NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3461 8.2549 119.0549 55.3870 32.2240 175.4103 8 P 2.9700 0.0000 0.0000 60.8970 32.7724 173.8679 9 N 5.0631 8.6004 118.9239 52.1792 43.3041 173.8755 10 H 4.5079 8.9590 118.5930 58.2869 30.2014 175.3016 11 T 5.3275 8.2456 115.5288 61.6792 70.7824 173.6833 12 I 4.8527 8.5888 118.8178 59.3578 40.6957 173.7259 13 Y 4.5454 9.0718 126.9196 56.2460 40.3022 174.0229 14 I 4.6716 7.5448 128.1557 59.4992 40.0644 174.7762 15 N 5.0007 8.0571 123.5490 51.5196 41.1876 174.0107 16 N 4.4197 8.6970 114.9794 54.9193 37.2117 174.2371 17 L 4.5566 7.4302 114.6493 52.8097 42.9387 176.3599 18 N 4.4106 8.6069 119.9396 53.9820 39.2180 174.8687 19 E 4.2944 8.6052 124.0615 57.2465 30.1919 177.2800 20 K 4.1149 8.3008 117.7569 57.4832 32.5076 176.9052 21 I 4.0329 7.1672 120.5233 59.4500 38.2970 176.4104 22 K 4.1620 8.2564 124.6136 56.3017 34.6836 177.5282 23 K 3.7313 8.6503 121.1125 60.4487 32.1002 178.3831 24 D 4.4146 8.0140 117.1760 56.8603 41.2716 177.7189 25 E 3.9985 8.1217 119.8117 59.1216 29.8142 178.3307 26 L 4.2279 8.0107 120.5328 58.0666 41.6580 178.8648 27 K 4.0436 8.0503 119.4063 59.2864 31.9923 178.7815 28 K 4.2456 8.1576 118.2800 58.9158 31.8555 179.3579 29 S 4.4164 8.4221 115.5820 61.2609 62.8033 176.5455 30 L 4.1717 8.2589 121.9878 57.8568 41.2528 178.8221 31 H 4.2437 8.2194 117.0372 58.9939 29.5470 177.0982 32 A 4.0542 7.8630 122.1751 54.4395 18.3364 178.7037 33 I 4.0402 7.2061 114.2926 63.3072 38.4611 177.7201 34 F 4.7808 8.2623 116.8590 58.7921 37.3857 177.6217 35 S 4.3377 8.0033 115.2531 60.8067 62.5907 176.6196 36 R 4.0322 7.2663 119.2415 59.3287 29.3105 178.0475 37 F 4.1882 7.7912 116.8306 58.4984 39.1077 175.4872 38 G 4.3995 7.1912 108.3697 44.6038 0.0000 171.9963 39 Q 4.2763 8.0172 118.3264 56.1675 29.8064 175.0932 40 I 4.1757 8.3020 124.2650 60.5591 38.0082 175.7294 41 L 4.2597 9.0184 127.9595 57.3739 42.1946 176.8363 42 D 4.6705 7.7148 116.0055 53.1236 44.7856 173.5459 43 I 4.7890 8.0928 125.2530 59.5854 39.6068 175.1869 44 L 4.5689 8.8943 128.1850 53.3957 42.8845 175.4327 45 V 4.7082 8.3567 123.9980 60.9593 33.4031 174.7465 46 S 4.7937 8.7229 120.8029 56.6889 65.4795 173.5333 47 R 4.6493 8.4281 123.5455 55.8921 30.5997 175.8686 48 S 4.4347 7.5874 110.3043 57.1270 63.9625 174.6605 49 L 3.9021 8.6716 123.2851 58.3300 41.6051 178.4233 50 K 4.2027 7.9907 117.0129 58.3093 32.4141 176.7342 51 M 4.8605 7.3362 115.2962 54.5548 33.3307 175.8505 52 R 4.2812 7.5228 115.6090 56.4387 30.5904 176.4637 53 G 3.9303 8.8461 106.6489 46.5363 0.0000 172.7548 54 Q 4.9925 7.8450 115.7973 53.8482 32.9786 174.3899 55 A 4.7757 8.3401 121.4481 50.7301 23.4256 175.6402 56 F 5.0623 8.7436 117.6737 54.4674 41.8801 173.5346 57 V 3.9830 7.9969 123.9608 61.7677 33.0596 174.4229 58 I 4.6399 8.3963 129.8256 59.9248 38.3995 175.0729 59 F 4.8267 8.6905 126.4869 56.1356 39.7738 176.7553 60 K 4.1832 8.5932 121.8081 58.5056 32.0727 177.7207 61 E 4.8715 8.0052 117.1527 54.2597 33.5541 177.1334 62 V 3.6538 8.1822 121.0708 65.8556 31.5793 178.4067 63 S 4.0791 8.0264 112.7815 61.5174 62.1051 176.1880 64 S 4.0009 7.9675 117.0873 61.1220 62.4775 176.3073 65 A 3.5319 7.3715 122.9696 55.0684 18.1979 179.9070 66 T 3.8852 8.0172 114.3471 66.9387 68.5526 176.8609 67 N 4.3028 7.8131 118.2851 56.1728 38.5527 177.3803 68 A 2.5800 7.1212 122.3891 54.2181 17.9593 179.4700 69 L 3.7837 7.2993 119.0024 58.2001 41.8715 179.4570 70 R 4.0977 7.5324 117.0381 59.1031 30.1417 178.7350 71 S 4.3658 7.5840 113.5213 61.0383 63.4277 175.6580 72 M 4.3877 7.4728 118.4349 53.7775 31.8447 175.6143 73 Q 4.0320 6.9863 122.4147 57.5157 29.3277 176.2301 74 G 3.8936 8.6794 112.9916 45.9984 0.0000 172.6366 75 F 4.2890 8.1594 123.1101 56.5283 39.6842 172.8504 76 P 4.2466 0.0000 0.0000 62.7034 31.1878 175.7204 77 F 4.5835 8.9760 126.2551 57.2001 41.7211 174.2597 78 Y 3.6134 8.5371 127.8010 59.4613 34.7995 170.8539 79 D 4.4648 8.1112 114.3982 54.5827 39.6208 174.3089 80 K 4.7635 7.6140 119.2782 53.4985 35.6272 173.9292 81 P 4.7175 0.0000 0.0000 63.1094 32.0948 176.3384 82 M 4.3962 8.8609 123.6385 55.2299 33.8619 175.6417 83 R 4.5995 8.5361 120.7640 54.9523 32.7954 173.6928 84 I 4.8287 8.2904 127.7760 59.7639 39.1166 175.3376 85 Q 4.6556 9.2987 124.7880 54.0187 33.3523 174.1682 86 Y 4.7960 8.4351 