NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3203 8.3044 120.3500 54.6238 33.3685 174.6065 2 K 3.7469 8.4662 123.5791 56.2236 32.1353 175.4545 3 R 4.4443 8.1932 126.2496 55.3716 32.4449 175.9581 4 T 4.0751 8.3056 107.9995 63.4659 69.2748 174.7663 5 F 4.4959 8.0990 123.9758 56.9329 38.1572 173.8126 6 Q 4.2174 7.9452 126.4899 52.9549 29.4379 174.2914 7 P 3.7629 0.0000 0.0000 62.1782 32.6655 176.3616 8 S 4.3848 7.7778 108.2697 56.5234 65.6253 177.2802 9 V 3.6368 8.0840 130.0770 64.8485 31.4778 177.8178 10 L 3.9305 8.0069 120.8359 58.0318 41.7485 179.0959 11 K 4.0451 7.9851 117.8162 58.9852 32.0245 179.3101 12 R 4.0117 8.4538 116.9422 59.8870 29.1273 178.8166 13 N 4.4088 8.6462 118.0289 55.5184 38.2607 177.5768 14 R 4.0650 7.7141 118.2761 58.2502 30.2097 178.0943 15 S 4.5401 7.7484 113.7227 59.4188 64.0780 174.5731 16 H 4.8515 8.0866 114.5668 54.9514 30.1665 174.0862 17 G 4.1269 7.8039 108.7568 44.5635 0.0000 174.4411 18 F 4.0610 9.0878 121.3542 61.6144 38.7228 177.7204 19 R 3.8669 8.1488 116.7200 59.1355 29.7600 178.7372 20 A 3.7528 7.8660 119.2087 54.6107 18.7265 179.3356 21 R 3.9307 7.8589 117.7174 59.6883 30.0209 177.7875 22 M 3.9353 7.6201 114.2814 56.1975 31.8457 176.1204 23 A 4.3996 7.1491 119.3907 53.4973 19.8933 178.1951 24 T 4.5638 7.5097 109.5895 59.2828 71.4571 173.7212 25 K 4.0176 8.6031 129.5812 59.9642 32.5177 178.2306 26 N 4.4722 8.1850 116.2913 55.8920 38.5968 177.4527 27 G 4.1813 7.9240 108.0457 47.5841 0.0000 175.5668 28 R 3.8976 8.5258 121.2663 59.0983 30.0549 179.2275 29 Q 4.0204 8.0332 117.7517 58.5785 28.5366 178.6998 30 V 3.5621 7.6798 119.4727 66.2761 31.5063 177.9308 31 L 3.9494 7.7362 117.7768 57.8171 41.3472 179.5275 32 A 3.9548 7.7888 119.9816 55.2336 18.4342 179.5360 33 R 3.8761 7.9609 116.3478 59.7131 30.1727 179.4494 34 R 3.9200 8.1972 117.5344 59.4167 30.0157 179.3967 35 R 3.9208 8.4309 117.9544 59.0379 29.8190 178.7249 36 A 3.9829 8.4285 119.9299 55.2681 18.5742 179.4591 37 K 4.0411 8.4763 115.9593 56.9438 32.4521 176.5444 38 G 3.8382 8.1516 106.4417 46.6007 0.0000 174.1770 39 R 3.9763 8.1271 118.7980 56.2952 30.6984 175.8835 40 A 4.3666 8.4067 124.0569 53.7905 19.7213 178.1788 41 R 4.5941 7.3913 114.1389 53.6021 31.0584 175.3756 42 L 4.0236 8.0793 122.0195 57.8813 42.2998 177.9890 43 T 4.5802 8.0552 104.0194 61.3146 74.5980 174.6385 44 V 3.7155 9.1184 120.4154 63.5201 32.2722 168.9728 45 S 4.3200 7.9406 126.1362 57.5573 65.1743 173.9587 46 K 4.1311 8.7283 125.7667 57.7860 31.9615 177.1893 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 8.30 4.32 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 K 8.47 3.75 0.00 1.84 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 R 8.19 4.44 0.00 1.88 1.93 0.00 3.44 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 4 T 8.31 4.08 4.29 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 1.24 0.00 0.00 5 F 8.10 4.50 0.00 2.97 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 6 Q 7.95 4.22 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 7 P 0.00 3.76 0.00 2.06 1.62 0.00 3.59 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 8 S 7.78 4.38 0.00 3.79 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 3.64 2.10 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 0.93 0.00 0.00 0.98 0.00 0.00 10 L 8.01 3.93 0.00 1.77 1.72 0.93 0.44 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 11 K 7.99 4.05 0.00 1.86 1.83 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.42 7.81 12 R 8.45 4.01 0.00 2.09 2.47 0.00 2.85 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 13 N 8.65 4.41 0.00 2.78 2.95 0.00 0.00 7.14 7.29 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 14 R 7.71 4.07 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 15 S 7.75 4.54 0.00 3.73 3.61 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 16 H 8.09 4.85 0.00 3.09 3.31 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.80 4.13 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 0.00 0.00 0.00 18 F 9.09 4.06 0.00 3.08 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 R 8.15 3.87 0.00 1.94 1.99 0.00 3.26 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.85 0.00 20 A 7.87 3.75 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 3.93 0.00 2.07 1.80 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 22 M 7.62 3.94 0.00 1.65 1.29 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 23 A 7.15 4.40 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 4.56 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 1.27 0.00 0.00 25 K 8.60 4.02 0.00 1.89 1.78 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.63 7.81 26 N 8.18 4.47 0.00 2.79 2.83 0.00 0.00 6.91 7.59 0.00 0.00 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 G 7.92 4.18 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 0.00 0.00 0.00 28 R 8.53 3.90 0.00 2.06 1.97 0.00 3.10 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 29 Q 8.03 4.02 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 30 V 7.68 3.56 2.30 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 1.11 0.00 0.00 0.95 0.00 0.00 31 L 7.74 3.95 0.00 1.91 1.74 0.68 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.79 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 3.88 0.00 2.01 2.02 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 34 R 8.20 3.92 0.00 1.99 2.00 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 35 R 8.43 3.92 0.00 1.97 1.99 0.00 3.17 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 1.68 1.86 0.00 36 A 8.43 3.98 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 37 K 8.48 4.04 0.00 1.79 1.99 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 G 8.15 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.13 3.98 0.00 1.93 1.87 0.00 3.31 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 40 A 8.41 4.37 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.39 4.59 0.00 1.83 1.82 0.00 3.17 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 42 L 8.08 4.02 0.00 1.74 1.87 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.06 4.58 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 1.37 0.00 0.00 44 V 9.12 3.72 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 0.80 0.00 0.00 0.94 0.00 0.00 45 S 7.94 4.32 0.00 3.82 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.73 4.13 0.00 1.71 1.68 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81