NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 N 4.7157 8.4244 119.2162 52.8659 40.9069 174.5511 -6 L 4.1968 7.9635 117.9259 54.5578 43.2705 174.3026 -5 Y 5.1697 7.7798 114.8886 54.8636 41.9992 173.5029 -4 F 4.9414 8.9264 126.1699 57.2112 40.2127 175.1454 -3 Q 4.1434 8.0237 127.5285 55.1375 29.0465 175.9381 -2 S 4.5898 8.0486 120.0112 56.9134 65.1750 173.6577 -1 N 5.0076 8.5216 115.5624 51.9833 41.0569 172.9307 0 A 4.4641 7.2534 123.5267 51.9319 26.1318 177.8948 -5 K 4.9397 7.9498 114.9886 53.1636 37.2992 174.2029 -4 T 4.6714 8.7764 119.4699 61.3112 70.4127 174.0454 -3 L 4.1434 7.8637 129.5285 54.5375 42.0465 177.5381 -2 K 4.4398 8.0286 124.7112 54.8134 34.4750 175.6577 -1 E 4.6176 8.5416 117.0624 55.4833 32.0569 174.3307 0 L 4.4841 7.1734 121.5267 54.5319 49.4318 177.6948 8 R 4.1619 7.8408 118.2790 59.7839 30.3126 178.5433 9 T 4.0341 7.8757 108.8976 64.6012 68.7402 176.0430 10 D 4.2745 8.1664 120.7425 56.6631 40.8639 177.1079 11 Y 4.4976 7.9090 113.5966 56.4509 39.0363 175.3339 12 G 3.8684 7.8624 107.5695 46.7028 0.0000 174.0688 13 L 4.7506 7.7179 117.8917 53.4047 43.6977 177.4677 14 T 4.4936 8.6202 112.0376 60.6186 71.7084 175.8397 15 Q 3.9969 8.6143 120.7445 59.2601 28.6830 179.4606 16 K 3.9975 7.9054 121.1464 58.9690 32.2476 178.5177 17 E 3.8996 8.3055 118.8662 59.4019 29.4389 179.1757 18 L 3.6500 8.1003 120.5373 57.8706 42.1024 178.6771 19 G 3.7773 8.3669 106.0159 47.8740 0.0000 175.0297 20 D 4.3824 8.4081 121.6414 56.7519 41.0456 178.6159 21 L 4.0768 7.9998 119.8339 57.4817 40.7564 178.0784 22 F 4.9704 8.0772 115.1740 55.8752 39.4573 175.8029 23 K 3.9516 7.9684 117.0302 57.6873 29.9114 174.7206 24 V 4.6141 7.1473 108.1714 58.6015 36.1674 175.9005 25 S 4.4582 8.2909 115.8576 58.1054 64.7137 175.1234 26 S 4.1441 8.6767 119.0552 61.9299 62.4511 176.8930 27 R 3.9563 8.0532 120.6183 59.9823 29.5676 178.3358 28 T 3.8671 7.3550 112.9821 66.8341 68.5231 176.1276 29 I 3.9549 7.4542 119.8284 64.6315 37.5155 177.7740 30 Q 4.2774 8.5691 118.9003 59.3672 28.5929 180.8989 31 N 4.3120 8.8124 115.4820 54.0004 38.4665 176.8010 *33 E 4.2512 8.1352 121.9255 56.4608 31.8574 177.5513 34 K 4.0384 8.2241 119.7719 58.6549 32.4362 176.0190 35 D 4.7335 8.4054 119.3222 53.0296 43.5259 174.6029 36 S 4.7420 8.9831 120.8959 58.2944 63.3285 176.0389 37 T 3.8715 8.1813 120.0123 66.6527 68.1867 174.5975 38 N 4.9975 7.8202 116.3697 52.4796 39.5553 174.0880 39 I 3.7360 7.4877 118.7538 61.2708 38.6503 176.4530 40 K 4.2566 8.5000 126.6778 56.1023 34.0474 177.8698 41 D 4.3857 8.6841 122.1153 57.3208 40.8818 178.4761 42 S 4.1068 8.1802 114.5221 61.7097 62.6132 176.3180 43 L 3.7391 7.8091 123.0112 57.3905 41.8183 178.2081 44 L 4.1492 7.8118 119.5187 58.4624 42.0713 178.8831 45 S 4.2753 8.3387 114.5365 61.4917 62.9407 176.5326 46 K 3.8295 7.2728 120.9526 59.1301 31.3343 179.4565 47 Y 4.6442 7.3705 113.9916 58.7753 37.8301 178.2301 *49 S 4.2668 8.0351 115.0847 58.3240 64.1223 175.4548 50 A 3.8456 7.9317 121.6313 54.6763 18.0015 178.2176 51 F 4.7629 7.6417 110.8511 56.3224 39.8227 174.9614 52 N 3.8411 7.3089 117.6401 54.8491 37.4372 174.1819 53 V 4.4832 7.3825 108.2257 59.1021 34.9860 176.4972 54 K 4.3239 8.7420 122.8599 56.1594 33.0446 177.9686 55 Y 4.0026 8.6811 121.0207 61.0472 38.8046 177.7657 56 D 4.4839 8.2895 117.4913 56.8845 40.9841 177.0318 57 D 4.5627 7.7122 117.1751 55.4038 41.2268 175.9981 58 I 4.8260 7.2245 120.5424 59.2471 39.1455 175.0636 59 F 3.9585 8.5327 129.6894 57.4082 39.6684 174.4149 60 L 4.5031 8.4977 125.9040 51.8813 44.3983 176.6987 61 G 3.8436 7.8139 110.8740 45.0362 0.0000 171.2025 62 N 5.2298 8.7339 118.4647 51.2700 38.9548 175.7396 63 E 4.1088 8.6821 117.3526 59.0035 30.2517 178.1560 64 Y 4.2896 8.4137 119.0864 60.8616 38.9426 177.7089 65 E 3.7772 9.2211 119.8689 59.3458 29.5514 178.8072 66 N 4.1237 8.5749 116.8964 56.6160 38.7082 177.2117 67 F 4.2285 7.9614 121.5392 61.0245 39.5151 177.2627 68 V 3.2726 7.6343 117.9999 65.8766 31.1982 177.8100 69 F 3.8014 7.8222 120.0165 61.4607 39.2079 176.9077 70 T 3.5103 7.9974 115.7199 66.7161 68.3028 175.9862 71 N 3.9216 8.0217 118.7122 56.5637 38.8129 176.4657 72 D 4.2009 8.1383 120.5742 57.2502 40.8790 178.9463 73 K 3.6621 7.5672 118.6803 59.3513 31.9287 179.0294 74 K 3.7282 7.7085 119.6547 59.7274 32.0052 178.8745 75 K 3.9601 7.9904 118.7886 59.1827 