NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9336 8.3549 109.7338 44.7991 0.0000 173.2540 2 S 4.6732 7.5045 115.7056 56.6034 65.2698 170.9247 3 H 4.3241 8.4118 120.0868 56.6481 29.7247 174.7567 4 T 4.1004 8.3993 120.1919 60.9403 67.9228 172.3015 5 P 4.5612 0.0000 0.0000 62.5991 32.3687 174.9285 6 D 5.1960 8.3893 118.9395 52.1205 42.1792 174.9233 7 E 4.9521 8.5246 121.2198 54.7929 33.4768 174.0416 8 S 5.5862 7.4919 111.6246 57.3011 66.6837 172.9305 9 F 5.1086 8.8883 121.3042 55.6782 42.4437 173.5252 10 L 5.1564 9.1768 126.6446 54.1761 43.7279 174.4630 11 C 5.3640 9.9497 125.2909 56.7285 35.9798 172.3172 12 Y 4.9316 9.5075 122.1071 56.2368 40.6698 174.9494 13 Q 4.8591 9.1550 122.9820 53.4424 32.3351 174.2294 14 P 4.4609 0.0000 0.0000 65.0162 31.2660 176.7367 15 D 4.6530 7.7268 115.6406 53.0284 40.8895 174.5242 16 Q 4.8989 8.3355 116.8722 55.6097 34.0565 173.7655 17 V 4.3365 8.0632 115.3969 59.7509 35.7461 173.5607 18 C 5.8720 9.1896 123.3952 54.5626 43.7407 170.4957 19 C 5.5249 8.9375 118.5349 54.0083 44.0696 172.6087 20 F 5.8432 9.3542 119.7275 54.8929 43.0480 173.6924 21 I 5.3639 7.9887 122.5844 59.2902 39.5011 175.1485 22 C 5.7107 8.9887 124.1614 54.7270 43.5752 174.2954 23 R 4.5329 8.5086 118.6537 55.8908 29.0380 175.8753 24 G 4.1883 8.2434 114.3587 47.0000 0.0000 173.9278 25 A 4.2289 7.9193 123.9963 51.0953 20.5550 172.8846 26 A 3.7997 7.4690 117.7688 50.0159 22.2851 173.6692 27 P 3.7804 0.0000 0.0000 61.8679 32.1744 175.7595 28 L 4.4486 8.3094 119.4919 52.6074 41.6365 175.3818 29 P 4.4095 0.0000 0.0000 62.7760 30.4817 175.8146 30 S 4.6724 8.5688 115.9692 57.5821 63.7719 173.6723 31 E 4.8652 8.8641 114.2279 55.3981 31.6464 176.4620 32 G 4.4431 7.1501 112.5845 46.5179 0.0000 175.3458 33 E 4.8867 8.2136 125.0325 55.3333 33.4011 171.8288 34 C 6.0844 8.4381 115.2654 56.2982 43.6480 173.1739 35 N 5.2883 8.7567 117.8745 51.2218 43.4101 171.7951 36 P 4.5229 0.0000 0.0000 63.6150 31.5503 175.2580 37 H 5.0169 8.7370 123.4370 52.2641 33.2605 173.5067 38 P 4.7999 0.0000 0.0000 61.6400 30.3537 179.6630 39 T 3.8397 8.0756 109.9438 59.3674 69.4888 173.6633 40 A 4.2078 7.7131 130.3507 50.9381 20.8876 174.9560 41 P 4.3044 0.0000 0.0000 65.4489 31.5950 178.3894 42 W 4.2920 7.9488 116.3460 59.2048 28.2571 178.8031 43 C 3.3152 6.5641 118.9054 59.3502 42.8715 175.4446 44 R 3.6570 6.9607 118.1209 59.1925 29.7405 177.7920 45 E 4.1735 8.1973 118.5989 58.0816 29.7352 177.8770 46 G 4.7220 8.3536 104.4340 42.9647 0.0000 173.6840 47 A 4.4173 7.6108 124.5730 50.5573 18.1636 177.3150 48 V 4.6131 7.6451 125.6660 60.4140 31.9143 174.4828 49 E 4.7590 7.4193 116.4412 57.6081 32.2182 175.0798 50 W 4.9559 8.6605 116.4022 56.6563 33.2486 174.4052 51 V 4.7628 8.4467 120.8038 59.7650 34.8062 171.9009 52 P 5.1280 0.0000 0.0000 62.5500 31.4868 175.0139 53 Y 4.7283 8.7550 124.7202 55.8922 41.7190 176.9963 54 S 2.8983 5.9143 112.1150 60.0876 63.4163 174.7411 55 T 4.4051 8.6435 114.7814 61.9242 70.5682 176.0801 56 G 4.2108 7.7949 109.3759 46.9729 0.0000 171.9634 57 Q 5.4931 8.6911 122.6265 54.6873 31.8634 176.2965 58 C 5.4202 9.5536 123.0741 55.1571 44.0466 173.3306 59 R 4.4634 7.6000 118.3466 55.0287 32.3201 174.2591 60 T 5.1842 7.6825 112.1352 62.6046 70.2923 172.0044 61 T 4.6849 7.7843 118.0414 60.5873 71.2385 172.7115 62 C 5.4845 8.6746 125.3305 54.7699 41.4585 172.7100 63 I 4.6075 7.8384 116.4235 58.2866 41.2561 172.8632 64 P 4.6353 0.0000 0.0000 62.1122 32.6924 175.0745 65 Y 4.4309 8.6073 122.0841 57.2409 37.3527 177.9031 66 V 3.9615 7.4851 106.1869 61.1866 31.5969 175.5858 67 E 4.0951 7.7646 124.3451 56.6202 29.3778 176.4237 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 G 8.35 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 0.00 0.00 0.00 2 S 7.50 4.67 0.00 3.88 3.69 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 3 H 8.41 4.32 0.00 3.13 3.27 0.00 5.89 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.40 4.10 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 1.24 0.00 0.00 5 P 0.00 4.56 0.00 2.23 2.05 0.00 3.81 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 2.01 1.96 0.00 6 D 8.39 5.20 0.00 2.97 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 7 E 8.52 4.95 0.00 2.06 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 2.03 1.95 0.00 8 S 7.49 5.59 0.00 3.76 3.74 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 F 8.89 5.11 0.00 2.89 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 10 L 9.18 5.16 0.00 1.78 2.03 0.68 0.52 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 11 C 9.95 5.36 0.00 3.51 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.51 4.93 0.00 3.00 3.05 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 13 Q 9.15 4.86 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 14 P 