NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4348 8.2893 118.1854 54.8398 33.4713 174.8264 2 K 4.0602 7.6413 124.0016 56.5661 35.2387 172.9150 3 P 4.5174 0.0000 0.0000 61.9351 32.8130 177.9846 4 S 4.2636 8.6594 113.9730 60.8960 62.4881 174.8676 5 E 4.4482 7.8916 118.8276 56.9211 30.6706 177.2162 6 M 4.1603 8.5240 119.7643 58.1070 32.6816 178.1078 7 R 4.7631 8.0040 115.2144 58.6536 29.4875 177.2986 8 N 4.4538 7.5988 116.2664 55.0007 39.1607 173.7471 9 L 4.6407 7.7647 119.1856 53.9117 44.1621 176.0715 10 Q 4.3144 8.2782 118.9907 55.4575 30.3295 177.2160 11 A 3.8019 8.2660 122.2519 55.2449 18.3721 179.9134 12 T 4.0053 7.8120 108.1572 64.9712 69.0429 176.6708 13 D 4.4054 8.1525 121.3024 56.9576 40.7479 178.3095 14 F 4.0098 8.3868 117.9552 60.8155 38.4013 177.6655 15 A 4.0704 7.8831 118.9374 54.8341 17.8745 179.5195 16 K 4.8730 7.8586 119.0153 59.2885 32.4516 178.2741 17 E 4.2134 8.6116 115.6755 57.5917 29.8794 177.9420 18 I 4.1680 7.3815 120.7641 63.2108 38.0747 177.0200 19 D 4.5587 9.6060 118.7385 54.9476 39.1455 177.7443 20 A 4.1381 7.7087 122.5195 54.5864 19.3482 179.6025 21 R 3.8093 7.7661 115.8911 59.4988 29.9528 178.9803 22 K 4.1146 7.9738 114.8157 57.6503 32.6412 178.6252 23 K 3.9614 7.9994 121.1945 59.0381 32.2124 178.2079 24 E 3.8785 7.8831 119.1228 59.0199 29.7061 177.8489 25 L 3.7834 8.8581 121.5830 59.0175 41.8668 178.5075 26 M 4.0683 7.7410 116.9525 58.1690 32.1433 177.7062 27 E 3.4896 8.0056 118.0023 59.7983 29.7442 179.6945 28 L 3.9992 8.8376 119.8112 57.8349 41.6774 179.2706 29 R 3.9545 8.6912 118.8339 59.8032 29.8961 178.5436 30 F 4.0602 9.3449 118.6816 60.5010 38.4190 177.1526 31 Q 3.9889 8.5977 117.7006 59.4026 28.4227 179.2106 32 A 4.0002 7.9432 119.4971 55.8153 18.4760 179.4853 33 A 4.0356 7.7551 116.7522 54.5063 18.5198 179.1785 34 A 4.3278 8.2818 119.3940 52.0448 19.2355 176.5391 35 G 3.6995 9.1210 106.5439 46.6987 0.0000 173.0699 36 Q 5.4602 8.0893 135.0000 56.1415 29.9447 172.1633 37 L 3.9360 7.8736 119.5088 56.1167 41.0443 175.8767 38 A 4.5692 8.3269 125.6338 51.8210 20.8210 176.8804 39 Q 4.7460 7.5167 115.0314 53.7101 28.8003 174.8809 40 P 4.2719 0.0000 0.0000 66.3164 32.3699 179.1391 41 H 4.1297 8.3464 113.7580 58.4331 28.5000 177.0210 42 R 3.6991 8.2031 121.5089 60.2719 29.8084 177.6905 43 V 3.3519 8.1653 115.0964 66.4125 31.1980 177.8634 44 R 3.8613 7.9148 116.3804 59.4568 30.1617 178.5203 45 Q 3.8946 8.4988 119.3546 59.2197 29.0984 177.9638 46 L 4.2340 7.8964 119.9444 59.0154 41.9156 179.0795 47 R 3.7513 8.2348 115.7954 59.3560 29.9641 178.5322 48 R 3.8501 8.5244 118.5940 60.0311 30.4605 178.6703 49 E 4.1132 9.0309 120.4771 58.8747 29.2946 179.1460 50 V 3.5264 7.9021 116.8529 66.1944 31.7643 177.2998 51 A 4.1229 7.7766 119.6203 55.6141 18.3196 179.3458 52 Q 3.9871 7.8940 115.4001 59.2280 28.6340 179.4999 53 L 4.0261 8.0127 114.8535 55.8017 41.6177 177.0928 54 N 5.0030 8.5974 116.3635 54.5404 42.9957 176.6526 55 T 3.9141 8.5503 113.9986 66.8854 68.7341 176.3815 56 V 4.6495 7.7322 120.4615 65.7723 31.3006 177.5610 57 K 3.6926 8.6023 118.6960 59.7008 31.3753 177.7985 58 A 4.2171 8.7038 120.0718 53.9998 18.4085 179.1308 59 E 4.0766 8.7385 117.7697 58.9579 29.6492 178.9486 60 L 4.0802 7.5976 117.9327 56.9073 41.5511 178.5701 61 A 4.2564 7.4411 118.4276 53.8079 18.6122 177.9436 62 R 4.3220 7.7348 114.0973 55.9840 32.5558 175.3669 63 K 4.2384 8.7566 117.4483 58.4135 31.1955 174.2516 64 G 3.2732 8.2370 114.6112 44.2823 0.0000 171.1618 65 E 4.7526 8.1180 126.0355 54.7725 32.8070 176.1105 66 Q 4.0041 8.0834 121.8697 56.5748 29.3689 173.1039 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 M 8.29 4.43 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 2 K 7.64 4.06 0.00 1.90 1.88 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.14 1.51 7.81 3 P 0.00 4.52 0.00 2.20 2.06 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 4 S 8.66 4.26 0.00 3.87 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 5 E 7.89 4.45 0.00 1.94 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 0.00 2.24 2.28 0.00 6 M 8.52 4.16 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 7 R 8.00 4.76 0.00 2.25 2.39 0.00 3.18 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 8 N 7.60 4.45 0.00 2.96 3.03 0.00 0.00 7.09 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 9 L 7.76 4.64 0.00 2.04 1.77 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.28 4.31 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 11 A 8.27 3.80 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 12 T 7.81 4.01 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 1.21 0.00 0.00 13 D 8.15 4.41 0.00 3.10 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 