NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2072 8.2649 123.5560 51.0736 19.8480 176.5104 2 P 4.3119 0.0000 0.0000 61.4861 32.4988 176.1183 3 D 4.3829 8.7012 119.2142 57.8233 41.5616 178.6799 4 F 4.1159 8.4372 114.5756 60.6907 37.2721 178.0309 5 C 4.3703 7.2310 115.6762 59.4591 39.9747 175.3391 6 L 4.1291 8.3687 119.5558 54.9820 41.7999 176.8328 7 E 4.0805 8.0100 121.4086 54.9574 30.0613 174.7961 8 P 4.3748 0.0000 0.0000 61.7461 31.9124 174.2572 9 P 3.5427 0.0000 0.0000 62.8366 31.2836 175.3633 10 Y 4.6020 7.8450 120.8442 55.9220 40.1604 174.7308 11 D 4.7021 8.4217 128.0741 53.6894 40.3697 177.7021 12 G 3.7957 6.8512 107.2536 43.9229 0.0000 170.9773 13 P 4.4405 0.0000 0.0000 63.7443 32.1876 177.3613 14 C 4.4952 7.8624 117.4760 57.1989 40.7285 173.8201 15 R 4.3601 8.2579 120.6001 55.9539 30.6782 175.7700 16 A 4.5107 7.6103 118.7705 50.6939 22.0908 177.2851 17 L 4.6150 8.1393 119.6212 53.3045 41.4732 174.0948 18 H 4.7813 9.1064 119.6886 53.7645 30.5455 174.0367 19 L 4.0581 8.7884 126.8824 55.1095 42.5625 175.8278 20 R 5.0452 8.6393 125.2800 54.7221 34.5836 173.9665 21 Y 5.4852 10.3264 117.7653 56.7590 40.6266 175.3908 22 F 5.7032 9.7937 116.4128 55.9154 42.2862 172.3228 23 Y 4.6835 9.5461 121.8420 56.3621 40.4490 174.0001 24 N 4.7237 8.7723 127.4723 52.1913 39.1899 175.5542 25 A 3.5284 8.4138 129.6297 55.2049 18.9972 179.5169 26 K 3.7858 7.9887 113.3437 59.5138 32.1544 177.8119 27 A 4.1201 7.7208 119.0021 51.8368 19.6849 176.9101 28 G 4.4169 7.8238 104.6216 45.1253 0.0000 172.9013 29 L 4.6430 7.4429 116.3384 54.8631 44.3849 174.4654 30 C 5.0756 8.8931 118.3161 56.9768 39.7784 172.6595 31 Q 4.5594 9.4677 120.1168 55.4520 32.2342 173.1592 32 T 5.6219 8.3540 109.3174 59.8526 71.3102 173.2886 33 F 4.8552 8.3292 116.3682 56.3460 42.0287 171.9350 34 Y 4.6511 8.2004 116.2837 56.2969 38.8923 175.2804 35 Y 4.3959 9.3906 127.3225 56.7380 40.1582 176.6416 36 G 3.9425 8.7150 114.1035 47.0756 0.0000 174.8739 37 G 3.7211 5.9034 107.7476 44.7629 0.0000 172.1449 38 C 4.9075 7.3254 110.4013 56.2714 43.7525 173.2504 39 L 3.7440 8.9731 119.5670 55.6491 38.4719 174.7637 40 A 4.1686 8.4840 120.4745 52.6715 18.6402 178.6264 41 K 4.3235 8.2928 121.1238 54.8515 33.9457 177.2494 42 R 3.5173 8.0527 118.0841 59.1089 30.1165 177.4908 43 N 5.0673 7.7771 117.6791 51.3210 36.9655 172.9364 44 N 4.9590 6.5583 115.2362 52.7010 41.7208 173.2602 45 F 5.1019 10.0986 125.7642 55.5583 42.9414 176.4562 46 E 4.2218 9.2259 120.1705 59.3489 30.0092 178.0082 47 S 3.7393 7.8276 110.9184 55.4806 66.3946 175.1562 48 A 3.7615 7.1768 125.4099 55.5398 17.8922 179.3717 49 E 3.7614 7.9755 116.8349 59.8395 29.5917 178.4345 50 D 4.3096 7.5194 116.2967 56.1686 41.2500 177.4456 51 C 2.4500 7.4708 118.9037 59.4253 43.4062 175.2982 52 M 3.6526 9.0219 118.9458 58.0586 31.5462 178.3434 53 R 3.9341 7.5689 118.1750 60.0049 30.3585 178.4962 54 T 4.0481 7.8190 114.3172 65.8871 68.5540 173.9747 55 C 4.1530 8.3632 122.7959 56.8151 42.0290 173.6402 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 A 8.26 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.31 0.00 1.99 2.02 0.00 3.15 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 3 D 8.70 4.38 0.00 2.72 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 4 F 8.44 4.12 0.00 3.21 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.23 4.37 0.00 2.91 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.37 4.13 0.00 1.62 1.77 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.01 4.08 0.00 1.94 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 2.35 2.32 0.00 8 P 0.00 4.37 0.00 2.15 2.02 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 9 P 0.00 3.54 0.00 0.95 0.49 0.00 3.35 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.00 10 Y 7.84 4.60 0.00 2.83 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 