NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3551 8.2493 123.5833 51.0955 20.9644 176.8829 3 E 4.4803 7.7687 110.8409 54.4182 30.5410 174.5332 4 S 4.1411 8.2457 113.6828 59.4616 63.6390 174.8443 5 Q 4.4161 8.5009 124.8970 55.5848 29.7275 174.9702 6 A 4.3051 7.8833 121.1846 51.6285 19.6220 178.6665 7 L 3.8290 8.4872 124.6014 57.9602 42.2332 178.9099 8 S 4.4470 7.9742 111.1399 59.9687 63.0819 174.1038 9 D 4.6475 7.7711 119.8089 54.5338 41.9251 176.3421 10 D 4.4175 7.9642 119.4046 54.1465 41.6870 176.1721 11 I 3.8578 8.4916 128.4728 63.8954 38.0600 177.8655 12 G 3.5886 8.1899 106.3574 47.6563 0.0000 175.1611 13 F 4.1546 8.8716 123.8420 61.0147 39.2953 177.1765 14 L 3.7896 8.1367 118.3816 57.6942 41.3637 179.4063 15 L 3.9431 7.9121 119.0739 57.9410 41.5462 179.8879 16 S 4.0546 7.9251 114.1107 61.1241 62.7904 176.4152 17 R 3.5648 7.5665 121.7630 59.1922 29.9014 178.4297 18 V 3.6789 7.7018 117.0438 65.6945 31.7368 177.7014 19 G 3.9468 8.3875 106.1145 47.7150 0.0000 176.5238 20 G 3.8746 7.9450 105.8501 44.8589 0.0000 175.5187 *22 V 3.4389 7.7339 121.9865 62.2374 33.4406 177.1439 23 L 4.0518 8.0693 121.2064 58.1232 41.8993 179.2079 24 G 3.5749 8.0926 105.3277 47.7228 0.0000 175.5272 25 A 4.0683 7.9070 123.0464 54.9182 18.5519 179.7280 26 V 3.4982 8.1943 117.1971 66.1373 31.3339 177.9431 27 N 4.3176 8.1062 115.3924 56.2284 38.8078 177.1304 28 K 4.0789 7.9954 119.2603 59.5494 31.9638 179.2871 29 A 4.0366 7.9942 119.7554 54.8032 18.5902 178.8931 30 L 4.1446 7.7978 115.8993 55.4998 41.9000 178.9373 31 V 3.5540 7.4250 119.3876 65.9637 31.2210 176.1517 32 P 4.2760 0.0000 0.0000 65.6508 31.2243 178.1388 33 T 4.0451 7.6934 111.1237 63.0674 67.3671 175.4641 34 G 3.9330 8.1542 108.1894 45.2102 0.0000 173.2050 35 L 4.5657 7.4182 118.5426 53.6356 43.6727 175.6133 36 R 4.7112 8.5640 119.0566 53.8894 34.4218 177.3243 37 V 3.6942 8.6191 118.4741 66.4790 31.2087 178.2713 38 R 3.9788 7.9548 117.5110 59.2134 30.0788 178.9884 39 S 4.1200 8.0415 113.6292 61.6114 63.0227 175.3887 40 Y 4.1864 8.2874 123.5977 60.6553 38.4508 178.3967 41 S 3.8404 8.2168 115.7497 61.6568 63.0067 177.0029 42 V 3.5419 7.4817 120.5176 65.7328 31.2634 177.7555 43 L 3.8758 7.9519 120.1827 58.0635 41.9546 179.0687 44 V 3.3922 7.6423 118.3740 66.0664 31.1940 177.9365 45 L 3.9237 7.6611 117.0113 57.7464 41.4538 179.1781 46 A 4.1091 7.5679 119.8699 55.3207 18.4530 179.2547 47 C 4.2344 7.9386 113.8372 62.1677 28.2061 175.6191 48 E 4.0906 7.7378 120.0421 58.3890 29.6499 177.0674 49 Q 4.2277 7.5163 117.2178 54.6689 29.5920 176.9013 50 A 3.9901 8.5543 126.4734 54.7932 18.4608 177.2236 51 E 4.4336 7.9621 113.0229 57.3858 30.9780 174.4979 52 G 4.1482 8.9436 112.2941 44.4669 0.0000 171.5562 53 V 4.1092 7.1628 113.1256 60.3956 34.3115 172.9197 54 N 4.6063 8.7680 121.4494 52.9776 38.6151 173.5436 55 Q 4.3479 8.6328 118.8246 58.6405 30.0658 178.5277 56 R 4.0498 7.9172 115.4369 58.5612 29.7589 180.1310 57 G 3.4811 7.9764 104.3516 48.0234 0.0000 176.1948 58 V 3.5269 7.8160 119.1691 66.0154 31.8012 177.2839 59 A 4.1156 8.1065 119.8230 55.3391 17.8709 179.3665 60 A 3.9996 7.3627 117.9377 55.2757 18.5229 178.9481 61 T 4.4389 7.3876 109.3113 62.5047 68.1189 174.9485 *63 G 3.8125 8.0064 105.6875 45.1078 0.0000 172.5198 64 L 4.9239 8.0439 120.1915 52.7695 45.6584 175.6716 65 D 5.0861 8.4228 117.4976 52.0466 44.0158 175.4818 66 P 4.1799 0.0000 0.0000 66.0780 31.3131 178.4011 67 S 4.1271 8.2192 111.0983 61.9691 62.1017 176.3386 68 Q 4.0321 8.0487 120.1915 58.8239 28.3184 178.9018 69 I 3.6627 7.6141 120.3919 64.3864 37.2489 177.9340 70 V 3.7204 8.4790 119.6655 66.3616 