NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5465 8.2048 119.7153 55.3436 32.9184 174.5885 2 K 3.9241 7.3494 122.1079 54.1788 35.2833 176.1946 3 L 4.0810 8.4381 121.3211 58.4481 42.4050 177.8324 4 D 4.2837 8.0530 117.7418 57.4174 41.0454 177.9846 5 E 3.9167 7.9926 117.5065 59.5363 29.5973 178.9444 6 I 3.6280 7.4133 120.3151 63.9692 37.1166 178.3007 7 A 3.9924 7.8328 121.6288 55.0196 18.5393 180.0162 8 R 3.8445 7.9564 116.6089 59.4400 30.0345 179.2650 9 L 4.0115 8.3820 117.6280 57.3312 41.5917 179.1755 10 A 4.2673 7.7563 120.0495 55.4996 19.3996 178.7689 11 G 4.2651 6.8361 104.6887 46.2517 0.0000 173.6924 12 V 4.0773 8.1153 116.1165 59.4596 34.3247 174.8609 13 S 4.6912 8.2201 117.4891 56.6501 65.9690 175.2100 14 R 3.7983 8.3412 123.3207 59.7997 29.5012 177.7838 15 T 3.7539 7.5122 107.9291 64.1561 69.0861 176.7700 16 T 2.4800 7.2634 117.6853 65.7919 68.3931 176.1898 17 A 3.7989 7.9068 122.6952 55.1448 18.4367 179.3788 18 S 4.0972 7.3532 111.3464 61.8389 62.2383 176.0655 19 Y 4.5458 7.7330 119.3634 61.4173 37.4786 178.9913 20 V 3.7247 7.5366 118.6851 65.9895 31.4096 178.1451 21 I 3.7316 7.6376 118.6904 64.4844 37.0953 177.8383 22 N 4.6066 8.8259 115.6788 53.5819 38.6503 175.4341 23 G 3.8507 7.7953 107.9632 47.0840 0.0000 174.2186 24 K 4.3518 8.7725 116.1129 55.5534 33.1853 178.0909 25 A 4.1607 8.3674 123.7092 55.6600 18.2595 180.7105 26 K 3.9639 8.0677 113.0816 59.6832 32.4751 178.7465 27 Q 3.9740 7.6474 117.1190 58.8958 30.0847 176.8975 28 Y 4.0212 7.6838 113.8389 59.2797 36.0148 177.4230 29 R 4.6738 8.7045 121.4363 56.0282 32.2937 175.0122 30 V 4.6274 7.7242 108.9123 63.1575 33.0368 179.3027 31 S 4.1252 7.9731 116.1014 61.4492 63.3330 173.5922 32 D 4.8541 8.2727 115.4720 55.6242 47.3800 177.3784 33 K 3.8232 8.4653 118.5569 59.8674 32.0324 178.5287 34 T 3.9306 7.8580 111.6286 63.8357 67.4288 175.5871 35 V 3.8521 7.1034 120.8625 66.3153 31.3076 177.3530 36 E 3.8806 8.0918 116.0157 59.5717 29.2815 178.8469 37 K 3.8434 7.3387 119.2283 59.4161 32.5736 178.4939 38 V 3.8571 8.9555 119.1160 65.8339 31.6396 178.0469 39 M 4.0716 8.8381 119.0694 58.2906 31.6627 178.3299 40 A 4.1676 7.9480 120.7194 54.9961 18.3289 180.1146 41 V 3.6433 7.6557 116.9689 64.8963 32.0629 178.4017 42 V 3.7003 7.9041 120.1117 65.5989 30.9321 178.0654 43 R 4.0691 8.6432 115.8099 58.6159 29.3175 178.4277 44 E 3.7773 7.7857 117.9719 59.2413 29.8408 178.0918 45 H 4.4799 8.3833 115.5782 55.2738 29.2313 174.8037 46 N 4.2541 7.5427 117.5013 54.5697 37.5252 173.1330 47 Y 4.6025 8.1876 117.6847 57.2075 39.4837 174.3383 48 H 4.5965 8.1489 123.9231 52.9988 30.9642 172.8584 49 P 4.1729 0.0000 0.0000 62.8275 31.3062 175.9917 50 N 4.4506 8.2779 121.0688 53.7406 38.9560 173.6754 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 8.20 4.55 0.00 1.77 1.99 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.56 0.00 2 K 7.35 3.92 0.00 1.79 1.64 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.46 7.81 3 L 8.44 4.08 0.00 1.81 1.69 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.05 4.28 0.00 2.79 2.60 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 5 E 7.99 3.92 0.00 2.12 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 0.00 2.31 2.18 0.00 6 I 7.41 3.63 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.87 1.00 0.00 0.00 7 A 7.83 3.99 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 8 R 7.96 3.84 0.00 1.97 1.95 0.00 3.31 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 9 L 8.38 4.01 0.00 1.72 1.74 0.82 1.06 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 10 A 7.76 4.27 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 11 G 6.84 