NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4130 0.0000 0.0000 62.2934 33.9987 174.9761 3 K 4.6049 8.3928 121.0816 55.0170 34.0426 173.6423 4 H 5.4530 10.2535 124.5693 54.0814 32.5258 173.5163 5 E 5.2347 8.6141 119.7272 54.7134 33.3450 174.9643 6 F 5.3387 9.5892 122.1676 55.6458 43.5628 173.9502 7 S 5.1828 8.9586 116.9420 57.2611 64.9893 173.2105 8 V 4.7063 8.4992 123.2651 61.0896 33.9063 175.8898 9 D 4.7232 8.8105 129.3503 53.9500 38.8300 174.0431 10 M 4.5992 8.0418 120.8065 53.4519 34.0111 176.1931 11 T 4.4983 8.4954 111.6818 61.5191 71.2532 173.0783 12 C 4.9325 7.6585 115.5464 55.0891 33.3238 174.8221 13 G 3.7578 8.7547 105.8303 47.9065 0.0000 175.7405 14 G 3.7904 8.2049 107.4652 48.0631 0.0000 175.3631 15 C 4.1710 7.9456 118.0866 62.5580 28.1446 175.9877 16 A 4.0410 7.9659 121.9210 55.1666 17.9666 179.4061 17 E 3.9238 8.4168 116.9615 59.3744 29.5491 179.3385 18 A 3.9533 7.9005 120.6090 55.0816 18.4667 179.7379 19 V 3.3992 7.5987 116.4499 66.2011 31.5181 177.9435 20 S 3.8739 8.0744 112.7435 61.6234 62.1770 176.4645 21 R 3.9076 8.3693 120.9031 59.4069 29.8077 179.5537 22 V 3.6223 7.8018 112.2051 64.1811 31.4666 178.7412 23 L 3.8324 7.7429 118.8453 57.6833 41.1687 179.0385 24 N 4.3825 8.0486 115.5627 56.3979 38.5878 176.9883 25 K 4.0641 7.8345 119.7172 59.2038 32.3298 178.2930 26 L 4.0326 7.6125 119.8456 57.1285 42.3137 178.1924 27 G 3.9249 7.9224 103.4043 45.2884 0.0000 172.3851 28 G 4.0825 8.6214 103.7879 46.5568 0.0000 173.8662 29 V 4.8282 7.8215 109.9469 59.0182 36.0608 175.3528 30 K 4.7034 9.1899 125.3626 54.8196 34.4988 174.4517 31 Y 5.6622 8.1131 124.4872 55.5377 41.7292 174.0838 32 D 4.8938 9.2800 118.8898 51.9740 43.3422 174.0736 33 I 4.7430 8.5851 122.0639 59.9398 39.6150 175.1090 34 D 4.6220 9.2594 129.0564 52.3222 40.8422 176.4908 35 L 3.9572 8.6305 126.8090 57.2686 42.3521 177.7303 36 P 4.3188 0.0000 0.0000 65.1929 31.2925 176.4704 37 N 4.6604 8.3090 113.7203 52.0901 39.3314 174.4904 38 K 3.9023 7.9213 117.6893 57.6903 30.5492 174.7296 39 K 5.1911 8.0572 116.0547 54.5984 36.5226 176.6245 40 V 4.8941 9.1602 124.0535 61.4733 34.5131 173.7529 41 C 5.3079 9.1190 126.0848 58.4660 30.5738 173.0253 42 I 5.1799 9.3117 123.7673 59.7480 40.8657 173.6814 43 E 5.1155 9.5449 129.2379 54.9544 31.0819 174.6329 44 S 4.9006 8.6424 119.8223 57.8718 65.5759 174.5625 45 E 4.2998 8.8908 122.7911 57.6753 29.9504 177.1166 46 H 4.3437 7.9735 117.1020 55.3488 29.4667 176.1490 47 S 4.3379 8.5445 118.2164 58.5001 64.7874 175.0263 48 M 3.8610 8.5736 122.1145 59.0523 31.7654 178.0842 49 D 4.3279 8.0487 118.2745 57.8259 40.9487 178.9715 50 T 3.8079 7.7827 115.7509 66.5553 68.4711 176.7577 51 L 3.7842 7.7944 120.8602 57.5781 41.5908 179.2401 52 L 3.6545 8.2402 120.3163 58.1897 41.8191 178.9515 53 A 3.9252 7.9631 119.4763 55.3470 18.4413 179.4034 54 T 3.8691 8.0050 114.4440 66.7734 68.4675 176.8971 55 L 3.8572 7.7405 120.8094 57.6319 41.6108 179.4675 56 K 4.1650 8.1884 117.4722 58.2330 31.7057 179.3773 57 K 4.0122 7.4249 119.3819 59.3941 32.0026 178.8719 58 T 3.9693 7.4546 109.1030 62.9206 68.4665 175.4524 59 G 3.8734 7.6652 108.2411 45.4748 0.0000 173.5321 60 K 4.3586 7.5092 118.4061 55.2437 33.4864 176.6376 61 T 4.1516 8.2755 118.0035 63.7073 69.3571 173.7168 62 V 5.0530 8.4313 126.0224 61.2352 34.5674 174.1613 63 S 4.8926 9.2231 120.7177 57.0186 66.9069 171.2692 64 Y 4.8741 8.6147 123.2331 55.9223 39.7560 175.0136 65 L 4.1387 8.4259 126.1297 54.4343 42.8912 176.6622 66 G 3.0536 5.7215 105.5451 43.6695 0.0000 172.5939 67 L 4.5164 7.7047 117.9755 53.8505 42.3412 177.0786 68 E 4.1361 8.5296 122.0819 56.7288 29.4400 176.5839 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 2 P 0.00 4.41 0.00 2.09 1.99 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 3 K 8.39 4.60 0.00 1.75 1.73 0.00 1.63 0.00 0.00 2.04 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.55 7.81 4 H 10.25 5.45 0.00 3.43 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.61 5.23 0.00 1.69 1.74 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 2.20 2.17 0.00 6 F 9.59 5.34 0.00 3.00 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 7 S 8.96 5.18 0.00 3.94 4.01 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 8 V 8.50 4.71 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 0.75 0.00 0.00 0.96 0.00 0.00 9 D 8.81 4.72 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 10 M 8.04 4.60 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 11 T 8.50 4.50 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 1.24 0.00 0.00 12 C 7.66 4.93 0.00 3.06 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 13 G 8.75 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.20 