31.1534 178.0096 71 G 3.7615 8.0315 104.7676 47.9433 0.0000 175.4159 72 L 4.0094 8.0117 121.6621 57.5665 41.6487 180.1244 73 V 3.6939 8.5432 119.5307 64.8053 31.1906 178.1431 74 D 4.2741 8.5896 120.0981 57.2120 40.1110 178.4160 75 E 3.9661 8.4595 119.3441 59.3532 29.3550 179.5641 76 L 4.0602 7.7350 118.4750 57.8436 41.7523 179.1083 77 E 4.2520 8.7453 121.1082 58.7028 29.3251 178.3722 78 E 3.9726 8.4267 118.7200 58.3273 29.7266 177.8912 79 R 4.5127 7.2002 116.1521 54.9209 30.7432 176.2479 80 G 3.9079 8.0970 107.1219 46.6869 0.0000 175.2088 81 L 4.3097 8.1357 122.0945 56.0858 42.3671 177.1929 82 V 4.9148 7.3754 110.0655 59.5762 36.6518 174.4586 83 V 4.3709 8.8485 123.0867 60.8778 33.9161 174.7319 84 R 3.9544 8.7266 129.4716 56.2689 30.3474 176.6500 *96 I 3.9042 8.1702 127.9487 61.0929 37.8977 174.0627 97 A 4.9482 8.1252 124.6370 49.8744 22.0305 176.6998 98 A 4.7515 8.4840 121.6130 51.9047 20.0618 177.1375 99 T 4.3665 8.2338 110.2377 60.0243 71.6424 175.3627 100 E 3.8915 8.9787 121.6003 59.8026 29.2364 178.5570 101 E 3.9944 8.2572 117.6851 59.3264 29.6779 179.0142 102 G 3.9553 8.2485 105.8636 48.4424 0.0000 175.7735 103 R 4.1535 8.4202 121.1751 58.7003 30.0661 179.5153 104 R 3.9808 7.9142 118.1403 59.0383 30.0637 178.7687 105 L 4.0242 8.3085 120.7261 57.8977 42.0201 178.8933 106 R 4.0071 8.6307 119.1597 59.6923 30.1388 178.3200 107 D 4.3839 8.0349 118.2210 57.1809 40.8770 178.2348 108 D 4.2488 7.9965 117.9234 57.3571 41.3201 177.8726 109 A 3.9137 8.6012 121.5463 55.1331 18.3149 179.3107 110 K 3.8028 8.3618 117.7390 59.8116 32.2948 178.6751 111 A 4.0381 7.8310 120.3076 55.3056 18.2646 179.9136 112 R 3.8267 7.7633 116.1089 59.3494 30.0951 179.4253 113 V 3.4214 8.2162 118.3661 66.0348 31.4748 177.8029 114 D 4.3120 8.5547 118.8405 57.2109 40.4099 178.5775 115 A 4.0006 7.9032 120.1376 55.0065 18.6864 179.2242 116 A 4.1554 8.0247 119.1625 55.8308 18.4982 179.3994 117 H 4.5826 8.5249 115.0453 59.3412 28.7280 178.1479 118 G 3.7775 8.4533 107.3310 48.0176 0.0000 175.8774 119 R 3.8903 7.8704 118.7850 58.6167 30.0160 177.7901 120 Y 4.1362 7.8770 114.6663 58.9922 39.1512 176.8976 121 F 4.6911 8.3618 117.4071 56.9072 40.0042 175.7393 122 E 4.1005 7.8822 120.2461 57.8490 29.7526 176.2510 123 G 4.0823 9.1415 113.7779 45.4180 0.0000 173.4845 124 I 4.2138 7.5502 120.7751 59.4565 38.2451 174.6624 125 P 4.3879 0.0000 0.0000 62.8680 33.0661 177.2198 126 D 4.4038 8.7279 121.4528 57.7396 40.8745 179.2012 127 T 3.8332 7.9243 109.8527 64.8126 68.3915 176.5550 128 V 3.5734 7.6212 119.6506 65.7355 31.7969 177.7414 129 V 3.7136 7.5065 116.6265 66.1118 31.6667 177.3518 130 N 4.4713 8.8105 116.6361 56.1182 38.3001 177.3498 131 Q 3.9010 8.0285 119.7868 56.2982 29.1317 177.9020 *133 R 4.1654 7.9629 119.4024 56.0072 32.1579 176.8271 134 D 4.6659 8.3196 119.1571 57.1225 40.7074 179.1743 135 T 3.9425 8.1037 110.1302 64.6804 68.8201 176.6204 136 L 3.9633 7.8907 121.3595 57.6920 41.2184 179.3084 137 Q 4.1504 8.4278 118.4220 59.0542 28.1766 179.0728 138 S 4.2010 8.1097 115.1987 61.3361 62.6854 176.7633 139 I 3.7443 7.3797 122.0769 64.0722 37.1084 177.8674 140 A 3.9951 8.0412 120.6359 53.5273 19.1248 177.6597 141 F 4.8064 8.0287 116.3190 54.4478 39.6998 173.4027 142 P 4.8579 0.0000 0.0000 62.0838 31.0703 176.5299 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 2 A 8.25 4.36 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 3 E 7.77 4.48 0.00 2.10 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 2.15 2.42 0.00 4 S 8.25 4.14 0.00 3.85 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 5 Q 8.50 4.42 