NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5494 0.0000 0.0000 62.6263 33.6224 174.7379 2 M 5.2741 8.6285 120.5800 53.3442 35.2789 173.5287 3 I 4.8930 9.4117 124.3136 59.4957 41.3263 174.4202 4 S 5.3279 8.8914 119.7124 56.7212 66.5167 172.9465 5 C 4.7970 8.9860 121.2041 57.9913 34.4196 172.2540 6 D 5.4742 8.8566 126.9657 53.4957 41.8074 175.7599 7 M 4.2504 8.7912 119.7907 53.7174 35.2354 174.1853 8 R 4.5085 7.6095 118.4791 56.0911 30.7496 176.5412 9 Y 4.1719 8.5782 121.2973 59.5965 38.2820 176.1718 10 G 3.8926 9.1738 109.5647 45.6346 0.0000 174.6856 11 R 4.2362 7.5614 119.8242 55.8689 31.0114 177.0445 12 T 4.2751 8.8714 112.6413 61.1616 71.0018 175.6045 13 D 4.3736 8.6175 121.4170 57.8142 40.7791 178.9883 14 E 3.9614 8.2017 118.2736 59.6652 29.4074 179.3718 15 Q 3.9931 8.1687 117.9022 58.9676 28.7177 179.0358 16 K 4.0159 8.2430 119.5290 59.4485 32.0242 179.7155 17 R 3.9450 8.4083 118.6049 58.9502 29.9479 178.9052 18 A 3.9584 8.2395 120.8806 54.9597 18.3258 179.4486 19 L 3.8528 8.2189 119.3617 58.3026 42.1792 179.3094 20 S 3.7461 8.3823 114.1558 61.2546 62.8755 176.1696 21 A 4.0282 8.0225 124.5675 54.8015 18.0874 179.9247 22 G 3.4107 7.9840 104.0225 47.9586 0.0000 175.9845 23 L 3.8331 7.8242 122.1845 57.2599 41.4984 179.6642 24 L 3.8602 8.0483 119.3264 57.5589 41.5415 179.4553 25 R 3.8265 7.8114 118.5421 59.7402 30.0898 179.1061 26 V 3.6489 7.8696 112.1467 64.3786 31.4349 178.7696 27 I 3.7403 8.0176 120.0026 64.1455 36.9703 178.3891 28 S 4.3677 8.1365 115.5190 61.0479 62.0433 176.1647 29 E 3.9745 8.0403 119.7549 59.2766 29.2228 178.9157 30 A 4.1485 7.9829 120.4593 54.5801 18.6214 178.8797 31 T 4.3255 8.0897 106.0004 61.0475 69.6861 176.0807 32 G 3.8996 7.7690 109.2057 45.8136 0.0000 173.2859 33 E 4.4381 7.7686 119.7594 54.0987 30.8156 174.5210 34 P 4.5001 0.0000 0.0000 62.4265 32.4960 177.4698 35 R 3.8877 8.6382 118.6480 59.5901 30.0870 178.7119 36 E 4.1781 8.1305 115.2434 58.2658 29.6875 176.9223 37 N 4.7373 8.1635 115.5440 52.8913 38.6840 174.5979 38 I 4.6408 7.4475 119.7539 59.4934 38.9056 175.0748 39 F 4.6193 9.1697 130.8457 57.6300 40.7770 174.1368 40 F 5.5006 7.5991 126.7086 56.3154 42.4120 173.9086 41 V 3.9105 8.2961 124.7061 59.6896 34.4092 174.3002 42 I 4.3149 7.6901 125.0243 59.9333 38.6810 175.0841 43 R 4.4570 9.1071 126.6757 54.5641 32.0501 174.9417 44 E 5.3495 7.9865 123.6720 54.2563 31.3399 175.5694 45 G 4.5986 8.1798 108.9135 44.4770 0.0000 171.9883 46 S 4.9886 8.9987 114.5138 57.6629 64.0962 175.6806 47 G 3.8528 9.6792 110.4504 48.2426 0.0000 176.0633 48 I 3.8027 7.8979 118.9359 63.6919 38.0537 176.3024 49 N 4.5046 8.0497 115.6616 54.3573 38.7519 174.6795 50 F 4.6110 8.4632 118.5325 55.2786 41.2009 174.5143 51 V 4.5418 8.4016 124.5318 61.1127 32.9835 174.2575 52 E 4.6021 8.8746 127.3736 55.9400 31.8964 176.1983 53 H 4.2240 9.7701 120.1175 56.9971 26.3568 176.0076 54 G 3.9763 8.5991 105.5529 45.4422 0.0000 173.6786 55 E 4.7288 8.0037 120.6882 54.1976 32.2053 175.0340 56 H 5.4186 8.6764 121.7360 55.3726 29.5594 174.7534 57 L 4.7872 8.2854 121.8251 52.9851 43.5687 174.6268 58 P 4.6054 0.0000 0.0000 62.4161 32.3733 175.6790 59 D 4.5998 8.7623 120.4044 55.0970 41.5731 175.8788 60 Y 4.2157 8.7231 123.4683 56.9778 39.3812 174.8878 61 V 4.2410 7.6385 126.6727 58.8132 33.2618 173.5851 62 P 4.0994 0.0000 0.0000 62.3538 31.6255 176.4112 63 G 3.6288 8.7613 113.5823 46.5777 0.0000 173.0488 64 N 3.8399 7.7853 121.6219 52.7683 36.6621 174.1848 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 4.55 0.00 2.12 2.06 0.00 3.67 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 2.02 2.14 0.00 2 M 8.63 5.27 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 3 I 9.41 4.89 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 0.90 0.00 0.00 4 S 8.89 5.33 0.00 3.85 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 5 C 8.99 4.80 0.00 3.29 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 6 D 8.86 5.47 0.00 2.74 2.83 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 7 M 8.79 4.25 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 8 R 7.61 4.51 0.00 1.45 1.89 0.00 3.36 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.94 0.00 9 Y 8.58 4.17 0.00 2.93 2.96 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 10 G 9.17 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 11 R 7.56 4.24 0.00 1.65 1.79 0.00 2.49 0.00 0.00 2.86 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 12 T 8.87 4.28 4.26 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 1.30 0.00 0.00 13 D 8.62 