NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 K 4.2521 8.1727 122.0550 56.3271 34.0551 173.8603 2 V 4.5536 8.2812 127.7224 61.1145 32.1435 174.6838 3 F 4.4639 9.6289 128.1183 57.2366 40.3584 175.2936 4 G 3.9241 8.8365 108.3335 45.4818 0.0000 174.9796 5 R 3.4065 8.6777 121.1416 59.6731 30.1785 179.8144 6 C 4.3678 8.0801 115.5474 59.5718 35.1087 175.5694 7 E 3.9151 8.0644 120.7204 59.2683 29.2738 178.5103 8 L 3.5006 8.0756 120.2625 57.7677 41.9660 178.5588 9 A 3.9115 7.8647 120.5806 55.3012 18.3044 179.5347 10 A 3.8851 8.0926 118.8993 55.2098 18.4945 179.7695 11 A 3.9501 7.9450 119.1450 55.3764 18.4435 179.8474 12 M 3.8552 8.2489 117.7557 58.1401 31.9220 178.8394 13 K 3.8266 8.1860 120.0042 59.6116 32.2197 178.6670 14 R 3.8694 7.7727 117.4940 59.6539 29.9102 177.1195 15 H 4.6264 7.6683 113.0721 55.1954 28.7285 175.4777 16 G 3.8317 8.0633 108.9340 46.6259 0.0000 175.2475 17 L 3.7507 7.6170 121.5996 55.5342 42.0867 176.4798 18 D 4.5341 7.9640 118.1164 55.5209 41.3381 175.0883 19 N 4.3846 9.3496 123.1417 54.1680 36.9362 173.2613 20 Y 3.8760 8.3881 121.1940 58.5770 38.9468 175.8756 21 R 3.3635 9.0637 126.5408 57.2616 28.4990 176.7229 22 G 3.7462 8.3690 103.5110 44.7613 0.0000 173.5336 23 Y 4.4557 7.9427 118.8645 55.8203 38.9853 175.8759 24 S 4.8711 8.4897 119.1700 57.1949 64.1894 174.7933 25 L 4.3210 8.8348 122.5050 58.6176 41.4941 179.4761 26 G 3.8932 8.3177 105.0655 47.9436 0.0000 175.1687 27 N 4.4998 8.2292 118.2828 56.0932 38.5706 177.5965 28 W 3.8345 7.8927 119.7964 59.4884 29.1448 178.7390 29 V 3.5717 8.0254 118.2905 66.0160 31.0195 177.1578 30 C 2.4670 8.1066 118.2259 59.0140 44.5434 175.2414 31 A 3.8845 7.9920 122.1541 55.2722 17.8681 179.3707 32 A 4.0641 7.6701 120.3785 54.4316 18.4283 179.5402 33 K 2.4800 7.5849 118.0356 59.3342 31.8621 178.7547 34 F 4.5553 7.1392 115.0847 59.1114 39.0680 177.4698 35 E 4.3449 8.0382 118.4460 58.2178 29.9021 177.3289 36 S 4.5455 7.9086 109.8856 56.5480 64.4115 173.6196 37 N 4.0434 8.3965 118.3428 54.8454 37.5441 173.9785 38 F 4.1326 7.9849 110.9370 57.8712 36.6488 173.7446 39 N 5.4129 7.8843 120.4124 51.8542 39.5814 175.8158 40 T 4.0442 8.9379 117.4994 64.5276 68.9859 175.6133 41 Q 4.3296 8.2831 119.1048 55.6398 29.0636 175.5218 42 A 4.3944 7.8674 121.8712 52.2761 19.3981 177.2309 43 T 5.4707 8.1881 110.5065 59.2801 72.5102 173.2088 44 N 4.8988 8.1626 119.7528 51.9879 42.9249 173.6314 45 R 4.5790 8.6558 124.3751 55.9469 31.6029 174.9271 46 N 5.1158 8.9924 122.3109 51.3026 41.6888 176.0302 47 T 3.8638 8.5699 110.3481 64.9415 68.8619 175.0708 48 D 4.4210 8.0203 117.8908 53.2703 39.2596 176.7117 49 A 3.7209 7.9682 121.5419 52.5157 17.3540 178.4247 50 S 4.6527 8.0561 111.8522 58.0645 65.4723 173.2120 51 T 5.0193 8.8384 115.2614 62.0323 72.9768 172.9765 52 D 5.4385 9.1747 125.0336 53.2109 43.2387 175.0904 53 Y 4.9720 9.1364 120.7480 57.4431 41.7170 177.3606 54 G 4.6123 9.1479 112.7652 45.4925 0.0000 173.2917 55 I 3.9794 8.3571 116.4687 62.8909 37.8999 177.8360 56 L 4.6323 7.9444 116.4668 53.5015 42.3764 176.1579 57 Q 3.5198 7.9965 116.6781 57.0758 26.8815 174.5842 58 I 4.1140 7.9126 118.5970 61.2952 38.9872 176.8494 59 N 5.3409 9.1437 126.0483 53.4973 39.7545 175.7082 60 S 4.5169 9.1111 120.5628 60.7006 63.4187 175.4541 61 R 3.6024 8.6385 122.3493 58.2425 30.2742 178.2003 62 W 4.3734 7.6852 116.6611 56.4904 31.9157 177.0611 63 W 4.6659 8.0930 117.6795 57.7727 29.4781 173.5017 64 C 5.4475 7.8989 110.1217 53.7265 43.6840 172.2715 65 N 4.8547 8.9380 119.2413 52.0304 39.4407 174.5090 66 D 4.6596 8.6186 123.7257 52.3743 40.3178 176.7507 67 G 3.9648 8.4765 107.7733 46.3665 0.0000 174.7245 68 R 4.6072 8.3918 