0.00 4.46 0.00 2.19 2.19 0.00 3.84 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 2.00 1.99 0.00 15 D 7.73 4.65 0.00 2.67 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 16 Q 8.34 4.90 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.29 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 17 V 8.06 4.34 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1.85 0.00 0.00 -0.73 0.00 0.00 18 C 9.19 5.87 0.00 2.52 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.94 5.52 0.00 2.72 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 20 F 9.35 5.84 0.00 2.86 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 5.36 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.11 0.82 0.00 0.00 22 C 8.99 5.71 0.00 3.17 3.04 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 23 R 8.51 4.53 0.00 1.90 2.20 0.00 3.66 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 24 G 8.24 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 0.00 0.00 0.00 0.00 25 A 7.92 4.23 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 3.80 0.07 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 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 3.78 0.00 1.19 0.49 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.44 0.00 28 L 8.31 4.45 0.00 1.76 1.72 0.49 0.94 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 29 P 0.00 4.41 0.00 2.18 2.09 0.00 3.72 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 1.98 1.91 0.00 30 S 8.57 4.67 0.00 3.82 3.86 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 31 E 8.86 4.87 0.00 2.09 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 2.23 2.34 0.00 32 G 7.15 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 33 E 8.21 4.89 0.00 2.09 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 2.29 2.44 0.00 34 C 8.44 6.08 0.00 2.75 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 35 N 8.76 5.29 0.00 2.75 2.72 0.00 0.00 6.79 8.06 0.00 0.00 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 P 0.00 4.52 0.00 1.98 1.95 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 37 H 8.74 5.02 0.00 3.10 3.11 0.00 5.95 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.80 0.00 2.16 1.41 0.00 3.55 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 39 T 8.08 3.84 4.05 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 1.00 0.00 0.00 40 A 7.71 4.21 1.10 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 0.00 0.00 41 P 0.00 4.30 0.00 2.31 2.31 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 42 W 7.95 4.29 0.00 3.54 3.35 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 43 C 6.56 3.32 0.00 1.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 6.96 3.66 0.00 1.82 1.86 0.00 3.26 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 45 E 8.20 4.17 0.00 2.07 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 2.35 2.38 0.00 46 G 8.35 4.72 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 47 A 7.61 4.42 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 4.61 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 0.96 0.00 0.00 49 E 7.42 4.76 0.00 1.99 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 2.08 2.31 0.00 50 W 8.66 4.96 0.00 3.17 3.19 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 51 V 8.45 4.76 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 0.90 0.00 0.00 1.01 0.00 0.00 52 P 0.00 5.13 0.00 2.25 2.20 0.00 3.42 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 53 Y 8.76 4.73 0.00 2.99 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 54 S 5.91 2.90 0.00 2.72 3.17 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 0.00 0.00 0.00 55 T 8.64 4.41 4.29 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 1.32 0.00 0.00 56 G 7.79 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.69 5.49 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.73 3.01 0.00 58 C 9.55 5.42 0.00 2.85 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 59 R 7.60 4.46 0.00 1.33 1.52 0.00 2.26 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 60 T 7.68 5.18 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 0.96 0.00 0.00 61 T 7.78 4.68 4.29 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 1.49 0.00 0.00 62 C 8.67 5.48 0.00 2.82 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 63 I 7.84 4.61 1.17 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.61 0.00 0.00 64 P 0.00 4.64 0.00 2.13 2.06 0.00 3.48 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 65 Y 8.61 4.43 0.00 3.04 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 0.00 0.00 0.00 66 V 7.49 3.96 1.88 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 0.70 0.00 0.00 0.35 0.00 0.00 67 E 7.76 4.10 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 2.24 2.21 0.00