NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4989 8.1476 120.3638 55.0676 33.7213 176.1408 2 S 4.2201 8.5283 118.2890 60.8372 62.9526 175.0387 3 Q 4.0163 8.8451 124.0936 58.9206 29.3117 179.1914 4 S 4.1289 8.0282 115.8613 61.7040 62.9041 176.2635 5 N 4.4509 8.1444 118.7109 56.3869 38.3016 177.7774 6 R 3.9815 7.9659 119.1401 59.1324 30.1317 178.7417 7 E 3.9185 8.1458 119.0594 58.9128 29.6173 178.6442 8 L 3.8093 7.8960 120.5264 58.0075 42.1771 179.0228 9 V 3.9216 8.0667 118.3147 66.3110 31.4710 178.1851 10 V 3.0439 7.7679 117.8782 65.7267 31.2315 177.4825 11 D 4.2152 8.1543 117.9340 57.1054 40.9650 178.0693 12 F 3.9766 8.2324 121.1709 61.2965 39.4176 177.1892 13 L 4.2076 8.2281 118.7004 57.9923 41.3719 179.7384 14 S 4.4490 8.3244 115.2395 61.7658 62.7027 176.0309 15 Y 3.8951 8.0798 122.2314 60.5532 38.5686 178.2010 16 K 3.7053 8.2387 120.6839 59.2791 32.2725 178.7369 17 L 4.1369 8.3528 119.6748 57.9238 41.6509 179.2182 18 S 4.4879 8.3781 113.1877 61.8473 62.0519 175.9342 19 Q 3.8211 7.7625 120.6729 58.8224 28.7222 177.6947 20 K 4.3829 7.7838 116.0443 56.2097 32.5052 177.5150 21 G 3.7663 8.0922 108.1157 45.3424 0.0000 173.1132 22 Y 4.5486 7.8561 117.6643 56.1439 39.8213 174.9186 23 S 4.1152 8.4442 115.5073 57.6116 63.1264 173.3849 24 W 4.8832 7.1503 122.1112 56.4137 28.2806 176.9896 25 S 4.1774 7.5782 117.6000 61.6040 62.3140 176.3374 26 Q 4.0080 7.7644 118.1457 57.8728 28.8532 176.8014 27 F 4.5030 6.9579 116.2747 56.5871 40.7233 175.4521 *81 I 3.8997 8.0914 124.0156 61.8487 36.9747 173.6489 82 P 4.5817 0.0000 0.0000 62.8065 32.1231 177.1940 83 M 4.2227 7.6693 117.5651 56.1326 34.1964 176.5558 84 A 3.9647 8.5522 123.2943 55.2885 18.5632 180.2010 85 A 3.9415 7.8826 119.0140 55.0678 18.5473 179.9111 86 V 3.6211 7.6434 116.3263 66.1699 31.6884 178.2507 87 K 3.7921 7.9262 118.2172 59.4200 31.8590 179.1936 88 Q 3.7716 8.1998 119.5963 58.9849 28.9646 177.9684 89 A 3.8954 8.1050 121.8810 55.1491 18.3388 179.4274 90 L 4.1183 8.1818 118.8382 58.1901 42.1726 179.2596 91 R 3.5805 8.0185 118.1964 59.3824 29.9503 178.9719 92 E 4.0853 8.2971 117.9807 59.1850 29.4687 179.2083 93 A 4.3657 8.7059 121.6200 55.2229 18.4337 179.9685 94 G 4.0451 8.8370 104.6595 48.1202 0.0000 175.7461 95 D 4.5620 8.0820 119.9839 57.2470 41.2083 178.1272 96 E 4.1909 8.5460 119.8417 59.2496 29.5791 178.5775 97 F 4.4425 8.6727 120.7108 61.5684 39.3883 176.7186 98 E 4.4154 8.3604 117.1676 57.4548 29.3201 178.7514 99 L 4.0919 7.5555 120.7226 58.1799 42.3450 178.7677 100 R 4.0136 7.6874 115.8379 58.1072 30.5882 176.7693 101 Y 4.3281 7.6507 122.6767 56.6164 37.2384 176.0172 102 R 4.5242 8.1598 122.8291 55.8800 30.2741 177.0453 103 R 4.1850 8.0902 117.1227 56.3752 30.5794 175.5391 104 A 4.3421 8.4138 117.9252 55.4231 16.4028 176.4663 105 F 3.9404 7.9085 112.5705 58.9614 37.5005 178.4789 106 S 4.2045 8.2826 119.2012 61.2488 62.8163 176.0309 107 D 4.4845 8.1227 120.9157 56.1567 39.5648 178.5436 108 L 4.0506 8.1501 120.7412 57.8506 41.1579 179.5956 109 T 4.1636 9.1420 110.5200 64.8903 68.4990 176.9412 110 S 4.2584 7.8575 117.1419 61.5547 62.9209 176.2701 111 Q 4.1607 8.3672 120.3198 58.6653 28.4841 178.3931 112 L 4.1046 7.9930 120.5138 57.5005 43.7077 176.3813 113 H 4.0134 8.7076 116.6584 57.0635 28.0747 172.9003 114 I 4.1314 7.5143 120.1183 60.3332 39.3534 174.5808 115 T 4.7187 8.6104 116.1543 59.3995 71.9005 172.6309 116 P 4.4303 0.0000 0.0000 64.0639 31.2308 177.6132 117 G 3.9371 7.7172 106.3103 46.1896 0.0000 174.7471 118 T 3.9640 7.7030 117.3893 63.8039 69.0368 173.7415 119 A 4.7564 8.4057 128.4946 50.9311 20.9494 177.0819 120 Y 2.6459 8.7641 121.3308 60.6740 38.6327 179.1106 121 Q 4.0116 7.9936 117.5256 59.1933 28.3855 178.7849 122 S 4.0211 8.0324 117.7442 61.1703 62.8106 176.1686 123 F 3.9740 7.3931 122.7985 61.2206 39.0862 176.2699 124 E 3.7485 7.8218 119.1826 59.6638 29.0589 178.9543 125 Q 3.8812 7.6690 116.3992 58.7733 29.0728 178.7753 126 V 3.5638 7.3257 119.2633 65.8935 31.5954 178.3490 127 V 2.9561 7.4753 118.2847 65.6926 31.1289 177.4695 128 N 4.5390 8.0868 117.7854 55.7264 38.0813 176.9418 129 E 3.9050 