NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5584 8.3049 118.1999 54.2051 32.6200 174.6621 2 W 3.7601 8.8494 119.0251 56.5509 29.3175 174.4037 3 A 4.4656 8.6032 125.6688 50.6890 22.5105 175.2387 4 F 5.2205 8.4864 118.7180 55.0055 40.9346 173.7583 5 P 4.3990 0.0000 0.0000 63.1112 31.7618 176.3382 6 E 4.6360 8.5211 118.1138 57.4892 31.0122 176.2918 7 R 4.9132 7.5352 117.3351 54.2941 33.4495 176.0314 8 F 4.7656 8.6365 120.5295 55.7903 41.9263 173.0938 9 E 4.6054 8.8482 123.3424 55.8514 30.2821 176.5237 10 G 4.4636 8.4801 110.9148 42.6789 0.0000 172.9492 11 R 4.3558 8.9545 116.4410 57.3036 30.5194 176.9506 12 H 4.9016 8.4648 112.7976 56.9278 31.9042 173.7724 13 V 5.0988 8.8571 111.2920 59.4819 36.4099 174.7363 14 R 5.1551 8.5860 117.9177 54.6586 32.5274 174.4471 15 L 5.1866 9.0109 122.8291 53.0940 44.1558 175.2709 16 E 5.9652 8.6880 117.6437 54.9535 33.2647 171.9392 17 P 4.5000 0.0000 0.0000 63.0309 32.0114 175.8483 18 L 4.1427 8.4068 127.2089 55.6865 42.1757 176.5602 19 A 4.4868 7.9445 129.3614 50.3182 20.5810 177.5795 20 L 4.1430 8.2243 119.9306 57.1926 42.3381 178.4544 21 A 4.1758 7.8696 119.8184 54.8426 18.9090 177.2942 22 H 4.8480 8.1541 113.0066 56.0074 29.1435 177.2799 23 L 4.4101 8.0047 124.5130 58.0277 41.7206 177.1080 24 P 4.3153 0.0000 0.0000 65.0969 31.5304 178.0497 25 A 4.0452 7.5321 118.6446 55.0389 18.7288 179.6172 26 F 4.6312 7.8830 115.8617 60.6648 38.9233 177.0756 27 L 4.2618 7.9152 117.7443 56.7469 42.0496 177.9936 28 R 4.1249 7.4902 117.2820 58.1294 30.4016 175.6199 29 H 4.7336 7.1538 114.5296 55.1175 29.6695 173.2486 30 Y 4.3381 8.2359 121.1892 57.5915 38.8849 173.9818 31 D 4.5640 8.1680 126.6960 51.4579 43.6676 174.2831 32 P 4.1298 0.0000 0.0000 65.5116 31.4363 177.2238 33 E 4.0053 8.8343 117.9866 58.3522 29.6663 177.1409 34 V 4.1957 7.9902 117.8214 63.6821 31.3393 176.4886 *36 R 4.1218 7.9436 118.1363 55.7364 31.6407 176.9642 37 F 5.1317 7.6171 114.6039 56.7416 38.7586 175.8980 38 L 4.9286 7.3799 118.5969 52.6936 45.7691 177.4819 39 S 4.1414 8.9780 116.8672 60.6183 62.5238 174.2885 40 R 4.5109 7.8609 118.8632 54.3470 30.7509 175.4620 41 A 4.5027 8.2737 125.4082 49.8973 22.0538 173.8740 42 P 4.3704 0.0000 0.0000 63.0477 31.8969 176.5314 43 V 4.0185 7.9139 110.8733 62.4870 32.3400 176.1897 44 A 4.4128 7.1484 119.3542 50.7633 21.8076 174.9939 45 P 3.9202 0.0000 0.0000 62.0649 29.6665 176.2933 46 T 4.6424 6.8130 111.8129 59.7068 73.8027 174.5151 47 E 3.9909 8.6102 122.0216 58.9572 29.2160 178.7670 48 E 3.9296 8.0647 119.1915 58.9957 29.5775 178.3297 49 A 3.9622 7.7673 120.4583 55.2131 18.4502 179.6616 50 L 3.9068 7.8028 117.4859 57.7211 41.4577 179.7198 51 R 3.8762 7.8492 118.3312 59.3564 29.8730 178.0942 52 A 4.1746 7.5051 117.3919 53.8573 18.5098 178.6100 53 H 4.3666 7.6860 117.2453 58.8400 30.1869 177.1512 54 L 3.8097 8.0828 121.0493 57.9835 41.6646 179.4315 55 E 4.0796 7.9946 118.4023 59.3509 29.0700 179.7851 56 G 3.5825 7.4408 105.0357 47.4062 0.0000 175.6918 57 L 4.0806 7.4788 120.7024 57.6630 41.7562 179.0477 58 L 4.2733 7.8210 116.3336 56.0364 41.5215 177.9581 59 G 4.0233 7.3669 106.8987 44.9510 0.0000 172.6799 60 E 4.2170 7.7087 121.1693 53.5743 30.5227 172.9753 61 P 4.0951 0.0000 0.0000 63.4502 31.4314 176.4114 62 G 3.9460 8.6108 114.6648 46.8386 0.0000 172.6246 63 R 4.5334 7.8236 116.7947 53.9929 32.9375 174.1302 64 V 4.0456 7.4801 125.6370 61.1732 33.7285 174.2149 65 N 5.5539 7.9174 123.6258 50.5816 42.1730 173.4747 66 W 5.7833 8.8676 119.4892 55.1939 33.9554 174.0245 67 A 4.8162 9.1095 125.1376 50.4735 20.5905 176.6076 68 I 3.9058 8.4218 124.2208 61.4717 37.6527 175.3297 69 L 4.7645 8.5622 128.5110 53.7080 42.7062 176.1025 70 F 4.7157 9.1324 128.4442 56.2610 40.9395 174.9427 71 G 3.2502 8.1366 117.1972 46.7938 0.0000 172.4302 72 K 3.8571 7.9097 109.6778 56.6189 30.7256 