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 6 A 7.88 4.31 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 7 L 8.49 3.83 0.00 1.49 1.39 0.58 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.97 4.45 0.00 4.06 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 9 D 7.77 4.65 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.96 4.42 0.00 2.77 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 11 I 8.49 3.86 1.90 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 1.58 1.07 0.93 0.00 0.00 12 G 8.19 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.87 4.15 0.00 3.13 3.30 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 14 L 8.14 3.79 0.00 1.92 1.69 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.91 3.94 0.00 1.83 1.68 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.93 4.05 0.00 3.99 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 17 R 7.57 3.56 0.00 0.94 1.68 0.00 3.16 0.00 0.00 2.90 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 18 V 7.70 3.68 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 0.76 0.00 0.00 0.90 0.00 0.00 19 G 8.39 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 20 G 7.94 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 0.00 0.00 0.00 *22 V 7.73 3.44 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 1.03 0.00 0.00 0.60 0.00 0.00 23 L 8.07 4.05 0.00 1.82 1.84 0.93 1.00 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 24 G 8.09 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 25 A 7.91 4.07 1.53 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 0.00 0.00 26 V 8.19 3.50 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 0.93 0.00 0.00 1.01 0.00 0.00 27 N 8.11 4.32 0.00 2.95 2.87 0.00 0.00 7.09 7.15 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 28 K 8.00 4.08 0.00 2.04 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.60 7.81 29 A 7.99 4.04 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 30 L 7.80 4.14 0.00 1.81 1.80 0.78 0.48 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 31 V 7.43 3.55 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 1.03 0.00 0.00 1.01 0.00 0.00 32 P 0.00 4.28 0.00 2.05 2.10 0.00 3.81 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 33 T 7.69 4.05 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 1.28 0.00 0.00 34 G 8.15 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 35 L 7.42 4.57 0.00 1.69 1.70 1.07 0.91 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 36 R 8.56 4.71 0.00 1.79 1.85 0.00 3.14 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 37 V 8.62 3.69 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 1.12 0.00 0.00 1.01 0.00 0.00 38 R 7.95 3.98 0.00 1.92 1.98 0.00 3.20 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 1.74 1.71 0.00 39 S 8.04 4.12 0.00 4.08 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 40 Y 8.29 4.19 0.00 3.00 3.33 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 41 S 8.22 3.84 0.00 4.13 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 42 V 7.48 3.54 2.18 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 0.97 0.00 0.00 1.01 0.00 0.00 43 L 7.95 3.88 0.00 1.78 1.74 0.91 0.86 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 44 V 7.64 3.39 1.89 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 0.83 0.00 0.00 0.11 0.00 0.00 45 L 7.66 3.92 0.00 1.76 1.67 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.57 4.11 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 47 C 7.94 4.23 0.00 3.05 2.98 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 0.00 0.00 0.00 48 E 7.74 4.09 0.00 