NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5297 8.3049 120.3269 54.9367 33.8137 175.4187 2 K 4.3831 7.7429 118.0866 57.6025 37.4574 177.6604 3 A 4.0667 8.1092 120.0586 54.4579 19.7541 178.6078 4 K 4.0891 8.1588 116.5727 59.7754 32.6509 178.0231 5 E 4.0215 8.3026 116.4002 59.2399 29.5866 177.2310 6 L 3.6221 7.5931 118.3120 56.5378 42.3317 176.0014 7 R 3.7548 8.7247 127.0154 56.2968 27.2543 175.3938 8 E 4.4883 8.2290 116.1917 56.0672 31.6197 173.5613 9 K 4.2494 8.2606 119.3115 57.0390 32.6220 176.8042 10 S 4.4986 8.4857 119.4432 59.4042 62.9514 175.9254 11 V 4.0315 7.4198 120.9062 64.9256 32.0537 176.8301 12 E 3.9619 8.1641 117.8562 59.9143 29.3614 179.1690 13 E 3.9327 8.1587 118.7115 59.0375 29.7152 178.3417 14 L 4.0723 7.7172 119.3104 57.3335 41.9418 178.4195 15 N 4.4394 8.2785 116.6449 56.1060 38.6224 177.2376 16 T 3.8323 7.8785 116.5883 67.3270 68.6160 175.3479 17 E 3.7167 8.0984 119.5299 60.2245 29.5671 178.6417 18 L 3.9802 8.3770 119.7952 58.2027 42.2227 179.6436 19 L 4.0108 8.2974 119.3573 58.2521 41.6221 178.2256 20 N 4.1453 9.3251 116.1992 56.9336 38.2110 176.7929 21 L 3.9661 7.8740 120.9002 57.9091 42.2650 178.6364 22 L 3.6842 8.5761 116.3162 59.0082 43.6352 180.3974 23 R 4.1968 7.6406 115.6107 57.4567 29.3036 178.9993 24 E 3.3949 8.6116 123.4806 60.6206 30.7422 177.9226 25 Q 4.1136 8.7287 125.0908 57.8818 29.8077 177.1330 26 F 4.5841 8.2949 120.2452 60.8547 40.5098 177.0753 27 N 4.2767 8.1938 115.4286 56.2502 38.4879 176.8845 28 L 4.1577 8.1549 120.9114 58.0449 41.7129 179.5753 29 R 3.7429 7.8242 117.4502 59.7371 29.8334 177.9342 30 M 3.7790 7.7534 117.2707 58.4524 32.3377 178.3693 31 Q 4.0354 8.9082 120.1527 59.1729 29.0681 178.1725 32 A 3.9300 8.2781 120.3588 55.1781 18.5628 179.3257 33 A 4.1029 8.2111 118.3561 54.1196 18.7751 178.2466 34 S 4.6275 7.9156 113.1496 58.8201 64.5154 176.8373 35 G 4.1054 8.2859 111.9962 47.1641 0.0000 175.5016 36 Q 4.2256 7.5212 123.0966 54.6872 28.6431 173.5342 37 L 3.5741 8.5388 132.2906 56.1269 41.4138 174.7010 38 Q 4.0631 8.8247 125.2480 58.2046 29.0541 176.7970 39 Q 4.4835 7.7033 118.4605 54.1481 28.2368 175.0291 40 S 4.2429 8.5039 121.1958 61.6075 63.3527 176.4062 41 H 4.1401 8.4416 115.2918 57.5755 27.3421 175.6101 42 L 3.8262 7.6830 121.6058 56.4021 42.2055 180.6613 43 L 3.5027 7.0110 117.5436 57.6663 42.2587 178.7350 44 K 3.6536 7.8177 118.9224 60.1705 32.4417 176.7602 45 Q 4.2686 7.5039 117.3982 57.1541 28.9315 174.6805 46 V 3.5665 7.8498 121.3750 63.0320 31.3347 173.0092 47 R 3.8693 8.3450 118.0429 60.0300 30.0461 179.1718 48 R 4.0011 8.1952 117.3632 58.9730 30.0459 178.6804 49 D 4.2922 8.0476 118.2415 57.4061 40.9520 178.4408 50 V 3.5337 8.2940 118.8529 66.2363 31.3052 177.5805 51 A 4.0028 7.5774 119.7789 55.4924 18.1752 179.8859 52 R 3.8293 7.7743 115.9519 59.4816 29.9606 179.2658 53 V 3.6640 7.8036 116.9722 66.1414 31.6635 177.7498 54 K 4.1994 8.2717 117.7791 59.0329 30.7003 179.3441 55 T 3.7989 8.0699 116.4043 65.7623 68.6268 174.6531 56 L 4.1422 7.5319 120.2617 56.0591 42.5715 175.9400 57 L 4.1605 9.0421 122.8608 54.9184 41.4213 174.6839 58 N 4.9306 7.6415 114.2149 52.9246 38.7174 174.8376 59 E 4.6821 7.6627 113.0464 55.7333 32.4512 176.6506 60 K 3.9567 8.3461 120.0096 58.7877 32.6638 176.7001 61 A 4.4486 7.6969 120.7714 51.7117 20.2055 178.6658 62 G 3.9762 8.8078 106.7711 45.9213 0.0000 174.0055 63 A 4.2489 7.9817 126.7756 52.3090 19.2811 175.4980 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 4.53 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 2 K 7.74 4.38 0.00 1.88 1.75 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.56 7.81 3 A 8.11 4.07 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 4 K 8.16 4.09 0.00 1.73 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 