NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 H 4.5874 8.4444 117.8459 55.9223 29.6927 172.2781 0 H 4.5148 8.8027 125.4428 54.3576 29.6815 172.7721 1 L 4.5589 8.1640 127.4862 52.7912 44.0951 174.6806 2 P 4.3398 0.0000 0.0000 62.9262 32.6083 174.6965 3 L 4.9189 7.9964 122.9871 53.9270 43.9508 175.5441 4 F 4.5278 9.3008 123.6490 55.6032 42.5325 173.8982 5 K 4.9324 8.2043 122.9073 54.7319 34.6705 175.4346 6 F 5.5087 9.3281 121.7389 55.7718 44.0810 173.3058 7 A 5.2251 9.3359 122.8670 50.3501 21.7778 175.0876 8 I 4.7021 9.0778 124.1873 59.7803 39.7315 174.3853 9 D 5.1270 9.4688 127.7760 52.8230 42.8042 174.7070 10 V 4.8671 8.8471 127.6674 61.5220 33.3427 174.7099 11 Q 4.7813 8.9211 125.8413 53.8294 33.2963 174.3786 12 Y 4.8948 8.2387 118.8748 58.0298 38.8267 176.6832 13 R 4.2727 9.0735 122.6444 56.1824 30.8177 178.1437 14 S 4.2879 8.8012 115.9947 61.0677 62.7683 174.8888 15 N 4.7454 8.1103 115.8854 52.2562 37.4246 174.1848 16 V 4.2006 7.9380 119.2861 61.1926 32.9925 175.6685 17 R 4.1090 8.2453 126.9142 56.3153 30.8291 175.6770 18 D 4.7205 8.1217 122.5162 50.6010 41.4577 173.9554 19 P 4.2417 0.0000 0.0000 65.3667 31.4148 178.7186 20 R 4.0112 8.0380 117.4181 58.9635 30.0126 178.7581 21 G 3.8464 8.2186 106.8181 47.3760 0.0000 175.3745 22 E 3.9902 8.3868 121.4579 59.3677 29.4743 179.7219 23 T 3.8828 8.0979 115.7018 66.6047 68.4370 176.8650 24 I 3.7157 7.8011 121.7711 64.2840 37.0683 177.9682 25 E 3.8987 8.4367 120.4468 59.2689 29.4267 178.7008 26 R 3.8556 8.1313 118.6982 59.5186 30.1532 178.5670 27 V 3.5729 7.8216 117.7468 66.1050 31.4699 177.9249 28 L 4.0192 8.1092 118.7846 57.7475 41.2745 179.8516 29 R 4.2378 8.1399 119.3663 58.8263 30.0294 178.9384 30 E 3.9952 8.4361 117.3050 58.7343 29.5961 177.7458 31 E 4.2671 7.9470 117.7548 58.0758 30.3574 176.9445 32 K 4.1270 8.0482 115.4916 56.4936 32.5169 177.6834 33 G 3.8790 7.8235 106.6698 46.0444 0.0000 173.0407 34 L 4.5547 8.0069 120.4092 52.3491 43.4192 175.6775 35 P 4.7878 0.0000 0.0000 61.7447 30.0167 175.8386 36 V 4.3955 7.2550 113.0061 60.3410 34.0646 175.7748 37 K 4.7998 7.9065 121.1501 54.9321 36.4282 175.5583 38 K 3.7918 8.5863 116.2439 57.3764 29.4625 175.7615 39 L 4.2287 8.3074 120.1559 54.7164 42.9310 175.4527 40 R 4.7976 8.4259 124.1472 54.2654 33.1638 174.3324 41 L 4.5125 9.4263 125.8301 53.5698 42.8841 175.2157 42 G 4.2758 8.3192 117.7108 43.9351 0.0000 170.6520 43 K 4.6403 8.6345 118.5926 54.5187 35.4850 175.3832 44 S 5.1832 8.6755 118.3783 56.6159 64.6694 172.9649 45 I 4.4771 8.7475 128.4409 59.9574 39.4692 174.3003 46 H 5.4455 8.8217 124.9589 54.7419 30.0528 174.7345 47 L 4.6445 8.8070 121.2941 54.9359 44.0574 173.6800 48 E 5.2785 8.7904 119.0611 54.6559 32.6461 175.5799 49 V 4.5801 9.0798 122.9330 61.2000 35.1199 173.9028 50 E 5.2625 8.8392 125.9923 55.4939 30.7763 175.0770 51 A 4.5996 8.5312 123.9252 51.2892 22.3506 176.3206 52 E 4.1234 8.9595 118.7326 59.1972 30.0482 177.0490 53 N 4.8143 7.3589 114.7245 51.1290 40.9900 174.8755 54 K 3.4886 8.4614 120.0422 59.2741 32.2973 178.5462 55 E 4.0175 8.1835 118.6916 59.3763 29.5365 179.1921 56 K 3.9589 8.6674 118.6152 59.2517 32.0668 179.3103 57 A 3.8545 7.6445 121.0290 55.3996 18.2243 179.1827 58 Y 3.6469 8.0381 115.1776 61.2330 37.7732 178.9858 59 E 4.0161 8.0985 119.2567 59.3315 29.4613 179.4064 60 I 3.6342 7.7987 119.8747 64.2907 37.1999 178.5632 61 V 3.3342 7.5350 118.9902 65.7914 31.2774 177.9339 62 K 3.9220 8.3414 119.6725 59.4104 32.0139 178.7815 63 K 3.8741 8.3173 118.8223 59.5012 31.9669 179.0538 64 A 3.9160 8.1177 121.0831 55.2860 18.2419 179.4283 65 C 3.7884 7.8637 114.9983 63.1024 27.9595 176.2986 66 E 3.9971 8.3777 119.1100 59.0949 29.1489 178.6330 67 E 4.3319 8.6263 116.8528 57.2675 29.9185 176.0632 68 L 4.6785 7.3574 117.9019 56.3636 48.9551 176.2777 69 L 4.1369 7.8861 116.9662 55.9858 41.9393 177.2783 70 V 4.3155 7.5263 117.9830 60.6668 33.6679 174.2651 71 N 4.6620 9.5306 127.0962 51.7815 38.3889 173.7917 72 P 4.3400 0.0000 0.0000 65.1459 31.8442 178.0076 73 V 3.7939 8.1618 118.9805 65.0743 31.6168 176.7673 74 V 4.4984 7.8545 109.7086 60.5136 33.6133 174.3549 75 E 5.5106 