NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4759 8.3349 115.4094 58.5906 64.3688 172.7598 4 T 4.3464 7.8630 116.5396 61.3359 72.3170 171.8320 5 H 4.2696 9.6275 127.6145 55.8404 31.9441 173.2480 6 I 4.9155 7.8951 126.5370 59.7855 39.3083 174.6631 7 Y 5.0694 9.0618 124.2367 56.3142 41.8278 175.4861 8 T 4.6773 9.3389 112.7023 60.4485 70.6687 176.1146 9 K 4.0445 8.6874 122.1468 59.8021 32.4077 179.4287 10 E 3.8131 8.3299 119.7400 59.7167 29.8075 177.2682 *11 E 4.3450 7.9213 116.3548 55.5088 31.8745 178.2947 12 V 3.8473 8.2881 120.5805 66.1067 31.7826 178.6194 13 S 4.7770 8.2592 112.7223 60.3079 62.7622 175.2519 14 S 4.2067 7.5974 114.1680 59.6499 63.3781 174.6222 15 H 4.3806 8.0148 120.2324 53.4320 26.9451 174.7195 16 T 4.7063 7.7840 108.3011 60.6366 70.0856 174.3307 17 S 4.6897 7.4273 115.7638 56.1035 66.2973 172.9263 18 P 4.2511 0.0000 0.0000 65.6784 31.3172 177.9115 19 E 4.0763 8.2930 114.9296 59.5022 29.4621 177.9916 20 T 3.9275 7.7014 113.7463 61.8943 67.8283 174.7811 21 G 4.1450 8.2007 108.3718 45.8712 0.0000 172.6337 22 I 4.5577 8.7885 123.6448 59.5569 38.8760 174.8393 23 W 5.5482 9.0957 127.2745 55.1325 32.5951 175.3034 24 V 5.1285 8.8412 114.8183 60.1236 36.2435 174.2600 25 T 5.3121 8.7333 111.1910 60.2113 72.4542 173.0076 26 L 4.7021 8.8989 124.5716 53.9624 45.3435 175.2703 27 G 3.6778 9.6631 116.3528 47.5631 0.0000 174.3752 28 S 4.5928 8.5846 120.2840 58.3995 63.3826 172.9286 29 E 4.7217 8.1588 121.3335 55.1187 31.4434 175.1812 30 V 4.6672 8.0678 122.7864 61.0341 34.5080 174.3718 31 F 4.9682 8.9065 125.4803 55.7330 42.9723 173.5683 32 D 4.9716 8.7579 123.9387 52.9300 41.1088 175.7838 33 V 3.9420 8.5914 118.5320 61.3681 32.0061 178.3000 34 T 3.9369 8.2745 119.5035 67.2840 68.1129 175.8970 35 E 4.2637 8.2221 116.8725 58.2711 29.9091 178.1669 36 F 4.4380 8.1701 121.4524 60.2050 39.5654 177.5455 *37 V 3.6104 7.3172 117.8063 65.0512 30.7614 178.1917 38 D 4.3031 7.8697 117.3127 56.3179 40.8364 176.8614 39 L 4.1521 7.3131 117.2187 54.6512 42.1020 176.4134 40 H 3.9798 7.4992 120.9193 55.0933 30.1692 172.7224 41 P 4.2114 0.0000 0.0000 64.4380 31.3907 176.7899 42 G 3.7832 8.5597 111.3075 44.8658 0.0000 173.5557 43 G 3.9910 7.9576 105.9120 44.1900 0.0000 172.9337 44 P 4.3919 0.0000 0.0000 66.1204 31.1216 179.5558 45 S 4.1309 7.9476 117.6719 63.0144 62.6233 180.2954 46 K 4.2496 7.9446 121.3865 59.3239 31.9138 178.8077 47 L 3.7711 7.8035 120.0117 58.5719 41.9574 178.7665 48 M 4.0809 7.9747 117.8198 57.5915 31.5552 178.3546 49 L 3.8545 7.3829 118.3606 57.2182 41.9976 178.2935 50 A 3.9583 7.4570 118.2082 50.7181 19.2448 176.8277 51 A 3.9384 6.9916 121.0253 53.7941 19.1041 178.3404 52 G 3.9740 10.9401 110.4742 45.5377 0.0000 173.3392 53 G 4.4298 7.6105 107.4155 42.9537 0.0000 170.6498 54 P 5.1419 0.0000 0.0000 62.2140 33.7572 176.8305 55 L 4.0009 8.6823 120.7471 57.4074 41.5878 179.3879 56 E 4.0303 8.2382 118.4577 59.4222 29.2239 177.7265 57 P 4.2812 0.0000 0.0000 64.5725 31.6159 178.1103 58 F 4.5841 8.0362 116.1980 59.7414 39.6379 178.0478 59 W 4.5800 8.9355 118.5442 59.5928 28.5212 178.1762 60 A 4.1427 8.1188 122.5442 55.5733 17.8394 179.3738 *61 L 4.5307 7.9307 117.8459 56.4801 42.7213 179.8218 62 Y 4.7962 8.0023 115.6334 56.7671 38.4759 175.7236 63 A 4.2281 8.0937 124.7778 53.1866 19.0710 180.2018 64 V 3.5465 7.6790 115.1225 64.5051 31.3949 177.0899 65 H 3.8372 7.6180 116.1732 57.1081 29.0350 175.6045 66 N 4.6905 7.7382 120.1875 52.0625 37.3512 175.3589 67 Q 4.5911 7.1385 117.8563 53.0382 34.6625 176.1787 68 S 4.1816 8.7080 118.8985 61.9454 62.8796 176.6096 69 H 4.2485 8.1513 118.2712 58.3891 28.3620 177.6995 70 V 3.3844 7.3133 120.4720 65.7906 31.4188 178.1265 71 R 4.0059 7.8012 117.4271 59.2072 29.6718 178.6402 72 E 4.0275 8.0685 118.3739 58.6515 29.9101 178.1418 