NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Y 4.7975 8.1449 118.3268 57.3461 39.4331 173.3926 7 Q 3.9555 8.6640 119.4645 55.9338 29.1415 176.8905 8 D 4.2848 8.8242 117.7482 57.8303 41.4468 178.7455 9 Q 3.9446 8.2944 119.7943 59.5649 28.7843 178.6418 10 E 3.9844 8.9487 120.3252 59.3460 29.7063 178.5827 11 Q 3.9677 8.0462 117.5431 58.8099 28.6501 178.6739 12 R 3.9330 8.5315 120.7287 59.2175 30.1973 178.2232 13 I 3.7358 7.5798 112.9840 64.2372 37.3511 178.0928 14 L 3.9804 8.2421 120.7176 57.5377 41.3244 179.4114 15 K 4.0985 7.7606 117.4393 58.7384 32.3910 178.5269 16 F 4.3583 8.3514 121.7846 61.3180 39.3523 177.0194 17 L 3.8112 7.9112 119.2154 58.8854 40.0077 178.8152 18 E 3.9898 7.8548 117.3635 58.1762 29.5439 178.1261 19 E 4.1110 7.8036 118.6392 57.5135 29.7868 176.7125 20 L 4.3755 8.3793 117.1631 54.3004 42.5876 176.4673 21 G 4.7012 7.5631 120.2052 44.8341 0.0000 171.3865 22 E 3.9206 8.3860 125.2874 57.4092 30.1356 177.1123 23 G 3.8713 9.2409 111.1187 45.4183 0.0000 172.2215 24 K 4.5957 7.4134 116.8789 54.2520 35.3981 174.3984 25 A 4.8726 8.1838 121.1900 51.4116 21.8392 175.1561 26 T 4.8158 8.3203 111.9968 61.7062 71.5031 172.0172 27 T 4.7601 8.5151 112.8169 59.3852 71.9424 175.1889 28 A 4.3505 8.6783 124.0563 56.0489 18.3965 179.5892 29 H 4.0596 8.2780 114.1563 59.2692 28.7073 177.1269 30 D 4.6666 7.8904 119.1965 57.2293 41.0751 177.9389 31 L 3.0622 8.1079 119.9451 57.4787 41.7971 179.5003 32 S 4.4194 8.1077 116.8434 60.6411 62.5754 177.4633 33 G 3.5737 7.4821 106.6473 47.7312 0.0000 175.8636 34 K 4.2193 8.1340 121.5885 59.0962 32.0947 179.7292 35 L 3.8927 8.1628 119.3075 55.5096 41.1221 178.8265 36 G 4.4843 7.1352 105.6813 46.0086 0.0000 173.5083 37 T 4.4712 6.9763 109.8187 58.7591 70.8410 172.5930 38 P 4.4208 0.0000 0.0000 62.3639 32.2881 177.7093 39 K 4.0494 8.5796 119.3146 59.4934 31.6738 179.7847 40 K 4.0505 7.9229 117.8474 58.9458 32.2252 178.6071 41 E 4.0248 8.0362 120.1800 59.1677 29.7947 178.5845 42 I 3.4886 7.6937 112.4088 64.1498 36.9644 177.6712 43 A 3.7397 7.9047 122.0058 54.1777 18.0407 179.6471 44 R 3.8171 7.8852 117.7768 59.7447 30.3042 178.9886 45 V 3.5664 7.6378 111.5925 64.3107 31.5539 178.5311 46 L 3.7973 7.5729 118.0980 57.7072 41.2146 179.3018 47 A 4.0865 7.3241 117.9605 54.5751 18.2119 179.2941 48 S 4.1922 8.2212 112.4988 61.3933 62.5603 176.3221 49 L 4.0668 8.4052 122.0313 57.5549 41.3876 179.1120 50 A 4.1854 7.9261 119.9343 54.3768 17.9713 179.1988 51 K 3.7823 7.3948 117.6344 59.4243 32.2157 177.8092 52 K 4.0551 7.9142 116.9146 57.8843 33.0799 177.8677 53 G 3.9902 8.3392 107.6736 45.0613 0.0000 173.7502 54 K 4.3191 8.0538 121.7107 56.7879 33.6897 176.0675 55 L 5.1103 7.8278 118.2752 53.5124 44.3652 175.7293 56 Q 4.8014 8.2847 117.8719 54.5858 33.6964 174.2440 57 K 5.0262 8.5655 120.4756 55.1632 33.5850 175.9882 58 E 4.0815 8.7632 126.4593 56.3084 28.9859 175.2972 59 A 4.8070 8.2039 131.7547 49.5406 18.6388 177.0951 60 G 3.7669 7.4454 117.1185 44.0628 0.0000 171.5812 61 T 3.7689 8.6436 111.4852 64.3616 68.6864 172.8337 62 P 4.2231 0.0000 0.0000 60.7767 31.1188 174.9643 63 P 4.2496 0.0000 0.0000 62.1380 29.8323 175.0235 64 L 3.7482 7.2584 124.8398 55.6848 44.2804 173.7380 65 W 5.0250 8.2900 120.0084 55.9785 31.4319 175.4322 66 K 4.9621 9.2443 119.4916 55.6298 36.1574 175.8577 67 I 4.6995 8.4143 113.9006 59.1519 40.1153 175.4771 68 A 4.3673 8.3936 124.9533 52.2403 18.8153 175.7764 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 6 Y 8.14 4.80 0.00 3.01 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 8.66 3.96 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.66 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 8 D 8.82 4.28 0.00 2.77 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 9 Q 8.29 3.94 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 10 E 8.95 3.98 0.00 2.13 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 2.03 2.27 0.00 11 Q 8.05 3.97 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.62 2.37 0.00 12 R 8.53 3.93 0.00 2.02 2.03 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 13 I 7.58 3.74 1.89 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 1.75 0.62 0.94 0.00 0.00 14 L 8.24 3.98 0.00 1.83 1.76 0.90 0.91 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 15 K 7.76 4.10 0.00 1.89 2.01 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.46 7.81 16 F 8.35 4.36 0.00 3.24 3.31 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 17 L 7.91 3.81 0.00 1.94 2.01 0.93 