31.8747 179.2908 76 S 4.2662 8.1905 114.3473 60.6449 63.0868 176.5380 77 I 3.6784 7.8066 124.0189 64.3490 36.7763 178.3697 78 I 3.7814 7.4314 120.7699 64.1904 36.9221 178.2001 79 L 3.9100 8.0314 120.9472 58.2745 41.7499 178.9838 80 A 4.2009 8.0742 119.5260 54.9441 18.3138 179.1090 81 F 4.2832 7.8300 118.9694 61.2841 39.6760 177.1664 82 K 3.9988 8.1802 119.3654 58.9616 31.8065 178.9233 83 E 4.3562 8.2797 118.8812 55.7021 28.5406 177.4931 84 K 4.4717 7.5676 118.1867 56.7565 36.0691 175.5763 85 Q 4.0162 7.5445 122.0132 56.0027 28.5822 175.5470 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 N 8.42 4.72 0.00 2.73 2.93 0.00 0.00 6.82 6.89 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 -6 L 7.96 4.20 0.00 1.54 0.98 0.81 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 -5 Y 7.78 5.17 0.00 3.14 2.98 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 -4 F 8.93 4.94 0.00 2.96 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 -3 Q 8.02 4.14 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 -2 S 8.05 4.59 0.00 3.90 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 -1 N 8.52 5.01 0.00 2.78 2.76 0.00 0.00 7.33 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 0 A 7.25 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 K 7.95 4.94 0.00 1.95 1.75 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.28 7.81 -4 T 8.78 4.67 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 -3 L 7.86 4.14 0.00 1.39 1.51 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 -2 K 8.03 4.44 0.00 1.85 1.80 0.00 0.61 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.32 7.81 -1 E 8.54 4.62 0.00 2.01 1.97 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 2.28 2.28 0.00 0 L 7.17 4.48 0.00 1.30 0.93 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.84 4.16 0.00 2.04 2.14 0.00 3.32 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 9 T 7.88 4.03 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 1.29 0.00 0.00 10 D 8.17 4.27 0.00 2.84 2.49 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 0.00 0.00 0.00 0.00 11 Y 7.91 4.50 0.00 3.23 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 12 G 7.86 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 13 L 7.72 4.75 0.00 1.76 1.62 1.10 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.62 4.49 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 15 Q 8.61 4.00 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 16 K 7.91 4.00 0.00 1.86 1.80 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.45 7.81 17 E 8.31 3.90 0.00 2.17 1.94 0.00 0.00 0.00 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 2.31 0.00 18 L 8.10 3.65 0.00 1.66 1.57 0.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.37 3.78 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 20 D 8.41 4.38 0.00 2.70 2.74 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 0.00 0.00 0.00 0.00 21 L 8.00 4.08 0.00 1.51 1.45 0.86 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.08 4.97 0.00 3.08 2.80 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 23 K 7.97 3.95 0.00 1.93 1.88 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.42 7.81 24 V 7.15 4.61 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.04 0.00 0.00 25 S 8.29 4.46 0.00 4.07 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 26 S 8.68 4.14 0.00 3.90 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 27 R 8.05 3.96 0.00 1.94 1.96 0.00 3.26 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 28 T 7.35 3.87 4.45 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 1.29 0.00 0.00 29 I 7.45 3.95 2.09 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.85 1.03 0.00 0.00 30 Q 8.57 4.28 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.06 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 31 N 8.81 4.31 0.00 2.96 2.87 0.00 0.00 7.08 5.91 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 *33 E 8.14 4.25 0.00 2.26 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 0.00 2.28 2.53 0.00 34 K 8.22 4.04 0.00 1.93 1.99 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.41 7.81 35 D 8.41 4.73 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.98 4.74 0.00 3.93 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 37 T 8.18 3.87 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 