NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3456 8.1733 120.0849 56.4960 34.3103 174.6762 4 I 3.8658 7.4934 120.8518 60.7705 38.0039 172.7786 5 R 5.4079 8.9315 128.7624 54.0533 32.5859 174.6559 6 I 4.8259 8.1198 118.3282 59.1361 40.9033 174.5383 7 K 4.5556 8.9284 124.9335 55.5298 34.3561 175.7763 8 L 4.7544 8.5184 122.5377 53.3519 43.4166 176.5015 9 R 4.3627 9.4061 123.5668 54.1112 33.1214 173.9923 10 G 3.8542 7.5614 108.7748 44.8735 0.0000 173.0166 11 F 5.2112 7.7679 120.5365 58.3291 43.8030 174.0641 12 D 4.4371 8.5005 119.5008 55.3479 41.5643 177.1956 13 H 4.5186 8.6624 119.1608 56.5439 29.1834 176.7801 14 K 3.9427 7.7084 121.0047 58.0489 32.7795 177.4993 15 T 4.3967 7.6635 108.6202 63.0661 69.6964 176.0918 16 L 4.0310 8.4703 122.8433 57.0376 42.0498 177.8106 17 D 4.6839 7.6670 116.9240 56.2334 41.6671 178.0758 18 A 4.0568 7.8248 121.2464 54.9391 18.3952 179.4297 19 S 4.1929 8.1554 111.1530 60.7187 63.0754 175.8315 20 A 4.2750 7.3833 124.9608 54.3484 17.1977 179.0225 21 Q 3.8016 7.9795 117.6363 58.4862 29.0536 177.9759 22 K 3.9631 7.8463 120.6942 59.4671 31.9875 179.5183 23 I 4.2488 6.9914 116.7788 61.6022 36.3609 177.1378 24 V 4.3287 8.1646 121.1573 62.7950 33.2571 176.0430 25 E 4.3355 7.7073 116.1562 56.6459 30.0796 176.4380 26 A 4.6148 8.0043 118.5946 51.6796 20.0900 176.2228 27 A 5.0344 7.6568 119.5606 53.0209 20.6040 180.3625 28 R 4.1614 8.0188 115.0518 59.4516 30.4191 178.7600 29 R 3.8878 8.1125 116.5767 59.1529 30.2084 176.7824 30 S 4.6869 8.3805 109.7251 57.4572 64.4872 171.4324 31 G 4.0014 7.3274 113.0803 44.2518 0.0000 178.0917 32 A 4.1700 8.6549 125.7723 51.7152 19.0873 178.0009 33 Q 4.3050 8.3668 118.2604 55.9962 30.3664 175.5912 34 V 4.8052 8.0459 120.9421 60.7190 34.2980 175.0980 35 S 4.1362 8.4235 122.3727 58.3819 63.1343 174.7073 36 G 3.8512 8.9125 114.0291 44.5114 0.0000 170.1105 37 P 4.3717 0.0000 0.0000 63.0265 31.7904 176.1130 38 I 4.4999 8.5945 119.7971 58.4376 39.8704 172.8743 39 P 5.0236 0.0000 0.0000 61.3157 32.1158 175.0878 40 L 4.7246 8.3741 125.2612 52.8654 42.9069 174.6036 41 P 4.2010 0.0000 0.0000 63.4718 31.2902 176.1431 42 T 3.8953 8.4336 120.1137 63.8083 68.9502 174.8547 43 R 4.2884 8.6037 126.2110 55.2152 29.8766 176.0952 44 V 3.8177 8.0379 123.3512 62.7491 32.9124 175.8299 45 R 4.5255 8.1356 125.1290 54.6603 30.7841 172.4949 46 R 4.3219 7.9617 121.3180 54.0098 32.0045 175.5413 47 F 4.9326 7.1372 114.9299 55.6162 40.8017 173.9662 48 T 4.5638 8.8105 120.3150 62.2249 69.7829 174.1875 49 V 4.4705 8.4031 126.4159 60.8937 34.4919 174.9883 50 I 3.9900 8.3572 127.8642 60.7788 36.7881 176.7190 51 R 3.8794 8.8585 126.1662 59.1437 30.4474 177.7752 52 G 3.8236 7.8891 107.6011 44.7000 0.0000 172.2756 53 P 4.7793 0.0000 0.0000 63.1622 32.8170 175.5387 54 F 5.2267 8.7123 119.3845 59.0916 40.4386 176.6739 55 K 4.4747 9.0691 111.7803 54.9578 33.1290 176.4136 56 H 4.8623 7.5533 117.2892 53.3283 29.7265 174.6228 57 K 4.1169 8.1870 120.8998 58.2749 32.4976 177.1229 58 D 4.5547 8.0043 117.5477 54.3864 42.7771 178.4990 59 S 3.6129 7.2257 111.3198 57.8501 60.3932 172.1190 60 R 4.5123 7.4154 121.1843 55.9167 32.1280 176.2826 61 E 4.5950 8.5801 120.8401 54.5766 31.8299 174.2802 62 H 4.8873 8.1910 120.9988 54.0722 31.5130 172.8656 63 F 5.1078 8.4371 120.4230 55.9679 41.7262 173.5988 64 E 4.4535 8.5279 117.6486 55.5293 32.2177 175.5002 65 L 4.3712 8.1109 125.3987 53.6126 42.1300 173.8840 66 R 4.2964 8.1565 120.8777 55.5340 30.1600 175.7926 67 T 4.4389 8.4368 120.3218 63.2214 68.6712 173.1131 68 H 4.7238 