NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 A 4.3283 8.2649 123.5850 51.4178 20.1827 176.4183 17 N 4.3153 8.6071 117.1841 52.7225 39.3596 174.2389 18 P 4.2351 0.0000 0.0000 65.7685 32.5004 178.1231 19 N 4.4218 8.2005 114.8675 56.2853 38.5498 176.9043 20 E 3.9244 8.3144 120.5167 59.1564 29.6245 178.7138 21 A 3.7931 7.9968 120.2013 55.2926 18.3776 178.4334 22 Y 4.3910 8.0785 116.7568 61.4289 38.8930 178.5410 23 R 3.8972 7.8491 117.1507 59.2667 30.3343 178.3639 24 H 4.2345 8.0143 118.0095 59.3770 29.8786 178.4143 25 Y 4.4950 7.6130 116.1477 58.4213 37.4519 178.4041 *27 K 3.8853 7.9901 120.8862 56.3809 34.4137 177.9217 28 K 3.9927 8.1390 119.3724 59.9341 31.7621 178.7190 29 L 4.1120 7.7708 117.4504 57.3022 41.5411 178.9988 30 S 4.2624 7.8885 113.1565 60.0288 63.3148 174.5776 31 Y 4.6491 7.7331 120.3277 58.7167 38.6335 174.7568 32 E 5.0468 8.0016 115.3398 54.7350 33.2435 174.9548 33 T 4.8964 8.6835 113.8236 60.5557 71.9194 172.0372 34 D 5.3853 8.4203 124.1879 51.4614 42.8123 177.1465 35 I 3.8657 8.6391 118.4215 64.6197 36.9206 178.1295 36 A 3.9300 8.0604 120.8471 55.4720 18.2561 179.0297 37 D 4.3184 8.0928 116.8435 57.5044 40.9905 179.0741 38 L 4.0027 7.9156 120.2703 58.1645 42.1440 178.7177 39 S 4.4468 8.7554 113.4933 61.7671 62.2894 176.2361 40 I 3.7327 8.0156 122.3838 64.4308 36.8408 178.0498 41 D 4.3686 8.0726 119.5130 57.5680 40.7248 178.9837 42 I 3.7517 7.8447 120.0989 64.4343 36.9414 178.4700 43 K 3.9915 7.9988 119.0880 59.2024 32.0882 178.0968 44 K 4.1979 8.1265 118.1976 56.2462 32.8511 176.0980 45 G 3.7904 8.1432 106.2121 47.0072 0.0000 173.7111 46 Y 4.4507 8.0501 120.3003 57.6729 39.5621 175.4547 47 E 4.3894 8.4569 124.9539 56.4014 30.0986 176.3441 48 G 3.5424 5.3800 105.8084 44.9672 0.0000 173.3646 49 I 5.2000 7.0533 112.3815 59.0815 41.3791 175.3392 50 I 4.3697 8.4202 123.4802 59.3374 40.1825 174.5605 51 V 4.1841 8.2586 128.1574 62.6002 32.5624 174.5866 52 V 4.6520 8.8201 128.8179 61.0538 34.3266 173.6627 53 D 3.7460 8.8096 128.1777 52.7818 42.0608 176.7845 54 V 4.1026 7.6489 125.8617 63.4906 32.6738 176.2851 55 R 4.2971 7.6961 118.9122 55.9334 30.7591 176.3687 56 D 4.5697 8.5060 118.3015 54.1428 42.7070 177.4511 57 A 3.9856 8.5633 123.2062 55.5533 18.4506 179.8479 58 E 3.9169 8.2243 116.9114 59.4036 29.6998 178.6685 59 A 4.1719 8.1283 120.3779 55.4872 18.2843 178.8354 60 Y 3.8914 7.8414 117.0820 60.6015 38.9200 177.7831 61 K 4.1931 8.0746 119.8225 59.1382 32.3543 178.4403 62 E 4.1359 8.1114 118.4896 57.6852 29.7745 176.9096 63 C 4.7490 6.8601 111.4234 58.4483 32.4945 172.2505 64 H 4.5537 7.0953 115.1307 54.4883 30.8336 172.9637 65 I 3.3027 8.0429 121.3791 60.1916 37.1795 174.4340 66 P 4.4649 0.0000 0.0000 64.6515 31.5203 176.3669 67 T 3.3660 8.2608 110.3726 62.0871 67.9715 171.4755 68 A 4.7942 7.7178 123.0572 51.6060 20.0569 177.5947 69 I 4.3119 8.6567 114.5907 59.5192 40.7689 174.3213 70 S 4.3346 7.7316 117.7325 56.7941 63.1103 174.3008 71 I 4.4083 8.3088 128.2781 58.8562 39.6658 171.7286 72 P 4.3689 0.0000 0.0000 62.8822 31.7448 176.0025 73 G 3.9453 9.0034 113.9726 49.1827 0.0000 175.7403 74 N 4.7994 7.8866 115.7419 52.4385 37.1852 175.2058 75 K 4.4209 7.9466 116.0518 56.5986 33.7051 175.5732 76 I 3.8851 7.5717 119.0613 60.7831 37.0817 174.5661 77 N 4.7541 7.7984 122.4503 52.1427 39.9645 174.6306 78 E 4.2329 8.5625 115.3725 58.5444 29.8800 178.9486 79 D 4.4013 8.0380 118.1160 56.8891 41.1029 177.2063 80 T 4.2957 7.7785 113.2012 64.0448 68.9414 175.0986 81 T 4.5955 7.4070 110.8684 60.9250 69.3083 176.1530 82 K 4.0810 7.7353 122.4740 60.0682 32.6872 178.2332 83 R 4.2421 7.8861 115.8669 56.6430 30.5787 176.1047 84 L 4.3892 7.3833 119.1852 53.5589 42.7702 176.3768 85 S 4.3218 8.5945 118.2256 57.9757 62.6604 174.4459 86 K 4.1297 8.5822 125.7474 57.3934 31.7148 177.5184 87 E 4.1906 7.9976 119.2721 57.4845 29.8822 176.5636 88 K 4.5960 7.6998 117.6827 54.8750 34.7970 176.0351 89 V 4.3857 8.3728 122.1077 61.6090 33.0207 175.1520 90 I 4.2700 8.3545 129.6231 61.2155 38.5493 175.3266 91 I 5.5768 8.7270 126.7657 58.8239 39.8515 175.0318 92 T 4.9307 8.5337 117.6723 60.5051 71.2477 173.2652 93 Y 4.9219 7.7555 118.2943 56.4424 41.0368 173.8471 94 C 4.9885 8.5704 123.1984 56.2153 46.8200 173.9713 