175.2656 73 E 4.6574 7.4973 115.9712 54.5127 32.7904 174.3589 74 V 4.0716 8.3683 124.3259 62.8587 32.2203 175.6033 75 A 3.3971 9.0987 129.9226 51.2657 21.2263 177.1890 76 G 3.8675 7.0409 105.0831 45.7812 0.0000 171.9523 77 R 4.9714 7.9211 117.8674 55.5482 33.2063 174.1708 78 I 5.1113 8.5565 120.2458 59.9115 41.9964 174.0725 79 S 5.0417 9.1526 122.2146 57.5089 67.4050 173.2951 80 V 4.6657 8.0085 114.8963 60.1349 33.0880 175.2494 81 I 4.4346 8.4698 126.7832 59.5498 39.8487 175.6814 82 A 3.6949 8.4199 125.7269 52.7199 15.6609 177.4786 83 P 4.3874 0.0000 0.0000 63.8377 30.5885 176.4218 84 E 4.3925 8.0460 124.6008 53.1713 28.9259 175.4321 85 P 2.9700 0.0000 0.0000 64.0942 31.6494 178.5205 86 E 3.8745 7.7047 117.3506 59.8086 29.4535 177.4400 87 H 4.3897 8.1885 112.6232 55.1387 29.7047 175.2691 88 A 4.1063 7.5352 122.6905 52.5086 15.9872 175.5957 89 K 5.8727 7.9046 121.0132 55.7260 37.4792 176.5075 90 L 4.6144 8.0750 118.0619 55.4086 43.1203 172.8359 91 E 5.4192 8.7904 121.0706 53.7963 32.8212 174.6765 92 L 4.9203 7.5893 122.4504 52.9646 45.0164 175.9829 93 G 4.3283 9.0985 112.6429 44.6803 0.0000 172.2625 94 T 5.5008 8.2524 114.3194 60.3834 72.5458 172.9718 95 M 4.6753 8.2094 116.2244 54.8277 34.6772 173.6649 96 L 5.1078 8.7796 120.2336 52.6974 46.2134 176.4236 97 F 4.3710 8.5368 120.8720 57.3672 39.9466 176.2944 98 K 2.0000 8.3868 125.5702 58.6743 31.6782 176.8351 99 P 4.1617 0.0000 0.0000 63.5116 30.7451 176.4967 100 F 5.0194 7.9346 116.6623 56.5450 40.8020 175.0580 101 W 4.5315 8.0209 122.2523 57.6580 28.9004 175.7490 102 G 4.0110 8.9573 110.7222 45.3000 0.0000 173.4365 103 S 4.7253 7.8646 115.5521 55.9256 64.9407 173.5453 104 P 4.2452 0.0000 0.0000 64.0146 30.9149 178.3065 105 A 3.7479 7.2427 120.7747 55.2147 17.8164 179.1400 106 N 4.2009 7.9404 114.6494 56.7204 39.0771 176.9680 107 K 3.9334 7.8189 119.1995 59.6240 32.3100 178.9033 108 E 4.0115 8.6866 119.5613 59.0040 28.2779 178.3749 109 A 3.9653 8.3381 121.4763 55.2423 18.3796 179.8299 110 K 4.0136 7.7838 115.4062 59.5507 32.2896 178.6250 111 Y 4.4554 8.0087 119.9173 61.1643 38.4561 178.5009 112 L 3.6358 7.8916 119.3675 57.7495 41.5694 179.4581 113 L 3.6632 6.9503 115.6030 56.7561 41.5447 179.4946 114 L 3.5207 8.0565 119.9287 57.5136 41.4562 179.6499 115 R 4.1212 7.6057 116.0855 59.6190 29.4737 178.2289 116 H 4.1246 7.8881 118.4026 57.8747 29.6196 176.9539 117 A 3.6375 7.0880 122.7911 54.6749 18.8501 179.4344 118 F 4.4155 7.1824 115.9925 60.6867 38.9282 178.1028 119 E 4.0552 8.2611 116.7372 60.1530 29.2429 179.0393 120 V 3.7589 7.6608 118.2683 65.2037 31.5644 177.2891 121 L 3.5155 8.0306 121.1516 55.3582 41.6500 177.7453 122 R 4.5040 7.5860 114.3545 55.5265 28.1616 176.2360 123 A 4.2533 8.1674 120.8437 52.8937 18.7272 177.7138 124 E 4.8981 9.1105 118.4698 56.1933 31.9917 175.9161 125 R 4.8581 7.9573 118.4120 55.3614 34.2351 174.1830 126 V 5.3883 8.7244 123.9740 61.1152 33.9689 173.5411 127 Q 5.3635 8.4963 125.8729 54.9987 31.5848 174.4942 128 F 4.9780 9.6708 119.3125 55.8095 42.5328 174.1262 129 K 4.8920 8.6082 123.0560 55.2271 32.9045 176.3063 130 V 4.6351 8.3741 118.4695 59.0570 35.6802 174.8890 131 D 4.7064 8.5448 122.4022 54.0656 41.6873 176.7568 132 L 3.9268 8.4688 128.2235 58.3943 42.0534 178.6286 133 R 3.7727 9.1093 118.4545 58.6316 30.1628 176.8933 134 N 4.2651 7.3785 117.5018 52.8029 37.0657 174.8427 135 E 3.8649 8.0215 123.3854 58.1970 29.7357 178.2306 136 R 3.6931 7.7970 118.7033 59.7087 30.3338 178.6254 137 S 4.0145 8.8517 115.0066 61.3723 62.2584 176.8642 138 Q 3.9384 7.4764 120.4960 59.1522 28.3858 179.0424 139 R 3.9873 7.9165 118.1132 58.4472 30.1244 178.9184 140 A 3.8223 7.4491 121.4551 54.7742 18.5031 179.2218 141 L 3.8627 7.5191 116.1085 56.5909 41.4498 179.3461 142 E 3.8036 7.2114 117.3155 59.1327 29.5401 178.5463 143 A 4.1176 7.2419 118.6254 