NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1350 8.2644 123.5860 51.7466 19.8921 178.9720 *2 K 4.1110 8.5224 122.3277 58.7182 33.4968 173.0566 3 V 4.8195 8.3599 126.6053 60.9636 34.5055 173.7192 4 K 5.0864 9.4633 129.4006 54.5825 35.3781 174.4382 5 I 5.1899 8.6867 126.5909 59.6025 41.4663 173.2553 6 Y 4.9317 9.2635 127.7441 57.2061 39.3514 174.9106 7 T 5.1418 9.0291 113.6208 60.5075 73.1881 172.2883 8 R 4.7899 8.2631 116.5854 54.6135 32.6580 174.5389 9 N 4.4138 10.3861 118.3825 53.8958 39.4156 175.7721 10 G 3.8694 8.9540 107.9680 46.0833 0.0000 173.9165 11 C 4.6959 7.4284 120.1837 55.2729 31.9321 172.0917 12 P 3.8156 0.0000 0.0000 65.3092 30.9787 177.3102 13 Y 3.9542 7.6641 114.6358 60.6899 37.9427 177.7695 14 C 4.2394 8.1562 118.2750 62.6186 28.0951 176.1653 15 V 3.4774 7.4020 119.4292 65.7313 31.1551 178.0373 16 W 4.6158 7.6881 118.4853 59.6410 28.6847 178.2386 17 A 4.4496 8.3816 120.9655 55.4160 17.8030 179.8647 18 K 3.8256 8.0980 116.5100 59.6065 32.1632 179.1571 19 Q 4.1038 8.5887 120.1826 59.0926 28.7871 178.3032 20 W 4.3311 8.3938 130.4513 60.0479 30.6477 177.9728 21 F 4.1467 8.1293 117.6980 60.4827 38.2773 177.5601 22 E 4.1490 8.7445 118.6342 59.4975 29.5627 179.2043 23 E 4.0735 8.7920 117.1261 58.2758 29.3393 177.5661 24 N 4.5548 7.1993 116.1610 51.6124 39.5258 174.1952 25 N 4.1420 8.1053 117.1049 54.6100 36.7482 174.8462 26 I 4.4373 7.9612 117.6851 59.1883 39.0090 176.4616 27 A 4.2083 8.5527 129.0889 52.3066 18.9595 176.0747 28 F 5.0324 7.5667 114.6076 55.6558 41.1459 172.8191 29 D 4.7118 9.1636 121.0577 52.8831 42.7410 174.4651 30 E 5.0979 8.7597 126.7149 54.7629 31.9544 174.7409 31 T 4.4460 8.4813 123.5426 61.8666 71.0417 173.0326 32 I 4.7411 8.2050 127.4187 59.1566 38.8574 175.8001 33 I 4.3276 8.6793 128.5088 59.7175 37.6493 174.9547 34 D 4.4756 8.6121 127.1142 56.2745 41.7253 177.8534 35 D 4.4535 7.9416 119.1957 53.9150 42.2864 175.6305 36 Y 4.0198 8.8379 127.6660 60.9266 38.8364 178.1376 37 A 3.8234 8.1310 120.9139 55.3011 18.6085 179.4003 38 Q 3.8714 8.2155 116.5452 59.0355 28.6760 179.2050 39 R 3.6737 7.8434 119.6845 59.2690 30.0794 178.2138 40 S 3.8286 7.6272 113.1920 61.5237 62.1749 176.4925 41 K 3.9416 7.9963 121.0258 59.1338 31.4926 179.2251 42 F 4.1092 7.7985 120.3866 61.3366 39.2195 176.4655 43 Y 4.1726 7.8902 116.7186 61.2572 37.7045 178.4204 44 D 4.4407 8.2599 120.0167 57.0738 40.8004 178.9003 45 E 4.2649 8.0565 116.9757 56.9306 29.4392 178.5518 *47 N 4.6173 8.1749 118.9932 54.4113 40.6367 177.0247 48 Q 3.8339 8.5666 116.7489 58.1347 28.8258 177.2022 49 S 4.4452 7.7521 110.1095 57.1553 64.1591 173.8435 50 G 3.8190 7.2511 108.8758 47.0867 0.0000 174.3187 51 K 4.4302 8.0310 115.1232 55.8638 33.0298 176.8487 52 V 4.2946 7.2688 111.8430 59.2076 34.4604 175.5438 53 I 4.0019 7.9021 113.6119 62.0363 38.1055 175.3850 54 F 4.9082 6.5972 114.1743 54.6915 40.4583 171.9642 55 P 4.5607 0.0000 0.0000 62.5528 31.6477 176.1750 56 I 4.6148 8.7421 116.9656 59.5924 39.5475 176.1740 57 S 3.4350 7.9702 113.4108 58.3988 64.5002 173.1574 58 T 4.8638 7.0589 108.9253 59.7438 71.6984 172.6141 59 V 4.9523 8.2258 114.3411 58.6342 35.3122 173.9834 60 P 5.5552 0.0000 0.0000 62.7003 33.0593 175.0662 61 Q 5.2307 8.9588 119.1987 54.4079 32.5840 174.1947 62 I 5.2000 8.8896 124.4280 59.5449 40.8998 174.5041 63 F 5.2164 9.7017 124.8467 55.7189 42.4652 174.0255 64 I 4.8987 8.6591 124.1003 60.0975 39.8915 175.8217 65 D 4.4230 10.0811 128.3359 55.6756 38.8592 174.3750 66 D 4.6948 8.3485 114.1799 54.6932 39.1720 173.9230 67 E 4.6764 8.3319 120.6981 54.3326 31.0314 175.0529 68 H 3.7799 8.8527 124.3421 56.0634 30.2519 174.6348 69 I 4.0758 7.8120 119.6197 59.6911 39.7868 174.9759 70 G 3.8145 7.0726 106.2738 44.3363 0.0000 170.7725 71 G 4.7806 9.3418 111.8756 45.9073 0.0000 174.4126 72 F 4.2010 9.0228 120.3377 61.5609 39.5788 178.1480 73 T 3.5989 7.8495 109.0240 64.8721 68.4816 176.1425 74 E 3.8564 7.9942 120.9409 58.6522 29.2992 178.6628 75 L 3.5661 7.6078 119.7232 58.0617 42.4504 178.7901 76 K 3.4979 7.2632 117.8241 59.4397 31.7600 179.2636 77 A 3.9801 