NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4958 8.1749 117.3737 63.7216 70.0815 173.0977 2 T 4.5340 9.2505 121.4536 60.1504 71.9991 171.3748 3 I 5.1573 9.2835 121.1591 59.2232 41.0627 174.8109 4 V 4.6484 8.8640 116.6298 59.9169 36.6457 174.4641 5 G 4.5239 8.5396 108.3326 44.7465 0.0000 172.1817 6 V 4.6004 9.0792 124.7203 61.0483 34.6924 174.6352 7 K 4.8925 8.8670 127.4678 55.7993 33.4380 175.9569 8 F 5.1030 8.6287 117.8909 54.4934 41.2186 175.5132 9 N 4.2059 8.9180 118.1556 55.9087 36.8804 174.7185 10 N 4.9082 7.8884 116.0090 51.4906 40.2937 174.5388 11 G 3.4842 6.1281 104.4915 45.5893 0.0000 172.2695 12 V 5.1057 7.7387 119.3345 60.5063 34.4563 174.4931 13 V 4.7985 9.2001 122.0263 59.9899 34.8194 174.3286 14 I 5.2309 8.3868 114.8152 59.3605 40.7157 173.8993 15 A 4.8974 8.7554 124.4270 50.8607 23.1775 174.3481 16 A 5.5631 8.3637 118.0738 52.2236 22.0987 176.2319 17 D 4.7598 8.5871 119.9346 52.5762 41.9887 176.1899 18 T 4.7775 8.2125 106.1958 61.5211 70.4342 172.7701 19 R 4.8775 8.5021 122.7480 55.8688 31.2904 175.3533 20 S 5.0029 9.1416 121.6617 56.7123 65.0127 172.7435 21 T 5.1059 8.4239 115.5358 60.1537 72.2288 173.2074 22 Q 4.3911 9.1511 123.5318 53.6829 30.8330 176.0123 23 G 3.7013 8.7985 116.2351 46.5423 0.0000 172.3691 24 P 4.6038 0.0000 0.0000 62.4340 31.9937 175.3243 25 I 4.1443 7.6047 121.6768 60.0879 38.2218 175.1649 26 V 4.2490 8.2266 124.7086 62.0730 31.2796 175.5055 27 A 4.1123 8.6199 131.7053 54.2542 18.7773 176.9324 28 D 4.8172 7.8042 115.6050 52.4393 43.1717 176.1062 29 K 4.2237 8.7158 125.4873 58.1113 33.0303 177.1851 30 N 5.2154 8.1756 116.8575 52.8095 39.0460 172.8352 31 C 4.6897 8.6508 117.0429 57.0918 32.6009 174.2839 32 A 4.7127 8.4120 120.9895 50.5738 19.6915 176.8752 33 K 4.2967 8.7995 121.1884 56.6822 33.9401 176.0722 34 L 4.7716 7.8108 121.0057 54.1432 42.3389 175.7612 35 H 5.0336 9.8712 122.4788 53.9510 32.3011 173.3534 36 R 3.5463 7.9250 120.5380 54.6914 30.7214 175.7617 37 I 3.9051 8.4267 128.4317 63.2261 38.0193 175.8127 38 S 4.6102 7.2033 112.2263 55.6751 66.1497 172.5289 39 P 4.2954 0.0000 0.0000 65.2832 31.2179 177.6883 40 K 4.7156 8.1674 114.1410 55.8967 32.9356 174.8290 41 I 4.8837 7.7888 121.1027 59.6286 39.3792 174.6177 42 W 5.0572 9.3084 127.3445 54.9010 32.3897 174.7361 43 C 5.4460 9.7487 122.6077 57.6373 34.9259 172.4578 44 A 5.4082 8.4489 125.5020 49.1194 21.7661 175.3472 45 G 4.5835 8.7942 107.4307 44.4308 0.0000 171.5555 46 A 4.8140 9.4627 123.7091 50.5137 22.7197 174.6255 47 G 4.0779 8.8996 102.7670 44.3339 0.0000 175.0983 48 T 3.8887 8.7711 119.5525 63.6810 68.0894 174.6489 49 A 4.0001 8.9318 129.2422 55.4759 18.2291 178.7201 50 A 3.9554 8.0857 118.2628 55.4989 18.2859 179.5152 51 D 4.2407 8.1604 117.4957 57.6860 41.0744 179.0458 52 T 3.8449 7.8460 109.8883 64.7911 68.8700 176.0016 53 E 3.6942 8.3133 121.9513 58.7734 29.6295 178.6967 54 A 3.9541 8.2621 121.4536 55.1071 18.5069 180.0550 55 V 3.5031 7.9840 117.9239 65.1519 31.4159 178.8291 56 T 3.8464 7.7527 116.1383 66.4583 68.2016 176.8069 57 Q 3.9317 7.8966 119.5864 58.4873 28.7895 178.1508 58 L 3.8956 7.9664 121.4472 58.4481 42.1410 179.2356 59 I 3.7891 7.7123 119.7074 64.1421 36.9947 178.6945 60 G 3.5577 8.0337 106.7308 47.6946 0.0000 175.6298 61 S 4.0551 8.5604 115.9678 61.3963 62.4032 176.1731 62 N 4.4048 8.2360 118.9684 56.2152 38.1235 177.5812 63 I 3.7061 8.1771 121.9932 64.0553 37.1418 178.0888 64 E 3.9026 8.2300 120.2393 59.3874 29.5548 178.8677 65 L 4.0469 7.9692 119.0280 58.0155 41.5326 179.1228 66 H 4.1494 8.5891 118.5885 59.2075 29.8389 177.2179 67 S 4.2122 8.3543 115.1464 61.5408 61.9898 176.2283 68 L 4.0355 7.8844 120.5884 57.8654 41.4096 