8.7571 123.7533 55.2136 29.1982 175.2451 69 N 4.9248 8.6485 121.1476 52.8068 40.3019 174.5192 70 R 4.6035 7.8870 117.0668 55.8085 34.4241 172.9825 71 L 5.1009 8.7181 126.4723 53.3416 45.6093 175.2584 72 V 4.8522 8.2903 122.6512 61.3793 35.2655 173.7327 73 D 5.1692 8.5902 124.7406 52.3499 45.0893 174.6696 74 I 4.6050 7.8031 112.3080 59.0370 39.3482 175.5914 75 I 3.9191 8.5075 120.7547 63.2953 38.0415 176.2913 76 N 4.9253 7.8767 119.5007 50.8049 41.6166 172.5424 77 P 4.5672 0.0000 0.0000 61.3124 29.9857 175.4597 78 N 4.5352 8.1177 124.1687 54.1776 39.3317 175.4617 79 R 4.8703 8.4082 118.3105 56.6013 30.2018 177.2241 80 K 4.3896 7.7451 117.6340 58.4981 33.7829 178.0947 81 T 4.1025 7.6652 110.5843 64.0780 68.3489 176.2119 82 I 3.6190 7.2935 122.8162 64.1618 36.9694 177.2008 83 E 4.2201 7.7678 117.1805 57.4913 28.6232 177.7091 84 Q 4.2746 7.6422 117.2408 58.9795 29.4940 177.6481 85 L 3.9506 8.6470 120.1826 58.1667 41.7864 179.3496 86 M 4.0887 7.6090 116.7765 57.8229 32.2162 176.6218 87 T 4.4457 7.2589 106.3821 61.2872 70.2909 174.7106 88 L 4.4007 7.5534 125.3935 53.4127 40.7330 174.1025 89 D 4.6924 7.8719 118.6851 52.5389 41.4194 176.6728 90 L 4.7665 8.1028 127.6261 52.3841 41.9533 173.5702 91 P 4.8892 0.0000 0.0000 61.2412 33.8803 175.5495 92 T 4.3900 8.6366 115.0600 63.3497 68.6968 175.5734 93 G 4.2451 7.8318 107.3591 45.1999 0.0000 171.6977 94 V 4.4807 7.8262 118.1335 60.6206 34.4319 174.1180 95 E 4.9269 8.6397 125.0898 54.4702 33.2989 174.6268 96 I 5.4891 8.0214 117.3058 60.0282 40.5346 174.0838 97 E 4.6760 8.7338 125.4870 54.9551 32.6894 174.8609 98 I 4.9666 8.0426 120.5117 60.2558 40.6938 174.7574 99 K 4.9158 9.9020 128.7903 55.1652 36.4460 175.2997 100 T 4.8533 8.3055 113.7239 61.2984 70.2036 174.6452 *101 V 3.9054 8.3503 122.8437 60.8653 32.3498 172.0716 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 3 K 8.17 4.35 0.00 1.73 1.82 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.70 7.81 4 I 7.49 3.87 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 1.23 1.26 0.91 0.00 0.00 5 R 8.93 5.41 0.00 1.88 1.77 0.00 3.07 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 6 I 8.12 4.83 1.91 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 1.22 0.93 0.91 0.00 0.00 7 K 8.93 4.56 0.00 1.76 1.74 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.54 7.81 8 L 8.52 4.75 0.00 1.73 1.53 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 R 9.41 4.36 0.00 1.71 1.80 0.00 3.08 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.55 0.00 10 G 7.56 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 11 F 7.77 5.21 0.00 3.02 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 12 D 8.50 4.44 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.66 4.52 0.00 3.19 3.09 0.00 5.45 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.71 3.94 0.00 1.55 1.79 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.36 7.81 15 T 7.66 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 1.21 0.00 0.00 16 L 8.47 4.03 0.00 1.82 1.79 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.67 4.68 0.00 3.07 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 18 A 7.82 4.06 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 19 S 8.16 4.19 0.00 4.04 4.05 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 20 A 7.38 4.27 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 21 Q 7.98 3.80 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 22 K 7.85 3.96 0.00 1.98 1.80 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.64 