73 L 4.0779 8.1478 120.9571 58.1231 42.0929 178.6904 74 L 3.8350 7.9895 119.9021 58.1562 42.0793 178.6922 75 A 4.2825 8.0582 120.4746 55.2820 18.0055 179.3765 76 Q 4.0039 7.8780 115.3814 58.0726 28.9235 176.6125 77 Y 4.5347 7.9255 116.8669 57.1949 38.5129 175.3476 78 K 4.1291 8.0206 122.5668 56.4026 32.5928 176.4635 79 I 4.3173 8.7720 118.1730 59.3872 39.7654 176.5350 80 G 4.0541 6.5432 107.2072 46.3524 0.0000 170.7957 81 E 5.0755 8.2492 119.4498 54.6417 33.8997 175.6908 82 L 5.0958 8.7708 119.1293 54.6219 41.7377 177.1057 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 3 S 8.33 4.48 0.00 3.97 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 4 T 7.86 4.35 4.20 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 0.00 0.00 0.00 1.23 0.00 0.00 5 H 9.63 4.27 0.00 3.21 3.24 0.00 5.83 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.90 4.92 1.74 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 1.41 0.96 0.87 0.00 0.00 7 Y 9.06 5.07 0.00 3.01 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 8 T 9.34 4.68 4.49 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 1.29 0.00 0.00 9 K 8.69 4.04 0.00 1.88 1.95 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.52 7.81 10 E 8.33 3.81 0.00 1.97 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 2.33 2.38 0.00 *11 E 7.92 4.35 0.00 1.87 1.85 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 2.21 2.37 0.00 12 V 8.29 3.85 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.16 0.00 0.00 13 S 8.26 4.78 0.00 4.03 4.15 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 14 S 7.60 4.21 0.00 3.78 3.90 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 15 H 8.01 4.38 0.00 2.70 2.49 0.00 5.76 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.78 4.71 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 1.23 0.00 0.00 17 S 7.43 4.69 0.00 3.92 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 18 P 0.00 4.25 0.00 2.06 2.17 0.00 3.67 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 2.02 2.08 0.00 19 E 8.29 4.08 0.00 2.05 2.07 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 2.23 2.26 0.00 20 T 7.70 3.93 4.07 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 1.12 0.00 0.00 21 G 8.20 4.15 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 0.00 22 I 8.79 4.56 1.93 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 1.22 0.75 0.92 0.00 0.00 23 W 9.10 5.55 0.00 3.16 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 24 V 8.84 5.13 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 0.74 0.00 0.00 0.86 0.00 0.00 25 T 8.73 5.31 4.37 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 0.00 0.00 0.00 1.25 0.00 0.00 26 L 8.90 4.70 0.00 1.49 1.60 0.80 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.66 3.68 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 0.00 0.00 0.00 28 S 8.58 4.59 0.00 3.90 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 29 E 8.16 4.72 0.00 2.09 1.28 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 2.19 2.25 0.00 30 V 8.07 4.67 1.74 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 0.45 0.00 0.00 0.88 0.00 0.00 31 F 8.91 4.97 0.00 2.95 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 32 D 8.76 4.97 0.00 2.05 2.47 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 33 V 8.59 3.94 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 0.53 0.00 0.00 0.93 0.00 0.00 34 T 8.27 3.94 4.34 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 1.26 0.00 0.00 35 E 8.22 4.26 0.00 2.19 2.15 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 2.43 2.41 0.00 36 F 8.17 4.44 0.00 2.50 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 *37 V 7.32 3.61 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 38 D 7.87 4.30 0.00 2.60 2.70 