NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.1644 8.2993 119.9951 56.5801 33.9053 174.5851 12 F 4.7269 7.9281 116.2725 54.8984 39.4525 174.5743 13 R 4.0674 9.0447 124.8917 58.4284 32.0176 179.5629 14 V 3.5292 7.7997 116.7880 62.4952 29.9710 172.3038 15 R 4.4419 8.9714 111.6962 57.0529 27.1422 176.5593 16 N 4.4750 7.5263 117.2856 55.3754 39.1218 176.2169 17 R 4.2126 7.4492 115.5033 56.5863 31.6362 175.1113 18 I 3.6464 8.6410 121.5377 62.8190 35.6800 176.1402 19 K 4.1993 7.6589 119.6785 56.5935 31.3013 177.4719 20 R 4.5464 7.7876 118.0196 54.9633 30.8595 175.9957 21 T 4.8070 8.3088 120.9144 63.1325 70.0519 174.5885 22 G 4.1331 7.8971 108.1827 46.4426 0.0000 173.9315 23 R 3.1272 9.0999 114.8667 57.1219 29.3463 175.9009 24 L 3.5964 8.1271 115.9727 55.8561 38.5169 174.6962 25 R 4.5188 8.5055 123.0133 55.0191 32.6018 176.2131 26 L 5.5726 7.4512 117.7817 55.0495 41.8260 175.2549 27 S 4.4130 7.8894 116.5700 57.8608 64.3212 173.2953 28 V 4.8599 8.2959 126.6319 61.0677 34.4205 173.5678 29 F 5.2246 10.2337 130.3998 56.5541 41.7042 173.6988 30 R 4.9559 9.2248 126.6115 54.4914 31.7370 174.9286 31 S 4.7360 8.0744 119.6205 55.7030 66.0564 173.8294 32 L 4.0444 8.4930 120.8542 57.4360 41.4041 178.6995 33 K 4.5251 7.9390 114.8499 56.5211 34.9220 175.1738 34 H 5.2151 7.4785 115.9990 54.8250 31.2698 171.4186 35 I 4.5556 6.9271 116.0655 61.6684 40.8672 174.0775 36 Y 5.1955 9.3925 126.6264 56.2385 42.4940 174.3342 37 A 5.1028 8.8952 122.6700 50.5097 22.8823 175.0406 38 Q 4.9559 9.1421 120.9979 54.2427 32.7168 175.2374 39 I 4.7792 8.5780 124.6383 59.4965 37.6405 174.3170 40 I 4.5535 8.0107 127.7421 60.0453 39.4233 174.4906 41 D 4.9421 8.9129 126.2240 52.5010 42.7785 175.8414 42 D 4.6343 8.2791 126.9163 54.8025 41.1807 173.7148 43 E 3.9713 8.3119 119.8931 58.0359 27.8383 175.7823 44 K 4.0117 7.8755 120.2796 56.9750 33.4155 177.2263 45 G 3.9746 7.8798 106.9280 45.8221 0.0000 172.5244 46 V 4.4654 7.6411 116.5747 61.8730 35.4888 172.8643 47 T 5.0032 8.2461 119.9940 62.0339 70.5548 174.1908 48 L 4.6229 8.6759 124.3953 55.4682 43.9168 176.9729 49 V 4.6971 7.3072 116.8260 61.3358 35.1923 174.3477 50 S 5.5186 8.1157 116.4345 58.7590 65.6128 174.3772 51 A 4.5961 8.1196 119.3790 51.8224 21.6486 175.4359 52 S 4.8470 8.7189 114.4818 56.5822 66.6045 173.3452 53 S 3.7354 9.4890 117.4259 59.1600 62.2895 176.6234 54 L 4.0160 7.7489 118.0668 59.3823 42.2965 177.1972 55 A 4.5042 8.4051 122.0660 49.6733 16.3300 177.4790 56 L 5.7347 7.9864 134.1760 54.9193 45.5880 173.6299 57 K 3.8852 8.7073 123.4508 55.7423 30.9828 179.0959 58 L 3.5982 8.6181 118.5902 53.7332 41.9346 172.3462 59 K 3.9705 8.0261 120.3480 55.9520 32.9566 176.6158 60 G 3.9891 8.4611 106.3339 45.2609 0.0000 172.6729 61 N 5.0053 7.6534 117.4083 50.8382 42.6819 173.6700 62 K 4.0130 9.2357 122.3753 58.2930 31.2251 179.2095 63 T 3.7881 9.2925 117.8451 65.6825 69.8460 176.2014 64 E 3.9416 8.5188 121.9692 59.2489 29.9577 179.5940 65 V 3.7774 8.1039 118.8371 65.2607 31.2632 177.4612 66 A 4.0248 7.4816 118.7662 54.6536 18.3323 178.1391 67 R 4.3517 7.8051 115.8075 57.3644 30.6858 178.0791 68 Q 4.0248 7.9271 117.3019 59.5356 29.1891 179.8570 69 V 3.7905 8.4624 120.2347 64.7573 31.0749 178.5228 70 G 3.5830 8.5996 106.8927 47.5745 0.0000 175.7374 71 R 3.8092 8.0789 120.4508 59.4470 30.1316 177.7071 72 A 3.8856 9.1034 119.9367 55.2595 18.0045 178.8861 73 L 3.8731 8.2450 115.7188 58.6608 42.6051 178.9305 74 A 3.9706 9.1266 119.6479 54.6440 17.7505 179.1328 75 E 3.8561 8.6925 118.8276 59.1071 30.4986 