NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.1124 8.0544 120.3358 61.5781 32.3757 174.1123 7 D 4.7325 8.7515 124.7277 52.2552 42.9744 174.7984 8 C 4.9130 8.4903 123.0629 56.7602 41.7503 175.1049 9 S 4.1100 8.2345 116.8809 61.8641 62.2001 175.5978 10 E 4.1884 8.2935 116.2662 56.8798 29.2296 176.2202 11 Y 4.1191 8.1164 118.4918 55.8776 39.3528 173.3347 12 P 4.9032 0.0000 0.0000 62.2020 32.6783 175.4242 13 K 4.5324 8.5680 118.0199 53.5812 34.6109 175.3417 14 P 4.3435 0.0000 0.0000 65.3590 31.5160 176.2096 15 A 4.7506 7.5328 118.5633 50.6721 22.1448 175.4691 16 C 5.1328 8.4191 116.6184 54.9608 43.4357 174.6671 17 T 4.3278 8.4008 113.0830 61.9330 69.2617 173.7859 18 Q 4.7369 8.2754 119.2496 55.4080 29.5910 175.9944 19 E 4.3432 8.2228 114.7550 55.7532 31.1460 174.9669 20 Y 4.8309 8.4262 120.6166 56.2537 39.4250 175.8393 21 R 4.4623 8.6176 127.7191 53.9335 32.8058 172.7634 22 P 4.5093 0.0000 0.0000 62.3798 33.1329 175.3918 23 L 4.9739 8.8771 120.9751 53.0844 45.8806 174.4758 24 C 4.8938 8.5923 122.4690 54.9684 42.1390 173.8202 25 G 4.6876 9.3118 114.7299 45.3392 0.0000 174.3654 26 S 4.4972 9.3533 114.6401 59.6375 63.0550 174.5945 27 D 4.7481 8.0586 119.7821 52.9015 39.3426 176.1511 28 N 4.2200 8.0793 114.1905 54.2750 36.9623 173.5507 29 K 4.3570 8.1925 120.4981 55.5784 33.9482 175.7733 30 T 4.6476 8.3331 124.0762 63.4455 69.2579 173.5048 31 Y 4.3384 9.0228 125.7025 56.3650 39.3695 177.5993 32 G 3.7109 9.0751 113.2120 47.9989 0.0000 172.5302 33 N 5.1114 7.7030 116.9635 51.4971 40.8044 175.0035 34 K 3.8660 8.5791 122.2337 59.9896 32.1982 179.4325 35 C 4.6244 8.2073 119.4748 59.2632 37.9772 175.1291 36 N 4.3927 8.8964 118.3970 56.3352 38.1774 177.1956 37 F 3.5808 8.5497 122.2760 61.4445 39.3785 176.6320 38 C 3.7922 8.3941 116.4110 59.6349 40.8870 175.8499 39 N 4.3006 8.1313 118.1427 56.0350 38.0767 177.3164 40 A 3.9009 7.6477 121.9717 54.7611 18.2861 179.7772 41 V 3.1383 6.9005 116.8213 65.9366 31.5299 178.3287 42 V 3.4866 7.2824 117.5386 66.1773 31.2117 177.6429 43 E 4.1179 8.0138 117.5510 58.8874 29.1961 178.0554 44 S 4.2931 8.0661 112.7581 58.0349 63.2365 173.9258 45 N 3.9044 8.9653 120.4293 55.0315 37.3695 174.5155 46 G 3.8757 8.3894 102.5495 45.6814 0.0000 175.3195 47 T 4.1647 7.2907 110.0986 62.4259 69.6361 175.1874 48 L 4.1834 7.9236 125.0270 54.6884 42.8547 175.4875 49 T 4.8670 8.5712 114.8650 59.4431 72.9474 172.4383 50 L 4.1007 8.5171 124.4520 55.2891 42.0484 176.1055 51 S 4.4284 8.8520 122.8271 60.5006 62.6855 173.3790 52 H 4.5723 7.1469 112.2722 54.6816 31.6953 171.8988 53 F 4.3473 8.5807 117.6844 57.9132 39.6587 175.5462 54 G 3.8360 8.5102 109.8623 44.1574 0.0000 173.4166 55 K 4.2177 8.1139 117.5127 56.1526 32.6931 178.3146 56 C 4.5443 8.7910 118.3692 57.4777 41.0624 173.8218 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 4.11 2.14 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 0.96 0.00 0.00 0.98 0.00 0.00 7 D 8.75 4.73 0.00 2.73 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 8 C 8.49 4.91 0.00 2.92 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 8.23 4.11 0.00 4.04 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 0.00 10 E 8.29 4.19 0.00 1.89 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 2.35 2.45 0.00 11 Y 8.12 4.12 0.00 3.26 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 12 P 0.00 4.90 0.00 2.20 2.11 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 13 K 8.57 4.53 0.00 1.60 1.77 0.00 0.96 0.00 0.00 1.53 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.77 7.81 14 P 0.00 4.34 0.00 2.16 2.17 0.00 3.69 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 1.96 1.94 0.00 15 A 7.53 4.75 