NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3296 8.3044 120.3516 55.0164 33.3584 174.7302 1 V 3.4299 8.3495 125.4390 61.9547 31.6410 174.3937 2 D 4.7292 8.8262 128.1433 52.8126 42.4418 175.4846 3 F 3.9846 8.9792 129.2908 61.4917 39.3430 176.4653 4 A 3.9402 8.3904 119.5239 55.2545 18.2085 179.2428 5 F 4.1013 8.6802 118.9623 61.6448 39.4646 177.3017 6 E 3.6502 8.4544 118.4120 58.7763 29.1020 179.1282 7 L 3.5739 7.7168 121.0358 57.9177 42.0913 178.9670 8 R 3.6736 7.3983 118.3693 59.2012 29.9990 178.3974 9 K 3.6664 7.6102 119.2596 59.1846 32.0134 178.6850 10 A 4.0245 8.0864 121.5656 55.1233 18.0556 179.2799 11 Q 3.7817 7.9133 117.2225 59.1967 29.1532 177.7295 12 D 4.5941 7.9168 118.3220 55.3312 41.4325 177.7190 13 T 4.6164 7.9426 107.4515 61.2434 70.6112 174.7977 14 G 4.2266 8.4826 109.0520 45.8000 0.0000 174.9320 15 K 4.7538 9.5398 127.7545 54.8366 35.4932 174.5337 16 I 4.9780 8.3794 120.0565 59.0993 40.9899 174.9196 17 V 4.3902 8.4452 116.2615 59.8547 34.7208 174.6410 18 M 4.7484 8.7492 123.4517 54.6987 34.5614 176.6496 19 G 3.9858 9.1461 108.1129 45.4016 0.0000 174.6265 20 A 4.0274 8.6292 121.8919 54.8907 18.4246 180.1954 21 R 3.8415 7.9233 116.6206 59.8047 30.2488 178.8699 22 K 4.1580 7.9891 117.6865 59.4123 31.7158 179.4444 23 S 4.1690 8.1977 115.5787 61.7153 62.7204 176.8795 24 I 3.8443 8.1263 122.6716 64.2331 36.8306 178.0837 25 Q 3.8864 8.0527 120.3437 59.7110 28.8365 178.3398 26 Y 3.7765 8.7289 117.7528 60.6574 37.9669 178.2401 27 A 4.0325 8.3104 121.8711 55.0992 18.3351 179.5467 28 K 3.6493 8.0057 116.3016 59.8239 32.2987 178.8505 29 M 4.2384 7.9287 113.7231 55.1043 31.5883 176.2898 30 G 3.8117 7.8286 107.7659 47.2189 0.0000 174.4580 31 G 3.9690 8.5280 105.8359 44.5123 0.0000 173.6239 32 A 4.9209 7.8530 120.9175 50.1972 22.0970 176.5233 33 K 4.5360 8.7228 117.9748 56.7800 33.6914 176.8402 34 L 4.6762 7.6134 120.4356 54.0453 45.6565 173.2836 35 I 4.9694 8.6930 126.5925 59.6325 40.0688 174.4543 36 I 5.2231 9.0145 127.4202 59.6611 40.0974 174.9818 37 V 4.9688 8.7054 119.2857 59.2050 35.1711 175.4023 38 A 4.7199 9.1506 126.7081 51.6828 19.0676 179.0245 39 R 3.9892 8.4796 116.6948 58.5860 29.5830 177.5210 40 N 4.7604 7.9727 113.6115 52.0685 37.6168 174.5567 41 A 4.0197 7.6594 121.5559 52.7594 18.9942 178.9344 42 R 3.9264 8.6431 120.9908 56.2386 31.4355 175.4778 43 P 4.2447 0.0000 0.0000 66.1282 31.3583 178.4968 44 D 4.3487 8.0698 117.0054 56.3264 39.3124 178.5702 45 I 3.7505 7.6908 120.8668 64.0531 37.1959 178.0159 46 K 3.9148 8.2748 119.6221 59.8061 31.9703 179.1892 47 E 4.0009 8.4293 118.6837 59.3941 29.2697 179.1643 48 D 4.2779 8.3951 119.1346 57.4030 40.8867 178.7572 49 I 3.8570 8.0488 120.3681 64.7342 37.2096 178.2646 50 E 3.9813 8.6049 119.6174 59.5350 29.2600 178.9583 51 Y 3.9732 8.0971 119.3839 61.0583 38.7775 177.5337 52 Y 3.9588 8.0044 117.6818 60.8313 37.8646 178.5588 53 A 4.0987 8.3280 122.0300 55.1505 18.5500 179.6063 54 R 3.7876 8.0366 117.2221 59.5447 29.8590 178.6423 55 L 4.0045 7.5907 118.2532 56.9711 41.6870 178.6236 56 S 4.6569 7.5100 109.9517 57.3436 63.8211 174.5065 57 G 3.7913 7.6396 109.0975 46.5176 0.0000 173.0379 58 I 4.4741 7.7136 120.8757 58.7390 38.3733 174.5190 59 P 4.5558 0.0000 0.0000 62.8031 32.8344 175.1933 60 V 5.0327 8.3583 120.7440 61.3420 34.3251 173.7650 61 Y 4.7421 9.2239 128.9593 55.7373 41.6125 173.6436 62 E 4.7486 8.0871 127.8073 54.5741 30.4135 175.3157 63 F 4.3195 9.0254 131.2515 58.1159 40.1003 175.9150 64 E 3.5033 8.2898 123.2967 57.6215 30.1427 176.6147 65 G 3.6014 5.3800 108.9448 42.9891 0.0000 172.9535 66 T 4.7743 8.7716 111.2782 60.7363 71.1390 175.6751 67 S 4.7087 9.2322 117.8964 60.8675 62.6870 176.9655 68 V 3.5996 7.7782 121.5890 66.0787 31.0293 177.7068 69 E 4.0805 8.1895 117.9985 59.2831 29.3555 179.1213 70 L 3.9079 8.7051 121.0250 57.9570 42.0874 179.1554 71 G 3.7530 8.0059 106.4925 47.6353 0.0000 175.5658 72 T 3.8709 8.0388 118.4135 66.2760 68.2339 176.7139 73 L 4.0518 7.9446 119.9970 57.5410 41.6864 178.6457 74 L 4.3833 7.4827 116.0606 54.2881 41.6331 177.5146 75 G 3.8728 7.7968 106.8088 45.8144 0.0000 173.6438 76 R 4.5468 7.8594 118.3417 53.6682 31.7968 174.2114 77 P 4.6930 0.0000 0.0000 62.9210 31.4913 174.8834 78 H 5.0573 7.4485 113.8358 53.8225 31.7855 172.4853 79 T 4.1863 8.3683 109.8109 61.8074 69.2651 174.0263 80 V 4.4874 8.6482 123.1769 61.6162 34.1336 175.6627 81 S 4.7765 8.9128 122.3105 59.2150 64.7544 173.3752 82 A 5.2093 7.7937 120.9931 51.3360 22.4996 174.7958 83 L 5.0237 9.2155 118.3623 54.8205 44.5861 174.1506 84 A 5.1100 8.9550 121.9150 50.1168 22.2098 175.5158 85 V 3.9815 8.6945 123.3474 62.3951 32.0021 176.6991 86 V 3.7886 8.6497 129.2668 65.1078 31.8604 175.7939 87 D 