NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.6461 8.4244 119.2085 53.2685 39.5853 172.5988 -4 L 4.4955 7.5145 121.1850 51.8789 44.6314 173.6348 -3 Y 4.6162 8.5417 124.9201 57.5647 40.2029 174.3126 -2 F 4.3935 8.7904 130.0557 55.3493 41.6066 174.5575 -1 Q 3.7134 6.8982 124.9879 55.1692 29.3878 171.7886 0 G 4.0452 8.1774 116.9208 44.8994 0.0000 175.1694 -3 L 4.4062 8.5817 126.4201 54.7647 44.8029 176.0126 -2 Y 4.3235 8.6104 130.0557 55.5493 39.8066 174.6575 -1 H 4.1034 6.9982 123.3879 54.4692 28.9878 169.8886 0 L 4.4252 8.0074 129.9208 54.8994 47.4502 177.8694 6 V 4.9944 7.8848 125.1650 59.7271 35.4516 173.7534 *8 L 4.5019 8.1558 120.9412 54.7364 43.4805 176.1723 9 E 4.8598 8.9794 124.5506 53.6498 29.2141 172.4156 10 P 4.8195 0.0000 0.0000 62.1339 32.6125 175.1865 11 E 4.5171 9.1906 124.2120 55.7589 32.7796 175.5156 12 G 3.9859 9.2110 114.8164 45.2218 0.0000 173.0948 13 E 4.1438 8.3761 115.7234 56.9154 30.2662 178.5677 14 G 3.8959 8.9346 110.3829 44.8796 0.0000 174.7782 15 A 3.6827 7.7433 121.4880 53.8350 18.7846 179.1989 *17 D 4.4898 8.0833 118.1932 55.2689 42.9944 177.2413 18 R 4.0222 7.9156 119.0483 59.3359 30.1758 178.8396 19 I 3.7243 7.6176 116.0852 61.8282 36.5907 176.8583 *21 E 4.3347 8.4003 121.5701 56.5987 31.1795 179.3691 22 A 4.1713 7.6462 120.2268 52.2105 17.9030 179.2325 *24 A 4.2678 8.1796 124.2294 53.9865 20.8496 180.0125 25 I 3.6050 7.8289 116.4903 64.7902 37.1716 178.7248 26 L 3.7378 7.9053 119.5344 57.5609 41.0635 179.2199 27 D 4.4497 7.9902 117.8715 57.4743 40.8866 178.6988 28 G 3.6864 7.7774 104.9193 47.5651 0.0000 175.2398 29 L 3.9871 7.8239 122.4471 57.7401 42.1354 178.6649 30 A 3.9496 7.6902 120.7461 54.9501 18.1190 177.7288 31 P 4.3945 0.0000 0.0000 64.4272 31.5628 177.4559 32 E 4.6622 8.0832 116.2222 55.1412 30.3509 175.5031 33 L 4.6628 7.2646 120.0693 52.1807 42.6919 175.5536 34 P 4.3067 0.0000 0.0000 65.0159 31.6549 177.8825 35 G 3.8185 8.1488 105.2083 45.6811 0.0000 172.3355 36 L 4.8305 7.5845 122.6805 54.0707 41.7360 175.8946 37 T 4.3154 8.6938 124.3911 65.3545 69.7038 175.2688 38 E 4.6988 7.5652 120.1387 54.9989 33.1999 173.7184 39 F 5.3573 8.7945 128.1027 56.6075 42.2806 173.8822 40 R 4.6675 8.1841 124.2288 54.6774 34.2940 173.9318 41 H 5.1035 8.1652 116.3765 53.8910 32.1935 172.4884 42 G 3.8137 7.4867 106.6868 45.1277 0.0000 170.0881 43 P 4.6563 0.0000 0.0000 62.5243 32.2635 176.1314 44 N 4.4769 8.6050 121.5405 52.6879 38.4690 175.2526 45 R 3.6835 8.2596 125.6407 56.8530 31.0471 176.5200 46 D 4.1593 7.6951 114.9456 55.2342 38.9965 173.9285 47 F 4.3874 7.5073 118.6117 59.8446 39.6772 176.5129 48 E 4.4007 8.2277 117.5134 55.5666 29.8339 175.5529 49 Q 3.8649 7.6473 116.2868 56.8553 26.5345 174.2085 50 K 4.6294 8.3151 113.3594 56.0240 33.1614 177.6998 51 S 4.6931 7.6197 113.4830 56.8171 63.1769 176.9619 52 E 4.0181 8.3622 122.1158 60.0391 29.7667 178.4688 53 R 3.7046 7.9275 118.3159 58.6539 29.8358 175.4236 54 Y 5.1642 7.5982 115.0078 54.5062 37.7266 173.4401 55 P 4.5891 0.0000 0.0000 64.4971 32.6920 175.3931 56 Y 4.8856 7.9312 121.2895 56.6003 42.8094 173.5050 57 G 4.2904 8.0833 111.1051 45.7588 0.0000 171.3784 58 F 5.4325 9.0118 114.1242 55.0521 42.0493 173.2533 59 L 5.4771 8.6854 121.7062 53.5983 44.6253 174.6853 60 C 5.0617 8.7295 123.3834 58.2753 30.5877 173.1398 61 T 4.7860 8.0549 120.0242 62.0280 69.9651 173.5322 62 F 5.3739 8.6263 124.9860 55.8132 41.0100 175.7505 63 T 4.2296 8.8225 120.5794 66.9711 69.2057 173.4540 64 D 4.8111 7.7004 118.0971 51.3357 41.9064 175.9091 65 K 3.5850 8.2916 118.6546 59.0695 31.7798 178.2759 66 A 3.8756 7.9857 