113.1749 55.9812 30.3913 174.5889 69 T 4.4296 7.7776 115.4798 61.3663 70.5144 171.7367 70 P 4.1617 0.0000 0.0000 63.7920 31.4850 176.3130 71 G 3.8194 8.7410 112.3855 46.2694 0.0000 173.5800 72 S 4.1817 7.4832 113.7874 58.1207 63.5397 174.2533 73 R 4.1024 8.4924 121.7146 55.8110 31.5465 175.9810 74 N 4.1411 8.0271 115.9618 54.5140 37.1348 175.0132 75 L 4.0813 8.4709 118.9649 58.0635 42.2894 178.4811 76 C 4.5500 8.5592 113.6659 56.9050 40.9853 172.9131 77 N 4.1965 8.0285 117.2207 53.5370 36.1947 173.6511 78 I 4.6541 7.9851 110.3832 58.5406 41.5518 173.1627 79 P 4.7308 0.0000 0.0000 62.4677 32.2980 178.0066 80 C 3.8990 8.7502 119.6914 60.1345 38.7628 176.7401 81 S 3.8823 7.9048 114.9535 61.2106 62.0173 176.2472 82 A 4.0709 8.1538 124.4359 54.6391 17.8612 178.7779 83 L 4.2977 7.7742 115.5666 56.0226 41.9887 177.4991 84 L 4.7837 7.5331 118.0068 54.5312 42.3687 176.8999 85 S 4.3321 7.3969 112.8676 58.1114 62.7780 174.3975 86 S 4.2390 8.5318 118.9824 60.3572 63.2202 173.6801 87 D 4.6897 7.8334 121.6935 53.2657 41.2558 176.2539 88 I 4.1390 8.3586 119.8669 61.6025 37.8473 177.3445 89 T 3.5610 8.3820 119.5987 67.0717 68.3473 176.0159 90 A 3.9437 7.8735 121.8509 55.3041 18.4302 179.7089 91 S 4.0739 7.9312 113.2002 61.6021 62.9627 176.9854 92 V 3.2839 7.9857 121.3305 66.0217 30.7662 177.8684 93 N 4.1880 8.1564 116.3654 56.3352 38.3032 176.6644 94 C 4.2849 8.1519 119.6536 59.5251 43.7783 175.3976 95 A 4.0710 8.1339 122.5097 55.1825 17.6790 179.7403 96 K 3.6711 7.6818 116.2486 59.4269 31.9083 179.4292 97 K 4.2047 7.5961 117.7550 59.2948 31.9729 179.5227 98 I 2.8795 7.4571 120.2988 64.0758 36.8407 178.9561 99 V 3.9470 8.2657 119.7064 64.3456 31.0941 177.6563 100 S 4.5720 7.8867 114.5444 59.5095 62.8687 174.9228 101 D 4.6544 7.8315 120.1258 54.9831 40.9103 175.4167 102 G 4.1250 7.4308 108.8396 46.8649 0.0000 174.8101 103 N 4.7880 8.4453 114.8771 51.7808 39.6869 175.7276 104 G 3.9538 7.8002 107.8544 46.0770 0.0000 175.5672 105 M 4.1511 7.6716 120.7445 56.1217 31.7418 177.6048 106 N 4.8875 7.8618 116.0441 55.0670 38.8342 176.1555 107 A 3.8197 7.4802 120.0081 53.8208 18.6954 177.8865 108 W 4.6411 8.2105 117.0013 55.1215 29.9130 177.1303 109 V 3.7264 8.5578 125.7049 65.0913 30.6073 178.0968 110 A 4.0291 8.3220 121.0269 54.2847 18.0962 179.5111 111 W 3.9376 8.1833 126.6514 60.6834 30.7423 177.8998 112 R 3.4400 8.0426 117.1856 59.5400 29.5909 177.7532 113 N 4.5037 8.1206 114.4941 54.7732 38.8359 176.0469 114 R 4.4116 7.9902 115.8292 55.3812 32.6484 175.1745 115 C 4.6964 7.7128 114.2951 57.8368 42.1685 174.1745 116 K 3.2178 7.2451 120.2369 57.8367 31.6566 176.7328 117 G 3.8255 8.7565 113.4841 45.8941 0.0000 172.8131 118 T 4.4505 7.4876 109.7703 59.9143 71.2004 175.9832 119 D 4.7808 8.1630 120.8122 53.3724 38.5483 176.4223 120 V 4.1648 7.9744 117.0880 63.7224 32.1541 177.4483 121 Q 4.1817 8.2963 117.3186 58.5643 28.3843 178.1988 122 A 3.9982 8.0843 122.0520 54.6638 18.0869 179.3701 123 W 4.3014 8.1524 116.6223 58.4082 29.5348 176.9058 124 I 4.5230 7.5567 110.5899 60.0329 37.7898 175.2942 125 R 4.0774 7.4371 122.4421 57.9550 30.2050 176.9748 126 G 3.9960 8.9047 112.7263 45.6264 0.0000 174.1665 127 C 4.4842 7.6404 116.6106 56.1993 41.0654 174.0307 128 R 4.2878 8.3057 123.6642 55.1814 28.7074 176.3010 129 L 4.3453 8.1919 123.5494 54.5843 42.0615 176.7875 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 K 8.17 4.25 0.00 1.86 1.75 0.00 1.34 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.45 7.81 2 V 8.28 4.55 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 0.95 0.00 0.00 0.98 0.00 0.00 3 F 9.63 4.46 0.00 2.81 2.75 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 4 G 8.84 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 0.00 0.00 0.00 5 R 8.68 3.41 0.00 2.00 1.98 0.00 3.64 0.00 0.00 3.70 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 6 C 8.08 4.37 0.00 3.01 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 7 E 8.06 3.92 0.00 2.07 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 0.00 2.71 2.45 0.00 8 L 8.08 3.50 0.00 1.31 1.35 -0.