NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0748 8.0544 120.4150 62.7102 32.6014 174.1071 7 D 4.7876 8.7919 126.7061 52.5085 42.6797 174.8687 8 C 4.9637 8.5161 125.1492 56.9856 37.8541 174.9532 9 S 4.2231 8.8499 118.2798 61.0788 62.8882 174.7032 10 E 4.2444 8.2598 117.3591 56.5528 29.9708 175.3283 11 Y 4.4693 7.8095 116.7812 56.0416 40.7272 173.6782 12 P 5.1796 0.0000 0.0000 62.4359 31.2914 175.6065 13 K 4.5893 8.9053 118.7689 53.8413 34.4299 176.1246 14 P 4.4294 0.0000 0.0000 64.9412 31.7546 176.1109 15 A 4.7901 7.2894 117.9689 50.6984 22.2772 174.4169 16 C 5.1331 8.4081 116.3412 54.9208 43.9433 174.6047 17 T 4.2898 8.4453 112.7655 62.0268 69.1874 173.5420 18 N 5.0837 8.3654 117.6962 52.7477 39.3236 175.0297 19 E 4.3712 8.2003 115.0542 55.7141 31.2410 174.8476 20 Y 4.9694 8.3807 120.5036 56.3049 40.0948 176.1860 21 R 4.6333 8.3910 127.0722 54.2504 32.9502 172.5549 22 P 4.5706 0.0000 0.0000 62.4652 33.1294 175.6188 23 L 5.0442 8.6597 120.6472 53.0892 45.9761 174.5854 24 C 4.9044 8.7277 122.6770 54.9924 45.4253 173.7059 25 G 4.6152 9.0615 114.4414 45.5027 0.0000 174.3896 26 S 4.5355 9.3677 114.7536 59.4931 63.0887 174.6958 27 D 4.6733 8.1243 119.8792 52.8771 39.3460 176.2212 28 N 4.2291 8.0586 114.5639 54.2014 36.9692 173.4620 29 K 4.4167 8.1403 120.3769 55.3365 34.0912 175.6598 30 T 4.6405 8.2818 123.9219 63.5044 69.3998 173.5532 31 Y 4.2353 9.1208 125.4603 56.4469 39.2485 177.4780 32 G 3.6980 9.0726 113.0815 48.4633 0.0000 172.4987 33 N 5.2107 7.6691 116.7879 51.5378 40.7512 175.0982 34 K 3.9398 8.4521 121.4114 59.9016 32.1415 179.1221 35 C 4.9014 8.2061 119.4387 59.3442 39.6218 175.0744 36 N 4.3459 8.9609 118.4918 56.2559 38.1814 176.8752 37 F 3.5016 8.5907 122.3496 61.6721 39.4510 176.6197 38 C 3.6780 8.3136 116.1672 59.7982 40.3689 175.9830 39 N 4.1896 7.9860 117.8629 56.0096 38.0518 177.3602 40 A 3.8619 7.5435 122.4544 54.8025 18.3521 179.7961 41 V 3.1331 7.0191 116.8200 65.9986 31.4295 178.5104 42 V 3.5062 7.6274 117.9565 65.9299 31.1899 177.6096 43 E 3.9647 8.1561 118.1303 58.1994 29.5992 177.7482 44 S 4.5171 7.6911 113.3027 57.1741 63.2705 173.5349 45 N 4.2663 8.9240 119.3576 55.2183 37.4419 174.6852 46 G 3.8735 8.2363 101.6874 46.2355 0.0000 175.5970 47 T 4.0918 7.5361 118.1255 65.2355 68.9253 175.7342 48 L 4.0911 7.7250 123.5575 54.9325 42.6079 175.5518 49 T 4.8408 8.8598 115.3585 59.5100 72.9483 172.1077 50 L 4.1840 8.3926 123.6774 54.9418 42.2198 176.3153 51 S 4.4098 9.2428 124.2148 60.8754 63.7417 173.8868 52 H 4.3942 7.1092 112.0510 54.7671 31.5474 172.2704 53 F 4.3025 8.6302 117.3826 57.8837 39.5099 176.3112 54 G 3.9662 8.4346 109.4974 44.5074 0.0000 173.4347 55 K 4.1664 8.0320 117.4283 56.2872 32.6415 178.3199 56 C 4.5110 8.8423 118.2738 57.4708 41.0836 173.8491 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 6 V 8.05 4.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.04 0.00 0.00 7 D 8.79 4.79 0.00 2.77 2.59 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 0.00 0.00 0.00 0.00 8 C 8.52 4.96 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 4.22 0.00 4.04 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 0.00 10 E 8.26 4.24 0.00 1.92 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 2.30 2.44 0.00 11 Y 7.81 4.47 0.00 3.31 2.90 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 12 P 0.00 5.18 0.00 2.22 2.10 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 13 K 8.91 4.59 0.00 1.79 1.64 0.00 1.14 0.00 0.00 1.50 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.69 7.81 14 P 0.00 4.43 0.00 2.18 2.18 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 A 7.29 4.79 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 16 C 8.41 5.13 0.00 2.99 3.03 