NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4461 8.2931 118.1962 55.4806 31.5063 172.8915 2 G 4.0768 7.6359 117.0236 43.7878 0.0000 172.8100 3 P 4.3086 0.0000 0.0000 61.9065 31.0999 175.9733 4 K 3.9988 9.3079 109.7156 55.3331 30.5332 174.6606 5 R 4.6166 7.7651 119.4177 56.9914 37.3868 174.3615 6 R 4.4937 8.1061 113.9896 57.1612 32.6381 173.9876 7 Q 4.6465 7.6241 113.0629 55.0639 31.9408 171.9696 8 L 4.6958 7.9191 115.6872 54.6002 42.5623 174.8108 9 T 4.4617 8.0586 108.9941 61.1656 71.2700 175.1623 10 F 4.1139 8.8946 124.5256 61.6564 37.9767 177.7212 11 R 3.7663 8.0972 117.3400 59.2931 29.9339 178.7317 12 E 4.0627 7.8164 115.4708 58.7832 29.7274 178.8654 13 K 3.8812 7.8753 121.2558 59.3101 32.1628 178.5806 14 S 3.8916 7.4613 113.4781 61.3731 62.3024 176.3794 15 R 3.8276 7.3115 120.7126 59.1416 29.7260 179.0948 16 I 3.4398 7.2854 119.6960 64.4613 37.2480 178.5375 17 I 3.7674 7.6161 120.2997 64.4490 36.6214 178.5773 18 Q 3.9884 7.8207 118.6490 58.4208 28.3739 177.4851 19 E 4.3213 7.9021 118.1844 57.1409 29.9331 177.5382 20 V 4.2054 7.7759 117.8553 63.3378 32.4525 177.0670 21 E 4.3766 7.8962 116.2928 57.4679 30.2011 177.2837 22 E 4.0006 7.6301 117.9839 59.1516 29.6793 177.0255 23 N 4.6247 8.0094 116.8683 51.9893 38.5390 173.2639 24 P 4.5066 0.0000 0.0000 64.0940 32.0827 176.4631 25 D 4.8640 7.9881 116.8760 53.8691 41.9528 175.1586 26 L 4.6401 7.6266 119.0709 52.9046 44.1639 176.2554 27 R 4.2292 8.0198 118.5674 55.9193 31.2231 178.1418 28 K 4.0323 8.7278 122.2057 59.6397 32.4360 179.7086 29 G 3.5114 7.9085 105.5296 47.6522 0.0000 175.0009 30 E 3.8598 8.0689 121.5486 59.1764 29.6611 178.8823 31 I 3.4433 7.5843 119.1147 64.0127 37.0750 178.1029 32 A 3.7898 7.7117 121.8837 55.1786 18.1098 179.8456 33 R 3.9549 7.6561 112.6514 58.4134 29.6314 178.3805 34 R 3.9811 7.1126 119.8287 58.6015 29.9796 176.8248 35 F 5.0904 6.1231 109.0926 55.8062 40.2707 173.1460 36 N 4.7253 8.7017 126.1328 53.9674 45.7800 175.5663 37 I 4.5789 8.6211 108.9710 58.2238 41.7077 172.9845 38 P 4.4227 0.0000 0.0000 61.8413 31.8831 174.9008 39 P 4.5988 0.0000 0.0000 63.1293 30.4853 176.7876 40 S 4.5272 7.7710 115.2566 61.7603 64.7881 176.9112 41 T 4.2617 7.6189 115.8491 65.7053 68.4750 177.1463 42 L 4.1416 7.8487 119.6188 57.2113 41.4654 178.8817 43 S 4.2611 7.9613 113.2460 61.5939 61.9750 176.0945 44 T 3.9848 7.8197 118.2952 66.4425 67.9561 176.3848 45 I 4.7836 7.6774 114.9051 62.3890 37.5322 177.6422 46 L 3.8437 7.3536 120.9275 57.3219 41.9655 177.7731 47 K 4.1981 7.5646 116.9450 58.6670 32.6395 177.6256 48 N 4.9194 7.9180 114.9556 52.5628 38.1526 176.7915 49 K 3.8996 7.6142 121.9926 61.3646 31.8464 178.3196 50 R 3.9713 7.9944 118.7615 58.7877 29.8589 178.1245 51 A 4.1268 7.8113 120.2191 54.9668 18.4006 179.2923 52 I 4.0971 7.7770 117.3119 63.5967 37.4240 176.7136 53 L 4.7698 7.5099 116.9396 54.6061 41.7932 177.6437 54 A 4.1298 7.7126 123.6505 55.4155 18.5083 180.0934 55 S 4.0599 8.2588 109.0978 61.2678 62.7060 173.4700 56 E 4.1524 8.2542 123.5688 56.6715 30.3938 173.8987 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 M 8.29 4.45 0.00 2.15 2.18 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 2.47 2.55 0.00 2 G 7.64 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.31 0.00 2.22 1.89 0.00 3.54 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 4 K 9.31 4.00 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.26 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.61 7.81 5 R 7.77 4.62 0.00 1.71 1.94 0.00 3.18 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 6 R 8.11 4.49 0.00 1.74 1.84 0.00 3.24 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 7 Q 7.62 4.65 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.30 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 8 L 7.92 4.70 0.00 2.05 1.71 0.94 0.62 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 9 T 8.06 4.46 4.30 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 1.24 0.00 0.00 10 F 8.89 4.11 0.00 3.18 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 