NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6086 8.3493 120.5301 53.8728 42.9687 174.2063 2 S 4.3611 8.0613 112.1265 56.9771 66.0534 174.5935 3 L 4.0427 6.8833 114.4950 53.7752 45.9836 177.4001 4 G 3.5656 9.4909 104.5452 47.0641 0.0000 171.5620 5 R 3.9024 8.6318 126.1362 56.7295 29.7043 175.0429 6 E 4.3359 8.3410 125.5561 55.0830 30.7343 175.1800 7 A 4.5015 8.2311 128.1143 51.1197 19.9646 176.8044 8 K 4.4391 8.4015 121.5109 54.8137 34.2735 175.6164 9 C 4.5121 8.2064 119.2169 55.6181 42.5462 172.3331 10 Y 4.7268 8.0841 118.0257 56.7109 38.8584 175.7144 11 N 4.5845 8.7801 123.4825 55.9165 39.5987 176.1066 12 E 4.3516 8.2230 114.3795 57.1028 29.5871 176.1107 13 L 4.8848 7.7327 120.7166 53.4748 45.0794 175.6245 14 N 5.3331 8.8802 121.8590 53.0834 39.5079 173.9047 15 G 4.0139 7.9403 106.0109 43.8878 0.0000 172.8787 16 C 5.2819 8.0903 115.3891 54.9142 43.4114 174.3903 17 T 4.2060 8.5621 111.6074 61.7798 69.4083 173.7195 18 Y 5.0560 8.3278 119.9728 58.2235 38.1277 175.7303 19 E 4.2742 8.1926 117.6841 56.1616 30.6139 176.0627 20 Y 4.7107 8.3928 122.4193 56.6854 38.4600 175.0645 21 R 4.6588 8.4147 127.3634 52.4947 30.4790 172.7153 22 P 5.2301 0.0000 0.0000 62.8544 32.3632 177.3101 23 V 4.4773 8.1268 112.9596 59.9442 36.5193 174.7074 24 C 4.8904 9.1987 125.8185 55.2984 45.5789 173.3592 25 G 4.3472 9.5430 114.9681 45.8082 0.0000 174.1676 26 T 4.2068 8.8946 111.3823 63.1343 68.7820 175.0646 27 D 4.4445 7.9965 121.2923 54.3546 40.1565 177.3455 28 G 4.0505 8.4812 107.8661 45.0555 0.0000 172.4546 29 D 5.0839 8.4960 118.7419 52.4053 44.2383 175.3989 30 T 4.8429 8.2832 117.9755 63.1541 69.8371 173.7247 31 Y 4.6441 8.8747 123.9777 55.4428 40.4154 175.3290 32 P 4.3187 0.0000 0.0000 65.6730 31.9704 175.3303 33 N 5.6183 7.4433 115.1506 52.2325 40.7617 174.5696 34 E 3.9439 8.4158 119.7588 59.3121 29.7549 178.7717 35 C 4.4884 8.1284 119.4861 58.9045 40.1386 175.5616 36 V 3.7058 7.7607 119.1549 65.9049 31.1738 177.7741 37 L 3.5839 7.4423 119.4882 58.0056 41.7904 178.0467 38 C 4.0816 8.0629 118.4100 59.8629 39.9924 175.7188 39 F 3.4474 8.6951 119.4828 60.2370 38.4117 177.2998 40 E 4.2651 8.2515 118.1444 58.7141 29.3068 178.8546 41 N 4.8522 7.9495 118.2742 55.8980 38.3967 177.2877 42 R 3.8469 7.7639 118.4769 59.2739 30.2584 178.4221 43 K 4.1533 7.9943 117.2531 59.7369 32.7919 178.2464 44 R 4.1409 7.9640 116.2646 55.8018 30.8894 175.9156 45 Q 3.4347 7.9132 116.8634 57.4203 26.6471 171.8455 46 T 4.6799 7.1823 107.1990 60.0703 71.9880 174.1933 47 S 4.6156 8.1074 113.1692 57.5230 63.0468 173.6519 48 I 3.6636 8.0868 118.2773 61.6814 37.5065 175.1681 49 L 4.7503 9.3533 124.3669 53.0182 45.6082 174.9268 50 I 4.3546 8.8155 122.2639 60.4880 37.0629 176.2645 51 Q 4.2057 9.3423 128.4276 58.0600 28.1817 176.8367 52 K 4.7030 7.5973 116.6464 55.0455 36.6203 175.3846 53 S 4.3937 8.7002 116.4620 58.9603 63.0921 174.2540 54 G 3.9749 8.1452 112.2718 43.8161 0.0000 171.8027 55 P 4.4297 0.0000 0.0000 62.4173 31.9118 177.7133 56 C 4.5031 8.2423 117.0700 57.4788 41.0664 173.8725 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 D 8.35 4.61 0.00 2.66 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.06 4.36 0.00 3.99 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 6.88 4.04 0.00 1.80 1.35 0.91 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 G 9.49 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.63 3.90 0.00 1.92 2.17 0.00 3.14 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 6 E 8.34 4.34 0.00 1.91 1.76 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 2.18 2.22 0.00 7 A 8.23 4.50 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.40 4.44 0.00 1.64 1.60 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.53 7.81 9 C 8.21 4.51 0.00 2.79 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 10 Y 8.08 4.73 0.00 2.99 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 11 N 8.78 4.58 0.00 2.75 2.82 0.00 0.00 7.21 7.65 0.00 0.00 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 E 8.22 