8.4870 118.7871 54.4104 32.9862 174.7431 76 E 5.0704 9.3575 118.9621 55.0309 33.6624 173.6915 77 Y 5.4579 8.1902 116.8925 55.4697 41.6182 174.1404 78 E 4.8122 9.1374 119.2486 54.6113 33.3702 175.0818 79 V 5.1031 8.5282 122.0431 61.2166 34.2427 174.8245 80 R 4.9506 9.0910 122.6177 54.4750 33.1655 173.9635 81 E 4.6762 8.9518 120.1719 55.9520 30.7916 176.5772 82 L 4.3534 8.1946 122.5726 54.8370 41.7234 176.3947 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 *-1 H 8.44 4.59 0.00 2.94 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.80 4.51 0.00 3.13 3.23 0.00 5.91 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 L 8.16 4.56 0.00 1.89 1.66 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.34 0.00 1.71 2.03 0.00 3.97 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.01 0.00 3 L 8.00 4.92 0.00 1.56 1.41 0.97 0.65 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 4 F 9.30 4.53 0.00 3.01 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 5 K 8.20 4.93 0.00 1.52 1.59 0.00 1.52 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.29 7.81 6 F 9.33 5.51 0.00 2.82 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 7 A 9.34 5.23 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 8 I 9.08 4.70 1.85 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 1.04 0.65 0.86 0.00 0.00 9 D 9.47 5.13 0.00 2.70 2.60 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 10 V 8.85 4.87 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 0.87 0.00 0.00 0.89 0.00 0.00 11 Q 8.92 4.78 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 12 Y 8.24 4.89 0.00 2.93 2.83 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 0.00 0.00 0.00 13 R 9.07 4.27 0.00 1.92 1.96 0.00 3.19 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 14 S 8.80 4.29 0.00 3.99 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 15 N 8.11 4.75 0.00 2.84 2.95 0.00 0.00 5.86 7.68 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 16 V 7.94 4.20 2.17 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 0.45 0.00 0.00 0.95 0.00 0.00 17 R 8.25 4.11 0.00 1.76 1.72 0.00 3.20 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 18 D 8.12 4.72 0.00 2.83 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 19 P 0.00 4.24 0.00 2.29 2.28 0.00 3.71 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 2.04 2.01 0.00 20 R 8.04 4.01 0.00 2.10 2.06 0.00 3.23 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 21 G 8.22 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 22 E 8.39 3.99 0.00 2.20 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 2.34 2.54 0.00 23 T 8.10 3.88 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 1.22 0.00 0.00 24 I 7.80 3.72 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.68 0.92 0.00 0.00 25 E 8.44 3.90 0.00 2.08 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 0.00 2.32 2.33 0.00 26 R 8.13 3.86 0.00 2.00 2.12 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 27 V 7.82 3.57 2.23 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 1.02 0.00 0.00 0.95 0.00 0.00 28 L 8.11 4.02 0.00 1.87 1.71 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.14 4.24 0.00 1.85 1.96 0.00 3.36 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 30 E 8.44 4.00 0.00 2.03 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 0.00 2.34 2.39 0.00 31 E 7.95 4.27 0.00 1.92 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 0.00 2.24 2.32 0.00 32 K 8.05 4.13 0.00 2.00 1.84 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.53 7.81 33 G 7.82 3.88 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 0.00 0.00 0.00 34 L 8.01 4.55 0.00 1.80 1.59 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.79 0.00 2.18 2.09 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 36 V 7.25 4.40 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 0.76 0.00 0.00 0.94 0.00 0.00 37 K 7.91 4.80 0.00 1.68 1.67 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.44 7.81 38 K 8.59 3.79 0.00 1.86 1.85 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.35 7.81 39 L 8.31 4.23 0.00 1.70 1.55 0.93 0.82 