NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3220 0.0000 0.0000 62.3375 32.9689 174.3158 2 G 3.7674 7.5009 106.7435 43.4395 0.0000 171.3334 3 P 4.3253 0.0000 0.0000 62.9453 32.4096 175.2888 4 V 3.2895 7.3481 109.6426 62.1931 30.7047 174.1761 5 L 4.6166 7.6811 119.4201 52.1547 43.4216 173.7504 6 P 4.2725 0.0000 0.0000 65.8070 31.7142 178.0777 7 K 3.8702 8.2199 116.6167 59.9292 31.7666 178.1470 8 N 4.2600 8.2544 116.2647 56.4154 38.4870 176.9185 9 A 4.0007 7.9265 120.9817 55.5081 18.5771 179.1114 10 L 3.9255 7.9453 117.1820 58.4925 41.7582 179.5931 11 M 4.0333 8.2735 118.1212 58.4774 31.9969 178.5547 12 Q 3.9048 8.4381 119.9463 59.2348 29.1787 178.1592 13 L 4.0230 8.0088 121.0933 58.3528 41.8956 178.3055 14 N 4.2980 8.0398 115.5348 56.9716 38.8918 175.7764 15 E 4.0375 8.5601 119.9390 59.6151 29.8090 178.7341 16 I 3.9790 7.9546 112.9690 62.6168 39.1792 175.9949 17 K 4.6681 8.1633 121.1938 53.5402 31.7288 174.7867 18 P 4.3210 0.0000 0.0000 64.6472 32.1625 177.2691 19 G 3.9636 7.7829 103.4140 44.5978 0.0000 172.6637 20 L 4.4778 8.1353 124.3186 55.3502 43.3288 173.7436 21 Q 4.7463 8.6202 116.5777 54.6926 32.4174 174.2812 22 Y 5.0491 8.8804 120.9184 56.4234 40.2949 175.0110 23 M 4.9285 9.0681 120.5283 53.4472 35.0684 173.6310 24 L 5.0215 8.6452 123.0760 53.6817 44.2319 175.0291 25 L 4.6971 8.9059 125.2531 53.5743 46.2735 176.1125 26 S 3.3721 7.7743 111.0082 56.8539 63.9574 170.2346 27 Q 5.0958 7.4155 129.9329 55.1922 29.2795 171.8811 28 T 4.4185 6.1822 115.8203 59.8487 71.6770 173.0425 29 G 3.8484 8.1818 111.4683 45.7556 0.0000 171.2613 30 P 4.2894 0.0000 0.0000 63.2202 30.9463 178.1664 31 V 3.6138 7.8577 117.7762 62.0015 31.2625 171.8667 32 H 4.8953 7.8085 112.4115 55.0776 30.0521 173.3210 33 A 4.8908 7.4602 120.7638 49.8348 18.0229 173.5961 34 P 4.3773 0.0000 0.0000 61.8283 33.9264 176.5270 35 L 4.9124 8.7766 126.1222 53.6501 43.7865 174.8097 36 F 5.6980 9.0233 125.0095 54.9489 42.4255 174.9722 37 V 4.9171 8.7016 115.7868 60.0776 34.8827 174.3277 38 M 5.2160 8.9754 126.1080 53.5617 34.4917 175.3703 39 S 5.2720 9.3114 118.1900 56.4018 66.4518 173.0753 40 V 4.2721 8.6473 123.1933 59.6681 34.0179 173.9810 41 E 5.1125 9.1216 125.5443 54.4635 31.8750 174.6568 42 V 4.2834 8.4738 126.6671 61.7801 35.0310 174.5895 43 N 4.1400 9.9728 124.0623 54.3896 37.3881 174.5979 44 G 3.9010 8.4019 101.4874 44.7898 0.0000 173.3903 45 Q 4.6517 8.4095 119.5412 53.9786 31.0959 174.8154 46 V 4.9598 8.1575 122.6705 61.1215 34.4755 174.4698 47 F 4.7243 9.1855 125.5280 55.5464 42.6517 173.3719 48 E 5.1254 9.0527 123.6992 54.3466 32.0381 175.1008 49 G 4.4615 9.2413 113.4692 44.4221 0.0000 171.2468 50 S 5.4372 8.9491 119.1414 56.6154 64.8078 173.6629 51 G 4.4375 9.2396 111.4444 43.3383 0.0000 169.6177 52 P 5.3453 0.0000 0.0000 62.9782 31.7983 175.5333 53 T 3.0437 9.1415 124.9293 62.2275 68.0866 173.1763 54 K 3.8226 7.5042 121.1858 59.6133 31.7456 178.8411 55 K 3.8703 7.4633 119.2727 59.5104 31.7615 178.6611 56 K 3.8665 7.9803 118.7091 60.0654 32.3232 178.3337 57 A 4.1623 8.1577 120.5421 55.3070 18.2066 179.2673 58 K 4.1768 8.2047 115.9369 60.0738 32.6371 178.7409 59 L 3.9497 7.7709 121.4332 58.3893 42.0069 178.3114 60 H 4.1454 8.7143 117.8769 59.3505 29.7281 176.8821 61 A 4.0497 8.3148 122.1666 55.1708 18.1238 179.2517 62 A 4.0849 8.5111 119.5086 55.5386 18.4937 179.4930 63 E 3.8781 8.2155 116.7498 59.9545 29.5350 179.4018 64 K 3.6909 8.1200 117.8850 59.6629 32.0512 178.9742 65 A 3.4077 8.3281 120.7191 55.5453 18.3583 178.5879 66 L 3.5444 8.3014 118.5918 58.8209 41.7284 179.2690 67 R 3.7756 