NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2972 8.2914 120.1666 56.2992 31.4050 174.2372 5 G 4.0406 8.3473 111.0222 44.0563 0.0000 169.2885 6 Y 5.2436 9.6993 120.9358 56.6549 40.7421 173.1434 7 Q 5.2444 8.7157 121.5585 54.4879 32.0018 174.3323 8 Y 5.3652 9.1465 119.6699 56.2799 42.9134 174.2278 9 R 5.1406 9.0023 120.1806 54.2624 33.8787 174.2966 10 A 4.3737 8.7489 128.1437 52.5149 18.8899 178.0349 11 L 4.0038 8.7008 122.2358 55.9322 42.8639 176.4218 12 Y 5.0517 7.4977 113.3445 55.8241 42.2519 175.0638 13 D 4.8924 8.9693 120.9209 54.5596 41.9870 175.3270 14 Y 4.7610 9.0795 126.9452 56.2801 41.6269 174.7729 15 K 4.5752 7.9910 130.1880 52.9758 33.0056 173.6874 16 K 3.8253 8.4520 124.7908 56.3008 32.3523 174.6529 17 E 4.4306 8.1636 117.0912 57.9109 32.7697 177.2055 18 R 4.1262 7.6320 116.5296 55.9271 31.2163 177.7053 19 E 3.9831 8.6227 120.2303 59.0200 29.8486 177.5242 20 E 4.3079 7.9861 116.3605 56.9522 30.1301 175.5856 21 D 5.5688 7.6952 119.1516 54.0279 42.0504 175.0925 22 I 4.8595 8.4047 111.9807 59.4413 41.0419 174.5909 23 D 4.8766 8.6961 122.8011 53.8505 41.7677 175.8655 24 L 4.7261 8.6288 123.1294 53.4021 44.3630 175.2112 25 H 5.3153 8.6543 119.1796 53.3031 32.3440 173.3767 26 L 3.9156 8.8770 123.5494 57.2857 42.1835 176.9188 27 G 4.0444 8.8204 114.2747 45.2652 0.0000 173.5886 28 D 4.4374 7.9875 119.4003 55.2261 42.2232 175.8623 29 I 4.9432 8.5142 123.0316 59.7397 39.4916 174.7794 30 L 5.3196 8.8728 125.7486 53.2312 45.9104 175.4614 31 T 5.2802 8.9416 118.5629 61.8639 71.7173 173.3124 32 V 4.8733 9.3915 125.8147 60.9073 34.6958 174.4046 33 N 4.7586 8.9187 126.4293 53.0048 39.9181 175.2754 34 K 4.1808 8.5612 126.5217 59.9510 32.0847 179.2687 35 G 3.7242 8.0041 104.3985 47.7277 0.0000 175.7734 36 S 4.2060 7.9735 116.6959 61.6820 63.2014 176.5468 37 L 4.4045 8.0308 121.0801 57.6247 41.5261 179.2957 38 V 3.6667 8.0114 118.0452 66.0999 31.2870 177.6233 39 A 4.2551 8.0046 115.5029 52.8882 18.0197 177.5112 40 L 4.3726 7.7141 117.0827 54.2850 42.9849 176.5387 41 G 3.5757 8.3236 106.8727 47.0478 0.0000 174.7721 42 F 5.0358 7.8893 115.1173 55.7632 38.4298 174.9118 43 S 4.5093 7.6378 117.0569 58.1130 65.0313 174.8664 44 D 4.6923 8.6927 117.9519 53.7696 37.6989 174.9309 45 G 4.1140 7.9683 106.5318 46.9277 0.0000 176.3296 46 Q 3.8911 8.0282 121.0004 58.0192 28.7676 177.5164 47 E 3.8216 7.9686 118.2937 59.1230 28.8154 178.3897 48 A 3.6489 7.1126 119.1028 51.8865 20.4949 177.6006 49 R 4.5410 7.7838 117.2521 53.0026 30.5401 174.2166 50 P 4.0562 0.0000 0.0000 65.2311 31.8299 179.4798 51 E 4.1638 8.0464 115.7979 58.7703 29.4058 177.5010 52 E 4.1599 7.9718 117.6104 57.5129 29.7738 177.2187 53 I 3.8770 7.9787 119.4963 60.6157 37.8501 175.5339 54 G 3.9357 7.7115 114.5769 43.4705 0.0000 171.9760 55 W 5.0894 7.7333 119.2660 53.8767 33.0782 174.6874 56 L 4.7248 8.5390 122.8110 52.7160 45.4371 174.9411 57 N 5.3606 8.3480 118.6457 52.4121 41.7334 173.5115 58 G 4.4030 8.8899 112.3021 46.2699 0.0000 169.9088 59 Y 5.3099 8.8741 121.6641 55.8570 41.1587 175.4740 60 N 4.4840 8.8518 126.5984 52.6719 38.3909 174.7440 61 E 3.6797 8.4754 126.8522 59.4426 29.6879 179.0582 62 T 4.1122 7.9720 115.5432 65.6374 68.9654 175.9330 63 T 4.1226 7.9358 109.1878 61.5309 69.7604 175.7472 64 G 3.9714 8.4346 110.0279 44.8357 0.0000 172.6362 65 E 4.8135 7.6980 118.4257 54.2739 32.2139 174.6731 66 R 5.1952 9.0589 119.2890 53.9214 33.5043 175.5985 67 G 4.0259 7.7021 108.7927 46.3508 0.0000 171.1383 68 D 5.8500 8.2314 119.0881 53.3993 42.8253 175.8922 69 F 5.1086 7.9422 113.4991 55.3024 41.3760 171.3750 70 P 3.7425 0.0000 0.0000 61.9310 31.5981 