NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8899 8.3544 109.7377 45.4726 0.0000 171.8433 0 S 4.4205 8.3359 113.7185 57.1853 63.8502 172.0126 1 M 5.2930 9.4300 127.1441 53.6358 35.5877 174.4244 2 K 5.0358 9.0421 120.6905 54.5807 37.0786 175.0436 3 K 4.7712 9.2043 125.5715 55.1914 34.0027 175.1756 4 V 4.5814 9.0530 128.4658 61.6527 33.2234 174.0697 5 E 5.2146 9.3603 128.3571 54.5258 32.0671 174.8932 6 A 4.9356 9.0562 126.4058 50.0440 22.4007 174.7467 7 I 4.8983 8.5557 124.1200 59.6791 39.2118 174.9512 8 I 4.8509 8.6068 120.3823 58.4512 41.9100 175.0032 9 R 4.2420 8.3740 120.9827 55.5111 30.4721 176.4589 10 P 4.2382 0.0000 0.0000 65.5671 31.4906 177.9325 11 E 4.1899 8.1124 113.6920 57.6590 29.9938 177.7563 12 K 4.3496 8.0271 119.1791 56.4715 32.4861 177.8721 13 L 3.9076 7.5635 122.2392 58.1346 42.0745 178.3420 14 E 3.8983 8.0983 118.5964 59.3664 29.6363 178.4576 15 I 3.6865 7.6599 118.1336 64.0005 38.0710 177.8344 16 V 3.5879 7.8484 119.4110 65.8669 31.3248 178.1760 17 K 3.9794 8.4630 119.0948 59.6526 32.3397 179.0843 18 K 3.8697 8.1992 120.5656 59.3113 32.1244 178.5319 19 A 4.0300 8.1203 121.0395 55.2366 18.2066 179.5981 20 L 4.0751 8.2129 117.5588 58.0246 41.7325 179.6736 21 S 4.0812 8.3417 113.2439 61.5394 62.1387 175.6927 22 D 4.3390 8.4162 119.6440 56.8439 40.9835 177.0992 23 A 4.3997 7.5510 118.4807 51.8653 19.0119 177.8194 24 G 3.6250 8.0431 106.3610 45.4073 0.0000 174.2965 25 Y 4.5297 7.5516 118.3855 56.5480 36.8229 175.0056 26 V 3.9352 8.0912 124.0305 63.6648 32.7204 176.2769 27 G 3.8740 8.0331 109.0138 45.1886 0.0000 172.3087 28 M 5.0776 8.2654 121.9898 53.8749 34.7314 174.2449 29 T 4.6998 8.9795 117.1270 61.8086 71.7102 173.3703 30 V 4.9360 8.4035 124.8370 61.2825 34.1074 174.6637 31 S 4.8831 9.0863 122.9942 56.7022 67.2306 172.7167 32 E 4.7115 8.7011 121.7404 55.8448 30.5267 175.9960 33 V 4.6572 8.7391 116.7390 59.6899 36.7351 174.1399 34 K 5.1005 8.6641 119.3917 55.0364 35.4442 176.1228 35 G 4.4257 9.0717 110.2418 44.0370 0.0000 171.7495 36 R 4.4077 8.5928 116.5082 55.9272 30.2455 177.1445 37 G 3.9467 8.4952 110.7941 44.6899 0.0000 174.0055 38 V 3.5625 8.3684 120.7777 63.3068 31.6494 177.0267 39 Q 3.6140 7.7964 118.5437 53.7719 27.3136 175.6305 *53 V 3.8954 8.0156 115.8330 61.8979 31.7596 175.4112 54 D 4.4962 8.4812 124.7765 54.0513 41.3556 176.5449 55 L 4.5547 8.2465 122.2175 54.7366 42.7393 176.0115 56 I 4.6988 8.8212 114.1592 58.1807 41.2732 172.9776 57 P 4.8776 0.0000 0.0000 62.8643 31.9058 175.9163 58 K 4.7592 9.2319 122.3915 54.8328 37.3922 174.9554 59 V 4.7364 8.6618 121.0858 61.1021 34.2922 174.0265 60 K 4.9172 9.0827 129.4420 55.0276 34.0176 174.6596 61 I 4.8629 8.7910 129.0599 59.6552 39.6663 174.4310 62 E 5.1644 9.3662 126.5556 54.5160 32.6662 175.0193 63 L 4.9807 9.0459 124.2137 52.9188 45.7417 175.5081 64 V 4.6963 8.5047 123.8215 61.6900 32.7269 175.1261 65 V 4.7094 8.8471 120.3824 59.0067 36.7454 175.1893 66 K 4.2189 8.6684 120.8536 56.6796 32.8009 177.8832 67 E 3.9157 8.9486 123.6874 59.6070 29.2294 179.3132 68 E 4.0917 8.1935 115.7928 58.7747 29.9717 177.7115 69 D 4.7160 8.1773 118.8465 54.6731 41.2139 178.4122 70 V 3.5010 7.5723 119.9466 66.1411 31.5126 177.3909 71 D 4.3264 8.0751 117.9941 57.4246 40.6697 178.2714 72 N 4.2758 8.0701 116.8581 56.6431 39.0784 176.8042 73 V 3.2830 7.6504 119.5564 66.0229 31.4849 177.9996 74 I 3.6384 7.8957 119.6775 64.3916 36.8883 178.0954 75 D 4.3281 8.2121 119.7029 57.4731 40.6884 178.9318 76 I 3.7006 7.8306 120.1311 64.4414 37.0376 178.5947 77 I 3.6472 7.7958 120.4635 64.5564 36.8672 178.2524 78 C 4.0594 8.1746 117.6112 62.8330 27.7636 175.7696 79 E 3.9047 8.0723 119.4619 59.2942 29.3254 178.0529 80 N 4.5851 8.0354 114.0295 54.5590 39.0799 176.5192 81 A 4.3489 