4.9376 7.7696 119.8523 51.7365 43.9865 174.1830 88 P 4.3917 0.0000 0.0000 63.0245 32.8797 177.4014 89 G 3.5507 8.3465 108.3835 47.3511 0.0000 174.6230 90 A 4.3674 9.1987 128.7723 51.9084 18.7483 177.5936 91 S 4.6182 7.6661 111.7825 58.0218 64.5506 174.1837 92 R 4.4682 9.0636 119.0789 56.3028 30.2386 178.6296 93 I 3.6010 7.4714 121.1900 64.0984 37.7873 177.5841 94 L 4.1629 7.8424 118.1973 56.4426 41.6623 178.6277 95 A 4.0808 8.0408 121.3630 54.8489 18.0137 179.3758 96 L 4.1524 7.6302 116.2922 57.1284 41.6860 178.9842 97 G 3.8434 7.8371 104.4207 44.6909 0.0000 174.5238 98 G 3.8861 7.5146 108.1671 45.8148 0.0000 174.5430 *99 K 4.1019 8.1974 118.6483 54.6829 32.4255 175.1227 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 M 8.30 4.33 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 1 V 8.35 3.43 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 0.79 0.00 0.00 0.95 0.00 0.00 2 D 8.83 4.73 0.00 2.84 2.68 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 0.00 0.00 0.00 0.00 3 F 8.98 3.98 0.00 3.24 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 4 A 8.39 3.94 1.51 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 0.00 0.00 5 F 8.68 4.10 0.00 3.11 3.19 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 0.00 6 E 8.45 3.65 0.00 1.86 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 2.62 2.48 0.00 7 L 7.72 3.57 0.00 0.82 1.11 0.67 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.40 3.67 0.00 1.89 1.68 0.00 3.11 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 9 K 7.61 3.67 0.00 1.12 1.51 0.00 1.38 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.23 7.81 10 A 8.09 4.02 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 11 Q 7.91 3.78 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 12 D 7.92 4.59 0.00 2.60 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 13 T 7.94 4.62 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 1.15 0.00 0.00 14 G 8.48 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 0.00 0.00 0.00 0.00 15 K 9.54 4.75 0.00 1.74 1.58 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.35 7.81 16 I 8.38 4.98 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.76 0.81 0.00 0.00 17 V 8.45 4.39 1.78 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 0.30 0.00 0.00 0.25 0.00 0.00 18 M 8.75 4.75 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 19 G 9.15 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 20 A 8.63 4.03 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 21 R 7.92 3.84 0.00 1.91 1.96 0.00 3.20 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 22 K 7.99 4.16 0.00 1.80 1.76 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.60 1.55 7.81 23 S 8.20 4.17 0.00 4.08 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.13 3.84 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.80 0.97 0.00 0.00 25 Q 8.05 3.89 0.00 2.31 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 26 Y 8.73 3.78 0.00 3.08 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 27 A 8.31 4.03 1.49 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 0.00 0.00 28 K 8.01 3.65 0.00 1.73 1.66 0.00 1.40 0.00 0.00 1.40 0.00 0.00 2.54 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.66 7.81 29 M 7.93 4.24 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 30 G 7.83 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 31 G 8.53 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 32 A 7.85 4.92 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 K 8.72 4.54 0.00 1.61 1.86 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.50 7.81 34 L 7.61 4.68 0.00 1.74 1.45 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.69 4.97 1.95 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 1.29 0.99 1.04 0.00 0.00 36 I 9.01 5.22 2.01 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 1.58 0.89 1.27 0.00 0.00 37 V 8.71 4.97 2.13 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 0.79 0.00 0.00 0.95 0.00 0.00 38 A 9.15 4.72 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 39 R 8.48 3.99 0.00 1.87 2.09 0.00 2.95 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 40 N 7.97 4.76 0.00 2.84 2.92 0.00 0.00 5.97 7.26 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 41 A 7.66 4.02 1.41 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 42 R 8.64 3.93 0.00 1.90 1.86 0.00 3.23 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 43 P 0.00 4.24 0.00 2.19 2.11 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 44 D 8.07 4.35 0.00 2.87 2.93 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 45 I 7.69 3.75 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.65 0.96 0.00 0.00 46 K 