4.35 0.00 2.04 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 2.26 0.00 13 L 7.73 4.88 0.00 1.53 1.63 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.88 5.33 0.00 2.77 2.89 0.00 0.00 6.70 7.65 0.00 0.00 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 G 7.94 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 0.00 0.00 0.00 16 C 8.09 5.28 0.00 2.89 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 17 T 8.56 4.21 4.32 0.00 0.00 0.00 0.00 0.00 0.00 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 18 Y 8.33 5.06 0.00 3.00 2.87 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 19 E 8.19 4.27 0.00 2.16 2.04 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 2.39 2.37 0.00 20 Y 8.39 4.71 0.00 2.90 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 21 R 8.41 4.66 0.00 1.72 1.74 0.00 3.22 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 1.54 1.57 0.00 22 P 0.00 5.23 0.00 1.92 1.73 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.21 0.00 23 V 8.13 4.48 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 0.72 0.00 0.00 0.92 0.00 0.00 24 C 9.20 4.89 0.00 3.16 3.10 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 0.00 0.00 0.00 0.00 25 G 9.54 4.35 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 0.00 26 T 8.89 4.21 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 1.20 0.00 0.00 27 D 8.00 4.44 0.00 2.87 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 28 G 8.48 4.05 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 29 D 8.50 5.08 0.00 3.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.28 4.84 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 1.22 0.00 0.00 31 Y 8.87 4.64 0.00 2.90 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 32 P 0.00 4.32 0.00 2.30 2.35 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 33 N 7.44 5.62 0.00 2.94 2.96 0.00 0.00 6.38 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 34 E 8.42 3.94 0.00 2.01 1.90 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 2.46 2.27 0.00 35 C 8.13 4.49 0.00 2.80 3.20 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 0.00 36 V 7.76 3.71 2.40 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 1.15 0.00 0.00 1.12 0.00 0.00 37 L 7.44 3.58 0.00 1.16 1.37 -0.11 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.06 4.08 0.00 3.04 3.13 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 0.00 0.00 0.00 0.00 39 F 8.70 3.45 0.00 3.35 3.18 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 0.00 0.00 0.00 0.00 40 E 8.25 4.27 0.00 2.30 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 2.65 2.77 0.00 41 N 7.95 4.85 0.00 2.79 2.88 0.00 0.00 7.01 7.40 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 42 R 7.76 3.85 0.00 1.63 1.86 0.00 2.34 0.00 0.00 2.84 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.00 43 K 7.99 4.15 0.00 1.96 2.06 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.52 1.47 7.81 44 R 7.96 4.14 0.00 1.87 2.04 0.00 3.36 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 45 Q 7.91 3.43 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 46 T 7.18 4.68 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 1.26 0.00 0.00 47 S 8.11 4.62 0.00 3.75 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 48 I 8.09 3.66 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.83 0.00 0.00 49 L 9.35 4.75 0.00 1.40 1.71 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.82 4.35 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.43 0.88 0.00 0.00 51 Q 9.34 4.21 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 52 K 7.60 4.70 0.00 1.76 1.84 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 53 S 8.70 4.39 0.00 3.84 3.80 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 0.00 0.00 0.00 0.00 54 G 8.15 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 P 0.00 4.43 0.00 2.08 2.03 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 56 C 8.24 4.50 0.00 2.95 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