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 40 R 8.43 4.80 0.00 1.82 1.84 0.00 3.29 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 41 L 9.43 4.51 0.00 1.57 1.64 0.93 0.98 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 42 G 8.32 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 0.00 0.00 0.00 0.00 43 K 8.63 4.64 0.00 1.58 1.63 0.00 1.54 0.00 0.00 1.43 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.27 7.81 44 S 8.68 5.18 0.00 3.86 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 45 I 8.75 4.48 1.86 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 1.20 0.38 0.90 0.00 0.00 46 H 8.82 5.45 0.00 3.00 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.81 4.64 0.00 1.77 1.74 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.79 5.28 0.00 1.85 1.87 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 2.19 2.28 0.00 49 V 9.08 4.58 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 1.10 0.00 0.00 1.01 0.00 0.00 50 E 8.84 5.26 0.00 1.95 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 2.61 2.36 0.00 51 A 8.53 4.60 1.12 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 0.00 0.00 52 E 8.96 4.12 0.00 2.26 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 2.31 1.86 0.00 53 N 7.36 4.81 0.00 2.99 2.95 0.00 0.00 5.93 6.51 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 54 K 8.46 3.49 0.00 2.11 1.96 0.00 2.24 0.00 0.00 2.07 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.77 1.90 7.81 55 E 8.18 4.02 0.00 2.30 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 2.40 1.97 0.00 56 K 8.67 3.96 0.00 1.81 1.82 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.59 7.81 57 A 7.64 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.04 3.65 0.00 3.21 2.97 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 59 E 8.10 4.02 0.00 2.23 1.99 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 2.34 2.65 0.00 60 I 7.80 3.63 1.99 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 1.39 0.75 0.88 0.00 0.00 61 V 7.54 3.33 1.77 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 0.68 0.00 0.00 -0.08 0.00 0.00 62 K 8.34 3.92 0.00 1.96 1.98 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.21 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.60 7.81 63 K 8.32 3.87 0.00 1.94 1.81 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.59 7.81 64 A 8.12 3.92 1.29 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 0.00 0.00 0.00 65 C 7.86 3.79 0.00 2.64 2.19 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 66 E 8.38 4.00 0.00 1.86 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 0.00 2.39 2.50 0.00 67 E 8.63 4.33 0.00 1.93 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 2.29 2.42 0.00 68 L 7.36 4.68 0.00 1.50 1.68 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.89 4.14 0.00 1.51 1.60 0.81 0.66 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 70 V 7.53 4.32 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 0.88 0.00 0.00 0.69 0.00 0.00 71 N 9.53 4.66 0.00 2.75 2.85 0.00 0.00 6.56 7.50 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 72 P 0.00 4.34 0.00 2.25 2.21 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 73 V 8.16 3.79 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 0.95 0.00 0.00 74 V 7.85 4.50 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 0.77 0.00 0.00 1.09 0.00 0.00 75 E 8.49 5.51 0.00 2.01 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 2.15 2.30 0.00 76 E 9.36 5.07 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 77 Y 8.19 5.46 0.00 2.99 2.84 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 78 E 9.14 4.81 0.00 1.95 1.87 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 2.17 2.19 0.00 79 V 8.53 5.10 2.30 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 0.80 0.00 0.00 1.11 0.00 0.00 80 R 9.09 4.95 0.00 1.92 2.03 0.00 2.85 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 81 E 8.95 4.68 0.00 1.92 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 0.00 2.27 2.58 0.00 82 L 8.19 4.35 0.00 1.42 1.46 0.75 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.