53.8315 18.6031 179.2567 144 L 4.0320 6.8938 118.0676 58.9052 42.4228 176.5513 145 G 3.3603 7.2006 109.0352 44.7974 0.0000 173.5313 146 A 4.2389 7.3702 124.3707 52.1738 19.3496 176.6982 147 V 4.3907 8.3820 121.1445 61.2380 33.9696 175.2461 148 R 4.0440 8.7636 128.2628 56.0444 29.2295 175.4914 149 E 4.1263 8.8083 127.1672 57.7563 30.5281 177.2169 150 G 3.8917 6.7218 103.6789 46.3650 0.0000 171.1197 151 V 4.7535 8.0263 118.9893 60.8891 34.0997 175.6892 152 L 4.2901 9.1186 129.1229 53.8435 42.0629 176.4124 153 R 4.1846 8.5713 123.8114 56.2564 30.3980 177.6372 154 K 4.0453 8.8236 126.5318 57.6932 30.2863 175.5456 155 N 4.5028 8.2815 118.3391 56.1179 39.6978 174.7894 156 R 4.6965 7.4863 112.6298 54.1639 33.9501 173.9485 157 R 4.2544 8.0661 119.5591 54.0859 31.5828 176.2126 158 L 4.1885 8.7305 125.9469 53.9451 42.1632 176.4277 159 P 4.3855 0.0000 0.0000 64.8346 31.3031 176.8926 160 D 4.7106 8.1378 116.5014 53.7496 41.3179 177.0493 161 G 3.8385 8.5542 109.3228 44.8681 0.0000 174.0423 162 A 4.3331 7.6181 122.3806 51.8926 19.5021 176.6767 163 F 4.7005 9.2538 121.7583 57.0427 40.2170 175.0289 164 R 4.5626 9.0114 123.6528 55.0284 32.6089 175.0821 165 D 5.4191 8.4027 125.8759 52.0754 40.6872 173.3985 166 D 4.8198 8.2246 121.5358 54.2622 42.4181 175.1710 167 V 4.2105 9.4088 125.8863 62.1123 33.4401 174.6943 168 V 4.4877 8.6033 128.3816 61.8270 33.0581 174.2437 169 Y 5.8481 8.6993 124.6847 55.6392 42.4367 174.3570 170 S 5.8664 8.2778 113.2212 59.0492 64.8840 174.8092 171 V 4.8716 8.1551 119.4446 61.1717 34.4296 175.0408 172 L 4.5159 9.7367 128.6554 54.1612 42.2341 178.3038 173 K 3.5664 8.5052 120.7623 59.0073 32.2171 177.3535 174 E 4.3314 8.0315 115.7289 57.0077 30.0839 176.8057 175 E 4.4842 7.7514 118.3485 55.9283 30.0850 177.5338 176 W 4.6143 7.7139 129.3257 60.3166 30.6221 175.4798 177 P 3.8862 0.0000 0.0000 65.6411 30.7476 178.5131 178 G 3.6477 7.8730 103.6739 47.7341 0.0000 175.9000 179 V 3.6619 7.9066 121.2083 65.5553 31.6043 177.9198 180 K 3.5481 8.3941 119.7580 59.2542 30.9083 178.3789 181 A 4.0363 7.5609 120.3961 54.3744 16.8115 179.5754 182 R 4.1579 7.9313 116.8965 58.5067 30.1366 178.9568 183 L 3.9069 7.5882 118.3781 57.5121 42.2558 178.7756 184 E 3.8289 7.7865 117.5029 58.4534 29.0403 179.1768 185 A 3.9655 7.0296 121.4013 55.2296 18.7468 179.0382 186 R 3.9858 7.1708 114.8503 59.0252 30.5645 178.7263 187 L 3.7726 7.9695 117.7813 56.7713 41.7318 176.6637 188 Y 4.5342 7.1594 119.3662 58.1139 38.3702 175.2415 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 8.30 4.56 0.00 2.19 2.26 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 2.50 2.60 0.00 2 W 8.85 3.76 0.00 3.19 3.01 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 3 A 8.60 4.47 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 4 F 8.49 5.22 0.00 3.38 3.72 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 5 P 0.00 4.40 0.00 1.17 1.71 0.00 3.84 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.08 0.00 6 E 8.52 4.64 0.00 1.93 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 2.45 2.39 0.00 7 R 7.54 4.91 0.00 1.50 1.68 0.00 3.20 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 8 F 8.64 4.77 0.00 2.80 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 9 E 8.85 4.61 0.00 1.90 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 0.00 2.33 2.28 0.00 10 G 8.48 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 11 R 8.95 4.36 0.00 2.27 2.14 0.00 3.02 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 12 H 8.46 4.90 0.00 3.55 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.86 5.10 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 1.14 0.00 0.00 1.02 0.00 0.00 14 R 8.59 5.16 0.00 1.87 2.05 0.00 2.79 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 15 L 9.01 5.19 0.00 1.87 1.69 0.92 