1.57 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 18 E 7.85 3.99 0.00 2.02 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 19 E 7.80 4.11 0.00 2.11 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 2.25 2.28 0.00 20 L 8.38 4.38 0.00 1.60 1.46 0.91 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.56 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 3.92 0.00 2.08 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 2.26 2.30 0.00 23 G 9.24 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 0.00 0.00 0.00 24 K 7.41 4.60 0.00 1.83 1.73 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 25 A 8.18 4.87 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 26 T 8.32 4.82 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 1.65 0.00 0.00 27 T 8.52 4.76 4.23 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 1.24 0.00 0.00 28 A 8.68 4.35 1.60 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 29 H 8.28 4.06 0.00 3.23 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.89 4.67 0.00 3.06 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 3.06 0.00 1.93 1.42 1.01 0.31 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 32 S 8.11 4.42 0.00 3.86 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 33 G 7.48 3.57 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 0.00 34 K 8.13 4.22 0.00 2.08 2.06 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.84 1.97 7.81 35 L 8.16 3.89 0.00 1.68 1.60 0.03 0.96 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 36 G 7.14 4.48 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 0.00 37 T 6.98 4.47 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 38 P 0.00 4.42 0.00 2.22 2.20 0.00 3.66 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 2.04 1.96 0.00 39 K 8.58 4.05 0.00 1.84 1.95 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.55 7.81 40 K 7.92 4.05 0.00 1.69 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.55 7.81 41 E 8.04 4.02 0.00 2.06 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 2.25 2.29 0.00 42 I 7.69 3.49 1.64 0.00 0.00 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 1.54 0.38 0.78 0.00 0.00 43 A 7.90 3.74 1.35 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 0.00 0.00 0.00 44 R 7.89 3.82 0.00 2.09 1.94 0.00 3.08 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 45 V 7.64 3.57 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 0.81 0.00 0.00 0.86 0.00 0.00 46 L 7.57 3.80 0.00 1.40 1.37 0.66 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.32 4.09 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.22 4.19 0.00 3.94 3.82 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 49 L 8.41 4.07 0.00 1.81 1.71 1.05 1.04 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 50 A 7.93 4.19 1.41 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 51 K 7.39 3.78 0.00 1.92 1.89 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 52 K 7.91 4.06 0.00 1.96 1.95 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.68 1.43 7.81 53 G 8.34 3.99 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 0.00 54 K 8.05 4.32 0.00 1.90 1.81 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.51 7.81 55 L 7.83 5.11 0.00 1.53 1.54 0.89 0.83 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 56 Q 8.28 4.80 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 57 K 8.57 5.03 0.00 2.16 2.09 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.67 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.54 7.81 58 E 8.76 4.08 0.00 2.38 1.95 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 2.31 2.29 0.00 59 A 8.20 4.81 1.29 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 0.00 0.00 60 G 7.45 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 61 T 8.64 3.77 4.22 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 1.20 0.00 0.00 62 P 0.00 4.22 0.00 2.16 2.11 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 63 P 0.00 4.25 0.00 2.09 2.06 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 64 L 7.26 3.75 0.00 1.78 1.62 0.90 1.20 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 65 W 8.29 5.03 0.00 3.24 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 66 K 9.24 4.96 0.00 1.54 1.92 0.00 1.67 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.52 7.81 67 I 8.41 4.70 1.90 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 1.31 0.69 1.00 0.00 0.00 68 A 8.39 4.37 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00