120.6650 55.1371 18.3972 179.1547 67 A 3.9253 8.5266 119.4347 55.2487 18.4642 179.5183 68 L 2.4400 7.3282 118.5598 57.9720 42.1271 179.0088 69 D 4.2508 8.1322 118.7385 57.2117 40.4678 178.6317 70 A 4.0204 7.7590 120.6111 55.1915 18.4583 178.8030 71 Y 4.1463 7.9155 117.4714 60.5542 38.6558 177.5715 72 A 3.8459 7.8687 121.8389 55.3831 18.4501 179.0267 73 V 3.8674 7.3633 105.5884 62.7577 32.3369 177.0262 74 H 4.1610 7.8180 121.5376 55.2882 30.9941 173.9192 75 P 4.2381 0.0000 0.0000 66.4381 31.0021 178.8554 76 T 3.8366 8.0312 114.9912 66.6546 68.4265 175.9083 77 H 3.9127 8.0495 119.6271 59.3083 29.7590 176.9177 78 Q 3.8825 7.9942 119.7922 59.0706 28.2933 179.2347 79 R 3.8182 7.7706 118.2920 59.3658 30.2408 178.1591 80 A 4.1858 7.6600 119.2399 54.9749 18.6330 179.3983 81 G 3.8752 8.4454 104.9327 47.7160 0.0000 176.3990 82 G 3.5665 7.7034 106.9525 44.7220 0.0000 175.6388 *84 L 4.2975 7.8976 122.0241 54.5100 44.0473 179.5056 85 V 3.5868 7.8996 117.3988 66.1533 31.2023 177.8749 86 A 4.0952 7.9909 118.7264 54.5220 18.3740 178.6321 87 S 4.6198 7.9102 111.4835 57.7789 63.9061 173.4008 88 C 5.2491 7.1870 119.3077 57.1776 30.7076 173.2209 89 R 4.1363 8.6965 122.5685 57.6652 30.1683 176.5292 90 N 4.0013 9.6592 122.8121 54.3226 37.7277 176.5823 91 G 3.8558 7.7305 112.4459 46.4702 0.0000 178.6898 92 A 4.0980 8.7789 129.8295 54.6735 18.2373 179.8497 93 D 4.5024 8.0511 114.7725 56.6202 41.0619 177.1312 94 G 4.4560 8.1908 106.4431 45.9301 0.0000 173.0596 95 I 4.8842 7.6459 121.0298 59.0207 40.1866 174.8279 96 L 4.3806 8.3015 129.7383 53.7238 43.3750 175.0037 97 V 5.1962 8.3139 126.1114 61.1077 33.8251 174.6317 98 V 4.3592 8.2315 126.5042 61.3109 34.1573 174.8728 99 D 5.4270 8.7448 127.2911 52.4137 41.6716 173.7948 100 L 4.2099 8.2965 121.9004 54.0967 42.7263 176.0635 101 E 4.3581 8.9106 125.9899 55.3747 29.8899 176.5526 102 V 3.9128 8.0558 119.5861 61.3772 32.1684 175.9620 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 -5 N 8.42 4.65 0.00 2.69 2.85 0.00 0.00 6.84 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 -4 L 7.51 4.50 0.00 1.74 1.61 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.54 4.62 0.00 3.04 2.89 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 -2 F 8.79 4.39 0.00 2.96 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 -1 Q 6.90 3.71 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.49 0.00 0.00 0.00 0.00 0.00 2.38 1.94 0.00 0 G 8.18 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 -3 L 8.58 4.41 0.00 1.63 1.53 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 -2 Y 8.61 4.32 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.00 4.10 0.00 3.18 3.21 0.00 8.08 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 L 8.01 4.43 0.00 1.34 0.65 0.92 0.30 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 6 V 7.88 4.99 0.67 0.00 0.00 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 0.43 0.00 0.00 *8 L 8.16 4.50 0.00 1.86 1.75 1.21 0.83 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 9 E 8.98 4.86 0.00 2.18 1.95 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 2.17 2.37 0.00 10 P 0.00 4.82 0.00 1.99 1.98 0.00 3.73 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 2.08 2.15 0.00 11 E 9.19 4.52 0.00 1.89 1.73 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 2.22 2.30 0.00 12 G 9.21 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 13 E 8.38 4.14 0.00 2.00 1.76 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 2.23 1.88 0.00 14 G 8.93 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 0.00 0.00 0.00 15 A 7.74 3.68 1.45 