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 0.00 0.00 0.00 0.00 12 V 8.12 4.08 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 0.75 0.00 0.00 0.84 0.00 0.00 13 S 8.22 4.69 0.00 3.78 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.34 3.80 0.00 1.86 1.89 0.00 3.19 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 15 T 7.51 3.75 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 1.17 0.00 0.00 16 T 7.26 2.48 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 1.11 0.00 0.00 17 A 7.91 3.80 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 18 S 7.35 4.10 0.00 3.95 3.98 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 0.00 0.00 0.00 19 Y 7.73 4.55 0.00 3.23 3.15 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 20 V 7.54 3.72 2.30 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 1.08 0.00 0.00 1.05 0.00 0.00 21 I 7.64 3.73 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 0.70 0.00 0.00 22 N 8.83 4.61 0.00 3.01 2.98 0.00 0.00 7.34 7.72 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 23 G 7.80 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 24 K 8.77 4.35 0.00 1.99 1.37 0.00 1.92 0.00 0.00 1.47 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.36 7.81 25 A 8.37 4.16 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.07 3.96 0.00 1.70 1.84 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.52 7.81 27 Q 7.65 3.97 0.00 1.13 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 28 Y 7.68 4.02 0.00 2.51 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 0.00 0.00 0.00 29 R 8.70 4.67 0.00 1.84 1.94 0.00 3.19 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 30 V 7.72 4.63 2.20 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 1.27 0.00 0.00 1.18 0.00 0.00 31 S 7.97 4.13 0.00 3.85 3.89 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 0.00 0.00 0.00 0.00 32 D 8.27 4.85 0.00 2.76 2.62 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 0.00 0.00 0.00 0.00 33 K 8.47 3.82 0.00 1.89 1.91 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.54 7.81 34 T 7.86 3.93 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 1.29 0.00 0.00 35 V 7.10 3.85 2.25 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 1.11 0.00 0.00 1.07 0.00 0.00 36 E 8.09 3.88 0.00 2.24 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 0.00 2.55 2.39 0.00 37 K 7.34 3.84 0.00 1.84 1.98 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.46 7.81 38 V 8.96 3.86 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 1.12 0.00 0.00 0.96 0.00 0.00 39 M 8.84 4.07 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 40 A 7.95 4.17 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.66 3.64 2.12 0.00 0.00 0.00 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 1.05 0.00 0.00 42 V 7.90 3.70 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 1.19 0.00 0.00 1.09 0.00 0.00 43 R 8.64 4.07 0.00 2.07 2.17 0.00 2.87 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 44 E 7.79 3.78 0.00 2.02 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 0.00 2.39 2.30 0.00 45 H 8.38 4.48 0.00 3.32 3.40 0.00 5.76 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.54 4.25 0.00 2.86 3.00 0.00 0.00 7.24 7.54 0.00 0.00 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 8.19 4.60 0.00 2.89 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 48 H 8.15 4.60 0.00 3.07 3.10 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.17 0.00 2.27 2.14 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 50 N 8.28 4.45 0.00 2.58 2.62 0.00 0.00 7.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00