7.7035 118.9311 59.3056 29.5417 179.0814 130 L 3.8466 7.7357 118.3123 56.1468 41.7386 177.5973 131 F 5.0480 7.6938 118.1552 56.8918 39.7116 177.8763 132 R 3.8946 8.2887 122.1864 58.9959 29.9819 177.5000 133 D 4.6648 8.1652 115.0825 53.7574 41.0482 176.6724 134 G 3.8264 8.0732 106.5394 44.8295 0.0000 173.4716 135 V 3.9125 7.3310 117.7936 61.9684 32.5089 174.9372 136 N 3.8798 7.4273 121.1967 49.8958 41.2551 175.5367 137 W 4.7637 8.6950 121.2225 60.2962 29.2093 178.9710 138 G 3.9266 8.5670 105.0434 48.0905 0.0000 175.7974 139 R 3.7606 8.9981 120.6894 58.8993 30.0494 179.2211 140 I 4.0648 7.9695 119.9413 64.3078 37.0469 178.6438 141 V 3.6757 8.1954 119.0692 65.9358 31.3427 177.8922 142 A 3.1871 7.9059 120.6751 54.6948 18.1041 179.3309 143 F 3.9299 8.1543 119.0464 61.5510 39.5557 177.3058 144 F 3.3071 8.0436 117.1169 60.3855 38.5805 177.6335 145 S 4.5571 8.1746 112.7582 61.3712 62.1479 176.0202 146 F 3.7350 8.3761 123.9379 60.9817 38.9594 177.2341 147 G 3.5146 7.8653 105.4679 47.6593 0.0000 175.6351 148 G 3.8719 8.3149 107.9899 47.6495 0.0000 175.4816 149 A 4.0730 8.2107 123.4510 54.7873 18.4414 179.6742 150 L 3.7912 7.7359 117.4580 58.1659 41.7902 179.5020 151 C 4.0034 8.1514 116.7319 62.7801 27.9642 176.4075 152 V 3.0586 7.8661 119.7885 65.8746 31.0951 177.8677 153 E 3.9211 8.1593 118.2343 59.5838 29.2398 179.5561 154 S 4.0574 8.0093 115.0869 61.6028 62.8793 177.0037 155 V 3.4554 7.5097 120.6739 65.9961 30.9905 177.8459 156 D 4.5041 8.0625 118.0617 56.8526 40.6694 177.8449 157 K 4.3428 7.7782 116.5268 55.3823 32.3614 176.3578 158 E 3.7883 8.1041 117.4336 58.2728 27.8874 174.5683 159 M 4.8149 8.3502 113.4137 54.1602 32.9424 177.8111 160 Q 3.9777 7.8811 119.1182 58.6625 28.9895 178.9433 161 V 3.5575 7.6496 119.1956 64.5339 31.5418 177.5699 162 L 3.9825 7.8221 118.2759 56.1378 41.6553 179.2764 163 V 3.6168 7.4493 113.0216 64.0555 31.4597 178.3367 164 S 4.2777 7.6565 113.5571 60.8100 63.0455 176.4912 165 R 3.4491 7.3716 122.0591 59.1931 29.8101 178.1308 166 I 3.3046 7.7881 119.6520 64.3243 37.0734 178.2298 167 A 4.0586 7.9994 121.1782 55.0330 18.1444 179.6251 168 A 3.9837 7.8445 118.7894 55.0377 18.4130 179.7108 169 W 4.4870 8.3309 117.7374 60.5333 29.1532 178.6013 170 M 4.6211 8.6055 118.5832 58.6705 31.4583 178.7584 171 A 4.1904 8.3769 120.8640 55.5428 18.5442 179.8930 172 T 3.8797 8.3428 114.5828 66.7573 68.4960 176.4892 173 Y 4.1114 8.7359 123.2481 59.9831 38.9289 177.7132 174 L 3.8741 8.3066 121.2344 58.3922 42.0804 178.7552 175 N 4.4527 7.9042 114.8385 56.1618 38.4694 176.7501 176 D 4.2608 7.7729 118.6692 57.2689 41.5797 177.3739 177 H 4.3813 8.0364 114.9870 56.6121 29.6515 176.6752 178 L 4.1383 7.2526 119.5281 56.0971 42.4618 178.3251 179 E 3.9295 8.4562 119.0684 58.8685 29.2125 177.4042 180 P 4.1680 0.0000 0.0000 65.5420 31.4754 178.3920 181 W 3.8516 7.9795 126.4112 60.0740 30.5908 178.0560 182 I 3.2702 7.6344 119.8875 64.4545 36.3346 178.4632 183 Q 3.9042 8.0113 117.7775 58.8477 28.5661 178.2333 184 E 3.9818 7.5929 119.3713 57.8317 29.6332 177.3390 185 N 4.6734 7.2419 115.6402 52.7081 39.9554 175.7424 186 G 3.8355 8.1693 109.6213 44.2905 0.0000 175.3062 187 G 3.8853 8.3796 109.0711 44.7283 0.0000 174.2974 188 W 4.5821 8.5458 116.9770 59.2353 28.7457 178.3471 189 D 4.4829 8.2875 119.5878 57.5717 40.3024 178.4548 190 T 4.0032 8.0776 110.2253 64.2174 68.8642 176.6038 191 F 3.0993 7.8101 123.2304 61.0127 39.2001 177.1060 192 V 3.4613 7.8399 116.3562 65.8378 31.3776 177.0930 193 E 3.9977 8.2655 118.6571 59.1652 29.4874 178.3688 194 L 3.9192 7.7954 119.6137 59.1726 42.7551 176.5039 195 Y 4.6081 9.7241 118.5739 57.8417 40.1167 176.0393 196 G 3.4106 9.0128 113.0895 46.3564 0.0000 172.5802 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 M 8.15 4.50 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 2 S 8.53 4.22 0.00 4.19 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 3 Q 8.85 4.02 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 4 S 8.03 4.13 0.00 4.12 4.04 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 5 N 8.14 4.45 0.00 3.11 3.02 0.00 0.00 7.06 7.23 