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 0.00 0.00 0.00 *17 D 8.08 4.49 0.00 2.84 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 18 R 7.92 4.02 0.00 1.84 2.04 0.00 3.09 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 19 I 7.62 3.72 1.72 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.73 0.00 0.00 *21 E 8.40 4.33 0.00 2.32 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 2.30 1.89 0.00 22 A 7.65 4.17 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 *24 A 8.18 4.27 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 25 I 7.83 3.61 1.97 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 1.48 0.94 0.83 0.00 0.00 26 L 7.91 3.74 0.00 1.30 0.75 0.72 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.99 4.45 0.00 2.85 2.79 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 28 G 7.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 3.99 0.00 1.65 1.65 0.55 0.71 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 30 A 7.69 3.95 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 31 P 0.00 4.39 0.00 2.03 2.12 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 32 E 8.08 4.66 0.00 2.02 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 2.42 2.46 0.00 33 L 7.26 4.66 0.00 1.75 1.69 1.16 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.07 2.14 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 35 G 8.15 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.58 4.83 0.00 1.90 1.79 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.69 4.32 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 1.21 0.00 0.00 38 E 7.57 4.70 0.00 1.92 1.58 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 2.21 2.23 0.00 39 F 8.79 5.36 0.00 2.92 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 40 R 8.18 4.67 0.00 1.52 1.54 0.00 3.20 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 41 H 8.17 5.10 0.00 3.16 2.98 0.00 5.83 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.49 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 43 P 0.00 4.66 0.00 2.07 2.17 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 44 N 8.61 4.48 0.00 2.60 2.84 0.00 0.00 7.19 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 45 R 8.26 3.68 0.00 0.77 0.88 0.00 3.50 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 46 D 7.70 4.16 0.00 2.87 2.54 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 0.00 0.00 0.00 0.00 47 F 7.51 4.39 0.00 3.12 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 48 E 8.23 4.40 0.00 1.99 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 2.31 2.41 0.00 49 Q 7.65 3.86 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 7.10 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 50 K 8.32 4.63 0.00 1.73 1.80 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.49 7.81 51 S 7.62 4.69 0.00 4.00 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 0.00 52 E 8.36 4.02 0.00 1.94 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 2.36 2.22 0.00 53 R 7.93 3.70 0.00 1.43 1.14 0.00 2.86 0.00 0.00 2.58 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.43 0.00 54 Y 7.60 5.16 0.00 3.01 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 55 P 0.00 4.59 0.00 2.21 2.34 0.00 3.99 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 2.16 2.00 0.00 56 Y 7.93 4.89 0.00 3.04 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 57 G 8.08 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 0.00 0.00 0.00 0.00 58 F 9.01 5.43 0.00 2.76 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 59 L 8.69 5.48 0.00 1.58 1.31 