95 W 4.1198 9.2640 114.0791 59.1971 29.6890 176.8507 96 G 4.6013 7.7021 105.9938 44.6919 0.0000 171.2929 97 P 4.1090 0.0000 0.0000 65.3568 31.3107 177.1992 98 A 4.2760 7.9400 118.2224 52.6963 18.8885 177.2788 99 C 4.9245 7.9045 115.9393 55.2572 42.6232 173.5437 100 N 4.6768 8.4541 119.8719 53.6468 39.4344 177.6902 101 G 3.9682 8.0088 107.3546 47.8157 0.0000 175.2660 102 A 4.0175 8.0741 123.4601 54.9685 18.5090 179.7530 103 T 3.8189 7.8243 113.4822 66.6451 68.6468 176.8472 104 K 3.8705 8.4978 120.4954 59.5798 32.1704 179.0796 105 A 3.9459 8.5811 120.8887 55.2740 18.2355 179.3373 106 A 4.1153 8.4177 119.1518 55.3790 18.3221 179.7749 107 A 3.9499 7.9133 118.9415 55.3760 18.5917 180.0244 108 K 3.8549 7.8547 116.5878 59.5163 32.0319 179.7270 109 F 4.1408 8.3387 117.8645 60.5781 38.9959 177.6569 110 A 4.4636 8.3937 121.8521 54.7174 17.9132 179.4268 111 Q 4.0772 8.2025 117.4393 58.5958 29.1419 177.1593 112 L 4.6049 7.5984 117.8704 54.2598 41.7833 177.1391 113 G 3.8404 7.8054 106.1366 45.9364 0.0000 173.7599 114 F 4.5488 8.3217 118.0368 55.9258 41.5163 175.5706 115 R 4.7231 8.4834 122.9373 55.4895 28.4543 175.7050 116 V 4.4645 7.8595 121.9691 60.9379 33.8121 176.3719 117 K 4.7537 8.7079 122.5472 55.5070 36.0155 174.6136 118 E 4.7167 8.8053 126.1226 55.7446 31.5763 175.6093 119 L 4.6407 8.7938 125.2220 53.5001 42.9868 175.4123 120 I 3.8774 8.0982 121.2996 61.7591 37.6431 175.1457 121 G 3.1171 9.9781 117.3490 44.3338 0.0000 174.9718 122 G 4.3144 7.8127 107.5148 45.1193 0.0000 173.4413 123 I 3.6749 8.0531 118.4941 64.4513 36.9209 177.6450 124 E 4.0797 8.6338 120.3749 60.0006 29.6030 178.7807 125 Y 4.4418 8.1306 116.0026 60.6484 37.9429 177.8416 126 W 4.1346 8.3806 129.3527 60.4682 30.6069 177.9795 127 R 4.1666 8.3316 118.4035 58.8368 29.6906 178.7688 128 K 3.9824 7.4940 114.9673 59.3852 32.0035 178.3976 129 E 4.1364 7.4207 116.3858 56.7834 30.1274 176.4298 130 N 4.6181 7.4678 114.9722 51.4646 41.0951 174.7110 131 G 4.2036 7.9803 108.8758 42.5825 0.0000 172.8418 132 L 4.2261 8.4337 126.1164 56.2177 41.0825 178.1512 133 E 4.2072 8.1396 116.1641 56.4081 29.6148 175.8039 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 16 A 8.26 4.33 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 17 N 8.61 4.32 0.00 2.90 2.78 0.00 0.00 6.80 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 18 P 0.00 4.24 0.00 2.18 2.11 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 19 N 8.20 4.42 0.00 2.85 2.92 0.00 0.00 6.68 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 20 E 8.31 3.92 0.00 2.07 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 2.28 2.33 0.00 21 A 8.00 3.79 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.08 4.39 0.00 3.05 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 23 R 7.85 3.90 0.00 1.98 1.96 0.00 3.24 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 24 H 8.01 4.23 0.00 3.17 3.09 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 25 Y 7.61 4.50 0.00 3.05 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 *27 K 7.99 3.89 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.51 7.81 28 K 8.14 3.99 0.00 1.84 2.02 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.28 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.57 7.81 29 L 7.77 4.11 0.00 1.63 1.71 0.92 0.93 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 30 S 7.89 4.26 0.00 3.77 3.74 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 31 Y 7.73 4.65 0.00 3.20 2.93 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 32 E 8.00 5.05 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 2.52 2.33 0.00 33 T 8.68 4.90 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 1.32 0.00 0.00 34 D 8.42 5.39 0.00 2.80 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 35 I 8.64 3.87 1.91 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.93 0.88 0.00 0.00 36 A 8.06 3.93 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 37 D 8.09 4.32 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 38 L 7.92 4.00 0.00 1.94 2.03 0.88 0.79 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 39 S 8.76 4.45 0.00 3.90 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 40 I 8.02 3.73 2.01 