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.86 3.91 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 10 A 8.09 3.89 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 11 A 7.95 3.95 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 12 M 8.25 3.86 0.00 1.86 2.18 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 13 K 8.19 3.83 0.00 1.88 1.92 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 14 R 7.77 3.87 0.00 1.77 2.07 0.00 3.23 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.57 0.00 15 H 7.67 4.63 0.00 3.21 3.14 0.00 5.98 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 16 G 8.06 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 17 L 7.62 3.75 0.00 1.40 0.65 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.96 4.53 0.00 2.64 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 19 N 9.35 4.38 0.00 3.05 2.95 0.00 0.00 6.22 7.64 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 20 Y 8.39 3.88 0.00 3.22 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.06 3.36 0.00 1.75 2.24 0.00 3.30 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 22 G 8.37 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 0.00 0.00 0.00 23 Y 7.94 4.46 0.00 3.11 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 4.87 0.00 4.11 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 0.00 25 L 8.83 4.32 0.00 2.10 1.83 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.32 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 0.00 0.00 0.00 27 N 8.23 4.50 0.00 2.79 2.58 0.00 0.00 7.01 6.96 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 28 W 7.89 3.83 0.00 3.44 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 29 V 8.03 3.57 2.20 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 1.28 0.00 0.00 1.04 0.00 0.00 30 C 8.11 2.47 0.00 2.58 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 31 A 7.99 3.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.67 4.06 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 33 K 7.58 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.88 0.00 0.00 3.06 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.14 4.56 0.00 3.03 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 35 E 8.04 4.34 0.00 2.01 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 0.00 2.53 2.54 0.00 36 S 7.91 4.55 0.00 4.14 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 37 N 8.40 4.04 0.00 2.79 2.89 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.98 4.13 0.00 3.39 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 39 N 7.88 5.41 0.00 2.83 2.89 0.00 0.00 6.98 8.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.94 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 1.60 0.00 0.00 41 Q 8.28 4.33 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 42 A 7.87 4.39 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.19 5.47 3.95 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 1.13 0.00 0.00 44 N 8.16 4.90 0.00 2.72 2.68 0.00 0.00 6.63 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 45 R 8.66 4.58 0.00 1.75 1.78 0.00 3.34 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 46 N 8.99 5.12 0.00 2.76 2.70 0.00 0.00 6.78 6.98 