8.0875 121.4427 52.2869 19.7057 177.9000 82 R 4.2877 7.1188 113.7078 56.4655 30.1116 176.6586 83 T 4.4305 9.9098 108.6102 60.6614 70.1694 175.1696 84 G 3.9597 8.8825 109.7903 45.0322 0.0000 172.6937 85 N 4.9838 7.6944 116.8133 50.2545 40.8465 172.5259 86 P 4.2191 0.0000 0.0000 64.9512 31.7835 176.5421 87 G 4.0440 8.9142 109.9147 45.6178 0.0000 174.2353 88 D 4.2918 7.3131 120.5320 55.3452 41.0322 175.2675 89 G 4.2083 8.3282 102.1933 44.7778 0.0000 172.3194 90 K 4.6040 8.1256 115.4551 54.7728 36.8576 175.5751 91 I 4.6331 7.8988 121.9819 59.4504 40.2295 174.9810 92 F 5.1867 9.0211 124.5604 55.6639 42.6150 174.1850 93 V 4.9069 8.5742 121.7782 61.2631 33.5348 174.6553 94 I 4.7571 8.6809 128.7917 58.4295 40.4176 173.3225 95 P 4.6125 0.0000 0.0000 62.9738 32.0139 175.6275 96 V 4.3752 8.2603 122.8807 61.4292 32.7336 175.3098 97 E 4.3282 9.0308 127.1231 58.0303 30.1774 176.8373 98 R 4.6441 7.5291 115.7601 54.7359 34.3867 174.1129 99 V 4.4863 8.3404 121.1422 61.0438 34.7942 174.0844 100 V 4.8986 8.3040 126.7349 60.9656 34.2844 174.5802 101 R 4.1024 8.9699 129.3607 56.0764 29.2834 177.1355 102 V 3.5876 8.7341 126.8904 66.1027 31.8072 178.2289 103 R 4.1973 7.9943 114.2843 58.1566 29.5533 176.8819 104 T 4.3796 7.0928 104.7262 60.1208 70.0520 174.6756 105 K 3.8876 8.4018 119.8709 56.8714 30.6941 175.5001 106 E 4.1216 7.7033 118.7343 56.9352 29.8910 175.8125 107 E 5.6922 7.3686 118.5845 54.4308 34.5073 176.9694 108 G 3.8814 8.5105 107.0157 45.3701 0.0000 174.7096 109 K 4.0236 8.5735 116.6271 59.8569 33.0358 178.9341 110 E 3.9119 8.4297 118.8908 59.3107 29.4736 178.9494 111 A 4.1033 7.8009 120.2507 54.5996 18.5904 178.4919 112 L 4.3795 7.7011 115.3789 56.9672 43.3144 177.5303 113 L 4.6382 7.2623 119.4374 52.6282 39.8748 176.3568 114 E 4.0818 9.1920 130.3016 57.6321 30.5855 173.4495 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 G 8.35 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 0 S 8.34 4.42 0.00 4.00 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 1 M 9.43 5.29 0.00 1.96 2.06 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 2.59 2.48 0.00 2 K 9.04 5.04 0.00 1.59 1.63 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 K 9.20 4.77 0.00 1.79 1.69 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.38 7.81 4 V 9.05 4.58 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 0.91 0.00 0.00 0.87 0.00 0.00 5 E 9.36 5.21 0.00 2.05 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 0.00 2.28 2.31 0.00 6 A 9.06 4.94 1.11 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 0.00 0.00 7 I 8.56 4.90 1.81 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 1.22 1.28 0.91 0.00 0.00 8 I 8.61 4.85 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 1.20 0.81 0.86 0.00 0.00 9 R 8.37 4.24 0.00 1.88 2.08 0.00 3.13 0.00 0.00 3.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 10 P 0.00 4.24 0.00 2.17 2.10 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 11 E 8.11 4.19 0.00 2.07 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 2.27 2.27 0.00 12 K 8.03 4.35 0.00 1.95 1.85 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.38 1.73 7.81 13 L 7.56 3.91 0.00 1.70 1.77 0.92 1.02 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 14 E 8.10 3.90 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 15 I 7.66 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.06 1.02 0.00 0.00 16 V 7.85 3.59 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.98 0.00 0.00 17 K 8.46 3.98 0.00 2.00 2.20 0.00 1.38 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.45 7.81 18 K 8.20 3.87 0.00 2.14 1.91 0.00 1.54 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.51 7.81 19 A 8.12 4.03 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 