NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5888 8.3049 120.3271 55.2892 33.5206 175.7401 2 K 4.2360 7.7867 116.7004 57.5418 35.0977 177.4461 3 A 4.0332 8.0865 121.3617 54.6408 19.9120 178.9421 4 K 3.9022 8.2242 116.1257 59.5667 32.3477 177.3428 5 E 4.1903 7.6228 116.7077 58.1866 30.0238 176.8258 6 L 3.6968 7.1820 119.6480 56.7442 42.4752 175.7323 7 R 3.7285 9.0830 126.6184 56.4597 27.0036 175.0987 8 E 4.4611 7.8515 114.1723 55.0900 33.5663 173.4855 9 K 4.0580 8.2909 121.0467 57.7885 32.5012 176.8241 10 S 4.3446 8.7004 122.3264 61.5166 62.4617 176.9467 11 V 3.6027 7.6038 119.8870 65.9617 31.1395 177.5703 12 E 4.0656 8.0428 117.7306 59.5310 29.5285 178.4763 13 E 4.2280 8.6579 119.6176 59.5164 29.6368 178.5005 14 L 4.1121 7.7978 119.3555 57.0250 42.0321 178.2059 15 N 4.4567 9.2848 116.4802 56.2485 38.9857 176.9381 16 T 3.8316 8.0826 116.5323 68.2255 68.6511 175.6627 17 E 3.4310 8.1258 116.5307 59.1042 29.9937 178.2463 18 L 3.9543 8.2392 120.9669 58.2673 42.3971 179.9095 19 L 4.0037 8.2543 119.1446 57.5717 41.6698 178.4626 20 N 4.2349 9.9430 116.1809 57.5108 38.5773 176.5466 21 L 4.2142 8.5172 120.6718 56.0433 41.3044 180.3249 22 L 3.2828 8.3682 118.1565 57.6966 45.8300 181.1874 23 R 4.2269 8.0567 115.7556 57.2719 30.1259 178.9922 24 E 3.3562 9.4827 122.1118 60.3199 30.5037 179.0799 25 Q 3.8710 7.8240 124.0930 59.8022 29.9366 178.4925 26 F 4.1823 8.3385 121.3103 61.3788 39.5779 176.5762 27 N 4.0264 8.0771 115.4960 56.5964 38.4135 176.8236 28 L 3.8371 8.5073 120.1810 58.5595 41.7160 179.2200 29 R 3.6476 8.1574 116.6821 60.2579 29.9010 177.8993 30 M 3.6851 8.1465 117.8655 58.7663 31.9883 178.9389 31 Q 4.2213 8.6413 120.7753 58.3197 29.0526 177.9511 32 A 4.1069 8.3040 120.9829 55.1207 18.5660 179.1798 33 A 4.1007 8.4196 118.8319 54.7076 19.0128 178.5297 34 S 4.4527 7.8949 112.9435 58.8445 63.9449 176.6207 35 G 4.1515 8.2177 117.0952 47.7476 0.0000 176.0030 36 Q 4.0731 7.5854 119.4316 55.1912 28.9434 172.5140 37 L 3.7413 8.4030 130.8339 55.4805 41.7342 174.4872 38 Q 4.3757 8.7094 124.7654 57.4033 30.5389 177.0621 39 Q 4.4368 7.7019 118.0116 54.1371 27.7223 175.8792 40 S 4.0800 8.0902 120.9190 62.8037 63.0859 176.2963 41 H 4.1956 8.5094 117.8298 57.8898 27.5970 177.1622 42 L 3.6940 7.8314 121.7714 57.8461 41.7916 178.5058 43 L 4.0839 7.7418 118.8823 58.6948 41.6247 178.8600 44 K 3.7998 8.3194 118.1875 59.1805 31.7797 177.1103 45 Q 4.2213 7.2010 118.3218 57.1244 28.9685 174.8220 46 V 3.5281 7.6067 119.7604 63.0564 32.3290 173.0329 47 R 3.8915 8.1555 117.6119 59.9975 30.1222 179.0342 48 R 4.0799 8.0244 117.0983 58.6590 30.2480 178.4513 49 D 4.3594 8.1073 118.4125 57.5132 40.7723 178.5494 50 V 3.5378 8.5349 119.1479 66.3527 31.5469 177.6321 51 A 3.9719 7.8511 119.9136 55.4561 17.9608 180.0133 52 R 3.8003 8.1111 116.3748 59.3929 30.0295 178.9655 53 V 3.5845 7.5755 116.5768 66.4014 31.6291 178.0279 54 K 4.1430 8.4004 118.0974 59.5003 30.3881 179.6780 55 T 3.8919 7.7625 116.1079 65.7143 68.3648 175.0753 56 L 4.2256 7.2691 119.0755 55.7169 42.5545 176.3765 57 L 4.1874 8.7681 125.4936 55.8286 41.0774 175.5738 58 N 4.6390 7.7273 113.0376 54.4011 38.7718 174.6801 59 E 4.6241 7.4822 113.2301 56.6523 31.5416 177.2954 60 K 3.9840 8.1889 120.0642 58.8985 32.9262 176.7999 61 A 4.3113 8.7694 122.4252 51.8585 19.5613 177.7411 62 G 3.9875 8.8303 105.7678 46.1183 0.0000 173.9146 63 A 4.1816 7.8145 126.9391 52.3418 19.3628 176.1934 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 8.30 4.59 0.00 2.03 2.16 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 2.51 2.75 0.00 2 K 7.79 4.24 0.00 1.87 1.73 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.56 7.81 3 A 8.09 4.03 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 4 K 8.22 3.90 0.00 1.72 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 5 E 7.62 4.19 0.00 1.96 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 2.30 2.23 0.00 6 L 7.18 3.70 0.00 1.74 1.62 0.95 0.93 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 7 R 9.08 3.73 0.00 1.97 1.98 0.00 3.33 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 8 E 7.85 4.46 0.00 2.13 1.81 0.00 0.00 0.00 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 2.35 0.00 9 K 8.29 4.06 0.00 1.97 2.03 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.47 7.81 10 S 8.70 4.34 0.00 3.90 3.90 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 0.00 0.00 0.00 11 V 7.60 3.60 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 0.87 0.00 0.00 0.93 0.00 0.00 12 E 8.04 4.07 0.00 2.28 