7.6228 119.1395 54.0872 18.5135 178.3633 78 N 4.6873 7.6149 113.0660 52.9465 38.9126 176.5211 79 A 3.5383 7.4027 124.5097 55.2410 18.4500 179.8767 80 D 4.3769 8.0652 116.7960 57.5274 40.7279 178.9899 81 K 3.9571 7.8999 118.0731 59.4890 32.6250 178.2268 82 I 3.9631 7.8436 120.1100 64.6549 37.1267 178.2747 83 L 4.1587 8.4483 119.7988 57.9303 41.2935 178.6479 84 N 4.7332 8.0152 112.6897 53.8355 38.5857 176.1848 85 K 4.5253 7.8178 118.9683 55.4413 33.2768 175.9385 86 K 4.0616 7.9240 126.1012 57.0093 32.0816 175.8377 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 0 A 8.26 4.14 1.05 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 0.00 0.00 *2 K 8.52 4.11 0.00 1.91 1.79 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.46 7.81 3 V 8.36 4.82 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 0.38 0.00 0.00 0.97 0.00 0.00 4 K 9.46 5.09 0.00 1.77 1.66 0.00 1.50 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.92 1.28 7.81 5 I 8.69 5.19 1.82 0.00 0.00 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 1.27 1.71 0.88 0.00 0.00 6 Y 9.26 4.93 0.00 3.04 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.03 5.14 4.28 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 1.26 0.00 0.00 8 R 8.26 4.79 0.00 1.93 2.02 0.00 3.12 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 9 N 10.39 4.41 0.00 2.86 2.78 0.00 0.00 7.05 7.53 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 10 G 8.95 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 11 C 7.43 4.70 0.00 2.96 2.99 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 12 P 0.00 3.82 0.00 1.73 1.72 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 13 Y 7.66 3.95 0.00 3.10 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.16 4.24 0.00 3.07 3.02 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 15 V 7.40 3.48 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 0.59 0.00 0.00 0.71 0.00 0.00 16 W 7.69 4.62 0.00 2.75 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 17 A 8.38 4.45 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.10 3.83 0.00 2.07 1.99 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.22 1.66 7.81 19 Q 8.59 4.10 0.00 2.36 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 20 W 8.39 4.33 0.00 3.53 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.13 4.15 0.00 3.04 3.48 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 22 E 8.74 4.15 0.00 2.27 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 0.00 2.67 2.94 0.00 23 E 8.79 4.07 0.00 2.09 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 0.00 2.45 2.10 0.00 24 N 7.20 4.55 0.00 2.01 2.40 0.00 0.00 7.09 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 25 N 8.11 4.14 0.00 2.80 2.86 0.00 0.00 6.76 7.42 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 26 I 7.96 4.44 2.32 0.00 0.00 1.00 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 0.80 1.22 0.00 0.00 27 A 8.55 4.21 1.21 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 28 F 7.57 5.03 0.00 2.89 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 29 D 9.16 4.71 0.00 2.73 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.76 5.10 0.00 2.32 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 2.19 2.34 0.00 31 T 8.48 4.45 3.60 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 0.00 0.00 1.13 0.00 0.00 32 I 8.20 4.74 1.85 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 0.93 0.91 0.00 0.00 33 I 8.68 4.33 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.51 0.85 0.00 0.00 34 D 8.61 4.48 0.00 2.67 2.73 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 0.00 0.00 0.00 35 D 7.94 4.45 0.00 2.79 2.54 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 36 Y 8.84 4.02 0.00 3.16 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 37 A 8.13 3.82 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 38 Q 8.22 3.87 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 39 R 7.84 3.67 0.00 1.83 1.58 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.38 0.00 40 S 7.63 3.83 0.00 3.14 