NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3594 8.2393 119.0727 55.1392 31.0864 175.2498 4 P 4.3290 0.0000 0.0000 60.7889 31.9978 174.0741 5 K 4.6387 8.9777 121.4939 54.6540 35.8017 177.4655 6 K 4.3408 9.2505 126.5828 54.9293 32.8586 175.2187 7 P 4.3642 0.0000 0.0000 63.6155 31.7644 176.2459 8 G 4.1245 8.9102 105.3855 45.3152 0.0000 172.8508 9 L 4.6267 8.6054 119.0428 53.0488 43.3595 176.0253 10 C 4.7528 8.4035 119.3182 55.8812 41.0063 172.1988 11 P 4.6516 0.0000 0.0000 61.3264 31.9657 174.2469 12 P 4.5539 0.0000 0.0000 62.9957 31.9028 175.9420 13 R 4.4800 7.9542 118.9745 53.4037 34.0762 173.2272 14 P 4.3694 0.0000 0.0000 62.6959 32.0334 176.4962 15 Q 4.0960 8.6459 121.2898 58.2434 29.3396 176.3250 16 K 4.7584 7.5479 115.0784 53.3446 34.8202 174.0587 17 P 4.4301 0.0000 0.0000 62.7294 31.9827 176.7890 18 C 4.7076 8.5684 118.7100 57.2007 40.0994 173.2854 19 V 4.6111 8.1904 121.0991 60.5732 34.6223 173.0737 20 K 4.8701 8.5619 120.9530 55.1838 33.8564 175.7824 21 E 4.5442 9.3394 125.7795 57.2559 30.3105 174.2166 22 C 4.8528 7.8161 111.3535 54.6963 44.1686 173.7610 23 K 4.2190 8.7381 120.5875 58.1532 32.7470 176.2219 24 N 5.0001 7.8656 113.6675 51.3144 40.7065 174.7742 25 D 4.4774 8.6911 117.1684 57.6143 40.8687 178.6644 26 D 4.5642 7.9740 116.9801 56.3228 40.9556 177.7751 27 S 4.2582 8.1054 115.1000 60.6835 63.0625 173.7994 28 C 4.8382 7.7097 117.3593 54.4182 42.7333 171.8474 29 P 4.5776 0.0000 0.0000 63.4860 32.8145 177.5336 30 G 3.6838 8.1183 108.7389 47.5829 0.0000 175.3781 31 Q 4.3546 8.7925 123.1588 56.2597 29.0176 175.8256 32 Q 4.4138 7.9623 117.9900 56.0156 29.4594 175.9162 33 K 4.6102 8.8348 121.8595 55.0472 35.0976 175.2952 34 C 4.8954 9.2821 124.6490 56.1063 43.9838 171.5463 35 C 4.7635 9.1630 124.8612 55.1877 41.8389 172.6109 36 N 5.1960 8.3389 122.6369 52.4038 39.8664 174.1969 37 Y 4.8473 9.0060 124.0446 58.0284 41.0685 176.3416 38 G 4.1426 9.0954 111.5933 44.7481 0.0000 174.0619 39 C 4.4475 6.4500 120.1747 56.4365 41.7090 173.7833 40 K 4.9840 7.9404 122.5604 54.7457 34.6378 174.1736 41 D 5.4905 8.8622 126.5952 52.5886 43.5879 174.7108 42 E 5.1087 9.2729 124.3627 54.3533 33.4248 173.8857 43 C 5.1164 9.2941 124.5864 57.1806 41.9129 173.4091 44 R 4.8767 9.0547 121.6405 54.2169 34.6231 174.3677 45 D 4.7400 8.7119 122.4036 53.9563 41.3780 174.6525 46 P 4.6076 0.0000 0.0000 62.5078 33.1737 175.1484 47 I 4.1582 8.5080 121.8263 59.8008 38.9714 174.7377 48 F 5.2192 8.4135 125.5752 55.9685 40.9194 176.7415 49 V 4.0842 8.7068 124.2236 61.1629 30.1315 175.8340 50 G 3.7783 8.2358 112.5828 45.0355 0.0000 170.8158 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 3 R 8.24 4.36 0.00 1.85 1.81 0.00 3.24 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 4 P 0.00 4.33 0.00 2.25 2.08 0.00 3.68 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 1.99 2.01 0.00 5 K 8.98 4.64 0.00 1.67 1.67 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.44 7.81 6 K 9.25 4.34 0.00 1.89 1.79 0.00 1.93 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.40 7.81 7 P 0.00 4.36 0.00 2.25 2.07 0.00 3.79 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 2.01 1.95 0.00 8 G 8.91 4.12 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 0.00 9 L 8.61 4.63 0.00 1.65 1.57 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.40 4.75 0.00 2.91 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 11 P 0.00 4.65 0.00 2.18 2.03 0.00 3.87 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 2.06 1.96 0.00 12 P 