11 D 8.42 4.70 0.00 3.10 3.23 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 0.00 0.00 0.00 0.00 12 G 6.85 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 0.00 0.00 0.00 13 P 0.00 4.44 0.00 2.18 2.18 0.00 3.95 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.86 4.50 0.00 2.79 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 15 R 8.26 4.36 0.00 1.70 1.84 0.00 3.15 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 16 A 7.61 4.51 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 17 L 8.14 4.62 0.00 1.32 1.23 0.63 0.49 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 18 H 9.11 4.78 0.00 3.31 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.79 4.06 0.00 1.68 1.67 0.57 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.64 5.05 0.00 1.27 2.16 0.00 3.48 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.85 0.00 21 Y 10.33 5.49 0.00 3.17 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 22 F 9.79 5.70 0.00 3.20 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 23 Y 9.55 4.68 0.00 3.05 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 24 N 8.77 4.72 0.00 2.29 2.47 0.00 0.00 6.65 8.03 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 25 A 8.41 3.53 1.32 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 0.00 0.00 26 K 7.99 3.79 0.00 1.69 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.42 7.81 27 A 7.72 4.12 1.20 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 0.00 0.00 28 G 7.82 4.42 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 0.00 29 L 7.44 4.64 0.00 1.68 1.73 0.70 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.89 5.08 0.00 2.93 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 31 Q 9.47 4.56 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 1.86 1.41 0.00 32 T 8.35 5.62 3.86 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 -0.08 0.00 0.00 33 F 8.33 4.86 0.00 3.02 3.08 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 34 Y 8.20 4.65 0.00 2.92 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 35 Y 9.39 4.40 0.00 2.58 2.76 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 36 G 8.71 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 0.00 0.00 0.00 0.00 37 G 5.90 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.33 4.91 0.00 3.07 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 39 L 8.97 3.74 0.00 2.07 2.07 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.48 4.17 0.70 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 41 K 8.29 4.32 0.00 1.68 1.66 0.00 0.91 0.00 0.00 0.65 0.00 0.00 2.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.18 1.20 7.81 42 R 8.05 3.52 0.00 1.25 0.66 0.00 2.92 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.11 0.00 43 N 7.78 5.07 0.00 3.37 2.95 0.00 0.00 6.72 7.79 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 44 N 6.56 4.96 0.00 2.79 2.68 0.00 0.00 7.08 7.02 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 45 F 10.10 5.10 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.23 4.22 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 47 S 7.83 3.74 0.00 3.68 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.18 3.76 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 49 E 7.98 3.76 0.00 1.99 1.87 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 2.33 2.40 0.00 50 D 7.52 4.31 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.47 2.45 0.00 2.71 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 52 M 9.02 3.65 0.00 1.93 2.18 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 53 R 7.57 3.93 0.00 1.99 2.02 0.00 3.25 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 54 T 7.82 4.05 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 1.55 0.00 0.00 55 C 8.36 4.15 0.00 2.12 1.89 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