2.09 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 2.30 2.60 0.00 49 Q 7.52 4.23 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 50 A 8.55 3.99 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 51 E 7.96 4.43 0.00 1.91 1.82 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 2.19 2.21 0.00 52 G 8.94 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 53 V 7.16 4.11 2.05 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 0.72 0.00 0.00 0.90 0.00 0.00 54 N 8.77 4.61 0.00 2.84 2.90 0.00 0.00 5.96 7.39 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 55 Q 8.63 4.35 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 56 R 7.92 4.05 0.00 1.78 1.93 0.00 3.30 0.00 0.00 3.34 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 57 G 7.98 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 58 V 7.82 3.53 2.22 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 0.84 0.00 0.00 0.94 0.00 0.00 59 A 8.11 4.12 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 60 A 7.36 4.00 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 61 T 7.39 4.44 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 1.30 0.00 0.00 *63 G 8.01 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 64 L 8.04 4.92 0.00 1.59 1.83 0.93 1.07 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 65 D 8.42 5.09 0.00 2.76 2.52 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 66 P 0.00 4.18 0.00 2.15 2.14 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 67 S 8.22 4.13 0.00 3.88 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 68 Q 8.05 4.03 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 69 I 7.61 3.66 2.02 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 1.53 1.07 0.91 0.00 0.00 70 V 8.48 3.72 2.27 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 1.06 0.00 0.00 1.05 0.00 0.00 71 G 8.03 3.76 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 0.00 0.00 0.00 72 L 8.01 4.01 0.00 1.93 1.73 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.54 3.69 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 0.95 0.00 0.00 0.93 0.00 0.00 74 D 8.59 4.27 0.00 2.92 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 75 E 8.46 3.97 0.00 2.20 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 2.65 0.00 76 L 7.73 4.06 0.00 1.89 1.71 0.97 0.61 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 77 E 8.75 4.25 0.00 2.04 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 2.31 2.32 0.00 78 E 8.43 3.97 0.00 2.19 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 0.00 2.33 2.36 0.00 79 R 7.20 4.51 0.00 2.11 1.94 0.00 3.32 0.00 0.00 3.24 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 80 G 8.10 3.91 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 0.00 0.00 0.00 81 L 8.14 4.31 0.00 1.79 1.73 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.38 4.91 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 0.74 0.00 0.00 0.95 0.00 0.00 83 V 8.85 4.37 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 0.94 0.00 0.00 0.93 0.00 0.00 84 R 8.73 3.95 0.00 1.86 1.85 0.00 3.32 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 *96 I 8.17 3.90 2.05 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 1.34 0.68 0.90 0.00 0.00 97 A 8.13 4.95 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 98 A 8.48 4.75 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 99 T 8.23 4.37 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 1.20 0.00 0.00 100 E 8.98 3.89 0.00 2.05 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 2.39 2.44 0.00 101 E 8.26 3.99 