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 39 L 7.31 4.15 0.00 1.16 1.47 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 40 H 7.50 3.98 0.00 3.03 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.21 0.00 1.95 1.94 0.00 3.66 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 2.03 2.09 0.00 42 G 8.56 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 43 G 7.96 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 44 P 0.00 4.39 0.00 2.22 2.31 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 45 S 7.95 4.13 0.00 3.73 3.83 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 46 K 7.94 4.25 0.00 1.74 1.81 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.41 7.81 47 L 7.80 3.77 0.00 1.30 1.71 0.97 0.91 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 48 M 7.97 4.08 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.84 0.00 49 L 7.38 3.85 0.00 1.27 1.39 0.99 0.57 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 50 A 7.46 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 6.99 3.94 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 52 G 10.94 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 53 G 7.61 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 5.14 0.00 2.34 2.08 0.00 3.44 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 55 L 8.68 4.00 0.00 0.99 0.44 -0.29 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.24 4.03 0.00 2.06 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 2.44 2.54 0.00 57 P 0.00 4.28 0.00 1.47 1.90 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 58 F 8.04 4.58 0.00 3.39 3.27 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 59 W 8.94 4.58 0.00 3.51 3.22 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 60 A 8.12 4.14 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 *61 L 7.93 4.53 0.00 1.77 1.57 0.92 0.79 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 62 Y 8.00 4.80 0.00 3.10 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 63 A 8.09 4.23 1.28 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 64 V 7.68 3.55 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 0.52 0.00 0.00 0.84 0.00 0.00 65 H 7.62 3.84 0.00 2.08 1.40 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 7.74 4.69 0.00 2.75 2.76 0.00 0.00 6.71 7.66 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 67 Q 7.14 4.59 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 68 S 8.71 4.18 0.00 4.05 4.14 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 69 H 8.15 4.25 0.00 3.41 3.60 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.31 3.38 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 0.86 0.00 0.00 0.55 0.00 0.00 71 R 7.80 4.01 0.00 1.90 2.01 0.00 3.56 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 72 E 8.07 4.03 0.00 1.98 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 2.33 2.36 0.00 73 L 8.15 4.08 0.00 1.83 1.81 0.93 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.99 3.84 0.00 1.69 1.66 0.31 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.06 4.28 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 76 Q 7.88 4.00 0.00 1.62 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.61 2.42 0.00 77 Y 7.93 4.53 0.00 3.20 3.20 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 0.00 0.00 0.00 0.00 78 K 8.02 4.13 0.00 1.80 1.67 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 0.95 7.81 79 I 8.77 4.32 1.56 0.00 0.00 -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 0.58 0.10 0.70 0.00 0.00 80 G 6.54 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 0.00 0.00 0.00 81 E 8.25 5.08 0.00 1.93 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 2.14 2.20 0.00 82 L 8.77 5.10 0.00 1.60 1.61 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.