NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3710 8.1776 115.3606 58.1537 65.1840 175.4656 2 F 4.0228 8.0555 115.4174 58.6012 37.3281 174.1416 3 A 4.7532 7.3026 122.8109 51.3993 20.0927 176.7662 4 G 3.8403 8.4482 106.1034 48.1319 0.0000 174.4020 *6 L 4.1113 7.6518 116.3586 54.2312 43.2073 177.2705 7 K 4.4856 8.0026 119.7103 55.1107 34.9845 177.4377 8 D 4.3619 8.6737 120.8397 57.7317 41.0499 178.8619 9 A 4.0302 7.8699 120.7079 55.1158 18.4344 179.1901 10 D 4.3033 7.9733 117.0446 57.1267 40.9716 179.0209 11 V 3.4720 7.7257 118.3141 65.8073 31.6274 177.7478 12 A 3.9964 8.3364 120.6960 55.3689 18.0189 179.4865 13 A 3.9380 7.8059 117.4085 55.3090 18.8735 179.4545 14 A 4.0201 8.2675 119.5701 55.1150 18.3275 179.7953 15 L 4.3032 8.3332 117.2526 57.2661 41.4682 179.2187 16 A 4.0073 7.6699 119.9213 55.3724 18.4210 179.3072 17 A 4.2395 7.6061 116.3332 53.9203 18.5200 177.8832 18 C 5.4025 7.9672 109.1044 56.6563 30.7314 174.7437 19 S 4.2225 8.0852 116.2818 61.7605 62.6481 175.2164 20 A 4.1472 7.9251 124.1890 50.5485 18.9111 176.4179 21 A 4.1368 8.5516 125.4103 54.1539 18.7452 177.0506 22 D 4.6396 8.9922 120.3107 55.1683 38.3830 174.7482 23 S 4.6366 7.8668 112.6459 57.8384 64.0403 173.8412 24 F 4.4613 8.7934 125.0611 58.1524 39.7481 174.9444 25 K 3.9662 7.4143 126.1687 53.7105 34.9577 176.6838 26 H 2.8264 7.5121 121.2624 58.2846 28.0791 177.5613 27 K 3.9206 7.0888 120.8079 58.9466 31.8443 178.7885 28 E 3.8529 7.6657 119.1188 58.8814 29.6488 178.4448 29 F 3.8529 7.8542 120.7912 61.3812 39.4804 177.2610 30 F 4.8654 8.3551 117.4695 60.3122 38.6555 177.7231 31 A 3.9724 7.8321 120.8411 55.0266 18.1351 179.5846 32 K 3.8303 8.1032 117.3518 59.5329 32.4246 179.1275 33 V 3.7126 7.7199 117.8443 62.9824 31.6740 176.6357 34 G 4.1012 7.9655 107.7514 45.7095 0.0000 175.8769 35 L 4.0233 8.2186 119.2261 57.7642 41.8177 179.1918 36 A 4.0046 8.2043 120.9640 54.4023 18.3643 178.1146 37 S 4.6561 7.8222 108.6040 58.0439 63.1497 174.1525 38 K 4.4433 7.4925 120.7212 55.1695 33.9618 176.5322 39 S 4.4685 8.1422 115.1790 57.8577 65.0834 174.7568 40 L 3.9789 8.3772 123.0074 58.3840 41.7001 178.4764 41 D 4.4262 8.1241 118.3738 57.6992 40.8585 178.4279 42 D 4.4886 8.2432 119.1629 57.0556 40.8091 178.9870 43 V 3.8335 7.9472 119.1789 65.8256 31.4994 178.3303 44 K 4.0570 8.3805 118.5494 59.3743 32.0295 179.4621 45 K 4.2101 8.5273 118.7156 59.5161 31.8832 179.2240 46 A 4.2767 8.4876 121.0964 55.0399 18.2895 179.2011 47 F 3.1088 8.1170 119.2061 61.6661 39.1455 177.0639 48 Y 4.1654 7.6745 113.8537 60.0732 37.6785 178.1993 49 V 3.4150 7.1131 119.0465 66.0110 31.6882 177.7272 50 I 3.8227 7.2392 118.2724 63.4472 38.2487 177.0508 51 D 4.7156 7.0112 121.2527 52.1587 38.3111 176.2500 52 Q 3.8765 7.9374 122.4228 58.4093 29.2836 177.4278 53 D 4.5300 9.2061 115.1313 52.7723 39.5412 176.2616 54 K 3.9666 7.7690 117.2722 57.6751 30.1241 176.5945 55 S 4.2396 8.2242 113.6869 59.5728 63.1484 175.3464 56 G 3.9938 8.9490 109.6579 45.0382 0.0000 173.1429 57 F 5.2897 7.6537 116.6971 55.7430 43.0509 175.3164 58 I 4.2488 9.0574 123.7535 60.2048 37.5163 175.5300 59 E 4.5980 8.7825 127.2162 55.5042 30.7524 178.2149 60 E 3.9075 8.8432 120.0614 59.5884 29.0152 178.9967 61 D 4.3843 8.0193 119.6734 56.1519 39.4565 178.1500 62 E 4.0366 7.9301 119.6408 58.8280 29.8057 178.5465 63 L 3.8786 8.1226 120.8900 57.7892 41.9975 178.9381 64 K 4.0349 8.0416 119.6882 58.8799 32.1063 177.5236 65 L 4.7507 7.4821 117.4031 54.6511 42.1595 178.3599 66 F 4.1950 7.9881 122.6404 62.0351 39.1651 177.1393 67 L 3.9944 8.0275 117.5342 57.8761 39.8976 179.3003 68 Q 4.2315 8.0427 117.4072 58.9901 28.3343 178.6845 69 N 4.5218 7.8143 116.3810 55.6341 38.5332 176.9185 70 F 4.5552 8.2898 118.9377 58.8051 39.5967 176.6495 71 S 