20 L 8.21 4.08 0.00 1.95 1.99 0.94 0.93 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 21 S 8.34 4.08 0.00 3.91 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 22 D 8.42 4.34 0.00 2.68 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 23 A 7.55 4.40 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 24 G 8.04 3.63 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 0.00 0.00 0.00 25 Y 7.55 4.53 0.00 3.05 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 26 V 8.09 3.94 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 0.80 0.00 0.00 0.92 0.00 0.00 27 G 8.03 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 28 M 8.27 5.08 0.00 1.99 2.00 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 2.47 2.59 0.00 29 T 8.98 4.70 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 1.27 0.00 0.00 30 V 8.40 4.94 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 0.82 0.00 0.00 0.93 0.00 0.00 31 S 9.09 4.88 0.00 3.76 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 32 E 8.70 4.71 0.00 1.85 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 2.27 2.33 0.00 33 V 8.74 4.66 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 0.78 0.00 0.00 0.99 0.00 0.00 34 K 8.66 5.10 0.00 1.59 1.67 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.41 7.81 35 G 9.07 4.43 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 0.00 36 R 8.59 4.41 0.00 1.81 1.96 0.00 3.10 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 37 G 8.50 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 38 V 8.37 3.56 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 0.71 0.00 0.00 0.93 0.00 0.00 39 Q 7.80 3.61 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.66 0.00 0.00 0.00 0.00 0.00 2.16 1.90 0.00 *53 V 8.02 3.90 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 0.89 0.00 0.00 0.93 0.00 0.00 54 D 8.48 4.50 0.00 2.67 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 55 L 8.25 4.55 0.00 1.53 1.69 0.93 0.76 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 56 I 8.82 4.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.10 0.91 0.00 0.00 57 P 0.00 4.88 0.00 1.96 2.03 0.00 3.62 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 2.02 2.12 0.00 58 K 9.23 4.76 0.00 1.60 1.77 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.51 7.81 59 V 8.66 4.74 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 1.02 0.00 0.00 0.93 0.00 0.00 60 K 9.08 4.92 0.00 1.85 1.66 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 I 8.79 4.86 1.84 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 1.22 0.60 0.90 0.00 0.00 62 E 9.37 5.16 0.00 1.84 1.83 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 2.23 2.26 0.00 63 L 9.05 4.98 0.00 1.51 1.48 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.50 4.70 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 0.81 0.00 0.00 0.94 0.00 0.00 65 V 8.85 4.71 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.92 0.00 0.00 66 K 8.67 4.22 0.00 2.04 1.77 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.56 1.47 7.81 67 E 8.95 3.92 0.00 2.05 1.97 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 2.32 2.34 0.00 68 E 8.19 4.09 0.00 2.18 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 2.31 2.44 0.00 69 D 8.18 4.72 0.00 2.93 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 70 V 7.57 3.50 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 1.10 0.00 0.00 0.95 0.00 0.00 71 D 8.08 4.33 0.00 2.72 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 72 N 8.07 4.28 0.00 2.89 3.04 0.00 0.00 6.80 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 73 V 7.65 3.28 1.97 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 0.76 0.00 0.00 0.05 0.00 0.00 74 I 7.90 