178.5602 69 Y 4.0952 7.9132 119.1136 60.2801 38.9043 177.0388 70 T 4.3487 8.2664 108.0448 60.8623 69.5736 174.6454 71 S 3.7864 7.9740 116.5940 59.7557 61.1306 172.0174 72 R 4.7769 7.6979 115.8279 53.9492 33.8753 175.2456 73 E 4.1912 8.5244 119.0400 55.5848 30.1305 175.6695 74 P 4.4495 0.0000 0.0000 62.7065 32.2854 175.9643 75 R 4.8140 8.2143 120.0490 54.2469 32.5218 177.2252 76 V 3.5812 9.1850 122.5766 66.5999 31.3586 178.9530 77 V 3.6099 7.8485 111.1878 64.4731 31.2390 178.6614 78 S 4.0740 8.2185 115.0004 61.4496 62.6999 176.4676 79 A 3.9522 7.9079 123.0505 54.7805 18.1091 179.3607 80 L 3.8679 8.0693 119.1953 58.3924 42.2586 179.0280 81 Q 3.9325 8.3400 119.8520 59.4552 28.8727 178.0509 82 M 4.0717 8.2275 119.8540 58.2336 31.8929 178.7478 83 L 3.9900 8.0410 119.3152 57.6364 41.8858 179.6638 84 K 3.9876 8.1635 118.7170 60.3626 32.4920 179.1616 85 Q 4.1898 8.1872 119.4899 58.5224 28.3295 178.4160 86 H 4.2309 8.1424 119.3383 59.3950 29.8146 177.3275 87 L 4.0389 8.0358 119.5925 57.6863 41.7042 178.9996 88 F 4.1285 8.9093 120.9036 61.2114 39.1432 176.7833 89 K 3.7718 7.9209 117.8858 59.6298 32.0514 176.9980 90 Y 4.2641 7.6421 115.3691 58.0894 38.5134 176.0326 91 Q 2.8174 7.8649 117.6038 56.9320 26.6591 176.4148 *93 G 4.0648 7.7593 106.9877 45.4296 0.0000 175.1168 94 H 4.2696 8.6551 117.0060 57.9892 28.8246 175.9434 95 I 4.1736 6.8356 117.6713 59.5830 36.2768 176.1942 96 G 4.1325 8.3561 116.5697 46.3047 0.0000 169.3381 97 A 5.2236 7.4570 120.3696 50.4590 21.8389 176.7196 98 Y 4.6108 8.7856 119.7850 56.2016 41.0958 175.0083 99 L 5.4060 8.6648 122.6907 53.0813 46.6678 176.0255 100 I 4.5960 8.8828 122.0420 59.7352 39.7954 174.8449 101 V 4.9943 8.5189 126.8431 59.9618 33.3086 174.9710 102 A 4.8179 9.8050 125.1682 49.6064 23.3108 175.1596 103 G 4.4773 7.6502 108.6931 45.8073 0.0000 172.1215 104 V 4.5713 7.6698 112.0734 59.6400 34.7400 176.1332 105 D 4.2478 8.4041 120.8421 54.0063 38.8148 175.1140 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 T 8.17 4.50 4.24 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 1.23 0.00 0.00 2 T 9.25 4.53 4.24 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 1.21 0.00 0.00 3 I 9.28 5.16 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.94 0.00 0.00 4 V 8.86 4.65 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 0.80 0.00 0.00 0.94 0.00 0.00 5 G 8.54 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.08 4.60 2.14 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 1.12 0.00 0.00 0.96 0.00 0.00 7 K 8.87 4.89 0.00 1.70 1.68 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.38 7.81 8 F 8.63 5.10 0.00 3.17 3.06 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 0.00 0.00 0.00 9 N 8.92 4.21 0.00 2.87 3.10 0.00 0.00 5.70 8.04 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 10 N 7.89 4.91 0.00 2.63 2.81 0.00 0.00 6.81 7.98 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 11 G 6.13 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.74 5.11 2.04 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 0.75 0.00 0.00 1.04 0.00 0.00 13 V 9.20 4.80 2.14 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 1.10 0.00 0.00 0.91 0.00 0.00 14 I 8.39 5.23 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.98 0.00 0.00 15 A 8.76 4.90 1.21 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 0.00 0.00 16 A 8.36 5.56 1.20 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 0.00 0.00 17 D 8.59 4.76 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 18 T 8.21 4.78 4.42 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 1.22 0.00 0.00 19 R 8.50 4.88 0.00 1.85 2.05 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 