NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4356 8.3049 118.1945 55.1143 32.6145 173.7193 2 K 4.3742 8.1895 117.9010 52.0012 33.6452 174.3952 3 P 4.3516 0.0000 0.0000 62.7321 32.8524 175.6398 4 V 4.3909 8.1939 120.7572 61.6675 34.0864 174.5978 5 T 4.8396 8.1789 112.2560 58.7302 73.2374 174.7726 6 L 3.2503 7.8475 121.3889 58.3019 40.2129 178.9018 7 Y 4.2587 7.3504 118.3343 61.0686 37.8782 177.3897 8 D 4.4786 8.0397 119.4027 57.2458 40.8758 178.8695 9 V 3.5171 7.5187 118.0958 65.9950 31.5298 178.0044 10 A 4.0203 7.9559 120.4881 55.1388 17.8763 179.5521 11 E 3.9302 8.8118 117.5573 59.8457 29.4136 178.9710 12 Y 3.9723 8.2156 117.9736 59.9326 38.9367 176.7507 13 A 4.4073 8.3768 120.5094 51.5710 19.4899 176.9196 14 G 3.7422 7.7350 104.7033 47.0730 0.0000 173.1673 15 V 4.5366 8.1460 112.2270 59.4003 35.9204 175.4921 16 S 4.7204 8.1960 115.5905 57.7018 64.3139 175.0304 17 Y 4.1874 8.7386 122.1435 60.6268 37.3434 178.5600 18 Q 3.8491 7.2011 120.5891 59.3297 29.1322 178.5352 19 T 3.8133 7.8080 116.5603 66.4232 68.4594 176.6942 20 V 3.5745 7.7148 119.5888 66.3696 31.6360 178.1856 21 S 4.3579 8.1869 114.6384 61.6499 62.7133 177.0043 22 R 3.9874 8.2133 121.0747 58.8484 29.4877 179.1626 23 V 3.6854 7.3806 117.1696 65.6119 31.7129 177.9288 24 V 3.7819 8.1790 117.2785 66.2620 31.4988 177.5452 25 N 4.3830 8.6016 115.2399 54.0184 39.2153 175.0518 26 Q 3.4568 7.8009 116.4371 57.2205 26.5984 171.8672 27 A 4.8899 7.4510 121.4771 50.9402 22.3631 176.4034 28 S 4.4268 8.2765 111.2289 58.9986 64.1358 173.5475 29 H 4.6765 8.7566 114.6266 56.9841 25.5280 175.2851 30 V 4.3903 7.2255 116.5077 60.3451 34.4128 175.4500 31 S 4.5299 8.5347 122.0084 57.5873 65.6956 175.0167 32 A 4.0125 8.5484 125.5412 55.1098 17.6821 180.0126 33 K 3.8454 8.0513 118.0157 60.0885 32.3449 179.0035 34 T 3.9776 7.5907 108.7046 64.5496 68.6882 176.3419 35 R 3.8892 7.9011 121.3259 59.5912 30.0361 178.4114 36 E 4.0747 8.1971 117.9909 58.8101 29.1501 179.1939 37 K 4.1322 7.8052 117.8056 59.3568 32.9581 179.4130 38 V 3.7270 7.9395 119.6119 65.7161 31.3533 177.8836 39 E 4.0713 8.2669 117.1912 59.1278 29.5550 178.9037 40 A 4.1554 7.9728 120.6975 55.0392 18.4753 179.5271 41 A 3.9898 7.7863 119.0956 55.5766 18.3860 179.7928 42 M 4.1853 8.1293 116.3673 58.1375 31.7239 178.6645 43 A 4.0800 7.5411 119.9888 54.5787 18.8627 179.2878 44 E 3.9246 7.7943 115.9141 59.5195 29.8391 178.8860 45 L 4.0783 7.5360 115.9249 54.1478 43.3132 175.9616 46 N 4.1408 7.9162 114.9443 54.0687 34.9394 173.5948 47 Y 4.3954 8.4374 119.2524 57.1595 39.8500 174.4391 48 I 3.9947 8.0229 128.1249 58.4690 38.4591 173.7153 49 P 3.9032 0.0000 0.0000 62.2737 31.5781 176.9312 50 N 4.5407 8.6673 121.2088 52.7124 38.5793 176.0902 51 R 3.9275 8.4441 126.0711 58.9958 30.2168 178.5797 52 C 4.1868 8.0344 116.0693 62.1415 28.2692 175.6259 53 A 4.0233 7.7849 122.2317 55.0509 18.2243 179.2448 54 Q 4.0500 8.3658 118.1321 59.2133 28.8060 178.3771 55 Q 4.3305 7.5129 119.8218 57.4482 28.9641 177.7141 56 L 4.0728 7.6839 120.7830 57.9769 42.2795 178.3600 57 A 4.5279 8.4395 119.5884 52.0442 18.7615 177.2295 58 G 4.0933 7.5452 106.7290 42.6079 0.0000 172.9707 59 K 4.1274 8.6744 125.9237 57.0146 32.5517 177.0674 60 Q 3.4193 8.6682 126.6384 57.2896 27.6105 174.7402 61 S 4.3441 8.1815 114.5396 60.9311 63.7146 175.0549 62 L 4.3205 8.7597 123.8140 54.9507 42.5002 176.0311 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 4.44 0.00 2.14 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 2.57 0.00 2 K 8.19 4.37 0.00 1.84 1.78 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.49 7.81 3 P 0.00 4.35 0.00 2.21 2.07 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 4 V 8.19 4.39 2.28 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 0.99 0.00 0.00 1.07 0.00 0.00 5 T 8.18 4.84 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 1.34 0.00 0.00 6 L 7.85 3.25 0.00 1.60 1.67 0.96 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.35 4.26 0.00 3.00 2.93 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 8 D 8.04 4.48 0.00 2.85 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 9 V 7.52 3.52 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 1.13 0.00 0.00 0.44 0.00 0.00 10 A 7.96 4.02 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.81 3.93 0.00 2.17 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 