7.9032 118.9747 59.5951 30.5338 178.3968 68 S 3.9310 8.4136 112.5709 60.9474 61.8664 175.2206 69 F 4.5393 7.9617 121.0075 59.3864 38.0075 177.3548 70 V 3.1656 6.9738 118.4068 65.0534 31.2561 176.0054 71 Q 4.1663 7.9787 115.4990 56.2731 29.7191 176.1895 72 F 5.0006 8.4721 117.0273 55.8729 40.5956 171.8290 73 P 4.9597 0.0000 0.0000 62.9920 32.7902 176.8647 74 N 4.3552 8.4390 116.1626 54.3488 38.6667 173.9449 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 P 0.00 4.32 0.00 2.06 2.08 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 2 G 7.50 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 3 P 0.00 4.33 0.00 2.24 2.31 0.00 3.86 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 2.08 2.00 0.00 4 V 7.35 3.29 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 0.63 0.00 0.00 0.93 0.00 0.00 5 L 7.68 4.62 0.00 1.70 1.49 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.27 0.00 2.18 2.11 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 7 K 8.22 3.87 0.00 1.79 1.88 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.55 7.81 8 N 8.25 4.26 0.00 2.82 2.84 0.00 0.00 6.81 8.08 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 9 A 7.93 4.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.95 3.93 0.00 1.67 1.70 0.88 0.80 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 11 M 8.27 4.03 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 12 Q 8.44 3.90 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 13 L 8.01 4.02 0.00 1.92 1.92 1.21 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.04 4.30 0.00 2.84 3.05 0.00 0.00 7.24 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 15 E 8.56 4.04 0.00 2.05 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 2.34 2.34 0.00 16 I 7.95 3.98 1.92 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.11 0.84 0.00 0.00 17 K 8.16 4.67 0.00 2.08 1.88 0.00 1.49 0.00 0.00 1.32 0.00 0.00 2.57 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.20 1.41 7.81 18 P 0.00 4.32 0.00 2.10 2.15 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 19 G 7.78 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 0.00 0.00 0.00 20 L 8.14 4.48 0.00 1.76 1.58 1.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.62 4.75 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 22 Y 8.88 5.05 0.00 2.81 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 23 M 9.07 4.93 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 24 L 8.65 5.02 0.00 1.77 1.67 1.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.91 4.70 0.00 1.73 1.54 0.95 0.72 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 26 S 7.77 3.37 0.00 3.90 4.09 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 27 Q 7.42 5.10 0.00 1.27 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.03 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 28 T 6.18 4.42 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 1.13 0.00 0.00 29 G 8.18 3.85 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 0.00 0.00 0.00 30 P 0.00 4.29 0.00 1.59 1.95 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 31 V 7.86 3.61 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 0.69 0.00 0.00 0.94 0.00 0.00 32 H 7.81 4.90 0.00 3.22 3.42 0.00 5.47 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 33 A 7.46 4.89 1.23 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 0.00 0.00 0.00 34 P 0.00 4.38 0.00 2.30 2.27 0.00 3.76 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 2.31 2.14 0.00 35 L 8.78 4.91 0.00 1.67 1.61 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 