NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5696 8.3049 120.3487 55.1988 33.7262 175.0309 1 K 4.1920 9.2155 126.2999 55.2697 33.3524 173.2754 2 V 3.6541 8.5556 115.5843 64.4393 32.2733 178.3981 3 K 4.1996 8.0033 120.2800 59.1170 32.0650 178.6756 4 Q 3.9821 7.9253 117.9342 58.6899 28.5429 178.4257 5 L 3.9772 7.8082 120.9906 58.1592 41.7891 178.5441 6 E 3.9562 8.6289 119.0007 59.6800 29.4025 179.1894 7 D 4.4162 8.5456 118.9776 57.0920 40.8024 178.7047 8 A 3.9920 7.8359 121.1361 55.0560 18.3005 179.8312 9 V 3.5391 8.0210 116.9937 66.1364 31.6142 177.9183 10 E 3.9236 8.5542 119.4088 59.1391 29.3997 178.6294 11 E 3.9838 8.1701 118.7415 59.4516 29.4692 179.3393 12 L 4.0296 7.9728 118.9965 57.7403 41.5739 179.5481 13 L 4.0165 8.3099 119.3466 57.8071 41.6201 179.7614 14 S 4.0641 8.2723 114.9091 61.4439 62.7600 176.3682 15 A 4.0765 8.1576 123.5097 55.4962 18.1350 179.2975 16 N 4.2856 8.5096 115.5893 56.6457 38.9598 176.2950 17 Y 4.0009 8.3078 121.3395 61.2621 38.9135 178.1476 18 H 4.2313 8.2632 116.4688 58.6102 28.8335 177.6058 19 L 3.9639 8.1856 122.2724 58.2685 41.8898 178.8074 20 E 3.9463 8.5803 118.8966 59.4794 29.3652 179.1671 21 N 4.1596 8.0238 116.1853 56.2208 38.5447 177.3123 22 A 3.9770 7.9943 122.1100 55.0679 18.3935 179.9213 23 V 3.4642 7.9127 116.4879 66.0742 31.7931 177.9948 24 A 3.9583 8.1241 120.7274 55.1501 18.1556 179.5762 25 R 3.8027 8.0477 116.9938 59.7272 30.1707 178.8543 26 L 4.0361 8.1229 118.8437 57.6262 41.6758 179.6233 27 K 3.9546 8.4581 119.0200 59.4130 31.7214 179.5368 28 K 4.0367 7.7743 117.5979 59.3116 32.0239 179.1299 29 L 4.1224 7.7249 118.5887 57.7832 41.6124 179.3543 30 V 3.8169 7.9097 117.5533 65.7321 31.4917 176.5546 31 G 3.8645 7.6996 108.7048 44.9717 0.0000 173.0430 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 0 M 8.30 4.57 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 1 K 9.22 4.19 0.00 1.86 1.70 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 2 V 8.56 3.65 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 0.77 0.00 0.00 0.93 0.00 0.00 3 K 8.00 4.20 0.00 1.86 1.81 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.51 1.46 7.81 4 Q 7.93 3.98 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 5 L 7.81 3.98 0.00 1.75 1.79 0.92 0.99 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 6 E 8.63 3.96 0.00 2.14 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 2.33 2.53 0.00 7 D 8.55 4.42 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 3.99 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 9 V 8.02 3.54 2.21 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 1.08 0.00 0.00 1.00 0.00 0.00 10 E 8.55 3.92 0.00 2.18 2.06 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 2.28 2.33 0.00 11 E 8.17 3.98 0.00 2.24 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 2.45 2.50 0.00 12 L 7.97 4.03 0.00 1.90 1.73 0.93 0.70 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 13 L 8.31 4.02 0.00 1.81 1.73 0.92 1.03 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 14 S 8.27 4.06 0.00 4.06 3.94 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 15 A 8.16 4.08 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 16 N 8.51 4.29 0.00 3.03 2.87 0.00 0.00 6.90 8.18 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 17 Y 8.31 4.00 0.00 3.15 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 18 H 8.26 4.23 0.00 3.34 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.19 3.96 0.00 1.86 1.88 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.58 3.95 0.00 1.88 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 2.31 2.63 0.00 21 N 8.02 4.16 0.00 2.78 2.75 0.00 0.00 6.90 7.29 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 22 A 7.99 3.98 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 23 V 7.91 3.46 2.18 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 1.06 0.00 0.00 0.99 0.00 0.00 24 A 8.12 3.96 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 25 R 8.05 3.80 0.00 2.01 2.03 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 L 8.12 4.04 0.00 1.84 1.69 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.46 3.95 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.60 7.81 28 K 7.77 4.04 0.00 1.92 1.86 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.61 7.81 29 L 7.72 4.12 0.00 1.74 1.73 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.91 3.82 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 0.80 0.00 0.00 0.99 0.00 0.00 31 G 7.70 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 0.00 0.00 0.00