4.01 0.00 3.24 3.16 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 0.00 0.00 0.00 15 A 7.88 4.07 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 16 K 7.86 4.87 0.00 1.82 2.08 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.35 7.81 17 E 8.61 4.21 0.00 1.95 1.88 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 2.54 2.38 0.00 18 I 7.38 4.17 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.32 0.92 0.00 0.00 19 D 9.61 4.56 0.00 2.87 2.92 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 20 A 7.71 4.14 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 21 R 7.77 3.81 0.00 1.90 1.96 0.00 3.15 0.00 0.00 3.58 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 22 K 7.97 4.11 0.00 1.80 1.83 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.42 7.81 23 K 8.00 3.96 0.00 1.93 2.07 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.37 7.81 24 E 7.88 3.88 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 2.36 2.34 0.00 25 L 8.86 3.78 0.00 1.73 1.76 0.93 0.84 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 26 M 7.74 4.07 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.80 0.00 27 E 8.01 3.49 0.00 2.13 1.97 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 2.36 2.45 0.00 28 L 8.84 4.00 0.00 1.80 1.72 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.69 3.95 0.00 2.00 2.26 0.00 3.15 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 30 F 9.34 4.06 0.00 3.15 3.12 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 31 Q 8.60 3.99 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.83 0.00 32 A 7.94 4.00 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 33 A 7.76 4.04 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 34 A 8.28 4.33 1.36 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 0.00 0.00 0.00 35 G 9.12 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 0.00 0.00 0.00 36 Q 8.09 5.46 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.11 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 37 L 7.87 3.94 0.00 1.66 1.65 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.33 4.57 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.52 4.75 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 40 P 0.00 4.27 0.00 2.17 2.14 0.00 3.56 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 2.12 2.12 0.00 41 H 8.35 4.13 0.00 3.36 3.53 0.00 5.51 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.20 3.70 0.00 1.97 2.11 0.00 3.11 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 43 V 8.17 3.35 2.20 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 1.03 0.00 0.00 1.00 0.00 0.00 44 R 7.91 3.86 0.00 1.92 1.99 0.00 3.20 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 45 Q 8.50 3.89 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 46 L 7.90 4.23 0.00 1.85 1.72 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.23 3.75 0.00 2.04 1.86 0.00 3.33 0.00 0.00 3.10 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 48 R 8.52 3.85 0.00 1.84 2.11 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 49 E 9.03 4.11 0.00 2.08 1.93 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 2.28 2.30 0.00 50 V 7.90 3.53 2.21 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 0.80 0.00 0.00 1.02 0.00 0.00 51 A 7.78 4.12 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 52 Q 7.89 3.99 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.71 0.00 53 L 8.01 4.03 0.00 1.64 1.60 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.60 5.00 0.00 2.80 2.80 0.00 0.00 6.98 6.73 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 55 T 8.55 3.91 4.27 0.00 0.00 0.00 0.00 0.00 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 56 V 7.73 4.65 2.36 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 1.42 0.00 0.00 1.09 0.00 0.00 57 K 8.60 3.69 0.00 2.23 2.15 0.00 1.89 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.43 7.81 58 A 8.70 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.74 4.08 0.00 2.16 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 2.75 0.00 60 L 7.60 4.08 0.00 1.78 1.63 0.64 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.44 4.26 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.73 4.32 0.00 1.90 1.93 0.00 3.11 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 63 K 8.76 4.24 0.00 1.67 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.51 7.81 64 G 8.24 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 4.75 0.00 1.87 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 2.04 2.16 0.00 66 Q 8.08 4.00 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.32 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00