179.8511 76 K 4.0566 8.4492 117.9524 60.1586 32.1426 178.9183 77 A 3.6597 9.2191 118.8121 55.1554 18.4502 179.6550 78 L 3.9246 8.3738 114.8484 57.3129 41.8913 179.5718 79 A 4.0110 7.7391 120.8173 55.4610 18.4245 178.8861 80 L 4.0649 7.9956 114.2006 57.7999 41.6635 177.2669 81 G 3.4076 7.4020 108.9363 44.8416 0.0000 173.6614 82 I 3.8415 7.2839 121.8362 61.8131 37.4580 173.1631 83 K 4.1551 7.4000 126.0499 57.1723 39.6435 173.9362 84 Q 4.4887 8.1330 123.3035 56.2004 30.1051 175.5788 85 V 4.7481 8.3404 118.1584 60.1096 36.8262 173.3893 86 A 4.8821 8.6782 124.2560 50.2745 20.3306 179.4223 87 F 4.7909 8.8654 125.0471 59.1872 40.8749 172.9629 88 D 4.1368 6.9267 120.6873 53.8170 44.3297 175.4775 89 R 4.2461 7.9653 130.4057 55.2172 31.5866 175.8380 90 G 3.8220 9.3418 109.8593 48.5747 0.0000 171.9895 91 P 4.6917 0.0000 0.0000 63.7025 31.3529 178.5431 92 Y 4.2736 7.9597 118.0733 61.2461 38.0175 178.3750 93 K 3.3864 6.3367 119.0018 58.7899 30.6391 177.2405 94 Y 3.6614 5.9975 116.1778 57.6975 35.2815 172.6014 95 H 4.4598 8.0967 120.1225 55.3360 33.2032 174.5697 96 G 3.2419 8.9219 111.8676 48.4292 0.0000 173.7529 97 R 3.7185 8.2975 114.8954 56.5871 28.7500 175.9084 98 V 3.4357 7.6037 121.1135 63.4819 32.1846 176.8888 99 K 4.5734 8.4640 128.4492 55.3535 31.8637 178.0626 100 A 4.3192 7.4128 120.6040 51.5312 17.5609 177.8377 101 L 4.5896 7.3005 121.3655 54.1930 43.6298 179.4055 102 A 4.6056 8.0813 124.9665 49.6501 19.3185 180.6852 103 E 3.5273 9.5985 119.4837 59.2515 29.2630 177.8304 104 G 3.8721 9.0739 114.8100 46.4472 0.0000 174.0042 105 A 4.5197 8.5840 127.0138 52.5113 17.9635 178.9531 106 R 4.5221 8.0056 119.7744 58.1551 30.1257 176.2660 107 E 3.5614 7.9661 111.7068 58.3229 27.6505 172.7112 108 G 3.9928 8.2511 120.8610 45.7991 0.0000 171.6700 *109 G 3.7078 8.2127 112.6939 45.6372 0.0000 172.3301 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 11 K 8.30 4.16 0.00 1.74 1.76 0.00 1.47 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.41 7.81 12 F 7.93 4.73 0.00 3.12 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 13 R 9.04 4.07 0.00 1.88 2.08 0.00 3.37 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 14 V 7.80 3.53 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 0.96 0.00 0.00 1.24 0.00 0.00 15 R 8.97 4.44 0.00 2.00 1.98 0.00 3.41 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 16 N 7.53 4.48 0.00 2.12 2.43 0.00 0.00 6.87 7.54 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 17 R 7.45 4.21 0.00 1.86 1.86 0.00 3.09 0.00 0.00 3.18 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 18 I 8.64 3.65 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 1.28 0.67 0.90 0.00 0.00 19 K 7.66 4.20 0.00 1.70 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 20 R 7.79 4.55 0.00 1.78 1.84 0.00 3.35 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 21 T 8.31 4.81 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 22 G 7.90 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 23 R 9.10 3.13 0.00 1.89 1.88 0.00 3.37 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 24 L 8.13 3.60 0.00 1.80 1.68 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.51 4.52 0.00 1.72 1.83 0.00 3.24 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 26 L 7.45 5.57 0.00 1.76 1.46 1.15 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.89 4.41 0.00 3.98 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 28 V 8.30 4.86 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 1.04 0.00 0.00 0.91 0.00 0.00 29 F 10.23 