117.1271 57.4572 39.1764 175.6844 87 A 4.3114 8.7329 126.4702 52.5087 18.5485 178.8368 88 K 4.0631 9.0879 124.6847 56.9976 32.0152 174.4886 89 T 4.7902 7.4303 106.7463 58.9422 71.6819 173.1401 90 D 4.5434 8.3402 121.5782 54.2175 41.6290 177.5702 91 S 4.3958 8.3786 118.4873 58.1729 65.1006 175.4310 92 D 4.4162 8.4603 123.2872 57.6198 40.3727 178.9800 93 I 3.7696 7.6975 117.7220 63.2509 38.0756 177.2855 94 I 4.0392 7.4872 119.0884 63.6217 37.8025 177.4701 95 A 4.1925 8.4484 122.9419 54.6092 18.2306 178.1420 96 K 4.1575 7.8385 122.6873 54.7140 32.5867 178.9469 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 *7 R 8.25 4.35 0.00 1.85 1.73 0.00 3.23 0.00 0.00 3.22 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.83 1.49 0.00 3.41 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 9 N 8.60 5.06 0.00 2.67 3.00 0.00 0.00 7.06 7.89 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 10 H 8.96 4.51 0.00 3.26 3.63 0.00 5.83 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.25 5.33 4.41 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 1.50 0.00 0.00 12 I 8.59 4.85 1.79 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 0.93 0.00 0.00 13 Y 9.07 4.55 0.00 2.97 2.82 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 14 I 7.54 4.67 1.56 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.37 0.79 0.00 0.00 15 N 8.06 5.00 0.00 2.60 2.47 0.00 0.00 6.27 6.49 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 16 N 8.70 4.42 0.00 2.85 2.94 0.00 0.00 6.86 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.43 4.56 0.00 1.74 1.69 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.61 4.41 0.00 2.70 2.57 0.00 0.00 7.02 7.65 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 19 E 8.61 4.29 0.00 1.97 1.95 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 2.33 2.47 0.00 20 K 8.30 4.11 0.00 2.05 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 7.17 4.03 1.37 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.17 0.61 0.00 0.00 22 K 8.26 4.16 0.00 1.96 1.91 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 23 K 8.65 3.73 0.00 1.81 1.88 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.54 1.49 7.81 24 D 8.01 4.41 0.00 2.84 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 25 E 8.12 4.00 0.00 2.09 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 2.50 2.43 0.00 26 L 8.01 4.23 0.00 1.94 1.88 1.21 0.42 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 27 K 8.05 4.04 0.00 2.11 2.00 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.50 7.81 28 K 8.16 4.25 0.00 1.96 1.90 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.26 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.68 7.81 29 S 8.42 4.42 0.00 4.39 4.33 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 30 L 8.26 4.17 0.00 1.85 1.73 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.22 4.24 0.00 3.45 3.46 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.86 4.05 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 I 7.21 4.04 1.57 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 0.37 0.00 0.00 34 F 8.26 4.78 0.00 3.23 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 35 S 8.00 4.34 0.00 4.02 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 36 R 7.27 4.03 0.00 1.80 1.87 0.00 2.21 0.00 0.00 2.74 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.00 37 F 7.79 4.19 0.00 3.17 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 38 G 7.19 4.40 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 0.00 39 Q 8.02 4.28 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 40 I 8.30 4.18 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.61 0.75 0.00 0.00 41 L 9.02 4.26 0.00 1.55 1.71 0.94 1.01 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 42 D 7.71 4.67 0.00 2.67 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 0.00 0.00 0.00 0.00 43 I 8.09 4.79 1.87 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 1.09 0.71 0.88 0.00 0.00 44 L 8.89 4.57 0.00 1.79 1.73 0.98 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 45 V 8.36 4.71 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 0.80 0.00 0.00 0.97 0.00 0.00 46 S 8.72 4.79 0.00 3.89 3.70 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 47 R 8.43 4.65 0.00 1.75 1.84 