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 1.82 0.64 0.90 0.00 0.00 41 D 8.07 4.37 0.00 2.97 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 42 I 7.84 3.75 2.04 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 1.43 0.93 0.98 0.00 0.00 43 K 8.00 3.99 0.00 1.92 2.00 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 44 K 8.13 4.20 0.00 2.03 1.86 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.51 7.81 45 G 8.14 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 0.00 0.00 0.00 46 Y 8.05 4.45 0.00 3.01 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 47 E 8.46 4.39 0.00 1.80 1.83 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 2.20 2.44 0.00 48 G 5.38 3.54 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 0.00 49 I 7.05 5.20 1.90 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 1.49 0.77 1.14 0.00 0.00 50 I 8.42 4.37 1.74 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 1.06 0.64 0.82 0.00 0.00 51 V 8.26 4.18 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 1.08 0.00 0.00 0.89 0.00 0.00 52 V 8.82 4.65 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 0.85 0.00 0.00 0.73 0.00 0.00 53 D 8.81 3.75 0.00 2.65 2.42 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 54 V 7.65 4.10 1.93 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 1.01 0.00 0.00 0.86 0.00 0.00 55 R 7.70 4.30 0.00 1.67 1.63 0.00 2.74 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 56 D 8.51 4.57 0.00 2.81 2.65 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 0.00 0.00 0.00 0.00 57 A 8.56 3.99 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 58 E 8.22 3.92 0.00 2.15 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 0.00 2.43 2.70 0.00 59 A 8.13 4.17 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 60 Y 7.84 3.89 0.00 2.92 3.11 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 0.00 0.00 0.00 0.00 61 K 8.07 4.19 0.00 2.11 1.89 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.58 7.81 62 E 8.11 4.14 0.00 2.24 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 0.00 2.39 2.51 0.00 63 C 6.86 4.75 0.00 2.94 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 64 H 7.10 4.55 0.00 3.27 2.97 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.04 3.30 1.26 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.07 -0.50 0.00 0.00 66 P 0.00 4.46 0.00 2.08 2.05 0.00 3.57 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 2.22 2.14 0.00 67 T 8.26 3.37 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 1.23 0.00 0.00 68 A 7.72 4.79 1.50 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 0.00 0.00 69 I 8.66 4.31 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.97 0.87 0.00 0.00 70 S 7.73 4.33 0.00 2.72 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 71 I 8.31 4.41 1.83 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 1.13 0.80 0.82 0.00 0.00 72 P 0.00 4.37 0.00 1.86 1.96 0.00 3.60 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 73 G 9.00 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 74 N 7.89 4.80 0.00 2.79 2.89 0.00 0.00 5.69 7.13 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 75 K 7.95 4.42 0.00 1.62 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.32 7.81 76 I 7.57 3.89 1.55 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 -0.01 0.00 0.00 77 N 7.80 4.75 0.00 2.61 2.84 0.00 0.00 6.57 7.54 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 78 E 8.56 4.23 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 2.45 2.30 0.00 79 D 8.04 4.40 0.00 2.64 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 80 T 7.78 4.30 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 1.14 0.00 0.00 81 T 7.41 4.60 4.21 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 1.08 0.00 0.00 82 K 7.74 4.08 0.00 2.05 2.19 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.43 7.81 83 R 7.89 4.24 0.00 1.83 2.02 0.00 3.19 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 84 L 7.38 4.39 0.00 1.91 1.70 0.82 1.12 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 85 S 8.59 4.32 0.00 3.87 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 86 K 8.58 4.13 0.00 1.58 1.56 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.84 7.81 87 