F 9.02 5.70 0.00 3.23 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 37 V 8.70 4.92 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 0.73 0.00 0.00 0.98 0.00 0.00 38 M 8.98 5.22 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 39 S 9.31 5.27 0.00 3.84 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 40 V 8.65 4.27 0.80 0.00 0.00 0.00 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 0.51 0.00 0.00 41 E 9.12 5.11 0.00 1.93 1.77 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 2.14 2.17 0.00 42 V 8.47 4.28 1.77 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 -0.62 0.00 0.00 0.61 0.00 0.00 43 N 9.97 4.14 0.00 2.75 2.82 0.00 0.00 7.68 8.09 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 44 G 8.40 3.90 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 0.00 0.00 0.00 45 Q 8.41 4.65 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 5.11 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 46 V 8.16 4.96 1.96 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 0.88 0.00 0.00 0.88 0.00 0.00 47 F 9.19 4.72 0.00 3.03 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 48 E 9.05 5.13 0.00 1.93 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 2.22 2.30 0.00 49 G 9.24 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 50 S 8.95 5.44 0.00 3.91 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 51 G 9.24 4.44 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 52 P 0.00 5.35 0.00 2.13 2.13 0.00 3.55 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 53 T 9.14 3.04 4.19 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 0.00 0.00 1.03 0.00 0.00 54 K 7.50 3.82 0.00 1.55 1.68 0.00 1.49 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.72 0.60 7.81 55 K 7.46 3.87 0.00 1.73 1.75 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.38 7.81 56 K 7.98 3.87 0.00 1.79 1.83 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.46 7.81 57 A 8.16 4.16 1.56 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 0.00 0.00 58 K 8.20 4.18 0.00 2.11 2.17 0.00 1.02 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.60 1.40 7.81 59 L 7.77 3.95 0.00 1.89 1.93 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.71 4.15 0.00 3.42 3.38 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.31 4.05 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 62 A 8.51 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.22 3.88 0.00 2.15 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 2.46 2.54 0.00 64 K 8.12 3.69 0.00 1.98 1.81 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.52 7.81 65 A 8.33 3.41 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 66 L 8.30 3.54 0.00 1.71 1.77 0.75 0.86 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 67 R 7.90 3.78 0.00 1.71 1.89 0.00 3.17 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 68 S 8.41 3.93 0.00 2.96 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 69 F 7.96 4.54 0.00 3.38 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 70 V 6.97 3.17 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 0.65 0.00 0.00 0.55 0.00 0.00 71 Q 7.98 4.17 0.00 1.70 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.02 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 72 F 8.47 5.00 0.00 3.08 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 73 P 0.00 4.96 0.00 2.30 2.21 0.00 3.86 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 2.05 1.98 0.00 74 N 8.44 4.36 0.00 2.78 2.62 0.00 0.00 6.86 7.57 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