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 5.97 0.00 2.11 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 2.40 2.38 0.00 17 P 0.00 4.50 0.00 2.00 2.11 0.00 3.80 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 18 L 8.41 4.14 0.00 1.71 1.61 1.25 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.94 4.49 1.17 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 0.00 0.00 0.00 0.00 0.00 20 L 8.22 4.14 0.00 1.74 1.68 0.95 1.02 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 21 A 7.87 4.18 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 22 H 8.15 4.85 0.00 3.50 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.00 4.41 0.00 2.01 1.75 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.32 0.00 2.06 2.12 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 25 A 7.53 4.05 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 26 F 7.88 4.63 0.00 3.37 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 27 L 7.92 4.26 0.00 1.70 1.71 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.49 4.12 0.00 1.93 1.77 0.00 3.05 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.46 0.00 29 H 7.15 4.73 0.00 1.69 2.79 0.00 5.71 0.00 0.00 0.00 0.00 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.24 4.34 0.00 3.07 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 31 D 8.17 4.56 0.00 2.53 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 0.00 0.00 0.00 32 P 0.00 4.13 0.00 1.96 2.01 0.00 3.56 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 33 E 8.83 4.01 0.00 1.90 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 0.00 2.68 2.38 0.00 34 V 7.99 4.20 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 0.96 0.00 0.00 0.96 0.00 0.00 *36 R 7.94 4.12 0.00 1.91 1.47 0.00 2.98 0.00 0.00 2.57 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 37 F 7.62 5.13 0.00 3.14 2.94 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 38 L 7.38 4.93 0.00 1.72 1.57 1.06 1.04 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 39 S 8.98 4.14 0.00 3.85 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 40 R 7.86 4.51 0.00 1.88 2.00 0.00 3.41 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 41 A 8.27 4.50 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 42 P 0.00 4.37 0.00 2.01 1.90 0.00 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0.00 0.00 0.00 0.00 0.00 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 I 8.42 3.91 1.83 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 1.27 0.62 0.88 0.00 0.00 69 L 8.56 4.76 0.00 1.73 1.63 1.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.13 4.72 0.00 2.74 2.74 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 71 G 8.14 3.25 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 0.00 0.00 0.00 0.00 72 K 7.91 3.86 0.00 1.86 1.86 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 73 E 7.50 4.66 0.00 2.04 1.78 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 2.35 2.32 0.00 74 V 8.37 4.07 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 0.77 0.00 0.00 0.82 0.00 0.00 75 A 9.10 3.40 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 84 E 8.05 4.39 0.00 1.81 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 2.12 2.40 0.00 85 P 0.00 2.97 0.00 1.62 0.55 0.00 3.22 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 0.00 86 E 7.70 3.87 0.00 1.92 1.86 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 2.26 2.30 0.00 87 H 8.19 4.39 0.00 3.07 3.36 0.00 6.05 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.54 4.11 1.57 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 89 K 7.90 5.87 0.00 1.88 1.96 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.20 7.81 90 L 8.07 4.61 0.00 1.82 1.97 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.79 5.42 0.00 1.92 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 