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 16 C 8.42 5.13 0.00 3.00 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 17 T 8.40 4.33 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 1.24 0.00 0.00 18 Q 8.28 4.74 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.05 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 19 E 8.22 4.34 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 2.27 0.00 20 Y 8.43 4.83 0.00 2.86 2.95 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 0.00 0.00 0.00 21 R 8.62 4.46 0.00 1.65 1.72 0.00 3.19 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 22 P 0.00 4.51 0.00 1.96 1.73 0.00 3.30 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.65 0.00 23 L 8.88 4.97 0.00 1.31 1.03 0.40 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.59 4.89 0.00 2.92 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 9.31 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.35 4.50 0.00 3.96 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 27 D 8.06 4.75 0.00 2.85 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 28 N 8.08 4.22 0.00 2.94 2.97 0.00 0.00 6.76 7.68 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 29 K 8.19 4.36 0.00 1.78 1.89 0.00 1.44 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.54 1.13 7.81 30 T 8.33 4.65 4.22 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 1.28 0.00 0.00 31 Y 9.02 4.34 0.00 3.09 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 9.08 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.70 5.11 0.00 2.99 3.06 0.00 0.00 6.35 7.81 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 34 K 8.58 3.87 0.00 1.84 1.91 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.52 1.50 7.81 35 C 8.21 4.62 0.00 3.22 3.19 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 36 N 8.90 4.39 0.00 3.23 3.09 0.00 0.00 6.69 8.92 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 37 F 8.55 3.58 0.00 2.98 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 38 C 8.39 3.79 0.00 1.78 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.30 0.00 3.01 2.90 0.00 0.00 6.79 6.55 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 40 A 7.65 3.90 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.90 3.14 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 0.90 0.00 0.00 0.05 0.00 0.00 42 V 7.28 3.49 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 0.94 0.00 0.00 1.04 0.00 0.00 43 E 8.01 4.12 0.00 1.99 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 0.00 2.31 2.31 0.00 44 S 8.07 4.29 0.00 4.04 4.11 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 0.00 0.00 0.00 0.00 45 N 8.97 3.90 0.00 2.79 2.93 0.00 0.00 7.20 7.90 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 46 G 8.39 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 0.00 0.00 0.00 47 T 7.29 4.16 4.22 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 1.19 0.00 0.00 48 L 7.92 4.18 0.00 1.43 1.32 1.03 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.57 4.87 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 1.20 0.00 0.00 50 L 8.52 4.10 0.00 1.30 1.38 -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.85 4.43 0.00 3.89 3.91 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 52 H 7.15 4.57 0.00 3.26 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.58 4.35 0.00 3.04 2.99 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 54 G 8.51 3.84 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 0.00 0.00 0.00 55 K 8.11 4.22 0.00 1.80 1.80 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.52 7.81 56 C 8.79 4.54 0.00 2.96 3.02 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