20 S 9.14 5.00 0.00 3.90 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 21 T 8.42 5.11 4.33 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 1.21 0.00 0.00 22 Q 9.15 4.39 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.84 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 23 G 8.80 3.70 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 0.00 0.00 0.00 24 P 0.00 4.60 0.00 2.18 2.16 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 25 I 7.60 4.14 1.97 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 1.18 0.60 0.91 0.00 0.00 26 V 8.23 4.25 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 0.83 0.00 0.00 0.93 0.00 0.00 27 A 8.62 4.11 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 28 D 7.80 4.82 0.00 2.68 2.50 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 0.00 0.00 0.00 0.00 29 K 8.72 4.22 0.00 1.79 1.84 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.42 7.81 30 N 8.18 5.22 0.00 2.71 2.68 0.00 0.00 7.11 7.35 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 31 C 8.65 4.69 0.00 3.05 3.16 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 32 A 8.41 4.71 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 33 K 8.80 4.30 0.00 1.72 1.85 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.53 7.81 34 L 7.81 4.77 0.00 1.60 1.89 0.96 1.02 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 35 H 9.87 5.03 0.00 2.92 3.09 0.00 5.58 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 36 R 7.93 3.55 0.00 0.67 1.18 0.00 3.06 0.00 0.00 2.85 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.66 0.00 37 I 8.43 3.91 1.90 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 1.28 0.59 0.85 0.00 0.00 38 S 7.20 4.61 0.00 3.91 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 39 P 0.00 4.30 0.00 2.12 2.26 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 40 K 8.17 4.72 0.00 1.86 1.87 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 41 I 7.79 4.88 1.84 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 1.24 0.67 0.97 0.00 0.00 42 W 9.31 5.06 0.00 3.29 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 43 C 9.75 5.45 0.00 2.92 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 44 A 8.45 5.41 1.26 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 0.00 0.00 0.00 45 G 8.79 4.58 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 0.00 0.00 0.00 46 A 9.46 4.81 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 47 G 8.90 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.77 3.89 4.39 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 1.26 0.00 0.00 49 A 8.93 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 50 A 8.09 3.96 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 51 D 8.16 4.24 0.00 2.96 2.69 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 52 T 7.85 3.84 4.30 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 1.35 0.00 0.00 53 E 8.31 3.69 0.00 2.05 2.14 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 2.26 2.30 0.00 54 A 8.26 3.95 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 55 V 7.98 3.50 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 0.85 0.00 0.00 0.93 0.00 0.00 56 T 7.75 3.85 4.35 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 1.13 0.00 0.00 57 Q 7.90 3.93 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 58 L 7.97 3.90 0.00 1.76 1.55 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.71 3.79 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.29 0.87 0.00 0.00 60 G 8.03 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 4.06 0.00 3.89 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 62 N 8.24 