2.05 2.17 0.00 92 L 7.59 4.92 0.00 0.70 1.43 0.87 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 W 8.02 4.53 0.00 3.46 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 0.00 102 G 8.96 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 0.00 0.00 0.00 103 S 7.86 4.73 0.00 3.44 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 0.00 104 P 0.00 4.25 0.00 2.00 1.89 0.00 3.55 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 2.12 2.08 0.00 105 A 7.24 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 7.94 4.20 0.00 2.86 2.79 0.00 0.00 7.10 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 0.00 107 K 7.82 3.93 0.00 1.84 1.72 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.41 7.81 108 E 8.69 4.01 0.00 1.88 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 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0.77 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 0.00 118 F 7.18 4.42 0.00 2.82 3.01 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 0.00 119 E 8.26 4.06 0.00 2.21 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 0.00 2.61 2.83 0.00 120 V 7.66 3.76 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 0.98 0.00 0.00 0.98 0.00 0.00 121 L 8.03 3.52 0.00 1.03 0.17 0.46 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.59 4.50 0.00 1.90 1.99 0.00 3.32 0.00 0.00 3.34 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 123 A 8.17 4.25 0.99 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 0.00 124 E 9.11 4.90 0.00 2.04 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 0.00 2.29 2.36 0.00 125 R 7.96 4.86 0.00 1.99 1.79 0.00 3.26 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 126 V 8.72 5.39 2.26 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 0.78 0.00 0.00 0.49 0.00 0.00 127 Q 8.50 5.36 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 128 F 9.67 4.98 0.00 3.05 3.08 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 0.00 129 K 8.61 4.89 0.00 1.89 1.80 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.49 7.81 130 V 8.37 4.64 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 0.95 0.00 0.00 1.16 0.00 0.00 131 D 8.54 4.71 0.00 2.92 2.55 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 0.00 132 L 8.47 3.93 0.00 1.89 1.65 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 133 R 9.11 3.77 0.00 1.05 1.19 0.00 3.34 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 134 N 7.38 4.27 0.00 2.74 2.81 0.00 0.00 7.14 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 0.00 135 E 8.02 3.86 0.00 1.97 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 2.32 2.44 0.00 136 R 7.80 3.69 0.00 1.69 1.70 0.00 2.23 0.00 0.00 2.72 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.44 0.00 137 S 8.85 4.01 0.00 3.88 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 Q 7.48 3.94 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 139 R 7.92 3.99 0.00 1.78 1.90 0.00 3.07 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 140 A 7.45 3.82 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 0.00 141 L 7.52 3.86 0.00 0.95 1.05 0.60 0.22 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 0.00 142 E 7.21 3.80 0.00 2.05 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 0.00 2.50 2.41 0.00 143 A 7.24 4.12 1.25 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 0.00 0.00 0.00 144 L 6.89 4.03 0.00 1.78 1.63 0.67 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.20 3.36 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 0.00 146 A 7.37 4.24 0.99 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 0.00 147 V 8.38 4.39 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 0.97 0.00 0.00 1.03 0.00 0.00 148 R 8.76 4.04 0.00 2.14 1.93 0.00 3.36 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 149 E 8.81 4.13 0.00 