NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 3.9962 8.3393 109.7419 45.9998 0.0000 173.6246 -2 S 4.3165 8.1611 112.4078 57.0392 65.3524 174.2533 -1 G 3.9293 9.3421 108.8604 45.1267 0.0000 173.7325 0 M 4.1385 7.4280 119.1357 53.1785 34.0152 174.9501 *33 R 4.4424 8.1756 120.7234 56.2262 31.0199 174.4472 34 F 4.5829 8.2326 123.5307 55.8065 40.8000 174.6960 35 Y 4.7151 8.4456 121.8267 56.1455 40.2944 175.0804 36 V 4.2791 8.8047 127.1437 61.6946 32.9648 175.2141 37 K 4.6729 8.3886 127.7981 53.0208 34.8598 172.0502 38 D 4.4579 8.2691 117.1737 55.3297 42.4327 173.9148 39 H 4.7046 8.1198 122.7494 55.0717 30.8525 174.5045 40 R 4.0667 8.3348 119.0797 55.8496 29.9115 177.1452 41 N 4.5938 8.6939 119.7668 54.5696 38.5216 175.5273 42 K 4.3539 8.4785 125.8562 53.9744 33.7714 172.6216 43 A 4.2022 7.9811 120.6947 52.7645 17.8391 177.3170 44 M 4.2424 8.2424 121.9135 56.0488 32.9907 177.3819 45 I 3.7493 8.0954 122.9453 63.9995 37.6776 176.1092 46 N 4.5096 7.3511 118.9324 52.4872 38.8847 174.3909 47 L 4.3570 8.4800 126.2131 56.7061 42.4023 177.3169 48 H 4.8870 7.9491 108.6228 55.1484 31.6287 173.2421 49 I 3.8762 8.1994 122.8018 62.0447 38.1553 176.1074 50 Q 3.3142 8.7499 125.0534 57.1083 26.0710 175.3917 51 K 4.1463 7.7573 114.7538 58.4106 32.7943 178.3053 52 D 4.5183 7.9849 117.3469 54.6133 41.2307 175.3112 53 N 4.7898 7.8858 119.5457 51.1201 39.5124 173.0993 54 P 4.3076 0.0000 0.0000 64.6887 31.8752 176.4705 55 K 4.1118 8.0475 120.0038 55.6314 34.0743 174.9917 56 I 4.1715 8.3742 128.8835 60.5221 37.1138 175.6377 57 V 4.5140 8.2138 124.8625 61.0887 34.1184 174.2268 58 H 4.6474 8.6685 122.6405 53.7501 31.4038 173.3277 59 A 4.4108 7.5917 124.5887 50.3584 21.6673 175.4956 60 F 4.9828 8.3773 120.8519 55.4554 42.7983 174.5347 61 D 4.6748 8.7010 124.2292 53.8474 41.7327 177.5880 62 M 4.1923 8.7977 121.8573 58.2915 31.5730 178.4315 63 E 3.9882 8.2781 117.9402 58.8473 29.7226 177.1972 64 D 4.7924 7.7970 115.7100 53.9269 41.0480 176.5263 65 L 4.3994 7.6165 119.9130 54.0231 43.1289 178.0503 66 G 3.9836 8.1934 116.6941 46.5716 0.0000 175.4351 67 D 4.5043 8.6619 117.8896 55.6311 40.3861 172.9498 68 K 4.9462 7.4533 116.4806 55.5456 35.2184 175.0050 69 A 4.5318 9.0586 127.3663 50.0842 23.2681 175.0376 70 V 4.5402 7.8589 119.6012 61.3294 34.6510 173.6349 71 Y 4.9633 9.1278 126.3856 56.1038 40.3621 174.8175 72 C 4.4760 8.6198 125.4994 59.2262 32.1233 173.4282 73 R 4.6148 8.7096 123.7621 56.0382 29.0384 175.9678 74 C 4.7317 7.9728 112.7146 56.9248 31.0686 174.6084 75 W 3.2386 8.0882 118.4025 57.7399 25.9795 174.7581 76 R 4.5980 7.3826 116.5932 56.1774 31.3350 176.8782 77 S 4.4740 8.1162 112.7141 58.3034 62.7596 174.1797 78 K 4.3228 9.3395 126.5920 58.1041 32.1486 177.8387 79 K 4.6887 8.2880 118.9203 55.6133 32.8095 175.4734 80 F 4.0637 8.5591 120.7964 58.4825 39.5806 172.9798 81 P 2.9700 0.0000 0.0000 62.0839 31.2722 175.2135 82 F 4.8659 7.3471 118.1444 56.1671 40.2353 175.1869 83 C 4.3227 8.5580 125.6264 59.4292 31.6891 172.9786 84 D 4.7852 9.0516 124.7757 52.9904 39.7374 176.7099 85 G 3.7815 8.3147 107.9779 45.6664 0.0000 175.3655 86 A 4.0798 8.3707 122.6837 54.8664 18.1677 179.5372 87 H 4.2355 8.2046 113.6881 59.1315 28.3390 177.7132 88 T 3.8636 7.5139 118.0386 66.4385 68.2517 176.2190 89 K 3.8993 8.0302 120.8605 59.7795 32.2461 177.9471 90 H 4.1258 8.0611 118.1223 59.5432 29.8361 176.9844 91 N 4.3090 8.6147 118.6357 56.1854 38.0954 177.1250 92 E 3.9343 8.1079 119.9554 59.3975 29.8677 178.4795 93 E 4.1332 8.3786 118.0071 58.5454 29.6331 178.3024 94 T 4.4716 7.9265 107.2345 60.6481 69.9841 175.4671 95 G 3.7852 7.9258 109.5830 45.8910 0.0000 173.0715 