NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8501 8.1976 109.7376 46.3280 0.0000 174.3378 4 I 2.3972 8.0687 116.1715 61.0518 38.0238 172.7083 5 R 4.3850 9.2941 124.7315 54.9174 31.1073 177.0591 6 E 4.2060 8.5790 126.9774 56.0723 31.0576 177.1709 7 K 4.6276 8.6191 122.7248 55.9403 31.5641 176.7335 8 I 4.1560 8.3549 126.9223 61.3066 38.8361 175.1430 9 K 4.9471 8.3178 121.3956 55.7237 35.3344 175.4649 10 L 4.9519 9.1918 124.9194 53.4189 43.6751 175.5038 11 V 4.6529 8.8030 124.5692 60.7704 33.9630 174.8873 12 S 3.0104 8.4133 123.0620 58.1921 62.0825 174.4870 13 S 4.2675 8.0187 121.4207 60.7995 63.4287 174.4889 14 A 4.1639 7.8577 123.3414 51.5136 18.8414 178.2454 15 G 3.6137 8.5589 108.4004 48.5120 0.0000 174.6796 16 T 3.8863 6.8651 106.1562 62.0087 68.9632 173.7948 17 G 3.9335 8.4606 110.4162 45.8727 0.0000 173.4993 18 H 4.7026 8.4673 121.3421 56.4705 31.3084 174.1702 19 F 5.5633 7.2158 113.9979 57.1115 40.1785 173.4866 20 Y 4.1152 8.7184 120.6344 57.9774 39.5754 174.2186 21 T 4.8967 8.2126 114.7896 61.1991 70.5131 172.8346 22 T 4.6253 8.1166 122.8319 61.8461 71.1170 171.5003 23 T 5.5486 8.4070 109.6137 60.5307 72.5663 172.6463 24 K 4.4451 8.8967 119.7646 56.1935 35.3093 175.0786 25 N 4.7724 8.8067 120.1235 51.7542 37.5580 175.2110 26 K 4.1689 8.4208 125.8856 59.2741 32.3652 177.9814 27 R 4.1719 7.4649 118.5702 59.1067 30.4506 178.5153 28 T 4.4043 7.8906 107.6381 61.8044 69.0276 175.4798 29 K 4.6150 7.6707 114.6291 56.3615 35.2919 173.9182 30 P 4.5734 0.0000 0.0000 64.7744 32.1939 177.8689 31 E 3.9876 8.0260 116.7108 55.6436 29.8647 176.5589 32 K 4.1973 8.6008 122.7978 56.2046 32.3638 176.6345 33 L 4.2379 8.4638 125.3013 55.5721 41.1973 176.0890 34 E 5.0762 8.3440 121.5604 54.6952 33.2913 174.7368 35 L 4.5313 8.5155 121.0829 54.6371 44.2732 174.1723 36 K 4.7818 8.6553 120.1125 56.9455 32.9582 176.5497 37 K 4.4370 8.8873 122.1250 55.3368 37.0898 173.9021 38 F 4.9239 7.9007 122.5702 57.0423 41.0382 174.9879 39 D 4.7670 8.8974 127.0696 51.2493 41.4070 175.3114 40 P 4.0294 0.0000 0.0000 65.3655 31.7383 178.9247 41 V 3.6356 7.6872 111.2418 63.0394 31.7520 176.7813 42 V 4.0420 7.7957 117.3692 62.3664 31.6887 175.8085 43 R 3.6581 7.2617 116.0133 56.8395 28.0751 175.1945 44 Q 4.9737 7.2748 116.1845 55.0081 34.2793 174.5679 45 H 5.2484 8.9864 117.7697 55.8253 30.0560 175.1829 46 V 4.6069 8.9565 120.8352 61.2510 35.7385 173.5333 47 I 4.2001 8.5385 126.0226 62.1340 37.7844 174.4795 48 Y 4.9255 9.0113 124.4772 56.3696 40.9835 174.9873 49 K 4.6965 8.3519 123.0000 55.5030 36.5045 171.2075 50 E 4.1746 9.3481 125.5884 55.9130 30.6224 174.0959 51 A 4.7062 8.5971 127.3039 52.4205 21.0111 176.2990 52 K 4.2109 8.3587 125.5721 57.7226 32.1889 176.2798 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 3 G 8.20 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 0.00 0.00 0.00 4 I 8.07 2.40 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.91 0.00 0.00 5 R 9.29 4.38 0.00 1.77 1.91 0.00 3.26 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 6 E 8.58 4.21 0.00 1.94 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 2.33 2.30 0.00 7 K 8.62 4.63 0.00 1.66 1.83 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 8 I 8.35 4.16 1.93 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 1.30 1.15 0.96 0.00 0.00 9 K 8.32 4.95 0.00 1.81 1.84 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.38 7.81 10 L 9.19 4.95 0.00 1.84 1.89 0.90 0.63 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 11 V 8.80 4.65 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 0.90 0.00 0.00 0.93 0.00 0.00 12 S 8.41 3.01 0.00 3.77 3.60 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 