4.37 0.00 2.75 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 14 E 8.20 3.96 0.00 1.98 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 0.00 2.41 2.36 0.00 15 Q 8.17 3.99 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 16 K 8.24 4.02 0.00 1.95 1.85 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.60 7.81 17 R 8.41 3.94 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 18 A 8.24 3.96 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 19 L 8.22 3.85 0.00 1.84 1.91 0.89 1.35 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 20 S 8.38 3.75 0.00 4.19 4.38 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 21 A 8.02 4.03 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 22 G 7.98 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 23 L 7.82 3.83 0.00 1.39 1.24 0.78 0.03 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 24 L 8.05 3.86 0.00 1.78 1.66 0.83 0.65 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 R 7.81 3.83 0.00 1.98 2.07 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 26 V 7.87 3.65 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 0.73 0.00 0.00 0.94 0.00 0.00 27 I 8.02 3.74 1.89 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 1.44 0.78 0.90 0.00 0.00 28 S 8.14 4.37 0.00 3.91 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 29 E 8.04 3.97 0.00 1.98 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 2.33 2.57 0.00 30 A 7.98 4.15 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 31 T 8.09 4.33 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 1.27 0.00 0.00 32 G 7.77 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 33 E 7.77 4.44 0.00 2.05 1.87 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 2.29 2.39 0.00 34 P 0.00 4.50 0.00 2.43 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 35 R 8.64 3.89 0.00 1.89 2.03 0.00 3.11 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 1.70 1.66 0.00 36 E 8.13 4.18 0.00 1.95 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 2.33 2.40 0.00 37 N 8.16 4.74 0.00 2.87 2.85 0.00 0.00 6.78 7.76 0.00 0.00 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 I 7.45 4.64 2.02 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 1.13 0.62 0.91 0.00 0.00 39 F 9.17 4.62 0.00 3.20 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 40 F 7.60 5.50 0.00 2.71 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 41 V 8.30 3.91 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 0.78 0.00 0.00 0.84 0.00 0.00 42 I 7.69 4.31 1.58 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 1.08 -0.36 0.74 0.00 0.00 43 R 9.11 4.46 0.00 1.78 1.79 0.00 3.39 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 44 E 7.99 5.35 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.84 0.00 45 G 8.18 4.60 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 0.00 46 S 9.00 4.99 0.00 4.25 4.14 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 0.00 0.00 0.00 47 G 9.68 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 48 I 7.90 3.80 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.97 0.00 0.00 49 N 8.05 4.50 0.00 2.93 2.55 0.00 0.00 6.82 6.73 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 50 F 8.46 4.61 0.00 3.25 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 51 V 8.40 4.54 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 0.81 0.00 0.00 0.59 0.00 0.00 52 E 8.87 4.60 0.00 1.99 1.73 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 2.24 2.36 0.00 53 H 9.77 4.22 0.00 3.31 3.35 0.00 5.76 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 54 G 8.60 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 55 E 8.00 4.73 0.00 2.05 1.80 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 0.00 2.22 2.33 0.00 56 H 8.68 5.42 0.00 3.22 3.28 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.29 4.79 0.00 1.88 1.63 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.61 0.00 2.09 2.07 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 59 D 8.76 4.60 0.00 2.63 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 60 Y 8.72 4.22 0.00 2.87 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 61 V 7.64 4.24 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 0.80 0.00 0.00 0.85 0.00 0.00 62 P 0.00 4.10 0.00 2.08 2.12 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.45 0.00 63 G 8.76 3.63 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 0.00 0.00 0.00 64 N 7.79 3.84 0.00 2.91 2.82 0.00 0.00 5.86 7.56 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