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 6 R 7.97 3.98 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 7 E 8.15 3.92 0.00 2.25 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 0.00 2.25 2.28 0.00 8 L 7.90 3.81 0.00 1.84 1.84 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.07 3.92 2.38 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 1.04 0.00 0.00 1.12 0.00 0.00 10 V 7.77 3.04 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 0.57 0.00 0.00 0.63 0.00 0.00 11 D 8.15 4.22 0.00 2.83 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 12 F 8.23 3.98 0.00 3.09 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 13 L 8.23 4.21 0.00 1.90 2.07 1.11 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.32 4.45 0.00 3.88 3.92 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 15 Y 8.08 3.90 0.00 2.97 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 16 K 8.24 3.71 0.00 1.76 1.91 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.58 7.81 17 L 8.35 4.14 0.00 2.16 2.08 1.14 0.52 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 18 S 8.38 4.49 0.00 3.44 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 19 Q 7.76 3.82 0.00 1.45 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 20 K 7.78 4.38 0.00 2.29 2.02 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.88 1.79 7.81 21 G 8.09 3.77 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 0.00 0.00 0.00 22 Y 7.86 4.55 0.00 3.10 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 23 S 8.44 4.12 0.00 3.65 3.65 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 24 W 7.15 4.88 0.00 3.64 3.40 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 25 S 7.58 4.18 0.00 3.72 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 26 Q 7.76 4.01 0.00 1.40 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 27 F 6.96 4.50 0.00 3.22 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 *81 I 8.09 3.90 1.92 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 0.98 0.00 0.00 82 P 0.00 4.58 0.00 2.36 2.24 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 83 M 7.67 4.22 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 84 A 8.55 3.96 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 85 A 7.88 3.94 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 86 V 7.64 3.62 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 0.58 0.00 0.00 0.98 0.00 0.00 87 K 7.93 3.79 0.00 1.89 1.90 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.44 7.81 88 Q 8.20 3.77 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 89 A 8.10 3.90 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 90 L 8.18 4.12 0.00 1.74 1.52 0.35 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.02 3.58 0.00 1.65 0.78 0.00 2.82 0.00 0.00 2.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.56 0.00 92 E 8.30 4.09 0.00 2.26 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 0.00 2.33 2.56 0.00 93 A 8.71 4.37 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 94 G 8.84 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 95 D 8.08 4.56 0.00 3.00 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 96 E 8.55 4.19 0.00 2.24 2.33 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 2.47 2.56 0.00 97 F 8.67 4.44 0.00 3.47 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 98 E 8.36 4.42 0.00 2.38 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 0.00 2.65 2.76 0.00 99 L 7.56 4.09 0.00 1.92 1.67 0.95 1.07 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 0.00 100 R 7.69 4.01 0.00 0.67 1.25 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.80 0.00 101 Y 7.65 4.33 0.00 2.17 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 0.00 102 R 8.16 4.52 0.00 1.89 2.12 0.00 3.01 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 103 R 8.09 4.18 0.00 1.82 1.86 0.00 3.33 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 104 A 8.41 4.34 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 0.00 105 F 7.91 3.94 0.00 3.59 3.29 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 0.00 106 S 8.28 4.20 0.00 3.92 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 0.00 107 D 8.12 4.48 0.00 2.98 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 0.00 108 L 8.15 4.05 0.00 2.16 1.66 0.72 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 109 T 9.14 4.16 4.50 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 1.46 0.00 0.00 110 S 7.86 4.26 0.00 4.17 4.01 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 0.00 111 Q 8.37 4.16 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 112 L 7.99 4.10 0.00 1.79 1.98 1.