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 47 T 8.57 3.86 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 1.21 0.00 0.00 48 D 8.02 4.42 0.00 2.77 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 49 A 7.97 3.72 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 50 S 8.06 4.65 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 51 T 8.84 5.02 4.19 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 0.61 0.00 0.00 52 D 9.17 5.44 0.00 2.69 2.70 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 53 Y 9.14 4.97 0.00 2.96 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 54 G 9.15 4.61 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 0.00 0.00 0.00 55 I 8.36 3.98 1.92 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 1.38 2.50 0.87 0.00 0.00 56 L 7.94 4.63 0.00 1.76 1.86 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.00 3.52 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.75 0.00 58 I 7.91 4.11 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 1.09 0.00 0.00 59 N 9.14 5.34 0.00 3.08 3.12 0.00 0.00 6.98 7.45 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 60 S 9.11 4.52 0.00 4.00 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 61 R 8.64 3.60 0.00 1.43 1.14 0.00 2.43 0.00 0.00 2.48 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.70 0.00 62 W 7.69 4.37 0.00 1.78 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 63 W 8.09 4.67 0.00 3.66 3.31 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 64 C 7.90 5.45 0.00 3.18 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 65 N 8.94 4.85 0.00 2.75 2.67 0.00 0.00 7.17 9.28 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 66 D 8.62 4.66 0.00 2.82 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 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 0.00 0.00 0.00 68 R 8.39 4.61 0.00 1.89 1.95 0.00 3.03 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 69 T 7.78 4.43 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 1.08 0.00 0.00 70 P 0.00 4.16 0.00 1.95 1.96 0.00 3.73 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 1.98 2.05 0.00 71 G 8.74 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 72 S 7.48 4.18 0.00 3.97 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 73 R 8.49 4.10 0.00 1.84 1.97 0.00 3.31 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 74 N 8.03 4.14 0.00 2.87 2.74 0.00 0.00 7.25 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.47 4.08 0.00 1.64 1.82 0.29 1.05 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 76 C 8.56 4.55 0.00 3.37 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 77 N 8.03 4.20 0.00 2.85 2.84 0.00 0.00 6.71 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 78 I 7.99 4.65 1.86 0.00 0.00 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 1.46 0.68 0.96 0.00 0.00 79 P 0.00 4.73 0.00 2.18 2.17 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 80 C 8.75 3.90 0.00 2.04 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 81 S 7.90 3.88 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.15 4.07 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 83 L 7.77 4.30 0.00 1.84 1.82 1.00 0.88 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 84 L 7.53 4.78 0.00 1.81 1.78 1.09 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.40 4.33 0.00 3.89 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.53 4.24 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.83 4.69 0.00 2.72 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 88 I 8.36 4.14 1.73 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.82 0.83 0.00 0.00 89 T 8.38 3.56 