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 2.40 2.36 0.00 13 E 8.66 4.23 0.00 2.18 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 2.32 2.34 0.00 14 L 7.80 4.11 0.00 1.93 1.64 0.92 0.61 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 15 N 9.28 4.46 0.00 3.00 2.83 0.00 0.00 6.83 6.93 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 16 T 8.08 3.83 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 17 E 8.13 3.43 0.00 2.09 1.95 0.00 0.00 0.00 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 2.42 0.00 18 L 8.24 3.95 0.00 1.90 1.81 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.25 4.00 0.00 1.96 1.66 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 N 9.94 4.23 0.00 2.95 2.91 0.00 0.00 7.10 6.62 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 21 L 8.52 4.21 0.00 1.73 1.60 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.37 3.28 0.00 1.76 1.66 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.06 4.23 0.00 2.09 1.46 0.00 3.40 0.00 0.00 3.19 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 24 E 9.48 3.36 0.00 2.24 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 25 Q 7.82 3.87 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 26 F 8.34 4.18 0.00 3.08 3.25 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 0.00 27 N 8.08 4.03 0.00 2.94 2.83 0.00 0.00 7.11 6.25 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 28 L 8.51 3.84 0.00 1.72 1.68 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.16 3.65 0.00 2.10 1.84 0.00 3.10 0.00 0.00 3.18 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 30 M 8.15 3.69 0.00 1.75 1.88 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 31 Q 8.64 4.22 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 32 A 8.30 4.11 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 4.10 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.89 4.45 0.00 3.99 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 35 G 8.22 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.59 4.07 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.11 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 37 L 8.40 3.74 0.00 1.81 1.65 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.71 4.38 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.23 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 39 Q 7.70 4.44 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 40 S 8.09 4.08 0.00 4.07 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.51 4.20 0.00 3.44 3.63 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.83 3.69 0.00 1.70 1.70 0.72 0.92 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 43 L 7.74 4.08 0.00 1.76 1.74 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.32 3.80 0.00 1.86 1.91 0.00 1.62 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.59 7.81 45 Q 7.20 4.22 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 5.46 0.00 0.00 0.00 0.00 0.00 2.63 2.29 0.00 46 V 7.61 3.53 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.94 0.00 0.00 47 R 8.16 3.89 0.00 2.20 2.20 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 48 R 8.02 4.08 0.00 1.92 1.95 0.00 3.20 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 49 D 8.11 4.36 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.53 3.54 2.36 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 1.11 0.00 0.00 0.94 0.00 0.00 51 A 7.85 3.97 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 R 8.11 3.80 0.00 2.03 1.98 0.00 3.35 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 53 V 7.58 3.58 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 0.83 0.00 0.00 1.07 0.00 0.00 54 K 8.40 4.14 0.00 1.82 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.66 7.81 55 T 7.76 3.89 4.47 0.00 0.00 0.00 0.00 0.00 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 56 L 7.27 4.23 0.00 1.80 1.67 0.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.77 4.19 0.00 2.10 1.98 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.73 4.64 0.00 2.66 2.93 0.00 0.00 7.13 7.73 0.00 0.00 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 E 7.48 4.62 0.00 2.16 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 2.31 2.26 0.00 60 K 8.19 3.98 0.00 1.80 1.93 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 61 A 8.77 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.83 3.99 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 0.00 0.00 0.00 63 A 7.81 4.18 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