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.71 4.01 0.00 3.39 3.32 0.00 6.00 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.51 4.13 2.06 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 1.50 1.11 0.95 0.00 0.00 115 T 8.61 4.72 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 1.13 0.00 0.00 116 P 0.00 4.43 0.00 2.05 2.11 0.00 3.65 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 2.00 2.03 0.00 117 G 7.72 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.70 3.96 4.65 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 1.38 0.00 0.00 119 A 8.41 4.76 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 0.00 120 Y 8.76 2.65 0.00 2.85 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 0.00 121 Q 7.99 4.01 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 122 S 8.03 4.02 0.00 3.94 3.92 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 0.00 123 F 7.39 3.97 0.00 2.31 2.35 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 0.00 124 E 7.82 3.75 0.00 1.30 1.79 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 2.34 2.60 0.00 125 Q 7.67 3.88 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 126 V 7.33 3.56 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 0.86 0.00 0.00 0.91 0.00 0.00 127 V 7.48 2.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 -0.17 0.00 0.00 128 N 8.09 4.54 0.00 2.94 2.85 0.00 0.00 6.82 7.59 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 0.00 129 E 7.70 3.90 0.00 1.80 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 0.00 2.39 2.38 0.00 130 L 7.74 3.85 0.00 0.55 0.77 0.42 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.69 5.05 0.00 2.98 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 0.00 132 R 8.29 3.89 0.00 1.74 1.97 0.00 3.31 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 133 D 8.17 4.66 0.00 2.61 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 0.00 134 G 8.07 3.83 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 0.00 0.00 0.00 135 V 7.33 3.91 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 0.00 0.00 -0.28 0.00 0.00 0.34 0.00 0.00 136 N 7.43 3.88 0.00 2.92 2.65 0.00 0.00 6.12 8.88 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 0.00 137 W 8.69 4.76 0.00 3.86 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 0.00 138 G 8.57 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 0.00 139 R 9.00 3.76 0.00 1.87 1.41 0.00 3.05 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.70 0.00 140 I 7.97 4.06 2.30 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.07 1.36 0.00 0.00 141 V 8.20 3.68 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 1.10 0.00 0.00 1.06 0.00 0.00 142 A 7.91 3.19 1.15 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 0.00 143 F 8.15 3.93 0.00 3.19 3.32 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 0.00 144 F 8.04 3.31 0.00 2.71 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 0.00 145 S 8.17 4.56 0.00 4.24 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 0.00 146 F 8.38 3.74 0.00 1.68 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 0.00 147 G 7.87 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.31 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 0.00 149 A 8.21 4.07 1.60 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 0.00 150 L 7.74 3.79 0.00 1.60 1.59 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.15 4.00 0.00 3.12 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 0.00 152 V 7.87 3.06 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 1.05 0.00 0.00 