NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2758 8.1744 117.3719 63.6195 71.0862 173.1669 4 Q 4.0339 7.7470 123.3708 55.6020 30.0568 174.7025 5 L 4.4421 9.6753 126.1255 53.7874 44.1631 176.8686 6 M 4.1951 8.1765 121.8716 58.3284 31.9106 178.9785 7 G 3.7242 7.6472 106.1410 47.2493 0.0000 175.5384 8 E 4.0133 8.0483 120.6030 59.3575 29.4654 179.7023 9 R 4.0164 7.7885 117.6680 59.0547 30.1522 178.8756 10 I 3.7569 7.9831 119.8227 64.5027 37.1068 178.3691 11 R 4.1460 8.4882 120.5918 58.9055 30.0244 178.3572 12 A 4.0268 8.1414 120.5207 55.2654 18.2333 179.8753 13 R 3.9394 8.2452 116.6392 59.3512 30.2704 179.2751 14 R 3.9395 8.2976 118.6834 59.4134 29.8789 178.7699 15 K 4.0486 8.2445 117.7082 59.1741 32.0367 178.9371 16 K 4.1070 7.7699 119.0734 59.3983 32.2195 178.5896 17 L 4.1297 7.5897 117.9779 55.1184 41.6278 177.3812 18 K 3.9018 7.6422 116.5550 57.2905 29.8786 175.4811 19 I 4.4594 7.5747 110.5608 59.1813 40.1222 175.6753 20 R 4.3368 8.0457 119.9688 55.4133 32.3509 177.7387 21 Q 3.9910 8.5821 119.1507 59.3099 28.6032 179.2730 22 A 3.9574 7.9555 120.9055 55.0522 18.5831 179.3413 23 A 3.9126 7.9216 118.8113 55.1742 18.5194 179.4855 24 L 4.0282 8.1297 118.9872 58.1613 42.1801 179.2475 25 G 3.6807 8.5269 107.3876 47.0771 0.0000 175.2889 26 K 3.9044 8.0457 121.2301 59.6529 32.2398 178.3423 27 M 4.1967 7.7369 117.1751 58.2608 31.9304 178.3730 28 V 4.0304 7.7269 117.2619 63.3705 31.9240 176.6768 29 G 4.0634 9.1897 106.6706 45.4375 0.0000 172.9492 30 V 4.5240 7.4732 111.4210 58.0567 36.0254 175.1105 31 S 4.4664 8.1191 115.9405 57.9217 64.9757 174.6485 32 N 4.1984 8.6055 120.5849 56.3561 36.6370 177.4013 33 V 3.4447 7.6267 119.6372 65.5896 31.5791 177.6710 34 A 3.9999 7.6852 121.8377 54.3919 18.0166 179.4915 35 I 3.1608 6.8656 117.8050 64.4495 37.2013 178.3693 36 S 4.0390 7.9394 113.7396 61.6987 62.0671 176.3139 37 Q 4.0174 8.1494 120.7679 58.6680 28.3918 178.8925 38 W 4.6794 8.1522 121.6419 59.5131 29.2727 178.4083 39 E 4.2991 8.6221 118.7501 59.3342 28.6903 178.7421 40 R 4.3915 8.0125 114.9673 55.4945 30.3084 176.5832 41 S 3.8623 7.8246 113.5984 59.5035 61.0968 173.2309 42 E 4.1134 8.4338 123.9310 58.7821 29.2504 176.2667 43 T 4.8491 7.6984 106.6938 60.0920 72.2547 171.8082 44 E 4.6015 8.3737 120.1639 53.2889 32.5487 174.6362 45 P 4.0040 0.0000 0.0000 62.3381 31.8780 176.6998 46 N 4.7412 8.4777 118.7001 52.1490 39.9093 176.0673 47 G 3.5189 8.4568 105.9414 48.1298 0.0000 175.0865 48 E 3.9443 8.1552 122.0632 59.0241 29.6272 178.6561 49 N 4.4747 9.0769 116.7145 55.8648 38.5139 177.2619 50 L 3.6477 8.1820 122.3318 58.0058 42.1909 179.0006 51 L 3.9302 7.7681 118.4503 57.8055 41.5365 179.3931 52 A 4.0053 8.0388 120.6283 54.9723 18.2236 179.4338 53 L 3.9710 8.3829 119.4924 58.3701 42.1641 179.2794 54 S 4.1315 8.3488 114.5779 61.3932 62.7607 176.6262 55 K 3.9051 8.0886 121.7279 59.2572 31.6649 178.9481 56 A 4.0520 7.9251 119.5497 54.9974 18.3411 178.7283 57 L 4.3480 8.0266 114.1911 53.7030 42.4866 176.5292 58 Q 3.5008 8.0114 117.2556 56.6629 26.6012 172.2493 59 C 4.7575 8.1710 110.7990 55.8494 33.3765 173.7833 60 S 4.6158 8.2899 114.1125 57.0337 65.2688 173.1996 61 P 4.2477 0.0000 0.0000 65.9198 31.0724 178.7438 62 D 4.3325 8.0840 117.3019 57.3476 40.7107 177.8698 63 Y 4.1079 8.0971 119.9932 60.7676 38.3198 178.2632 64 L 3.7509 7.7122 119.5328 57.7982 41.5244 179.6627 65 L 4.0090 7.8053 117.7559 56.7999 41.7353 178.1068 66 K 4.2234 8.0247 113.7406 55.1552 33.6872 172.6213 67 G 3.1925 8.1621 115.3116 45.7170 0.0000 173.5943 68 D 5.0350 9.0737 124.2752 54.4753 40.7920 174.3251 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 T 8.17 4.28 4.23 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 1.21 0.00 0.00 4 Q 7.75 4.03 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 5 L 9.68 4.44 0.00 1.70 1.54 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.18 4.20 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.40 0.00 7 G 7.65 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 8 E 8.05 4.01 0.00 2.17 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 2.34 2.36 0.00 9 R 7.79 4.02 0.00 1.87 1.86 0.00 2.21 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 10 I 7.98 3.76 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 1.08 0.00 0.00 11 R 8.49 4.15 0.00 1.91 1.96 0.00 3.16 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 12 A 8.14 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.25 3.94 0.00 2.07 2.05 0.00 3.33 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 14 R 8.30 3.94 0.00 1.93 2.11 0.00 3.20 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 15 K 