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.95 4.17 0.00 3.16 2.98 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 16 A 7.97 4.04 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 17 E 8.42 3.92 0.00 2.21 2.02 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 2.35 2.51 0.00 18 A 7.90 3.95 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 19 V 7.60 3.40 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 0.84 0.00 0.00 0.95 0.00 0.00 20 S 8.07 3.87 0.00 4.07 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 21 R 8.37 3.91 0.00 1.98 1.94 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 22 V 7.80 3.62 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 0.74 0.00 0.00 0.89 0.00 0.00 23 L 7.74 3.83 0.00 1.00 1.28 0.21 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.05 4.38 0.00 2.86 2.94 0.00 0.00 7.03 8.21 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 25 K 7.83 4.06 0.00 1.88 1.93 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 26 L 7.61 4.03 0.00 1.59 1.80 0.73 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.92 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.62 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.82 4.83 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 0.87 0.00 0.00 1.12 0.00 0.00 30 K 9.19 4.70 0.00 1.81 1.67 0.00 1.57 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.30 7.81 31 Y 8.11 5.66 0.00 3.08 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 32 D 9.28 4.89 0.00 2.78 2.75 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 33 I 8.59 4.74 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.96 0.00 0.00 34 D 9.26 4.62 0.00 2.69 2.58 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 35 L 8.63 3.96 0.00 1.78 1.68 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.32 0.00 2.22 2.18 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 37 N 8.31 4.66 0.00 2.88 2.89 0.00 0.00 7.01 7.61 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 38 K 7.92 3.90 0.00 1.98 2.06 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.40 7.81 39 K 8.06 5.19 0.00 1.72 1.68 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.63 7.81 40 V 9.16 4.89 2.19 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 0.99 0.00 0.00 0.96 0.00 0.00 41 C 9.12 5.31 0.00 3.20 2.89 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 42 I 9.31 5.18 2.13 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.88 1.05 0.00 0.00 43 E 9.54 5.12 0.00 2.05 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 2.27 2.42 0.00 44 S 8.64 4.90 0.00 4.01 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.89 4.30 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 46 H 7.97 4.34 0.00 3.16 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.54 4.34 0.00 4.16 4.01 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 48 M 8.57 3.86 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.06 0.00 49 D 8.05 4.33 0.00 2.70 2.68 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 50 T 7.78 3.81 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 51 L 7.79 3.78 0.00 1.85 1.44 1.09 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.24 3.65 0.00 1.90 1.85 1.07 0.97 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 53 A 7.96 3.93 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 54 T 8.01 3.87 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 1.08 0.00 0.00 55 L 7.74 3.86 0.00 1.55 1.53 0.06 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.19 4.16 0.00 1.93 1.82 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.59 7.81 57 K 7.42 4.01 0.00 1.91 1.82 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.59 7.81 58 T 7.45 3.97 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 1.14 0.00 0.00 59 G 7.67 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 0.00 0.00 0.00 60 K 7.51 4.36 0.00 1.77 1.74 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.38 7.81 61 T 8.28 4.15 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 1.23 0.00 0.00 62 V 8.43 5.05 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 0.88 0.00 0.00 0.94 0.00 0.00 63 S 9.22 4.89 0.00 3.95 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 64 Y 8.61 4.87 0.00 2.82 2.77 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 65 L 8.43 4.14 0.00 1.39 1.51 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 66 G 5.72 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.70 4.52 0.00 1.61 1.56 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.53 4.14 0.00 1.90 1.81 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 2.30 2.35 0.00