0.87 0.00 0.00 153 E 8.16 3.92 0.00 2.19 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 2.35 2.55 0.00 154 S 8.01 4.06 0.00 3.90 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 0.00 155 V 7.51 3.46 1.70 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 1.13 0.00 0.00 0.73 0.00 0.00 156 D 8.06 4.50 0.00 2.87 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 0.00 157 K 7.78 4.34 0.00 1.70 1.82 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.68 7.81 158 E 8.10 3.79 0.00 2.12 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 0.00 2.24 2.40 0.00 159 M 8.35 4.81 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.42 0.00 160 Q 7.88 3.98 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 161 V 7.65 3.56 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 0.71 0.00 0.00 0.84 0.00 0.00 162 L 7.82 3.98 0.00 1.56 1.48 0.84 0.65 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 0.00 163 V 7.45 3.62 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 0.69 0.00 0.00 0.17 0.00 0.00 164 S 7.66 4.28 0.00 4.03 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 0.00 165 R 7.37 3.45 0.00 1.47 1.39 0.00 2.48 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 166 I 7.79 3.30 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.25 0.85 0.00 0.00 167 A 8.00 4.06 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.84 3.98 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 0.00 169 W 8.33 4.49 0.00 3.17 2.39 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 0.00 170 M 8.61 4.62 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.50 0.00 171 A 8.38 4.19 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 0.00 172 T 8.34 3.88 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 0.83 0.00 0.00 173 Y 8.74 4.11 0.00 3.71 3.50 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 0.00 174 L 8.31 3.87 0.00 2.17 1.77 1.28 0.85 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 0.00 175 N 7.90 4.45 0.00 2.86 2.87 0.00 0.00 7.09 8.03 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 0.00 176 D 7.77 4.26 0.00 2.56 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 0.00 177 H 8.04 4.38 0.00 2.19 2.71 0.00 5.88 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.25 4.14 0.00 1.58 1.42 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.46 3.93 0.00 2.08 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 2.57 2.57 0.00 180 P 0.00 4.17 0.00 2.09 2.05 0.00 3.51 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 181 W 7.98 3.85 0.00 3.23 3.09 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 0.00 0.00 0.00 182 I 7.63 3.27 1.78 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.60 0.35 0.00 0.00 183 Q 8.01 3.90 0.00 1.89 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.02 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 184 E 7.59 3.98 0.00 1.78 1.81 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 2.11 2.11 0.00 185 N 7.24 4.67 0.00 1.44 2.20 0.00 0.00 7.29 7.58 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 0.00 186 G 8.17 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 0.00 187 G 8.38 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 0.00 0.00 0.00 188 W 8.55 4.58 0.00 3.53 3.32 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 0.00 189 D 8.29 4.48 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 0.00 190 T 8.08 4.00 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 1.35 0.00 0.00 191 F 7.81 3.10 0.00 2.31 3.31 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 0.00 192 V 7.84 3.46 2.25 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 0.85 0.00 0.00 1.16 0.00 0.00 193 E 8.27 4.00 0.00 1.94 2.17 0.00 0.00 0.00 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 2.29 0.00 194 L 7.80 3.92 0.00 1.63 1.46 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 9.72 4.61 0.00 2.01 2.38 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 0.00 196 G 9.01 3.41 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 0.00 * Residues marked with a * may have inaccurate shift predictions.