13 S 8.02 4.27 0.00 3.83 4.13 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 14 A 7.86 4.16 1.21 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 15 G 8.56 3.61 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 0.00 0.00 0.00 16 T 6.87 3.89 4.24 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 0.00 0.00 0.00 1.27 0.00 0.00 17 G 8.46 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 18 H 8.47 4.70 0.00 3.24 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.22 5.56 0.00 3.42 2.96 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 0.00 0.00 0.00 20 Y 8.72 4.12 0.00 2.74 2.82 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 21 T 8.21 4.90 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 1.14 0.00 0.00 22 T 8.12 4.63 4.27 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 1.24 0.00 0.00 23 T 8.41 5.55 4.40 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 1.25 0.00 0.00 24 K 8.90 4.45 0.00 1.81 1.92 0.00 1.38 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.47 7.81 25 N 8.81 4.77 0.00 2.75 2.76 0.00 0.00 6.47 6.75 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 26 K 8.42 4.17 0.00 2.01 1.81 0.00 1.66 0.00 0.00 1.99 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.59 7.81 27 R 7.46 4.17 0.00 2.07 1.86 0.00 3.18 0.00 0.00 3.22 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 28 T 7.89 4.40 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 29 K 7.67 4.61 0.00 1.84 1.75 0.00 1.94 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.41 7.81 30 P 0.00 4.57 0.00 2.18 2.18 0.00 3.38 0.00 0.00 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 31 E 8.03 3.99 0.00 2.10 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 2.29 2.29 0.00 32 K 8.60 4.20 0.00 1.78 1.84 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.44 7.81 33 L 8.46 4.24 0.00 1.75 1.70 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.34 5.08 0.00 1.85 2.07 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 2.23 2.46 0.00 35 L 8.52 4.53 0.00 1.69 1.72 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.66 4.78 0.00 1.72 1.90 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.52 7.81 37 K 8.89 4.44 0.00 0.79 0.74 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 1.01 7.81 38 F 7.90 4.92 0.00 2.78 2.96 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 0.00 0.00 0.00 39 D 8.90 4.77 0.00 2.82 2.51 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 40 P 0.00 4.03 0.00 2.16 2.25 0.00 3.20 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 41 V 7.69 3.64 2.05 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 0.65 0.00 0.00 0.93 0.00 0.00 42 V 7.80 4.04 2.16 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 0.74 0.00 0.00 0.90 0.00 0.00 43 R 7.26 3.66 0.00 2.00 2.32 0.00 3.29 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 44 Q 7.27 4.97 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 45 H 8.99 5.25 0.00 3.13 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.96 4.61 2.05 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 0.88 0.00 0.00 0.99 0.00 0.00 47 I 8.54 4.20 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 1.37 1.06 0.95 0.00 0.00 48 Y 9.01 4.93 0.00 3.05 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 49 K 8.35 4.70 0.00 1.81 1.65 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.63 7.81 50 E 9.35 4.17 0.00 2.14 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 2.19 2.53 0.00 51 A 8.60 4.71 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 52 K 8.36 4.21 0.00 1.93 1.82 0.00 2.01 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.44 7.81