NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8326 8.2133 109.7371 45.5196 0.0000 175.0189 4 I 3.2728 7.8513 117.0821 60.7945 36.1528 172.8252 5 R 4.6636 8.1204 120.2305 54.1057 33.3979 174.7613 6 E 4.4325 8.2409 120.5199 55.7472 31.2108 175.9320 7 K 4.5920 8.5598 122.3046 56.2819 33.2830 176.4312 8 I 4.7078 8.6086 124.8822 59.5498 40.9837 175.2197 9 K 5.4085 8.2249 122.3302 55.3977 34.6216 176.0347 10 L 4.6463 8.6723 126.6733 53.5887 42.5366 176.7894 11 V 4.2248 8.2608 124.5015 62.4480 32.7299 175.6146 12 S 2.7900 8.6702 122.5183 57.7108 62.7360 173.9561 13 S 4.1840 7.8858 119.9963 58.7778 63.2043 173.1491 14 A 4.6860 7.1678 124.4188 49.8720 21.4147 177.6737 15 G 3.7526 8.5317 108.1243 47.6589 0.0000 174.5085 16 T 3.9206 7.3511 111.2350 61.9270 68.8849 174.8846 17 G 3.7739 8.7018 113.7567 47.6200 0.0000 173.4812 18 H 4.3997 8.3087 120.0216 56.4854 30.3038 173.5867 19 F 5.4612 7.8857 119.5539 55.8890 41.8778 172.2692 20 Y 4.7427 8.7283 116.4380 57.1239 41.2393 174.7609 21 T 5.4293 7.7708 112.2068 63.2096 70.3626 172.9764 22 T 4.4783 8.0521 122.2536 62.1551 71.3570 170.9052 23 T 4.9410 8.1766 109.9062 60.1746 71.2017 174.0021 24 K 4.1574 8.0338 119.5855 56.0105 36.8922 173.4272 25 N 4.6106 8.5070 126.9307 52.6323 39.1898 174.3658 26 K 3.8638 8.1971 126.7399 59.9781 32.1550 178.2993 27 R 4.0717 7.9100 120.0910 59.5164 30.3946 178.6521 28 T 4.1866 8.6242 108.9377 63.3952 68.7143 174.9755 29 K 4.4680 7.3929 120.3773 54.4269 36.0897 174.1866 30 P 4.4006 0.0000 0.0000 65.1489 31.7553 177.0957 31 E 4.0330 7.9854 114.8845 55.9782 29.8744 176.6464 32 K 4.0493 8.5429 121.3581 57.1636 33.8178 176.0848 33 L 4.6116 8.4806 121.0717 53.6126 43.1268 175.5088 34 E 5.0325 8.3942 123.7248 54.5167 31.7350 175.7961 35 L 4.3385 8.5255 121.1319 54.9427 42.8807 171.0031 36 K 3.9819 8.6016 125.0242 56.5095 31.8463 174.8091 37 K 4.6969 8.7637 121.8920 54.3188 36.0894 176.1281 38 F 4.3872 8.9938 126.7758 59.1175 40.2703 173.5089 39 D 4.7231 6.2029 117.5447 51.6952 42.1534 174.9751 40 P 4.5083 0.0000 0.0000 64.5550 31.7229 177.3673 41 V 3.9944 7.5241 116.3056 63.2542 32.3020 176.0458 42 V 4.1393 7.3162 115.6902 61.6311 32.4216 176.0551 43 R 3.6951 7.6129 115.3165 57.5165 28.8321 174.6051 44 Q 4.6150 7.2405 118.4537 54.4729 33.2642 173.6693 45 H 4.9354 8.5054 118.6741 54.5645 29.0108 175.7370 46 V 4.1719 8.1078 123.2939 60.1678 34.3626 175.6362 47 I 4.7910 7.9817 123.1617 59.9260 35.3835 174.4064 48 Y 4.0697 8.2166 123.1430 58.1765 39.6610 175.4176 49 K 4.7523 8.2623 121.7911 56.0471 37.2575 172.3293 50 E 4.0853 9.0670 122.7190 56.4277 31.2066 174.2008 51 A 4.4411 8.3258 123.5242 51.5392 20.4859 176.4157 52 K 4.2252 8.4850 125.6140 57.3725 31.5104 177.1109 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 8.21 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 3.27 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 1.42 0.56 0.91 0.00 0.00 5 R 8.12 4.66 0.00 1.77 1.80 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 6 E 8.24 4.43 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 7 K 8.56 4.59 0.00 1.66 1.76 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 8 I 8.61 4.71 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.25 0.98 0.00 0.00 9 K 8.22 5.41 0.00 1.87 1.99 0.00 1.09 0.00 0.00 2.37 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.34 7.81 10 L 8.67 4.65 0.00 1.74 1.88 1.08 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.26 4.22 2.13 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 0.89 0.00 0.00 0.97 0.00 0.00 12 S 8.67 2.79 0.00 3.75 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.89 