96 D 4.7849 7.3584 118.7277 53.2756 42.3074 175.2803 97 N 5.1318 8.1838 116.1369 52.3527 37.5486 174.9183 98 V 4.0750 8.2421 111.1966 62.2893 32.8297 175.4604 99 G 4.1545 7.9915 108.4418 44.7317 0.0000 169.9764 100 P 4.9001 0.0000 0.0000 61.9769 33.4070 174.8614 101 L 4.7543 8.6816 121.4969 53.3745 44.2257 174.7952 102 I 4.8735 8.4617 126.7382 59.6965 39.3006 174.8265 103 I 4.6674 8.8513 128.3653 59.2249 39.7571 176.2007 104 K 4.6652 8.3748 124.6344 56.1893 32.6004 175.9579 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 -3 G 8.34 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 0.00 0.00 0.00 -2 S 8.16 4.32 0.00 4.12 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 -1 G 9.34 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 0 M 7.43 4.14 0.00 1.24 1.55 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 2.57 2.37 0.00 *33 R 8.18 4.44 0.00 1.90 1.65 0.00 3.15 0.00 0.00 3.88 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.19 0.00 34 F 8.23 4.58 0.00 2.92 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 35 Y 8.45 4.72 0.00 3.00 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 36 V 8.80 4.28 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 0.82 0.00 0.00 0.97 0.00 0.00 37 K 8.39 4.67 0.00 1.78 1.54 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 0.95 7.81 38 D 8.27 4.46 0.00 2.57 2.57 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 39 H 8.12 4.70 0.00 3.22 3.22 0.00 5.78 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.33 4.07 0.00 1.85 1.76 0.00 3.26 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 41 N 8.69 4.59 0.00 2.65 2.77 0.00 0.00 6.70 6.68 0.00 0.00 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 K 8.48 4.35 0.00 1.78 1.65 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 0.96 7.81 43 A 7.98 4.20 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 8.24 4.24 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 45 I 8.10 3.75 1.53 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.38 0.69 0.00 0.00 46 N 7.35 4.51 0.00 1.63 2.16 0.00 0.00 6.95 7.78 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 47 L 8.48 4.36 0.00 1.74 1.72 0.95 1.06 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 48 H 7.95 4.89 0.00 3.22 3.34 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.20 3.88 1.94 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 -0.03 0.94 0.00 0.00 50 Q 8.75 3.31 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 51 K 7.76 4.15 0.00 1.74 1.84 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.38 7.81 52 D 7.98 4.52 0.00 2.67 2.71 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 0.00 0.00 0.00 53 N 7.89 4.79 0.00 2.69 2.93 0.00 0.00 7.15 7.30 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 54 P 0.00 4.31 0.00 2.20 2.15 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 55 K 8.05 4.11 0.00 1.70 1.70 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.38 7.81 56 I 8.37 4.17 2.24 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 1.27 0.00 0.00 57 V 8.21 4.51 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 0.80 0.00 0.00 0.95 0.00 0.00 58 H 8.67 4.65 0.00 2.93 2.69 0.00 5.89 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 59 A 7.59 4.41 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.38 4.98 0.00 3.02 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 61 D 8.70 4.67 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 M 8.80 4.19 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 63 E 8.28 3.99 0.00 1.98 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 0.00 2.33 2.41 0.00 64 D 7.80 