3.64 1.96 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 1.46 0.50 0.87 0.00 0.00 75 D 8.21 4.33 0.00 2.84 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 76 I 7.83 3.70 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.80 0.98 0.00 0.00 77 I 7.80 3.65 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.85 0.00 0.00 78 C 8.17 4.06 0.00 3.11 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 79 E 8.07 3.90 0.00 2.11 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 2.32 2.35 0.00 80 N 8.04 4.59 0.00 2.83 2.85 0.00 0.00 7.00 7.41 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 81 A 8.09 4.35 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 82 R 7.12 4.29 0.00 1.89 2.02 0.00 3.08 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.56 0.00 83 T 9.91 4.43 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 1.24 0.00 0.00 84 G 8.88 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 85 N 7.69 4.98 0.00 2.78 2.70 0.00 0.00 6.88 7.35 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 86 P 0.00 4.22 0.00 2.03 2.02 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 87 G 8.91 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 88 D 7.31 4.29 0.00 2.76 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 89 G 8.33 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.13 4.60 0.00 1.40 1.28 0.00 1.69 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.41 7.81 91 I 7.90 4.63 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.45 0.82 0.00 0.00 92 F 9.02 5.19 0.00 2.93 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 93 V 8.57 4.91 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 0.82 0.00 0.00 0.94 0.00 0.00 94 I 8.68 4.76 1.90 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 1.28 0.54 0.92 0.00 0.00 95 P 0.00 4.61 0.00 2.07 2.06 0.00 3.71 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 1.98 1.96 0.00 96 V 8.26 4.38 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 0.82 0.00 0.00 0.97 0.00 0.00 97 E 9.03 4.33 0.00 2.00 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 2.28 2.32 0.00 98 R 7.53 4.64 0.00 1.75 1.78 0.00 3.15 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 99 V 8.34 4.49 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 0.99 0.00 0.00 0.94 0.00 0.00 100 V 8.30 4.90 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 0.90 0.00 0.00 0.93 0.00 0.00 101 R 8.97 4.10 0.00 1.93 1.79 0.00 3.33 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 102 V 8.73 3.59 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 0.96 0.00 0.00 0.93 0.00 0.00 103 R 7.99 4.20 0.00 1.96 2.05 0.00 3.03 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 104 T 7.09 4.38 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 0.00 105 K 8.40 3.89 0.00 1.93 1.95 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.54 7.81 106 E 7.70 4.12 0.00 2.07 1.89 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 2.34 2.30 0.00 107 E 7.37 5.69 0.00 1.89 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 2.31 2.42 0.00 108 G 8.51 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 0.00 109 K 8.57 4.02 0.00 1.96 2.10 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.48 7.81 110 E 8.43 3.91 0.00 2.26 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 2.41 2.39 0.00 111 A 7.80 4.10 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 0.00 112 L 7.70 4.38 0.00 1.80 1.76 0.95 0.96 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 0.00 113 L 7.26 4.64 0.00 1.57 0.65 0.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 114 E 9.19 4.08 0.00 2.03 1.85 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 2.21 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.