7.81 23 I 6.99 4.25 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 1.18 0.81 0.91 0.00 0.00 24 V 8.16 4.33 2.24 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 0.80 0.00 0.00 1.02 0.00 0.00 25 E 7.71 4.34 0.00 2.02 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 2.28 2.43 0.00 26 A 8.00 4.61 1.24 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 27 A 7.66 5.03 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 28 R 8.02 4.16 0.00 1.89 1.98 0.00 3.15 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 1.72 1.87 0.00 29 R 8.11 3.89 0.00 1.76 1.98 0.00 3.22 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 30 S 8.38 4.69 0.00 4.23 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 31 G 7.33 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 32 A 8.65 4.17 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 33 Q 8.37 4.30 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 34 V 8.05 4.81 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 0.87 0.00 0.00 0.97 0.00 0.00 35 S 8.42 4.14 0.00 3.96 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 36 G 8.91 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 37 P 0.00 4.37 0.00 1.95 2.05 0.00 3.65 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 2.03 2.09 0.00 38 I 8.59 4.50 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 1.47 0.68 0.95 0.00 0.00 39 P 0.00 5.02 0.00 2.10 2.12 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 40 L 8.37 4.72 0.00 1.67 1.71 0.92 0.70 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 41 P 0.00 4.20 0.00 2.19 2.13 0.00 3.77 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 1.99 2.00 0.00 42 T 8.43 3.90 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 1.06 0.00 0.00 43 R 8.60 4.29 0.00 1.78 1.91 0.00 3.28 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 44 V 8.04 3.82 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 0.65 0.00 0.00 0.89 0.00 0.00 45 R 8.14 4.53 0.00 2.05 1.75 0.00 3.61 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 46 R 7.96 4.32 0.00 1.56 1.58 0.00 3.08 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 47 F 7.14 4.93 0.00 3.03 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 48 T 8.81 4.56 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 1.21 0.00 0.00 49 V 8.40 4.47 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 1.06 0.00 0.00 1.03 0.00 0.00 50 I 8.36 3.99 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 1.43 1.09 0.94 0.00 0.00 51 R 8.86 3.88 0.00 1.89 2.05 0.00 3.38 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 52 G 7.89 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 0.00 0.00 0.00 53 P 0.00 4.78 0.00 2.26 2.21 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 54 F 8.71 5.23 0.00 2.90 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 55 K 9.07 4.47 0.00 1.35 1.38 0.00 0.97 0.00 0.00 1.28 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.69 0.21 7.81 56 H 7.55 4.86 0.00 3.15 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.19 4.12 0.00 1.72 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.38 7.81 58 D 8.00 4.55 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 59 S 7.23 3.61 0.00 4.00 4.07 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 60 R 7.42 4.51 0.00 1.98 1.95 0.00 2.98 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 61 E 8.58 4.60 0.00 1.97 1.60 0.00 0.00 0.00 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 2.01 0.00 62 H 8.19 4.89 0.00 3.13 3.10 0.00 5.56 