2.62 2.51 0.00 12 Y 8.22 3.97 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.41 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 14 G 7.74 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 4.54 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 0.90 0.00 0.00 0.99 0.00 0.00 16 S 8.20 4.72 0.00 3.78 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.19 0.00 3.04 3.40 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 18 Q 7.20 3.85 0.00 1.78 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 19 T 7.81 3.81 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 1.21 0.00 0.00 20 V 7.71 3.57 2.26 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 0.94 0.00 0.00 1.03 0.00 0.00 21 S 8.19 4.36 0.00 4.07 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 22 R 8.21 3.99 0.00 2.09 1.98 0.00 3.12 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 23 V 7.38 3.69 2.27 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 0.94 0.00 0.00 1.04 0.00 0.00 24 V 8.18 3.78 2.26 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 1.03 0.00 0.00 1.19 0.00 0.00 25 N 8.60 4.38 0.00 2.94 2.87 0.00 0.00 7.36 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 26 Q 7.80 3.46 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.64 0.00 27 A 7.45 4.89 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.28 4.43 0.00 3.65 3.73 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 29 H 8.76 4.68 0.00 3.29 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.23 4.39 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 0.78 0.00 0.00 1.06 0.00 0.00 31 S 8.53 4.53 0.00 4.09 3.97 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 0.00 0.00 0.00 32 A 8.55 4.01 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 33 K 8.05 3.85 0.00 1.84 1.82 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 34 T 7.59 3.98 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 35 R 7.90 3.89 0.00 2.10 2.11 0.00 3.10 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 1.70 0.00 36 E 8.20 4.07 0.00 2.11 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 2.34 2.61 0.00 37 K 7.81 4.13 0.00 2.05 2.20 0.00 1.34 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.47 7.81 38 V 7.94 3.73 2.11 0.00 0.00 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 1.03 0.00 0.00 39 E 8.27 4.07 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 40 A 7.97 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 3.99 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.13 4.19 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.79 0.00 43 A 7.54 4.08 1.33 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 0.00 0.00 0.00 44 E 7.79 3.92 0.00 1.54 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.20 0.00 45 L 7.54 4.08 0.00 1.57 1.64 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.92 4.14 0.00 2.85 2.89 0.00 0.00 6.90 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.44 4.40 0.00 2.77 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.02 3.99 1.80 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 1.35 0.53 0.81 0.00 0.00 49 P 0.00 3.90 0.00 1.88 1.85 0.00 3.38 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 50 N 8.67 4.54 0.00 2.75 2.79 0.00 0.00 7.21 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.44 3.93 0.00 1.80 1.97 0.00 3.26 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 52 C 8.03 4.19 0.00 2.96 2.97 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 0.00 0.00 0.00 53 A 7.78 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.37 4.05 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 55 Q 7.51 4.33 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 56 L 7.68 4.07 0.00 1.85 1.82 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.44 4.53 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.55 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.67 4.13 0.00 1.76 1.78 0.00 1.93 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.37 7.81 60 Q 8.67 3.42 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.08 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 61 S 8.18 4.34 0.00 4.06 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.76 4.32 0.00 1.50 1.48 0.96 0.82 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