0.00 4.55 0.00 2.20 2.12 0.00 3.72 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 1.98 1.99 0.00 13 R 7.95 4.48 0.00 0.67 1.15 0.00 3.18 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 0.00 14 P 0.00 4.37 0.00 2.27 1.99 0.00 3.55 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 15 Q 8.65 4.10 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 16 K 7.55 4.76 0.00 1.74 1.67 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.39 7.81 17 P 0.00 4.43 0.00 2.17 2.04 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 18 C 8.57 4.71 0.00 2.89 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 19 V 8.19 4.61 2.09 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 0.71 0.00 0.00 0.94 0.00 0.00 20 K 8.56 4.87 0.00 1.62 1.77 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 21 E 9.34 4.54 0.00 1.83 2.01 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 2.30 2.26 0.00 22 C 7.82 4.85 0.00 3.03 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 23 K 8.74 4.22 0.00 1.76 1.89 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.41 7.81 24 N 7.87 5.00 0.00 2.93 2.88 0.00 0.00 7.06 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 25 D 8.69 4.48 0.00 2.77 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 26 D 7.97 4.56 0.00 2.84 2.73 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 27 S 8.11 4.26 0.00 3.98 3.93 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 28 C 7.71 4.84 0.00 3.28 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 29 P 0.00 4.58 0.00 2.23 2.18 0.00 3.98 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 2.20 1.97 0.00 30 G 8.12 3.68 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 0.00 0.00 0.00 31 Q 8.79 4.35 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 32 Q 7.96 4.41 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 33 K 8.83 4.61 0.00 1.69 1.78 0.00 1.88 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.37 7.81 34 C 9.28 4.90 0.00 3.06 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 35 C 9.16 4.76 0.00 3.13 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 36 N 8.34 5.20 0.00 2.73 2.55 0.00 0.00 6.94 7.54 0.00 0.00 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 Y 9.01 4.85 0.00 2.92 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 38 G 9.10 4.14 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 0.00 39 C 6.45 4.45 0.00 3.13 3.24 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 40 K 7.94 4.98 0.00 1.89 1.80 0.00 1.68 0.00 0.00 2.02 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.69 7.81 41 D 8.86 5.49 0.00 2.67 2.55 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 0.00 0.00 0.00 0.00 42 E 9.27 5.11 0.00 2.09 1.94 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 2.24 2.41 0.00 43 C 9.29 5.12 0.00 2.91 3.21 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 44 R 9.05 4.88 0.00 1.70 1.77 0.00 3.28 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.93 0.00 45 D 8.71 4.74 0.00 2.51 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.61 0.00 1.42 1.90 0.00 3.62 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 1.34 2.09 0.00 47 I 8.51 4.16 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.51 0.88 0.00 0.00 48 F 8.41 5.22 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.71 4.08 2.13 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 0.82 0.00 0.00 0.97 0.00 0.00 50 G 8.24 3.78 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 0.00 0.00 0.00