4.79 0.00 2.75 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 65 L 7.62 4.40 0.00 1.69 1.60 1.02 0.87 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 66 G 8.19 3.98 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 0.00 0.00 0.00 67 D 8.66 4.50 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.45 4.95 0.00 1.66 1.57 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.40 7.81 69 A 9.06 4.53 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 70 V 7.86 4.54 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 0.97 0.00 0.00 0.84 0.00 0.00 71 Y 9.13 4.96 0.00 2.82 2.61 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 0.00 0.00 0.00 0.00 72 C 8.62 4.48 0.00 2.94 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.71 4.61 0.00 2.01 1.97 0.00 3.26 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 74 C 7.97 4.73 0.00 3.09 3.21 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 75 W 8.09 3.24 0.00 3.37 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.38 4.60 0.00 1.91 2.01 0.00 3.40 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 77 S 8.12 4.47 0.00 3.93 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 78 K 9.34 4.32 0.00 1.88 1.90 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.58 7.81 79 K 8.29 4.69 0.00 1.84 1.89 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.50 7.81 80 F 8.56 4.06 0.00 3.10 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 81 P 0.00 2.97 0.00 1.45 0.99 0.00 3.21 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.43 0.00 82 F 7.35 4.87 0.00 3.06 2.78 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 83 C 8.56 4.32 0.00 2.94 2.82 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 84 D 9.05 4.79 0.00 2.79 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 85 G 8.31 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 86 A 8.37 4.08 1.42 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 0.00 0.00 87 H 8.20 4.24 0.00 3.41 3.65 0.00 5.47 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.51 3.86 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 1.22 0.00 0.00 89 K 8.03 3.90 0.00 1.83 1.98 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.51 7.81 90 H 8.06 4.13 0.00 3.32 3.51 0.00 5.84 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 91 N 8.61 4.31 0.00 2.91 2.98 0.00 0.00 6.73 7.20 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 92 E 8.11 3.93 0.00 2.04 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 2.32 2.39 0.00 93 E 8.38 4.13 0.00 2.01 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 2.34 2.44 0.00 94 T 7.93 4.47 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 1.15 0.00 0.00 95 G 7.93 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 96 D 7.36 4.78 0.00 2.67 2.86 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 0.00 0.00 0.00 97 N 8.18 5.13 0.00 2.82 2.82 0.00 0.00 5.98 7.68 0.00 0.00 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 V 8.24 4.07 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 0.84 0.00 0.00 1.11 0.00 0.00 99 G 7.99 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 0.00 100 P 0.00 4.90 0.00 2.08 2.07 0.00 3.60 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 101 L 8.68 4.75 0.00 1.82 1.64 0.95 1.00 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 0.00 102 I 8.46 4.87 1.88 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 1.33 0.75 0.90 0.00 0.00 103 I 8.85 4.67 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.98 0.00 0.00 104 K 8.37 4.67 0.00 1.78 1.69 0.00 1.21 0.00 0.00 0.61 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.