NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6647 8.2048 120.4211 55.4768 33.7125 174.0053 2 K 4.6598 9.0341 121.1740 53.5397 36.6806 173.5728 3 L 4.9602 9.5611 126.1171 53.6125 44.6676 174.7700 4 I 4.7955 8.9868 128.2789 60.0680 39.2912 174.9366 5 V 4.9221 9.2361 127.1833 61.1650 34.0058 173.8885 6 A 5.2094 9.1461 130.2707 50.1291 22.2295 174.6392 7 I 4.9268 8.7143 122.8608 59.7399 39.6905 175.3871 8 V 4.9769 8.7691 119.7357 59.1224 36.4655 175.6046 9 R 4.3429 8.4184 120.7153 55.5500 30.9044 176.4641 10 P 4.2376 0.0000 0.0000 65.6498 31.4755 178.0521 11 E 4.2319 8.1511 113.4488 57.5349 29.9809 177.6377 12 K 4.4494 8.0693 119.1225 56.1258 32.8749 177.5130 13 L 3.9568 7.6586 122.2769 58.3358 42.0430 178.3933 14 N 4.3545 8.2058 115.7820 56.5578 38.5296 177.0416 15 E 3.9845 8.1282 119.2864 59.3771 29.5460 179.4749 16 V 3.6037 7.9379 118.2501 65.9705 31.5369 178.0625 17 L 3.9714 8.5153 119.1394 57.5895 41.4634 179.3761 18 K 4.0167 8.3448 119.3695 59.6255 32.1557 178.6854 19 A 4.0327 8.1225 120.9466 55.1055 18.1646 179.6976 20 L 3.8474 8.0867 117.7127 58.0269 41.4946 179.7715 21 F 4.1293 8.1994 116.8603 60.5545 38.8817 177.5109 22 Q 4.1821 8.2540 116.8162 58.4635 28.5828 178.0972 23 A 4.1866 7.7944 121.5480 52.6198 18.5416 175.4000 24 E 3.8367 8.4625 120.3357 56.8385 28.2041 174.5059 25 V 4.5310 7.7135 115.4682 59.5029 35.1823 175.2767 26 R 4.3499 7.6862 116.6183 57.0231 30.2511 176.4867 27 G 4.2312 7.6889 103.9786 43.9776 0.0000 173.4247 28 L 5.0993 7.8707 120.3776 54.7630 43.3345 174.2927 29 T 4.9622 8.7192 109.6150 60.3809 72.5914 172.3934 30 L 5.1874 8.2450 121.2300 55.3927 43.5210 174.1035 31 S 4.6560 8.6579 112.8796 57.5944 66.6833 173.9648 32 R 4.7050 8.5083 120.0480 56.1441 31.0614 176.1974 33 V 4.6253 8.8255 115.4895 60.0393 36.9079 173.7816 34 Q 4.8805 8.7244 119.8760 54.4141 30.6191 176.1154 35 G 4.2691 9.3627 111.4442 45.3103 0.0000 171.6357 36 H 5.2330 8.5642 118.9472 54.2328 33.5899 172.2350 37 G 4.0349 8.7042 107.0039 46.6103 0.0000 173.9158 *53 M 4.4286 7.6308 117.9954 55.0645 32.5895 175.0871 54 E 4.5837 8.7494 117.4975 53.8643 31.9790 174.6999 55 L 4.8726 8.2228 125.3148 53.4496 44.2458 175.3596 56 H 4.9463 8.9214 119.2167 53.6081 31.8757 173.3027 57 E 4.5235 8.9713 122.7994 57.0406 30.0436 176.3396 58 K 4.7685 9.1332 121.8477 54.9630 37.7223 174.9911 59 V 4.7041 8.8136 121.2848 61.2286 34.4075 174.0018 60 R 4.9952 8.9677 128.6467 54.8908 31.8057 174.7137 61 L 5.2826 9.1779 126.3607 52.8616 45.4112 174.9795 62 E 5.0717 9.1889 123.3093 54.5361 32.6645 174.5556 63 I 5.0023 9.0605 127.7308 59.4690 39.9577 174.6184 64 G 4.2547 8.3192 114.3856 45.3987 0.0000 172.8546 65 V 4.8180 8.7912 124.2752 61.3917 35.5188 174.2190 66 S 4.7362 9.0716 122.9788 58.3668 63.9214 175.5809 67 E 3.7851 8.6324 123.5122 59.1950 29.5638 178.1358 68 P 4.0149 0.0000 0.0000 64.8196 31.6514 177.1898 69 F 4.9320 8.0903 115.0421 57.3021 39.7031 177.7034 70 V 3.5906 7.8601 122.2367 65.9450 31.2701 177.8464 71 K 3.8982 8.0480 119.1106 59.1479 32.1142 176.7950 72 P 4.3114 0.0000 0.0000 65.9918 31.3365 178.5750 73 T 3.9025 7.9245 115.4894 66.4278 68.2930 176.8595 74 V 3.6041 8.2547 120.6549 66.0882 31.4794 177.9502 75 E 3.9538 8.4745 118.2117 59.2406 29.3384 179.1915 76 A 3.9821 8.1394 120.8883 55.1578 18.3686 179.8225 77 I 3.6548 7.8179 118.2777 64.3868 37.2328 178.4923 78 L 3.9322 8.1636 120.2104 57.9191 41.2994 179.6441 79 K 3.9475 8.0469 117.7890 59.4051 32.1518 178.3229 80 A 4.1387 7.8130 119.6777 54.3010 18.5181 178.6096 81 A 4.3075 8.0108 117.3524 51.9673 19.8216 177.5678 82 R 4.2931 7.3279 118.0625 56.1502 30.7474 176.1001 83 T 4.3964 9.9502 113.9321 60.8041 70.6003 175.2451 84 G 3.9498 8.8736 109.1294 44.9466 0.0000 172.6591 85 E 4.6675 7.7585 119.1900 53.8163 31.8722 175.7068 86 V 3.6140 8.0815 121.2097 64.7501 30.5727 176.2142 87 G 4.1099 8.9575 113.7996 45.4653 0.0000 174.9394 88 D 4.3431 7.4506 119.6262 55.4918 41.0686 175.4886 89 G 4.2370 7.7024 102.0683 44.9626 0.0000 172.2458 90 K 4.5817 8.1375 115.6005 54.9229 37.0970 175.5277 91 I 4.7641 7.7446 121.2890 59.6512 40.3499 174.9154 92 F 4.8860 9.3403 126.0765 55.6622 41.6164 174.8578 93 V 4.7880 8.5650 122.8260 61.3437 33.0499 174.4556 94 L 4.9810 8.9633 128.8355 52.1907 44.3809 174.6433 95 P 4.7662 0.0000 0.0000 62.7484 32.6382 175.5887 96 V 4.3551 8.0108 120.1980 61.4399 33.5446 175.1941 97 E 4.1552 9.1452 127.7867 59.0512 29.7271 177.2593 98 K 4.6016 7.5392 114.7895 