0.00 3.31 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 48 S 7.59 4.43 0.00 4.11 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 49 L 8.67 3.90 0.00 1.61 1.78 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.99 4.20 0.00 1.78 1.85 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 51 M 7.34 4.86 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 52 R 7.52 4.28 0.00 1.94 2.06 0.00 3.18 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 53 G 8.85 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 0.00 0.00 0.00 54 Q 7.84 4.99 0.00 2.09 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.07 2.42 0.00 55 A 8.34 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.74 5.06 0.00 3.01 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 57 V 8.00 3.98 1.65 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 0.21 0.00 0.00 0.42 0.00 0.00 58 I 8.40 4.64 1.90 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 1.27 0.45 0.94 0.00 0.00 59 F 8.69 4.83 0.00 3.15 3.08 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 0.00 0.00 0.00 60 K 8.59 4.18 0.00 1.85 1.93 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.46 7.81 61 E 8.01 4.87 0.00 2.03 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 2.36 2.30 0.00 62 V 8.18 3.65 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 0.98 0.00 0.00 0.64 0.00 0.00 63 S 8.03 4.08 0.00 3.92 3.84 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 0.00 0.00 0.00 64 S 7.97 4.00 0.00 3.92 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 65 A 7.37 3.53 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 66 T 8.02 3.89 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 1.31 0.00 0.00 67 N 7.81 4.30 0.00 2.69 3.01 0.00 0.00 6.96 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 68 A 7.12 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.30 3.78 0.00 1.53 1.61 -0.15 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.53 4.10 0.00 1.81 1.94 0.00 3.34 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 71 S 7.58 4.37 0.00 3.92 4.01 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 72 M 7.47 4.39 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.15 0.00 73 Q 6.99 4.03 0.00 2.36 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.29 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 74 G 8.68 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 75 F 8.16 4.29 0.00 3.06 3.04 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 76 P 0.00 4.25 0.00 1.67 1.82 0.00 2.88 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 1.80 1.92 0.00 77 F 8.98 4.58 0.00 3.07 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 78 Y 8.54 3.61 0.00 2.95 2.77 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 79 D 8.11 4.46 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.61 4.76 0.00 1.81 1.86 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 81 P 0.00 4.72 0.00 2.08 2.06 0.00 3.77 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 1.99 2.00 0.00 82 M 8.86 4.40 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.60 0.00 83 R 8.54 4.60 0.00 1.80 1.96 0.00 3.18 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 84 I 8.29 4.83 1.79 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 1.19 0.73 0.78 0.00 0.00 85 Q 9.30 4.66 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 86 Y 8.44 4.80 0.00 2.92 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 87 A 8.73 4.31 1.56 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 0.00 0.00 88 K 9.09 4.06 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.01 7.81 89 T 7.43 4.79 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 1.20 0.00 0.00 90 D 8.34 4.54 0.00 2.69 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 91 S 8.38 4.40 0.00 3.87 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 92 D 8.46 4.42 0.00 2.72 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 93 I 7.70 3.77 1.85 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 1.63 0.73 0.90 0.00 0.00 94 I 7.49 4.04 1.84 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 1.56 0.96 0.72 0.00 0.00 95 A 8.45 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 96 K 7.84 4.16 0.00 1.78 1.53 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.