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 1.20 0.00 0.00 90 A 7.87 3.94 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.93 4.07 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 92 V 7.99 3.28 1.80 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 0.67 0.00 0.00 0.69 0.00 0.00 93 N 8.16 4.19 0.00 2.74 2.80 0.00 0.00 6.72 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.15 4.28 0.00 3.12 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 95 A 8.13 4.07 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 96 K 7.68 3.67 0.00 1.68 1.56 0.00 1.32 0.00 0.00 1.16 0.00 0.00 2.20 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.30 0.96 7.81 97 K 7.60 4.20 0.00 1.95 1.97 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.73 7.81 98 I 7.46 2.88 1.55 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.16 -0.25 0.00 0.00 99 V 8.27 3.95 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 1.46 0.00 0.00 0.84 0.00 0.00 100 S 7.89 4.57 0.00 4.14 4.02 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 0.00 101 D 7.83 4.65 0.00 2.83 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 0.00 102 G 7.43 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.45 4.79 0.00 2.79 2.83 0.00 0.00 7.08 7.70 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 0.00 104 G 7.80 3.95 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 0.00 0.00 0.00 105 M 7.67 4.15 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.98 0.00 106 N 7.86 4.89 0.00 2.96 3.01 0.00 0.00 6.89 8.52 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 0.00 107 A 7.48 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.21 4.64 0.00 3.60 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 0.00 109 V 8.56 3.73 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 0.92 0.00 0.00 0.97 0.00 0.00 110 A 8.32 4.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.18 3.94 0.00 3.34 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.04 3.44 0.00 2.06 2.15 0.00 3.33 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 1.61 1.95 0.00 113 N 8.12 4.50 0.00 2.78 2.77 0.00 0.00 6.86 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 0.00 114 R 7.99 4.41 0.00 1.44 1.19 0.00 2.87 0.00 0.00 2.78 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.33 0.00 115 C 7.71 4.70 0.00 2.49 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 0.00 116 K 7.25 3.22 0.00 0.79 1.35 0.00 1.68 0.00 0.00 1.51 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.18 0.80 7.81 117 G 8.76 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 0.00 118 T 7.49 4.45 4.30 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 0.00 0.00 0.00 1.25 0.00 0.00 119 D 8.16 4.78 0.00 2.83 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 0.00 120 V 7.97 4.16 2.42 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 0.94 0.00 0.00 1.08 0.00 0.00 121 Q 8.30 4.18 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 122 A 8.08 4.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.15 4.30 0.00 3.56 3.39 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 0.00 124 I 7.56 4.52 1.94 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 1.35 0.88 1.03 0.00 0.00 125 R 7.44 4.08 0.00 1.77 1.91 0.00 3.25 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 126 G 8.90 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 0.00 0.00 0.00 127 C 7.64 4.48 0.00 3.11 3.03 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 0.00 128 R 8.31 4.29 0.00 1.77 1.87 0.00 3.19 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 129 L 8.19 4.35 0.00 1.66 1.53 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.