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.73 5.06 0.00 2.29 1.95 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 61 T 8.05 4.79 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 1.34 0.00 0.00 62 F 8.63 5.37 0.00 2.92 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 63 T 8.82 4.23 4.32 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 1.27 0.00 0.00 64 D 7.70 4.81 0.00 2.97 2.85 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 65 K 8.29 3.58 0.00 0.79 1.15 0.00 1.47 0.00 0.00 1.39 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.07 1.29 7.81 66 A 7.99 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 67 A 8.53 3.93 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.33 2.44 0.00 0.98 1.40 0.28 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.13 4.25 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 4.02 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 71 Y 7.92 4.15 0.00 3.09 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 72 A 7.87 3.85 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 73 V 7.36 3.87 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 0.69 0.00 0.00 1.01 0.00 0.00 74 H 7.82 4.16 0.00 3.35 3.09 0.00 5.60 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.24 0.00 2.25 2.25 0.00 3.25 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 76 T 8.03 3.84 4.18 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 1.14 0.00 0.00 77 H 8.05 3.91 0.00 2.56 3.24 0.00 5.69 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 78 Q 7.99 3.88 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 79 R 7.77 3.82 0.00 1.78 1.90 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 80 A 7.66 4.19 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 81 G 8.45 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 82 G 7.70 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *84 L 7.90 4.30 0.00 1.99 1.88 1.22 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.90 3.59 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 1.03 0.00 0.00 1.04 0.00 0.00 86 A 7.99 4.10 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 87 S 7.91 4.62 0.00 4.05 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 88 C 7.19 5.25 0.00 3.14 2.85 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 89 R 8.70 4.14 0.00 1.84 1.83 0.00 3.35 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 90 N 9.66 4.00 0.00 2.95 2.87 0.00 0.00 7.00 7.65 0.00 0.00 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 G 7.73 3.86 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 0.00 0.00 0.00 92 A 8.78 4.10 1.34 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 0.00 0.00 0.00 93 D 8.05 4.50 0.00 2.87 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 94 G 8.19 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 4.88 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.92 0.00 0.00 96 L 8.30 4.38 0.00 1.33 0.91 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.31 5.20 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 0.75 0.00 0.00 0.89 0.00 0.00 98 V 8.23 4.36 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 0.88 0.00 0.00 0.87 0.00 0.00 99 D 8.74 5.43 0.00 2.61 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 0.00 100 L 8.30 4.21 0.00 1.57 1.59 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.91 4.36 0.00 2.12 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 2.30 2.50 0.00 102 V 8.06 3.91 1.73 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 0.48 0.00 0.00 0.07 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.