3.19 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 73 F 7.08 5.40 0.00 3.12 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 74 H 9.26 4.96 0.00 3.29 3.25 0.00 5.21 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 9.26 5.47 0.00 2.01 1.83 1.42 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.88 5.21 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 77 L 9.48 4.96 0.00 2.14 1.88 1.15 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 78 C 8.99 5.08 0.00 1.99 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 79 S 8.37 2.79 0.00 2.72 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 80 P 0.00 4.24 0.00 1.51 1.96 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.57 0.00 81 G 8.09 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 0.00 0.00 0.00 82 D 9.05 4.59 0.00 2.64 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 83 V 7.79 3.78 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 0.78 0.00 0.00 0.88 0.00 0.00 84 S 7.62 4.71 0.00 3.94 3.69 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 85 Q 8.78 4.11 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 86 V 7.16 4.66 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 0.72 0.00 0.00 0.95 0.00 0.00 87 W 9.18 4.35 0.00 3.42 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 88 V 8.71 4.87 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 0.73 0.00 0.00 0.78 0.00 0.00 89 L 9.23 5.03 0.00 1.75 1.53 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.72 4.75 1.81 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 0.73 0.00 0.00 1.11 0.00 0.00 91 L 8.48 5.14 0.00 1.61 1.36 0.78 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.88 4.65 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 1.09 0.00 0.00 1.14 0.00 0.00 93 N 9.04 5.02 0.00 3.04 2.80 0.00 0.00 6.63 7.92 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 94 A 8.46 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.93 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 0.00 0.00 0.00 96 G 9.77 3.98 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 0.00 0.00 0.00 97 E 7.57 4.71 0.00 1.92 1.81 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 2.24 2.26 0.00 98 P 0.00 4.69 0.00 2.16 2.27 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 99 F 8.46 5.45 0.00 3.11 2.89 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 0.00 100 A 7.36 4.17 1.06 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 0.00 101 V 8.04 3.98 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 0.78 0.00 0.00 0.94 0.00 0.00 102 V 8.66 4.14 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 0.58 0.00 0.00 0.91 0.00 0.00 103 Q 7.64 4.61 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 104 V 8.39 4.98 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 0.92 0.00 0.00 0.95 0.00 0.00 105 Q 9.25 4.54 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 106 R 9.17 3.97 0.00 1.80 2.02 0.00 3.28 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 107 R 7.67 4.83 0.00 1.86 1.86 0.00 3.35 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.68 0.00 108 F 9.29 3.63 0.00 2.63 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 0.00 109 A 8.67 4.22 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 0.00 110 S 7.36 3.22 0.00 4.00 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 0.00 111 E 7.78 3.80 0.00 1.97 1.87 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 2.33 2.45 0.00 112 A 7.76 3.87 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.44 3.39 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 0.92 0.00 0.00 0.92 0.00 0.00 114 S 7.92 3.93 0.00 3.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.29 4.02 0.00 3.34 3.26 0.00 5.82 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 0.00 116 S 8.04 4.06 0.00 3.89 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 0.00 117 L 7.78 3.63 0.00 1.46 1.14 -0.53 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.79 3.66 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 0.00 119 L 7.90 3.79 0.00 1.77 1.74 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.08 3.98 1.48 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 0.00 0.00 0.00 121 A 7.89 4.25 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.21 4.02 0.00 3.97 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 0.00 123 L 8.31 4.17 0.00 1.87 1.72 0.74 0.25 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 0.00 124 D 8.60 4.56 0.00 3.31 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 0.00 125 T 7.97 4.04 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 1.28 0.00 0.00 126 Q 8.21 4.33 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.95 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 127 G 7.68 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 0.00 0.00 0.00 128 Y 7.80 4.17 0.00 3.14 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 0.00 129 S 8.47 4.43 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.17 3.28 2.00 0.00 0.00 0.00 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 0.65 0.00 0.00 131 N 8.18 4.25 0.00 2.76 2.86 0.00 0.00 7.13 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 0.00 132 D 7.89 4.40 0.00 2.93 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 0.00 133 I 8.04 3.56 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.79 0.79 0.00 0.00 134 I 7.81 3.57 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.45 0.85 0.00 0.00 135 H 7.95 4.28 0.00 3.18 3.44 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.89 3.80 1.75 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.50 0.75 0.00 0.00 137 L 8.08 4.23 0.00 1.58 1.61 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *139 A 8.01 4.26 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 0.00 140 E 8.45 3.91 0.00 1.84 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 2.25 2.33 0.00 141 G 8.87 3.66 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 0.00 0.00 0.00 142 G 7.73 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.78 4.13 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.