5.22 0.00 3.04 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 30 R 9.22 4.96 0.00 1.87 1.85 0.00 3.43 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 31 S 8.07 4.74 0.00 3.83 3.21 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 32 L 8.49 4.04 0.00 1.64 1.81 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.94 4.53 0.00 1.66 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.36 7.81 34 H 7.48 5.22 0.00 2.88 2.56 0.00 5.68 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 6.93 4.56 1.81 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 1.36 1.29 0.79 0.00 0.00 36 Y 9.39 5.20 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 37 A 8.90 5.10 1.28 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 0.00 0.00 38 Q 9.14 4.96 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 39 I 8.58 4.78 1.98 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 1.27 1.85 0.93 0.00 0.00 40 I 8.01 4.55 1.85 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 1.22 0.74 0.95 0.00 0.00 41 D 8.91 4.94 0.00 2.74 2.53 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 0.00 0.00 0.00 0.00 42 D 8.28 4.63 0.00 2.68 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 43 E 8.31 3.97 0.00 2.13 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 0.00 2.18 2.26 0.00 44 K 7.88 4.01 0.00 1.90 1.86 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.43 7.81 45 G 7.88 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 0.00 0.00 0.00 46 V 7.64 4.47 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 1.02 0.00 0.00 0.97 0.00 0.00 47 T 8.25 5.00 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 1.36 0.00 0.00 48 L 8.68 4.62 0.00 1.49 1.69 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.31 4.70 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 1.19 0.00 0.00 0.95 0.00 0.00 50 S 8.12 5.52 0.00 3.91 3.80 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 51 A 8.12 4.60 1.23 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 52 S 8.72 4.85 0.00 3.47 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 53 S 9.49 3.74 0.00 3.61 3.54 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 54 L 7.75 4.02 0.00 1.08 1.69 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.41 4.50 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 56 L 7.99 5.73 0.00 1.69 1.89 0.92 0.72 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 57 K 8.71 3.89 0.00 1.99 0.99 0.00 1.82 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.33 7.81 58 L 8.62 3.60 0.00 1.71 1.54 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.03 3.97 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 60 G 8.46 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 0.00 0.00 0.00 61 N 7.65 5.01 0.00 2.65 2.66 0.00 0.00 7.14 6.68 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 62 K 9.24 4.01 0.00 1.78 1.42 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.36 7.81 63 T 9.29 3.79 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 1.17 0.00 0.00 64 E 8.52 3.94 0.00 2.23 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 2.31 2.29 0.00 65 V 8.10 3.78 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 0.91 0.00 0.00 0.89 0.00 0.00 66 A 7.48 4.02 1.33 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 0.00 0.00 0.00 67 R 7.81 4.35 0.00 2.16 1.82 0.00 3.30 0.00 0.00 3.14 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 68 Q 7.93 4.02 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 69 V 8.46 3.79 