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 0.00 0.00 0.00 17 T 8.45 4.29 4.31 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 1.24 0.00 0.00 18 N 8.37 5.08 0.00 2.73 2.87 0.00 0.00 6.93 7.66 0.00 0.00 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 E 8.20 4.37 0.00 2.13 2.00 0.00 0.00 0.00 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 2.28 0.00 20 Y 8.38 4.97 0.00 2.78 2.90 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 21 R 8.39 4.63 0.00 1.71 1.74 0.00 3.20 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 22 P 0.00 4.57 0.00 1.92 1.52 0.00 3.36 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.61 0.00 23 L 8.66 5.04 0.00 1.25 1.05 0.64 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.73 4.90 0.00 2.82 2.61 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 25 G 9.06 4.62 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 0.00 0.00 0.00 26 S 9.37 4.54 0.00 3.99 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 27 D 8.12 4.67 0.00 2.86 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 28 N 8.06 4.23 0.00 2.93 2.97 0.00 0.00 6.75 6.92 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 29 K 8.14 4.42 0.00 1.79 1.61 0.00 1.48 0.00 0.00 1.16 0.00 0.00 2.43 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.77 1.19 7.81 30 T 8.28 4.64 4.21 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 1.25 0.00 0.00 31 Y 9.12 4.24 0.00 3.11 3.04 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 0.00 0.00 0.00 32 G 9.07 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.67 5.21 0.00 2.99 3.05 0.00 0.00 6.36 7.20 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 34 K 8.45 3.94 0.00 1.86 1.93 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.56 1.52 7.81 35 C 8.21 4.90 0.00 3.22 3.35 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 36 N 8.96 4.35 0.00 3.13 3.09 0.00 0.00 6.68 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.59 3.50 0.00 2.99 3.09 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 38 C 8.31 3.68 0.00 1.73 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 39 N 7.99 4.19 0.00 2.88 2.88 0.00 0.00 6.87 7.41 0.00 0.00 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 A 7.54 3.86 1.03 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 0.00 0.00 0.00 0.00 0.00 41 V 7.02 3.13 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.02 0.00 0.00 42 V 7.63 3.51 2.18 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 1.03 0.00 0.00 0.98 0.00 0.00 43 E 8.16 3.96 0.00 1.97 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 0.00 2.30 2.30 0.00 44 S 7.69 4.52 0.00 4.05 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 45 N 8.92 4.27 0.00 2.81 2.89 0.00 0.00 7.12 8.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.24 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.54 4.09 4.52 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 1.19 0.00 0.00 48 L 7.73 4.09 0.00 1.47 1.32 1.05 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.86 4.84 4.26 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 0.00 0.00 0.00 1.21 0.00 0.00 50 L 8.39 4.18 0.00 1.32 1.38 -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.24 4.41 0.00 3.67 3.87 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 0.00 0.00 0.00 52 H 7.11 4.39 0.00 3.20 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.63 4.30 0.00 3.10 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 54 G 8.43 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 0.00 0.00 0.00 55 K 8.03 4.17 0.00 1.80 1.80 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.51 7.81 56 C 8.84 4.51 0.00 2.94 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