8.24 4.05 0.00 1.95 1.88 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.73 1.61 7.81 16 K 7.77 4.11 0.00 1.93 2.03 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 17 L 7.59 4.13 0.00 1.80 1.73 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.64 3.90 0.00 1.96 1.93 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.37 7.81 19 I 7.57 4.46 1.88 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 1.43 0.64 0.92 0.00 0.00 20 R 8.05 4.34 0.00 1.92 1.87 0.00 3.19 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 21 Q 8.58 3.99 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 22 A 7.96 3.96 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 23 A 7.92 3.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 4.03 0.00 1.81 1.84 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.53 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 26 K 8.05 3.90 0.00 1.86 2.01 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 27 M 7.74 4.20 0.00 2.09 2.31 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 2.85 2.57 0.00 28 V 7.73 4.03 2.22 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 1.10 0.00 0.00 1.12 0.00 0.00 29 G 9.19 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.47 4.52 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 1.13 0.00 0.00 0.64 0.00 0.00 31 S 8.12 4.47 0.00 3.96 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 32 N 8.61 4.20 0.00 2.87 3.08 0.00 0.00 5.58 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 33 V 7.63 3.44 1.98 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 1.05 0.00 0.00 0.87 0.00 0.00 34 A 7.69 4.00 0.78 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 35 I 6.87 3.16 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.06 0.91 0.00 0.00 36 S 7.94 4.04 0.00 3.99 3.96 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 37 Q 8.15 4.02 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 38 W 8.15 4.68 0.00 3.50 3.09 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 39 E 8.62 4.30 0.00 2.04 2.05 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 2.42 2.66 0.00 40 R 8.01 4.39 0.00 1.81 1.97 0.00 3.32 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 41 S 7.82 3.86 0.00 4.06 3.96 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 42 E 8.43 4.11 0.00 1.96 2.16 0.00 0.00 0.00 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 43 T 7.70 4.85 4.40 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 0.00 0.00 0.00 1.28 0.00 0.00 44 E 8.37 4.60 0.00 1.87 1.72 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 2.15 2.24 0.00 45 P 0.00 4.00 0.00 1.57 0.49 0.00 3.31 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.00 46 N 8.48 4.74 0.00 3.02 3.06 0.00 0.00 6.03 6.94 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 47 G 8.46 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.94 0.00 2.05 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 2.41 2.43 0.00 49 N 9.08 4.47 0.00 2.78 3.02 0.00 0.00 6.69 6.78 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 50 L 8.18 3.65 0.00 1.55 1.71 0.74 0.48 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 51 L 7.77 3.93 0.00 1.84 1.69 0.91 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 52 A 8.04 4.01 1.42 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 53 L 8.38 3.97 0.00 1.83 1.81 1.15 0.64 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 54 S 8.35 4.13 0.00 4.24 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 0.00 55 K 8.09 3.91 0.00 2.01 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.56 7.81 56 A 7.93 4.05 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.03 4.35 0.00 1.66 1.76 1.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.01 3.50 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 59 C 8.17 4.76 0.00 2.96 2.80 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 60 S 8.29 4.62 0.00 4.09 4.04 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 61 P 0.00 4.25 0.00 2.16 2.10 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 62 D 8.08 4.33 0.00 2.79 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 63 Y 8.10 4.11 0.00 3.10 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 64 L 7.71 3.75 0.00 1.76 1.62 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.81 4.01 0.00 1.69 1.66 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.02 4.22 0.00 1.73 1.80 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.44 7.81 67 G 8.16 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 0.00 0.00 0.00 68 D 9.07 5.03 0.00 2.93 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