4.5695 7.6518 112.9660 56.9396 66.8206 173.3766 72 P 3.8193 0.0000 0.0000 65.4007 31.1703 177.1386 73 S 4.5765 7.9566 109.5543 57.8075 63.2775 174.0010 74 A 4.2787 8.4777 125.1778 52.0115 18.7712 178.0969 75 R 4.2593 8.1756 116.0913 55.3098 30.8093 176.1792 76 A 4.3616 8.1066 120.3722 51.5380 19.4085 177.4303 77 L 4.4243 8.4030 120.1762 54.6917 42.9120 177.1949 78 T 4.3041 9.1761 112.1034 61.1256 70.3459 175.6954 79 D 4.4878 8.7639 121.1841 57.3001 40.7873 178.9175 80 A 4.0134 7.9432 120.9705 55.1724 18.4870 179.3708 81 E 4.0178 8.3157 117.1059 59.8006 29.5666 179.7274 82 T 3.9242 8.4943 116.0481 66.5893 68.5530 176.3743 83 K 3.8590 8.3967 121.5994 59.6741 32.0105 178.4713 84 A 4.0320 8.0135 120.6465 55.1220 18.2496 179.2369 85 F 4.0862 8.3325 119.1122 61.5687 39.4933 177.0346 86 L 3.9310 8.6640 120.0500 57.9607 41.5831 178.7524 87 A 4.0099 8.2431 120.4535 55.2300 18.4297 178.8928 88 D 4.5435 7.7392 115.0845 57.6479 41.5147 178.3969 89 G 4.0472 8.2285 104.9836 46.6976 0.0000 173.3132 90 D 4.9581 8.2488 122.3930 53.2206 39.6553 175.7738 91 K 4.3027 8.8089 123.8083 56.7385 32.6242 177.5179 92 D 4.6480 7.9904 116.7663 52.2539 39.7132 176.8949 93 G 3.9514 8.1384 106.8119 46.7624 0.0000 174.1008 94 D 4.4149 8.0451 115.8303 53.0653 39.6838 177.3709 95 G 3.9310 9.5301 108.7325 45.9882 0.0000 173.0346 96 M 5.0693 8.0868 117.2572 53.5045 36.6651 174.5556 97 I 4.9799 8.2587 121.4680 59.0953 39.7777 175.9996 98 G 4.3746 8.9958 114.5018 44.6963 0.0000 174.6429 99 V 2.1136 7.7110 119.7530 64.6699 30.8099 178.3442 100 D 4.2922 7.6883 118.8080 56.8499 40.7120 178.4342 101 E 3.9775 8.0313 118.6549 59.2872 29.5337 178.6330 102 F 4.1705 8.3484 120.5118 61.6245 39.2388 176.8398 103 A 3.8801 8.3425 119.1600 55.3510 18.2378 179.1878 104 A 4.0407 7.7654 118.6381 55.4125 18.2344 179.5788 105 M 4.0170 7.8433 115.9508 58.6537 32.3727 178.1872 106 I 3.7945 7.0914 118.6604 62.5404 38.2400 177.5320 107 K 4.2687 7.2143 119.6819 54.6695 30.0735 176.7964 108 A 4.1092 7.8153 125.0202 52.6244 18.9476 176.5504 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 S 8.18 4.37 0.00 4.01 4.16 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 0.00 0.00 0.00 0.00 2 F 8.06 4.02 0.00 3.16 3.21 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 3 A 7.30 4.75 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 4 G 8.45 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 *6 L 7.65 4.11 0.00 1.57 1.65 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.00 4.49 0.00 1.93 1.69 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 8 D 8.67 4.36 0.00 2.74 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 9 A 7.87 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.30 0.00 2.77 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 11 V 7.73 3.47 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 1.15 0.00 0.00 1.07 0.00 0.00 12 A 8.34 4.00 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 13 A 7.81 3.94 1.32 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 0.00 0.00 0.00 14 A 8.27 4.02 0.95 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 0.00 0.00 15 L 8.33 4.30 0.00 1.94 1.82 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.67 4.01 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 17 A 7.61 4.24 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 18 C 7.97 5.40 0.00 3.34 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 19 S 8.09 4.22 0.00 4.01 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 20 A 7.93 4.15 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 21 A 8.55 4.14 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 22 D 8.99 4.64 0.00 2.85 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 23 S 7.87 4.64 0.00 