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 63 F 8.44 5.11 0.00 3.20 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 64 E 8.53 4.45 0.00 1.79 1.75 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 2.17 2.27 0.00 65 L 8.11 4.37 0.00 1.88 1.63 0.60 1.61 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 66 R 8.16 4.30 0.00 1.77 1.76 0.00 3.29 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 67 T 8.44 4.44 4.46 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 1.23 0.00 0.00 68 H 8.76 4.72 0.00 3.18 3.33 0.00 5.89 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 69 N 8.65 4.92 0.00 2.62 2.76 0.00 0.00 6.95 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 70 R 7.89 4.60 0.00 1.81 1.70 0.00 3.04 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 71 L 8.72 5.10 0.00 1.75 1.42 0.98 0.91 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 72 V 8.29 4.85 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 0.92 0.00 0.00 0.93 0.00 0.00 73 D 8.59 5.17 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 4.60 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 1.38 0.93 0.91 0.00 0.00 75 I 8.51 3.92 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 1.32 0.59 0.93 0.00 0.00 76 N 7.88 4.93 0.00 2.62 2.67 0.00 0.00 6.97 7.69 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 77 P 0.00 4.57 0.00 2.21 2.07 0.00 3.82 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 1.96 1.98 0.00 78 N 8.12 4.54 0.00 2.83 2.86 0.00 0.00 7.01 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 79 R 8.41 4.87 0.00 1.80 1.93 0.00 3.32 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 1.61 1.55 0.00 80 K 7.75 4.39 0.00 1.83 1.85 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.72 7.81 81 T 7.67 4.10 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 1.24 0.00 0.00 82 I 7.29 3.62 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 1.53 0.99 0.91 0.00 0.00 83 E 7.77 4.22 0.00 1.91 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 2.32 2.34 0.00 84 Q 7.64 4.27 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 85 L 8.65 3.95 0.00 1.64 1.70 0.92 0.43 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 86 M 7.61 4.09 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 87 T 7.26 4.45 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 1.24 0.00 0.00 88 L 7.55 4.40 0.00 1.84 1.62 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.87 4.69 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.77 0.00 1.52 1.53 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.89 0.00 2.31 2.00 0.00 3.81 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 92 T 8.64 4.39 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 93 G 7.83 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 94 V 7.83 4.48 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 0.85 0.00 0.00 0.93 0.00 0.00 95 E 8.64 4.93 0.00 2.02 1.64 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 2.13 2.22 0.00 96 I 8.02 5.49 1.87 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 1.34 1.31 0.95 0.00 0.00 97 E 8.73 4.68 0.00 1.89 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 2.30 2.25 0.00 98 I 8.04 4.97 1.87 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 1.34 0.46 0.91 0.00 0.00 99 K 9.90 4.92 0.00 1.63 1.70 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.48 7.81 100 T 8.31 4.85 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 *101 V 8.35 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.