NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3290 8.2649 123.5851 51.9344 19.8135 179.5910 2 R 4.5913 9.0385 118.5301 55.4935 32.4086 173.2635 3 K 4.5791 9.5140 126.0845 57.0443 35.1585 173.8589 4 F 5.0800 7.6208 112.5532 57.2561 39.4084 171.7022 5 Y 4.4719 6.8060 114.4825 58.0140 42.5993 171.7635 6 V 4.5157 8.3375 118.1551 62.6832 35.0081 173.9951 7 D 5.0007 8.3038 119.4950 60.1111 41.2503 177.4282 8 Q 3.4783 7.5298 115.7476 57.6240 28.4710 178.4675 9 D 4.2147 12.0000 117.7004 56.5707 41.3080 176.9083 10 E 4.5805 7.9999 117.9789 55.9888 30.1040 174.4924 11 C 4.5723 7.5780 118.5254 57.0534 32.3278 172.9540 12 I 3.7993 8.3118 121.7538 61.7565 37.6586 177.4874 13 A 5.6002 7.1834 135.0000 52.1337 20.8390 175.6514 14 C 4.5880 7.6796 113.7215 58.8668 31.5079 173.6169 15 E 4.4153 8.5121 120.6056 56.6193 29.3322 178.3491 16 S 4.0440 8.0099 117.2604 62.1713 62.6110 176.4589 17 C 3.9425 7.6923 114.9599 61.5036 29.7924 175.1894 18 V 3.7583 7.7260 121.1313 65.6974 30.8366 177.6852 19 E 3.9663 8.7156 118.1040 59.5158 29.2215 179.1668 20 I 4.0642 7.4229 114.2975 61.2552 38.4002 176.2444 21 A 4.7198 7.5306 120.1120 51.7265 21.2564 176.0600 22 P 5.1742 0.0000 0.0000 61.5625 31.8010 178.7824 23 G 3.9811 8.6011 107.4728 47.0631 0.0000 174.1135 24 A 4.9984 8.0168 120.2045 52.6290 20.9795 177.2089 25 F 5.0194 8.1300 111.9650 55.6544 41.0097 175.9557 26 A 4.5684 8.8749 118.5928 51.2530 21.8624 175.6461 27 M 5.7233 9.1873 120.3694 56.1625 32.0753 174.9097 28 D 4.9560 8.2801 119.1742 51.8277 45.0876 174.2009 29 P 4.3462 0.0000 0.0000 64.8996 31.9807 177.2737 30 E 4.0171 8.7399 120.1015 58.1925 29.5833 177.2220 31 I 4.1734 7.2254 108.7039 61.4299 38.0161 176.5920 32 E 4.1933 7.3915 118.4764 56.5764 26.2183 174.9723 33 K 4.6177 7.2543 118.7555 55.1575 37.3519 175.4204 34 A 5.0265 8.6161 124.0182 52.2958 19.3262 176.7173 35 Y 4.9280 9.5878 119.7936 55.0338 41.6203 175.8741 36 V 3.8344 7.6532 122.8198 60.6513 28.8088 175.4054 37 K 3.6939 6.8836 127.4183 59.1471 34.1843 176.9315 38 D 4.6372 7.5098 120.8903 51.9344 41.3667 176.5379 39 V 3.9832 7.9821 121.0442 63.9407 31.8328 178.3687 40 E 4.2787 8.2669 117.6194 57.7674 29.7595 177.9501 41 G 3.6438 7.6840 106.2559 47.1455 0.0000 173.6465 42 A 4.6078 7.4102 121.6166 49.6239 21.3702 176.7372 43 S 4.4840 8.5010 119.0410 58.0210 65.0721 175.1995 44 Q 4.2352 8.8307 122.4459 59.7965 28.4663 179.6956 45 E 4.0143 8.1868 118.6617 59.8291 29.4750 178.6069 46 E 4.0805 8.1466 118.5202 58.3535 29.5163 178.8178 47 V 3.4397 8.3664 119.6063 66.6416 31.8264 177.7513 48 E 4.1862 8.5600 118.7818 59.0378 29.2086 178.2148 49 E 3.9059 8.5168 118.1362 59.7597 29.6995 179.6672 50 A 4.0811 8.2654 121.9902 54.7690 18.2929 179.2542 51 M 3.8477 8.1584 117.3088 58.7586 32.4107 177.6325 52 D 4.5080 7.6563 115.8297 56.3415 41.6305 176.8913 53 T 4.1266 7.8864 115.3925 65.6130 68.9634 174.5906 54 C 4.2300 7.3051 121.6663 58.4061 32.2191 171.7108 55 P 4.3426 0.0000 0.0000 65.9098 31.2574 178.0072 56 V 3.8408 7.6285 110.3056 60.3168 32.8765 175.5807 57 Q 3.4497 7.8664 118.3317 57.0877 25.2343 173.7561 58 C 4.6982 7.5298 107.2788 58.6187 30.3068 173.1995 59 I 4.7416 7.4130 119.7098 60.5125 40.5086 174.3943 60 H 4.9614 8.1444 123.6033 53.9423 33.1592 173.3792 61 W 4.5653 9.3661 122.8659 56.8384 30.2854 175.3575 62 E 4.6699 9.3330 123.4173 54.9526 30.6377 175.9844 63 D 4.4258 9.1072 127.5193 55.8069 42.0340 175.6569 64 E 4.2573 8.1054 123.0810 56.1121 29.7260 175.0358 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 A 8.26 4.33 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.04 4.59 0.00 1.98 2.11 0.00 3.17 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 3 K 9.51 4.58 0.00 1.67 1.63 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.04 0.89 7.81 4 F 7.62 5.08 0.00 2.43 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 5 Y 6.81 4.47 0.00 3.12 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 6 V 8.34 4.52 2.40 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 1.28 0.00 0.00 0.27 0.00 0.00 7 D 8.30 5.00 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.53 3.48 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.99 0.00 0.00 0.00 0.00 0.00 2.56 2.97 0.00 9 D 12.00 4.21 0.00 2.96 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 10 E 8.00 4.58 0.00 1.96 1.92 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 2.21 2.33 0.00 11 C 7.58 4.57 0.00 2.93 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.31 3.80 1.86 0.00 0.00 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 1.32 0.77 0.90 0.00 0.00 13 A 7.18 5.60 