54.7842 36.3282 175.5552 99 V 4.5673 7.8595 120.1431 60.1843 34.6810 173.6911 100 Y 5.1750 8.7454 120.8143 56.2576 41.0716 175.0962 101 R 4.4391 8.8857 123.0097 55.0616 31.0554 177.9292 102 I 3.7383 8.6242 125.6376 64.1832 37.6130 177.4258 103 R 4.0492 8.2177 119.9667 58.7900 29.9108 176.9045 104 T 4.3596 7.9416 104.6726 60.6947 70.2456 175.2857 105 G 3.9811 8.5579 110.3852 45.3283 0.0000 173.4014 106 E 4.2228 7.8547 120.9601 55.5633 30.3821 175.0855 107 E 4.0739 8.3342 125.9407 56.2944 30.6676 175.9512 108 D 4.6850 8.8397 125.5241 54.7403 41.9653 175.6115 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 M 8.20 4.66 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 2 K 9.03 4.66 0.00 1.68 1.65 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.60 7.81 3 L 9.56 4.96 0.00 1.75 1.53 0.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.99 4.80 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.92 0.00 0.00 5 V 9.24 4.92 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 0.97 0.00 0.00 0.97 0.00 0.00 6 A 9.15 5.21 1.20 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 0.00 0.00 7 I 8.71 4.93 1.90 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 1.39 1.35 0.95 0.00 0.00 8 V 8.77 4.98 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 0.76 0.00 0.00 0.99 0.00 0.00 9 R 8.42 4.34 0.00 1.87 2.04 0.00 3.13 0.00 0.00 3.49 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 10 P 0.00 4.24 0.00 2.18 2.12 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 11 E 8.15 4.23 0.00 2.08 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 2.28 2.28 0.00 12 K 8.07 4.45 0.00 1.88 1.85 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.72 7.81 13 L 7.66 3.96 0.00 1.80 1.74 0.94 0.67 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 14 N 8.21 4.35 0.00 2.79 2.88 0.00 0.00 7.09 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 15 E 8.13 3.98 0.00 2.19 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 2.41 2.38 0.00 16 V 7.94 3.60 2.22 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 1.10 0.00 0.00 1.00 0.00 0.00 17 L 8.52 3.97 0.00 1.93 1.94 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.34 4.02 0.00 1.96 2.04 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 19 A 8.12 4.03 1.40 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 0.00 0.00 20 L 8.09 3.85 0.00 1.58 1.44 0.81 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.20 4.13 0.00 3.04 3.06 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 22 Q 8.25 4.18 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 23 A 7.79 4.19 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 24 E 8.46 3.84 0.00 1.94 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 2.19 2.35 0.00 25 V 7.71 4.53 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 0.66 0.00 0.00 0.78 0.00 0.00 26 R 7.69 4.35 0.00 1.77 1.95 0.00 3.17 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 27 G 7.69 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 0.00 0.00 0.00 28 L 7.87 5.10 0.00 1.52 1.49 0.88 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.72 4.96 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 30 L 8.24 5.19 0.00 1.70 1.64 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.66 4.66 0.00 3.90 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 32 R 8.51 4.71 0.00 1.73 1.91 0.00 3.16 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 33 V 8.83 4.63 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 0.76 0.00 0.00 0.96 0.00 0.00 34 Q 8.72 4.88 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 35 G 9.36 4.27 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 0.00 36 H 8.56 5.23 0.00 3.10 3.13 0.00 5.90 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 37 G 8.70 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 *53 M 7.63 4.43 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.72 0.00 54 E 8.75 4.58 0.00 1.88 1.73 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 2.13 2.22 0.00 55 L 8.22 4.87 0.00 1.50 1.60 0.88 0.92 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 56 H 8.92 4.95 0.00 3.04 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.97 4.52 0.00 1.87 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 2.33 2.36 0.00 58 K 9.13 4.77 0.00 1.65 1.66 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.55 7.81 59 V 8.81 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 1.10 0.00 0.00 