11 R 8.10 3.77 0.00 1.95 1.96 0.00 3.24 0.00 0.00 3.46 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 12 E 7.82 4.06 0.00 2.20 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 0.00 2.49 2.29 0.00 13 K 7.88 3.88 0.00 2.03 1.72 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 14 S 7.46 3.89 0.00 3.41 3.72 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 15 R 7.31 3.83 0.00 2.09 1.77 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 16 I 7.29 3.44 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.04 1.00 0.00 0.00 17 I 7.62 3.77 2.01 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 1.63 1.13 0.89 0.00 0.00 18 Q 7.82 3.99 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 19 E 7.90 4.32 0.00 1.69 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 2.15 2.59 0.00 20 V 7.78 4.21 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 21 E 7.90 4.38 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 2.31 2.36 0.00 22 E 7.63 4.00 0.00 2.20 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 2.34 2.41 0.00 23 N 8.01 4.62 0.00 2.74 2.80 0.00 0.00 7.19 8.26 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 24 P 0.00 4.51 0.00 2.18 2.17 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 25 D 7.99 4.86 0.00 2.62 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 26 L 7.63 4.64 0.00 1.63 1.59 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.02 4.23 0.00 1.85 1.87 0.00 3.10 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 28 K 8.73 4.03 0.00 1.82 1.78 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.51 7.81 29 G 7.91 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.07 3.86 0.00 2.00 1.90 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 2.31 2.35 0.00 31 I 7.58 3.44 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.69 1.08 0.00 0.00 32 A 7.71 3.79 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.66 3.95 0.00 1.90 2.00 0.00 3.06 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 34 R 7.11 3.98 0.00 1.78 1.52 0.00 3.17 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 35 F 6.12 5.09 0.00 3.15 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 36 N 8.70 4.73 0.00 3.14 2.79 0.00 0.00 6.78 7.89 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 37 I 8.62 4.58 1.88 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 1.44 0.84 0.96 0.00 0.00 38 P 0.00 4.42 0.00 2.05 2.04 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 39 P 0.00 4.60 0.00 2.17 2.10 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 40 S 7.77 4.53 0.00 3.87 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 41 T 7.62 4.26 4.33 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 1.24 0.00 0.00 42 L 7.85 4.14 0.00 1.61 1.77 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.96 4.26 0.00 4.01 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 44 T 7.82 3.98 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 1.23 0.00 0.00 45 I 7.68 4.78 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 1.50 1.25 0.96 0.00 0.00 46 L 7.35 3.84 0.00 2.04 1.74 0.94 0.63 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 47 K 7.56 4.20 0.00 1.84 1.85 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.38 7.81 48 N 7.92 4.92 0.00 2.88 3.03 0.00 0.00 5.96 6.78 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 49 K 7.61 3.90 0.00 1.82 2.29 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.71 1.48 7.81 50 R 7.99 3.97 0.00 1.91 1.98 0.00 3.19 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 51 A 7.81 4.13 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 52 I 7.78 4.10 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.84 1.23 0.00 0.00 53 L 7.51 4.77 0.00 1.87 1.70 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.71 4.13 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 55 S 8.26 4.06 0.00 3.82 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.25 4.15 0.00 2.29 1.86 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 2.22 2.31 0.00