4.04 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 24 F 8.79 4.46 0.00 2.93 3.12 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 25 K 7.41 3.97 0.00 1.39 1.31 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.23 7.81 26 H 7.51 2.83 0.00 1.80 1.90 0.00 5.46 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.09 3.92 0.00 1.57 1.82 0.00 1.71 0.00 0.00 1.89 0.00 0.00 3.19 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.22 1.32 7.81 28 E 7.67 3.85 0.00 1.81 1.90 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 2.29 2.20 0.00 29 F 7.85 3.85 0.00 2.87 2.81 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 30 F 8.36 4.87 0.00 3.29 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 31 A 7.83 3.97 1.37 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 0.00 0.00 0.00 32 K 8.10 3.83 0.00 1.67 1.70 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.37 7.81 33 V 7.72 3.71 1.16 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 0.86 0.00 0.00 0.75 0.00 0.00 34 G 7.97 4.10 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 0.00 35 L 8.22 4.02 0.00 1.91 1.75 1.34 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.20 4.00 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.82 4.66 0.00 4.01 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 38 K 7.49 4.44 0.00 2.00 1.83 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.60 1.54 7.81 39 S 8.14 4.47 0.00 4.07 4.03 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 40 L 8.38 3.98 0.00 1.71 1.73 0.94 1.16 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 41 D 8.12 4.43 0.00 2.77 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 42 D 8.24 4.49 0.00 2.97 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 43 V 7.95 3.83 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 1.08 0.00 0.00 1.02 0.00 0.00 44 K 8.38 4.06 0.00 2.15 2.06 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.62 7.81 45 K 8.53 4.21 0.00 2.18 2.15 0.00 1.90 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.74 7.81 46 A 8.49 4.28 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 0.00 0.00 0.00 0.00 0.00 47 F 8.12 3.11 0.00 2.72 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 48 Y 7.67 4.17 0.00 3.04 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 49 V 7.11 3.42 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 -0.24 0.00 0.00 0.60 0.00 0.00 50 I 7.24 3.82 1.52 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.91 0.00 0.00 51 D 7.01 4.72 0.00 2.15 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 0.00 0.00 0.00 0.00 52 Q 7.94 3.88 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 53 D 9.21 4.53 0.00 2.71 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 54 K 7.77 3.97 0.00 1.87 1.88 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.44 7.81 55 S 8.22 4.24 0.00 4.15 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 56 G 8.95 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 57 F 7.65 5.29 0.00 3.13 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 58 I 9.06 4.25 1.90 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.09 0.80 0.00 0.00 59 E 8.78 4.60 0.00 2.04 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 2.40 2.37 0.00 60 E 8.84 3.91 0.00 2.16 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 2.34 2.35 0.00 61 D 8.02 4.38 0.00 2.87 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 62 E 7.93 4.04 0.00 2.15 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 0.00 2.33 2.32 0.00 63 L 8.12 3.88 0.00 1.55 1.67 0.06 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.04 4.03 0.00 2.03 1.78 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.48 7.81 65 L 7.48 4.75 0.00 1.75 1.63 