8.27 3.91 0.00 1.98 1.89 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.65 7.81 47 E 8.43 4.00 0.00 1.99 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 2.32 2.50 0.00 48 D 8.40 4.28 0.00 2.84 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.05 3.86 2.14 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 1.63 0.79 0.99 0.00 0.00 50 E 8.60 3.98 0.00 2.19 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 0.00 2.36 2.48 0.00 51 Y 8.10 3.97 0.00 2.97 2.88 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 0.00 0.00 0.00 52 Y 8.00 3.96 0.00 3.08 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 53 A 8.33 4.10 1.49 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 0.00 0.00 54 R 8.04 3.79 0.00 1.99 2.00 0.00 3.12 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 55 L 7.59 4.00 0.00 1.71 1.64 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.51 4.66 0.00 4.05 3.95 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 G 7.64 3.79 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 0.00 0.00 0.00 58 I 7.71 4.47 1.90 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 1.43 0.65 0.96 0.00 0.00 59 P 0.00 4.56 0.00 2.18 2.22 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 2.17 1.99 0.00 60 V 8.36 5.03 2.13 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 0.91 0.00 0.00 0.99 0.00 0.00 61 Y 9.22 4.74 0.00 3.07 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 62 E 8.09 4.75 0.00 1.88 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.35 0.00 63 F 9.03 4.32 0.00 2.99 3.03 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 0.00 0.00 0.00 0.00 64 E 8.29 3.50 0.00 1.85 1.79 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 1.77 1.86 0.00 65 G 5.38 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 0.00 0.00 0.00 0.00 66 T 8.77 4.77 4.27 0.00 0.00 0.00 0.00 0.00 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 67 S 9.23 4.71 0.00 4.09 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 0.00 68 V 7.78 3.60 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 1.09 0.00 0.00 0.96 0.00 0.00 69 E 8.19 4.08 0.00 2.58 2.25 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 2.41 2.39 0.00 70 L 8.71 3.91 0.00 1.96 1.88 0.59 1.03 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 71 G 8.01 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 0.00 0.00 0.00 72 T 8.04 3.87 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 1.23 0.00 0.00 73 L 7.94 4.05 0.00 1.71 1.67 0.93 1.14 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 74 L 7.48 4.38 0.00 1.72 1.62 0.86 0.84 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 75 G 7.80 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 76 R 7.86 4.55 0.00 1.69 1.36 0.00 3.34 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 77 P 0.00 4.69 0.00 2.19 2.13 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 78 H 7.45 5.06 0.00 3.32 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.37 4.19 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 1.25 0.00 0.00 80 V 8.65 4.49 2.09 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 1.03 0.00 0.00 0.94 0.00 0.00 81 S 8.91 4.78 0.00 3.98 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 82 A 7.79 5.21 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.22 5.02 0.00 1.82 1.70 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.95 5.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.69 3.98 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 0.87 0.00 0.00 0.87 0.00 0.00 86 V 8.65 3.79 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 0.84 0.00 0.00 87 D 7.77 4.94 0.00 2.78 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 88 P 0.00 4.39 0.00 2.21 2.24 0.00 3.88 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 2.04 1.94 0.00 89 G 8.35 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.20 4.37 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 91 S 7.67 4.62 0.00 4.05 3.79 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 92 R 9.06 4.47 0.00 1.86 1.96 0.00 3.15 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 93 I 7.47 3.60 1.70 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.08 0.82 0.00 0.00 94 L 7.84 4.16 0.00 1.71 1.68 0.91 0.86 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 95 A 8.04 4.08 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 0.00 0.00 0.00 0.00 0.00 96 L 7.63 4.15 0.00 1.48 1.13 0.59 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.84 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 98 G 7.51 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 *99 K 8.20 4.10 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.