1.20 0.00 0.00 38 N 7.82 5.00 0.00 2.65 2.77 0.00 0.00 6.83 7.45 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 39 I 7.49 3.74 1.88 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 1.35 0.81 0.94 0.00 0.00 40 K 8.50 4.26 0.00 1.86 1.72 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.51 7.81 41 D 8.68 4.39 0.00 2.79 2.66 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 42 S 8.18 4.11 0.00 4.05 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 43 L 7.81 3.74 0.00 1.81 1.90 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.81 4.15 0.00 1.74 1.91 0.89 1.24 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 45 S 8.34 4.28 0.00 3.91 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 46 K 7.27 3.83 0.00 0.84 0.74 0.00 1.36 0.00 0.00 1.29 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.14 1.32 7.81 47 Y 7.37 4.64 0.00 3.40 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 *49 S 8.04 4.27 0.00 3.87 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 50 A 7.93 3.85 1.01 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 0.00 0.00 51 F 7.64 4.76 0.00 3.29 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 52 N 7.31 3.84 0.00 1.44 1.81 0.00 0.00 6.91 7.23 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 53 V 7.38 4.48 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.07 0.00 0.00 54 K 8.74 4.32 0.00 1.94 1.80 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.54 7.81 55 Y 8.68 4.00 0.00 3.03 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 4.48 0.00 2.77 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 57 D 7.71 4.56 0.00 2.93 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 58 I 7.22 4.83 1.58 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 1.08 0.71 0.76 0.00 0.00 59 F 8.53 3.96 0.00 2.25 2.58 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 60 L 8.50 4.50 0.00 1.17 1.29 0.69 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.81 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 0.00 0.00 0.00 62 N 8.73 5.23 0.00 2.99 3.04 0.00 0.00 7.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.68 4.11 0.00 2.16 2.06 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 2.42 2.31 0.00 64 Y 8.41 4.29 0.00 3.14 3.23 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 65 E 9.22 3.78 0.00 2.41 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 0.00 2.48 2.69 0.00 66 N 8.57 4.12 0.00 2.98 2.96 0.00 0.00 6.70 8.86 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 67 F 7.96 4.23 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.63 3.27 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 0.69 0.00 0.00 0.37 0.00 0.00 69 F 7.82 3.80 0.00 2.42 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.00 3.51 4.29 0.00 0.00 0.00 0.00 0.00 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 71 N 8.02 3.92 0.00 1.75 2.40 0.00 0.00 7.29 8.37 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 72 D 8.14 4.20 0.00 2.73 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 73 K 7.57 3.66 0.00 1.58 1.60 0.00 0.61 0.00 0.00 0.83 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 0.82 7.81 74 K 7.71 3.73 0.00 1.70 1.87 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.42 7.81 75 K 7.99 3.96 0.00 1.95 1.77 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.37 7.81 76 S 8.19 4.27 0.00 4.00 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 77 I 7.81 3.68 1.95 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 1.46 0.87 0.86 0.00 0.00 78 I 7.43 3.78 1.99 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 1.38 0.82 0.94 0.00 0.00 79 L 8.03 3.91 0.00 1.95 1.79 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.07 4.20 1.39 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 0.00 0.00 81 F 7.83 4.28 0.00 2.96 3.26 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 0.00 82 K 8.18 4.00 0.00 2.19 1.77 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.48 7.81 83 E 8.28 4.36 0.00 2.05 1.92 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 2.32 2.22 0.00 84 K 7.57 4.47 0.00 1.56 1.46 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.43 7.81 85 Q 7.54 4.02 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.32 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.