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 41 K 8.00 3.94 0.00 1.97 1.82 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.60 7.81 42 F 7.80 4.11 0.00 2.86 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 43 Y 7.89 4.17 0.00 3.05 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 44 D 8.26 4.44 0.00 2.81 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 45 E 8.06 4.26 0.00 2.15 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 0.00 2.35 2.23 0.00 *47 N 8.17 4.62 0.00 2.80 2.91 0.00 0.00 7.02 7.74 0.00 0.00 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 Q 8.57 3.83 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 49 S 7.75 4.45 0.00 3.91 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 50 G 7.25 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 51 K 8.03 4.43 0.00 1.77 1.94 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.43 7.81 52 V 7.27 4.29 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 0.42 0.00 0.00 0.86 0.00 0.00 53 I 7.90 4.00 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.03 0.81 0.00 0.00 54 F 6.60 4.91 0.00 3.04 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 55 P 0.00 4.56 0.00 2.08 2.03 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 56 I 8.74 4.61 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.47 1.01 0.00 0.00 57 S 7.97 3.43 0.00 3.75 3.72 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 58 T 7.06 4.86 4.32 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 1.20 0.00 0.00 59 V 8.23 4.95 2.43 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 1.15 0.00 0.00 1.11 0.00 0.00 60 P 0.00 5.56 0.00 2.30 2.33 0.00 3.98 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 2.29 2.23 0.00 61 Q 8.96 5.23 0.00 2.43 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 62 I 8.89 5.20 2.03 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.04 1.06 0.00 0.00 63 F 9.70 5.22 0.00 2.95 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 64 I 8.66 4.90 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 1.01 0.00 0.00 65 D 10.08 4.42 0.00 2.77 2.73 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 0.00 0.00 0.00 66 D 8.35 4.69 0.00 2.91 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 67 E 8.33 4.68 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 68 H 8.85 3.78 0.00 2.69 2.93 0.00 5.71 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 69 I 7.81 4.08 1.76 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 1.33 0.70 0.89 0.00 0.00 70 G 7.07 3.81 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 0.00 0.00 0.00 71 G 9.34 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 9.02 4.20 0.00 3.20 3.10 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 73 T 7.85 3.60 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 1.13 0.00 0.00 74 E 7.99 3.86 0.00 2.16 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 2.59 2.42 0.00 75 L 7.61 3.57 0.00 1.52 1.47 0.20 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.26 3.50 0.00 1.60 1.55 0.00 0.62 0.00 0.00 0.97 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.09 0.52 7.81 77 A 7.62 3.98 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 78 N 7.61 4.69 0.00 2.67 2.72 0.00 0.00 6.73 7.39 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 79 A 7.40 3.54 1.10 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 0.00 0.00 80 D 8.07 4.38 0.00 2.70 2.76 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 0.00 0.00 0.00 81 K 7.90 3.96 0.00 1.73 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.61 7.81 82 I 7.84 3.96 2.20 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.63 1.29 0.00 0.00 83 L 8.45 4.16 0.00 2.02 1.79 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.02 4.73 0.00 2.88 2.88 0.00 0.00 6.92 7.62 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 85 K 7.82 4.53 0.00 1.93 1.87 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 86 K 7.92 4.06 0.00 1.99 1.76 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.27 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.