4.40 0.00 2.75 2.82 0.00 0.00 7.12 6.69 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 63 I 8.18 3.71 2.06 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 1.51 0.82 0.90 0.00 0.00 64 E 8.23 3.90 0.00 2.03 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 0.00 2.31 2.35 0.00 65 L 7.97 4.05 0.00 1.91 1.73 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.59 4.15 0.00 3.25 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.35 4.21 0.00 4.07 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 68 L 7.88 4.04 0.00 1.94 1.75 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.91 4.10 0.00 3.09 3.02 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 0.00 0.00 0.00 70 T 8.27 4.35 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 1.20 0.00 0.00 71 S 7.97 3.79 0.00 4.03 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 72 R 7.70 4.78 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 73 E 8.52 4.19 0.00 1.97 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 2.33 2.29 0.00 74 P 0.00 4.45 0.00 2.05 1.99 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 2.03 2.13 0.00 75 R 8.21 4.81 0.00 1.85 1.81 0.00 3.16 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 76 V 9.18 3.58 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 1.12 0.00 0.00 1.03 0.00 0.00 77 V 7.85 3.61 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 0.80 0.00 0.00 0.93 0.00 0.00 78 S 8.22 4.07 0.00 4.02 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 79 A 7.91 3.95 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 80 L 8.07 3.87 0.00 1.89 1.87 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.34 3.93 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.23 4.07 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 83 L 8.04 3.99 0.00 1.90 1.72 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.16 3.99 0.00 2.01 2.08 0.00 1.28 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.57 7.81 85 Q 8.19 4.19 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 86 H 8.14 4.23 0.00 3.35 3.56 0.00 5.79 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 87 L 8.04 4.04 0.00 1.82 1.71 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.91 4.13 0.00 3.19 3.23 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 89 K 7.92 3.77 0.00 1.96 1.99 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.92 1.32 7.81 90 Y 7.64 4.26 0.00 2.95 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.86 2.82 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.44 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 *93 G 7.76 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.66 4.27 0.00 3.30 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.84 4.17 1.77 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.13 0.88 0.00 0.00 96 G 8.36 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 0.00 0.00 0.00 97 A 7.46 5.22 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 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.79 4.61 0.00 3.11 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 99 L 8.66 5.41 0.00 1.50 1.65 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.88 4.60 1.92 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 1.33 1.13 0.96 0.00 0.00 101 V 8.52 4.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.96 0.00 0.00 102 A 9.80 4.82 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 0.00 103 G 7.65 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.67 4.57 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 0.74 0.00 0.00 0.97 0.00 0.00 105 D 8.40 4.25 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.