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 14 C 7.68 4.59 0.00 3.05 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 15 E 8.51 4.42 0.00 2.01 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 2.36 2.38 0.00 16 S 8.01 4.04 0.00 3.76 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.69 3.94 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.73 3.76 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 1.06 0.00 0.00 1.02 0.00 0.00 19 E 8.72 3.97 0.00 2.21 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 0.00 2.33 2.48 0.00 20 I 7.42 4.06 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.32 0.88 0.00 0.00 21 A 7.53 4.72 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 22 P 0.00 5.17 0.00 2.21 2.21 0.00 3.34 0.00 0.00 4.77 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 23 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 24 A 8.02 5.00 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 25 F 8.13 5.02 0.00 2.99 2.92 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 26 A 8.87 4.57 1.43 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 27 M 9.19 5.72 0.00 2.09 2.16 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 2.60 2.44 0.00 28 D 8.28 4.96 0.00 2.16 2.19 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 0.00 29 P 0.00 4.35 0.00 2.18 2.13 0.00 3.71 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 30 E 8.74 4.02 0.00 1.98 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 2.29 2.21 0.00 31 I 7.23 4.17 1.85 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.93 0.00 0.00 32 E 7.39 4.19 0.00 2.04 2.34 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 2.25 2.47 0.00 33 K 7.25 4.62 0.00 1.93 1.73 0.00 1.85 0.00 0.00 2.16 0.00 0.00 3.23 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.61 1.44 7.81 34 A 8.62 5.03 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 35 Y 9.59 4.93 0.00 3.03 3.14 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 36 V 7.65 3.83 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 0.80 0.00 0.00 0.71 0.00 0.00 37 K 6.88 3.69 0.00 1.51 0.74 0.00 1.44 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.59 1.09 7.81 38 D 7.51 4.64 0.00 2.60 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.98 1.85 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 0.23 0.00 0.00 0.80 0.00 0.00 40 E 8.27 4.28 0.00 2.12 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 2.32 2.30 0.00 41 G 7.68 3.64 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 0.00 0.00 0.00 42 A 7.41 4.61 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 43 S 8.50 4.48 0.00 3.92 3.84 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 44 Q 8.83 4.24 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.84 2.73 0.00 45 E 8.19 4.01 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 46 E 8.15 4.08 0.00 2.19 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 2.41 2.38 0.00 47 V 8.37 3.44 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 -0.22 0.00 0.00 0.49 0.00 0.00 48 E 8.56 4.19 0.00 2.67 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 2.68 2.72 0.00 49 E 8.52 3.91 0.00 2.32 2.02 0.00 0.00 0.00 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 2.47 0.00 50 A 8.27 4.08 1.36 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 0.00 0.00 51 M 8.16 3.85 0.00 2.29 2.04 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 2.59 2.52 0.00 52 D 7.66 4.51 0.00 2.67 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 53 T 7.89 4.13 4.25 0.00 0.00 0.00 0.00 0.00 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 54 C 7.31 4.23 0.00 2.75 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 55 P 0.00 4.34 0.00 2.20 2.13 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 56 V 7.63 3.84 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 0.91 0.00 0.00 0.95 0.00 0.00 57 Q 7.87 3.45 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.24 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 58 C 7.53 4.70 0.00 3.15 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 59 I 7.41 4.74 1.95 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 0.85 1.30 0.83 0.00 0.00 60 H 8.14 4.96 0.00 2.92 3.16 0.00 5.87 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 9.37 4.57 0.00 3.24 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.33 4.67 0.00 2.26 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 2.20 2.27 0.00 63 D 9.11 4.43 0.00 2.76 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 64 E 8.11 4.26 0.00 1.97 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 2.20 2.28 0.00