0.95 0.00 0.00 60 R 8.97 5.00 0.00 1.95 1.79 0.00 3.12 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 61 L 9.18 5.28 0.00 1.60 1.50 0.97 0.57 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 62 E 9.19 5.07 0.00 2.00 1.76 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 2.19 2.26 0.00 63 I 9.06 5.00 1.85 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 1.09 0.40 0.86 0.00 0.00 64 G 8.32 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 65 V 8.79 4.82 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 1.12 0.00 0.00 0.94 0.00 0.00 66 S 9.07 4.74 0.00 3.91 3.77 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 67 E 8.63 3.79 0.00 2.02 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 2.37 2.43 0.00 68 P 0.00 4.01 0.00 0.86 1.60 0.00 3.53 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 69 F 8.09 4.93 0.00 3.16 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 70 V 7.86 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 1.03 0.00 0.00 1.03 0.00 0.00 71 K 8.05 3.90 0.00 1.82 1.80 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.45 7.81 72 P 0.00 4.31 0.00 2.38 2.36 0.00 3.72 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 2.43 2.23 0.00 73 T 7.92 3.90 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 1.20 0.00 0.00 74 V 8.25 3.60 2.21 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 1.10 0.00 0.00 0.99 0.00 0.00 75 E 8.47 3.95 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 2.33 2.61 0.00 76 A 8.14 3.98 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 77 I 7.82 3.65 1.98 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 1.50 0.70 0.89 0.00 0.00 78 L 8.16 3.93 0.00 1.81 1.71 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.05 3.95 0.00 1.74 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 80 A 7.81 4.14 1.35 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 0.00 0.00 81 A 8.01 4.31 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 82 R 7.33 4.29 0.00 1.92 1.82 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 83 T 9.95 4.40 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 1.25 0.00 0.00 84 G 8.87 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 85 E 7.76 4.67 0.00 2.04 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 2.20 0.00 86 V 8.08 3.61 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 0.76 0.00 0.00 0.92 0.00 0.00 87 G 8.96 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 0.00 0.00 0.00 88 D 7.45 4.34 0.00 2.75 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 7.70 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 0.00 0.00 0.00 0.00 90 K 8.14 4.58 0.00 1.27 0.94 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.38 7.81 91 I 7.74 4.76 1.76 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 1.28 0.50 0.88 0.00 0.00 92 F 9.34 4.89 0.00 3.01 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 93 V 8.57 4.79 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 0.83 0.00 0.00 0.95 0.00 0.00 94 L 8.96 4.98 0.00 1.59 1.53 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.77 0.00 2.07 2.05 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 1.99 1.96 0.00 96 V 8.01 4.36 2.26 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 0.87 0.00 0.00 1.00 0.00 0.00 97 E 9.15 4.16 0.00 2.01 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 0.00 2.32 2.28 0.00 98 K 7.54 4.60 0.00 1.73 1.44 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 99 V 7.86 4.57 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 0.74 0.00 0.00 0.93 0.00 0.00 100 Y 8.75 5.18 0.00 2.82 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 0.00 101 R 8.89 4.44 0.00 1.79 1.89 0.00 3.14 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 102 I 8.62 3.74 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.51 0.92 0.00 0.00 103 R 8.22 4.05 0.00 1.78 1.98 0.00 3.21 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 104 T 7.94 4.36 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 1.23 0.00 0.00 105 G 8.56 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 0.00 106 E 7.85 4.22 0.00 2.07 1.84 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 2.29 2.26 0.00 107 E 8.33 4.07 0.00 1.52 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 1.99 1.74 0.00 108 D 8.84 4.69 0.00 2.64 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 * Residues marked with a * may have inaccurate shift predictions.