E 8.00 4.19 0.00 1.96 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 2.29 2.40 0.00 88 K 7.70 4.60 0.00 1.76 1.68 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.32 7.81 89 V 8.37 4.39 2.13 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 1.01 0.00 0.00 0.98 0.00 0.00 90 I 8.35 4.27 1.46 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 0.13 -0.17 -0.15 0.00 0.00 91 I 8.73 5.58 1.85 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 0.92 1.17 0.94 0.00 0.00 92 T 8.53 4.93 4.23 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 1.19 0.00 0.00 93 Y 7.76 4.92 0.00 2.97 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 94 C 8.57 4.99 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 95 W 9.26 4.12 0.00 3.40 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 96 G 7.70 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.11 0.00 2.07 2.14 0.00 3.71 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.46 0.00 98 A 7.94 4.28 1.29 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 99 C 7.90 4.92 0.00 3.09 3.24 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 0.00 100 N 8.45 4.68 0.00 2.80 2.83 0.00 0.00 6.74 7.60 0.00 0.00 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 G 8.01 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 0.00 102 A 8.07 4.02 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 0.00 103 T 7.82 3.82 4.36 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 1.20 0.00 0.00 104 K 8.50 3.87 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.59 7.81 105 A 8.58 3.95 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 0.00 106 A 8.42 4.12 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 0.00 107 A 7.91 3.95 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 0.00 108 K 7.85 3.85 0.00 1.68 1.65 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.58 7.81 109 F 8.34 4.14 0.00 3.23 3.03 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 0.00 110 A 8.39 4.46 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 0.00 111 Q 8.20 4.08 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.13 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 L 7.60 4.60 0.00 2.21 2.03 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.81 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 0.00 114 F 8.32 4.55 0.00 3.41 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 0.00 115 R 8.48 4.72 0.00 1.98 1.87 0.00 3.26 0.00 0.00 3.41 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 116 V 7.86 4.46 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 0.89 0.00 0.00 0.90 0.00 0.00 117 K 8.71 4.75 0.00 1.85 1.67 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.52 7.81 118 E 8.81 4.72 0.00 2.12 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 2.44 2.31 0.00 119 L 8.79 4.64 0.00 1.84 1.84 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.10 3.88 1.94 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 1.53 0.83 0.97 0.00 0.00 121 G 9.98 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 0.00 0.00 0.00 122 G 7.81 4.31 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 0.00 123 I 8.05 3.67 1.95 0.00 0.00 0.71 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 0.67 1.03 0.00 0.00 124 E 8.63 4.08 0.00 2.30 2.23 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 2.56 2.53 0.00 125 Y 8.13 4.44 0.00 3.09 2.99 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 0.00 126 W 8.38 4.13 0.00 3.45 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 0.00 127 R 8.33 4.17 0.00 2.03 2.06 0.00 3.29 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 128 K 7.49 3.98 0.00 1.87 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.70 7.81 129 E 7.42 4.14 0.00 1.54 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 130 N 7.47 4.62 0.00 1.44 2.22 0.00 0.00 6.83 7.87 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 0.00 131 G 7.98 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 0.00 0.00 0.00 0.00 132 L 8.43 4.23 0.00 1.91 1.93 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.14 4.21 0.00 1.98 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 0.00 2.08 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.