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 2.40 2.33 0.00 102 G 8.25 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 0.00 0.00 0.00 103 R 8.42 4.15 0.00 1.98 2.00 0.00 3.12 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 104 R 7.91 3.98 0.00 2.05 1.98 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 105 L 8.31 4.02 0.00 1.75 1.80 0.94 0.75 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 0.00 106 R 8.63 4.01 0.00 1.97 2.10 0.00 3.34 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 107 D 8.03 4.38 0.00 2.89 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 0.00 108 D 8.00 4.25 0.00 2.85 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 0.00 109 A 8.60 3.91 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 0.00 110 K 8.36 3.80 0.00 2.18 2.08 0.00 1.63 0.00 0.00 1.86 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.56 7.81 111 A 7.83 4.04 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 0.00 112 R 7.76 3.83 0.00 1.99 1.92 0.00 3.09 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 113 V 8.22 3.42 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 0.88 0.00 0.00 0.29 0.00 0.00 114 D 8.55 4.31 0.00 2.89 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 0.00 115 A 7.90 4.00 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 0.00 116 A 8.02 4.16 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 0.00 117 H 8.52 4.58 0.00 3.43 3.57 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.45 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 0.00 119 R 7.87 3.89 0.00 1.93 1.72 0.00 3.14 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 120 Y 7.88 4.14 0.00 2.72 2.43 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 0.00 121 F 8.36 4.69 0.00 3.21 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 0.00 122 E 7.88 4.10 0.00 1.99 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 2.34 2.34 0.00 123 G 9.14 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 0.00 124 I 7.55 4.21 2.14 0.00 0.00 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 1.35 0.75 1.00 0.00 0.00 125 P 0.00 4.39 0.00 2.17 2.00 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 126 D 8.73 4.40 0.00 2.69 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 0.00 127 T 7.92 3.83 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 128 V 7.62 3.57 2.29 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 0.89 0.00 0.00 0.95 0.00 0.00 129 V 7.51 3.71 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 0.54 0.00 0.00 1.10 0.00 0.00 130 N 8.81 4.47 0.00 2.96 2.84 0.00 0.00 6.70 8.05 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 0.00 131 Q 8.03 3.90 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 *133 R 7.96 4.17 0.00 1.82 2.11 0.00 3.22 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 134 D 8.32 4.67 0.00 3.04 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 0.00 135 T 8.10 3.94 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 1.26 0.00 0.00 136 L 7.89 3.96 0.00 1.86 1.74 0.90 0.98 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 0.00 137 Q 8.43 4.15 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 138 S 8.11 4.20 0.00 4.09 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 0.00 139 I 7.38 3.74 1.95 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 1.43 0.66 0.86 0.00 0.00 140 A 8.04 4.00 0.70 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 0.00 141 F 8.03 4.81 0.00 2.95 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 0.00 142 P 0.00 4.86 0.00 2.06 1.98 0.00 3.81 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.