4.18 0.00 3.92 4.02 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 0.00 0.00 0.00 14 A 7.17 4.69 1.14 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 0.00 0.00 15 G 8.53 3.75 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 0.00 0.00 0.00 16 T 7.35 3.92 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 1.26 0.00 0.00 17 G 8.70 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.40 0.00 3.22 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.89 5.46 0.00 3.16 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.74 0.00 2.83 2.86 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 21 T 7.77 5.43 4.28 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 1.03 0.00 0.00 22 T 8.05 4.48 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 1.27 0.00 0.00 23 T 8.18 4.94 4.25 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 1.21 0.00 0.00 24 K 8.03 4.16 0.00 1.85 1.67 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.29 7.81 25 N 8.51 4.61 0.00 2.77 2.67 0.00 0.00 6.80 5.97 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 26 K 8.20 3.86 0.00 1.77 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.61 7.81 27 R 7.91 4.07 0.00 1.92 2.00 0.00 3.28 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 28 T 8.62 4.19 4.25 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 1.25 0.00 0.00 29 K 7.39 4.47 0.00 1.76 1.73 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.29 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.56 7.81 30 P 0.00 4.40 0.00 2.05 2.10 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 31 E 7.99 4.03 0.00 2.08 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 2.29 2.29 0.00 32 K 8.54 4.05 0.00 1.68 1.90 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.51 7.81 33 L 8.48 4.61 0.00 1.67 1.64 0.94 0.86 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 34 E 8.39 5.03 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 35 L 8.53 4.34 0.00 1.69 1.70 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.60 3.98 0.00 1.94 1.89 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.46 7.81 37 K 8.76 4.70 0.00 0.92 0.86 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.19 0.88 7.81 38 F 8.99 4.39 0.00 2.75 2.91 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 39 D 6.20 4.72 0.00 2.81 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 40 P 0.00 4.51 0.00 2.08 2.22 0.00 3.40 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 41 V 7.52 3.99 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 0.78 0.00 0.00 0.96 0.00 0.00 42 V 7.32 4.14 2.13 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 0.87 0.00 0.00 0.90 0.00 0.00 43 R 7.61 3.70 0.00 1.91 2.05 0.00 3.17 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 44 Q 7.24 4.62 0.00 2.18 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 45 H 8.51 4.94 0.00 3.07 3.30 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.11 4.17 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 0.65 0.00 0.00 0.82 0.00 0.00 47 I 7.98 4.79 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.92 0.00 0.00 48 Y 8.22 4.07 0.00 2.77 2.81 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 0.00 0.00 0.00 49 K 8.26 4.75 0.00 1.73 1.90 0.00 1.38 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.36 7.81 50 E 9.07 4.09 0.00 2.24 2.04 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 2.20 2.40 0.00 51 A 8.33 4.44 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 8.48 4.23 0.00 1.84 2.16 0.00 1.77 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.39 7.81