1.90 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 2.37 2.47 0.00 150 G 6.72 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 0.00 151 V 8.03 4.75 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 0.81 0.00 0.00 0.84 0.00 0.00 152 L 9.12 4.29 0.00 1.69 1.63 0.97 0.78 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 0.00 153 R 8.57 4.18 0.00 1.68 1.89 0.00 3.33 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 154 K 8.82 4.05 0.00 1.87 2.02 0.00 1.49 0.00 0.00 1.04 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.33 7.81 155 N 8.28 4.50 0.00 2.76 3.09 0.00 0.00 6.80 8.99 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 0.00 156 R 7.49 4.70 0.00 1.93 1.72 0.00 3.13 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 157 R 8.07 4.25 0.00 1.08 1.53 0.00 3.02 0.00 0.00 2.98 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.87 0.00 158 L 8.73 4.19 0.00 1.73 1.55 0.97 0.87 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 0.00 159 P 0.00 4.39 0.00 2.02 2.10 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 2.02 2.10 0.00 160 D 8.14 4.71 0.00 2.64 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 0.00 161 G 8.55 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 0.00 162 A 7.62 4.33 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 0.00 163 F 9.25 4.70 0.00 2.89 3.05 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 0.00 164 R 9.01 4.56 0.00 1.92 1.79 0.00 3.14 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 165 D 8.40 5.42 0.00 2.63 2.59 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 0.00 166 D 8.22 4.82 0.00 2.61 2.62 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 0.00 167 V 9.41 4.21 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 0.41 0.00 0.00 0.87 0.00 0.00 168 V 8.60 4.49 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 1.01 0.00 0.00 0.90 0.00 0.00 169 Y 8.70 5.85 0.00 3.21 2.74 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 0.00 170 S 8.28 5.87 0.00 3.99 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 0.00 171 V 8.16 4.87 2.41 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 1.09 0.00 0.00 1.05 0.00 0.00 172 L 9.74 4.52 0.00 1.76 1.75 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.51 3.57 0.00 1.85 2.01 0.00 2.04 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.58 7.81 174 E 8.03 4.33 0.00 1.97 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 2.28 2.39 0.00 175 E 7.75 4.48 0.00 2.14 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 2.26 2.29 0.00 176 W 7.71 4.61 0.00 2.43 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 0.00 177 P 0.00 3.89 0.00 1.99 2.02 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 178 G 7.87 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 0.00 0.00 0.00 179 V 7.91 3.66 2.60 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 1.38 0.00 0.00 1.11 0.00 0.00 180 K 8.39 3.55 0.00 0.79 1.02 0.00 0.90 0.00 0.00 1.20 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.41 7.81 181 A 7.56 4.04 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 0.00 182 R 7.93 4.16 0.00 2.02 1.94 0.00 3.10 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.94 0.00 183 L 7.59 3.91 0.00 1.40 1.39 1.32 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 184 E 7.79 3.83 0.00 1.97 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 2.27 2.25 0.00 185 A 7.03 3.97 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 0.00 186 R 7.17 3.99 0.00 1.75 1.90 0.00 3.28 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 187 L 7.97 3.77 0.00 0.59 0.62 0.46 0.43 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 0.00 188 Y 7.16 4.53 0.00 3.13 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 * Residues marked with a * may have inaccurate shift predictions.