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 0.82 0.00 0.00 0.90 0.00 0.00 70 G 8.60 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 3.81 0.00 1.98 2.19 0.00 3.15 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 72 A 9.10 3.89 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 73 L 8.24 3.87 0.00 1.79 1.94 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 74 A 9.13 3.97 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 75 E 8.69 3.86 0.00 1.95 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 2.48 2.58 0.00 76 K 8.45 4.06 0.00 2.02 1.84 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.64 7.81 77 A 9.22 3.66 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 78 L 8.37 3.92 0.00 1.75 1.75 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.74 4.01 1.33 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 0.00 0.00 0.00 80 L 8.00 4.06 0.00 1.77 1.75 0.98 0.84 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 81 G 7.40 3.41 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 0.00 82 I 7.28 3.84 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 1.44 0.86 0.93 0.00 0.00 83 K 7.40 4.16 0.00 1.73 1.55 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.36 7.81 84 Q 8.13 4.49 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 85 V 8.34 4.75 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 0.78 0.00 0.00 1.01 0.00 0.00 86 A 8.68 4.88 1.23 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 87 F 8.87 4.79 0.00 3.07 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 88 D 6.93 4.14 0.00 2.50 1.54 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 89 R 7.97 4.25 0.00 1.98 2.24 0.00 3.55 0.00 0.00 3.51 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 90 G 9.34 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 91 P 0.00 4.69 0.00 1.94 1.69 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.12 0.00 92 Y 7.96 4.27 0.00 3.31 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 93 K 6.34 3.39 0.00 1.82 1.85 0.00 1.62 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.42 7.81 94 Y 6.00 3.66 0.00 3.07 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 95 H 8.10 4.46 0.00 3.01 3.17 0.00 6.12 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.92 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 0.00 0.00 0.00 97 R 8.30 3.72 0.00 1.95 2.15 0.00 3.11 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 98 V 7.60 3.44 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 0.57 0.00 0.00 0.31 0.00 0.00 99 K 8.46 4.57 0.00 1.87 1.87 0.00 2.14 0.00 0.00 0.61 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.57 1.60 7.81 100 A 7.41 4.32 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 0.00 101 L 7.30 4.59 0.00 1.77 1.68 1.00 0.59 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 0.00 102 A 8.08 4.61 1.09 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 0.00 0.00 103 E 9.60 3.53 0.00 2.07 1.38 0.00 0.00 0.00 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 2.24 0.00 104 G 9.07 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 0.00 105 A 8.58 4.52 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 0.00 106 R 8.01 4.52 0.00 1.86 2.06 0.00 3.53 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 107 E 7.97 3.56 0.00 2.23 1.90 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 2.25 2.28 0.00 108 G 8.25 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 0.00 0.00 0.00 *109 G 8.21 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.