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 66 F 7.99 4.19 0.00 3.30 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 67 L 8.03 3.99 0.00 1.84 1.72 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.04 4.23 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 69 N 7.81 4.52 0.00 2.29 2.28 0.00 0.00 7.01 8.70 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 70 F 8.29 4.56 0.00 3.36 3.28 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 71 S 7.65 4.57 0.00 3.94 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 72 P 0.00 3.82 0.00 2.05 2.16 0.00 3.70 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 2.06 2.12 0.00 73 S 7.96 4.58 0.00 3.99 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 74 A 8.48 4.28 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 75 R 8.18 4.26 0.00 1.93 1.95 0.00 3.04 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 76 A 8.11 4.36 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 77 L 8.40 4.42 0.00 1.52 1.59 0.94 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 78 T 9.18 4.30 4.26 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 1.36 0.00 0.00 79 D 8.76 4.49 0.00 2.80 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 80 A 7.94 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.02 0.00 2.36 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 0.00 2.49 2.43 0.00 82 T 8.49 3.92 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 1.24 0.00 0.00 83 K 8.40 3.86 0.00 1.94 2.04 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.64 7.81 84 A 8.01 4.03 1.47 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 0.00 0.00 85 F 8.33 4.09 0.00 3.24 3.14 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 86 L 8.66 3.93 0.00 1.82 1.88 0.91 1.33 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 87 A 8.24 4.01 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.74 4.54 0.00 2.73 2.92 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 89 G 8.23 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 90 D 8.25 4.96 0.00 2.67 2.78 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 91 K 8.81 4.30 0.00 1.85 1.86 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.41 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.54 7.81 92 D 7.99 4.65 0.00 2.86 2.78 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 93 G 8.14 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 0.00 0.00 0.00 94 D 8.05 4.41 0.00 2.73 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 95 G 9.53 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 0.00 0.00 0.00 96 M 8.09 5.07 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 97 I 8.26 4.98 2.08 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 1.22 1.90 1.21 0.00 0.00 98 G 9.00 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 0.00 0.00 0.00 0.00 99 V 7.71 2.11 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 0.76 0.00 0.00 0.32 0.00 0.00 100 D 7.69 4.29 0.00 2.70 2.72 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 0.00 101 E 8.03 3.98 0.00 2.24 2.34 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 2.44 2.58 0.00 102 F 8.35 4.17 0.00 3.18 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 0.00 103 A 8.34 3.88 1.32 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 0.00 0.00 0.00 104 A 7.77 4.04 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 0.00 105 M 7.84 4.02 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.79 0.00 106 I 7.09 3.79 1.42 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.36 0.72 0.00 0.00 107 K 7.21 4.27 0.00 1.78 1.75 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.75 7.81 108 A 7.82 4.11 1.19 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.