178.0670 71 G 3.4449 8.5926 113.8845 48.2951 0.0000 175.0683 72 T 4.2439 7.6554 107.7800 62.8799 69.2889 174.3445 73 Y 4.6598 8.0240 119.3044 58.2704 39.5205 175.1247 74 V 5.0774 7.4648 110.5722 59.4124 35.8981 174.6110 75 E 4.6793 8.7684 121.3869 54.8404 32.7671 173.6902 76 Y 4.6744 9.0931 129.3576 57.8379 39.2093 175.1444 77 I 4.0599 8.2409 118.6736 59.9800 38.8529 175.2361 78 G 3.4327 5.3800 109.5267 44.3854 0.0000 172.4266 79 R 4.9909 7.6724 118.7951 54.8980 32.7637 175.2191 80 K 3.9828 8.4086 116.6599 57.7768 32.8932 174.6917 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 4 E 8.29 4.30 0.00 1.85 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 2.24 2.29 0.00 5 G 8.35 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 0.00 0.00 0.00 6 Y 9.70 5.24 0.00 3.07 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 7 Q 8.72 5.24 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 8 Y 9.15 5.37 0.00 2.91 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 9 R 9.00 5.14 0.00 1.80 1.69 0.00 3.12 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.76 0.00 10 A 8.75 4.37 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 11 L 8.70 4.00 0.00 0.28 0.69 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.50 5.05 0.00 2.96 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 13 D 8.97 4.89 0.00 2.66 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 14 Y 9.08 4.76 0.00 2.55 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 15 K 7.99 4.58 0.00 1.57 1.58 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.29 0.99 7.81 16 K 8.45 3.83 0.00 1.89 1.94 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.44 7.81 17 E 8.16 4.43 0.00 2.21 1.90 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 2.27 2.23 0.00 18 R 7.63 4.13 0.00 1.97 1.78 0.00 2.85 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 19 E 8.62 3.98 0.00 1.91 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 2.34 0.00 20 E 7.99 4.31 0.00 2.07 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 0.00 2.34 2.39 0.00 21 D 7.70 5.57 0.00 2.81 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 22 I 8.40 4.86 1.94 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 1.61 0.82 1.04 0.00 0.00 23 D 8.70 4.88 0.00 2.55 2.49 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 24 L 8.63 4.73 0.00 1.69 1.54 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.65 5.32 0.00 3.21 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.88 3.92 0.00 1.58 1.65 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.82 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 0.00 0.00 0.00 28 D 7.99 4.44 0.00 2.76 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 29 I 8.51 4.94 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.18 0.89 0.00 0.00 30 L 8.87 5.32 0.00 1.61 1.53 0.61 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.94 5.28 4.43 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 1.33 0.00 0.00 32 V 9.39 4.87 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 1.25 0.00 0.00 1.29 0.00 0.00 33 N 8.92 4.76 0.00 2.85 2.74 0.00 0.00 6.83 6.23 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 34 K 8.56 4.18 0.00 1.72 1.78 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.69 7.81 35 G 8.00 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 0.00 0.00 0.00 36 S 7.97 4.21 0.00 4.10 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 37 L 8.03 4.40 0.00 2.05 1.90 1.13 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.01 3.67 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 1.04 0.00 0.00 1.07 0.00 0.00 39 A 8.00 4.26 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 40 L 7.71 4.37 0.00 1.86 1.39 1.12 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.32 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.89 5.04 0.00 3.28 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 43 S 7.64 4.51 0.00 4.00 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 44 D 8.69 4.69 0.00 3.05 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 45 G 7.97 4.11 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 0.00 0.00 0.00 46 Q 8.03 3.89 0.00 1.77 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 47 E 7.97 3.82 0.00 1.28 1.66 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 1.58 1.47 0.00 48 A 7.11 3.65 1.05 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 49 R 7.78 4.54 0.00 1.69 1.75 0.00 3.10 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 50 P 0.00 4.06 0.00 2.27 2.10 0.00 3.81 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 51 E 8.05 4.16 0.00 2.03 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 2.22 2.25 0.00 52 E 7.97 4.16 0.00 1.94 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 2.34 2.35 0.00 53 I 7.98 3.88 1.72 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.09 0.80 0.00 0.00 54 G 7.71 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 55 W 7.73 5.09 0.00 3.06 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 56 L 8.54 4.72 0.00 0.27 0.85 0.38 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.35 5.36 0.00 2.85 2.70 0.00 0.00 6.78 7.98 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 58 G 8.89 4.40 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 0.00 59 Y 8.87 5.31 0.00 3.07 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 60 N 8.85 4.48 0.00 2.64 2.50 0.00 0.00 6.77 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 61 E 8.48 3.68 0.00 1.94 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 0.00 2.33 2.48 0.00 62 T 7.97 4.11 4.35 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 1.19 0.00 0.00 63 T 7.94 4.12 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 1.25 0.00 0.00 64 G 8.43 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 65 E 7.70 4.81 0.00 2.05 1.91 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 2.35 2.29 0.00 66 R 9.06 5.20 0.00 1.96 1.88 0.00 3.45 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.94 0.00 67 G 7.70 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 0.00 0.00 0.00 68 D 8.23 5.85 0.00 2.83 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 69 F 7.94 5.11 0.00 2.94 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 70 P 0.00 3.74 0.00 1.79 1.07 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 71 G 8.59 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.66 4.24 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 1.11 0.00 0.00 73 Y 8.02 4.66 0.00 3.10 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 74 V 7.46 5.08 2.24 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 0.70 0.00 0.00 0.95 0.00 0.00 75 E 8.77 4.68 0.00 1.95 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 2.22 2.27 0.00 76 Y 9.09 4.67 0.00 3.03 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 77 I 8.24 4.06 1.71 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 1.05 0.62 0.91 0.00 0.00 78 G 5.38 3.43 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 0.00 0.00 0.00 79 R 7.67 4.99 0.00 2.01 2.08 0.00 3.24 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 80 K 8.41 3.98 0.00 1.82 1.72 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.23 7.81