5 E 8.30 4.02 0.00 2.00 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 0.00 2.31 2.30 0.00 6 L 7.59 3.62 0.00 1.79 1.63 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.72 3.75 0.00 1.95 1.92 0.00 3.38 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 8 E 8.23 4.49 0.00 2.11 1.80 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 2.20 2.34 0.00 9 K 8.26 4.25 0.00 2.05 1.86 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.50 7.81 10 S 8.49 4.50 0.00 3.88 3.89 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 11 V 7.42 4.03 2.08 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 1.09 0.00 0.00 0.93 0.00 0.00 12 E 8.16 3.96 0.00 2.34 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 2.41 2.41 0.00 13 E 8.16 3.93 0.00 2.33 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 2.31 2.31 0.00 14 L 7.72 4.07 0.00 1.98 1.65 0.92 0.61 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 15 N 8.28 4.44 0.00 3.02 2.83 0.00 0.00 6.82 6.83 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 16 T 7.88 3.83 4.24 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 1.21 0.00 0.00 17 E 8.10 3.72 0.00 2.10 2.08 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 2.32 2.46 0.00 18 L 8.38 3.98 0.00 1.96 1.65 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.30 4.01 0.00 2.02 1.70 0.95 0.50 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 20 N 9.33 4.15 0.00 2.85 2.83 0.00 0.00 7.03 6.62 0.00 0.00 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 L 7.87 3.97 0.00 1.76 1.79 0.93 1.37 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 22 L 8.58 3.68 0.00 1.78 1.62 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.64 4.20 0.00 1.99 1.45 0.00 3.39 0.00 0.00 3.19 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 24 E 8.61 3.39 0.00 2.17 1.83 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 2.42 2.31 0.00 25 Q 8.73 4.11 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 26 F 8.29 4.58 0.00 3.18 3.20 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 27 N 8.19 4.28 0.00 2.86 2.89 0.00 0.00 7.02 6.74 0.00 0.00 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 L 8.15 4.16 0.00 1.77 1.72 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.82 3.74 0.00 1.91 1.74 0.00 3.08 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 30 M 7.75 3.78 0.00 1.82 1.97 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 2.33 1.52 0.00 31 Q 8.91 4.04 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 32 A 8.28 3.93 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 33 A 8.21 4.10 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 34 S 7.92 4.63 0.00 4.07 4.22 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 0.00 0.00 0.00 0.00 35 G 8.29 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.23 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.09 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 37 L 8.54 3.57 0.00 1.80 1.66 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.82 4.06 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 39 Q 7.70 4.48 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.08 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 40 S 8.50 4.24 0.00 4.03 4.17 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 41 H 8.44 4.14 0.00 3.29 3.49 0.00 5.55 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.68 3.83 0.00 1.94 1.57 0.71 0.62 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 43 L 7.01 3.50 0.00 1.80 1.63 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.82 3.65 0.00 1.82 1.93 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.52 7.81 45 Q 7.50 4.27 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 5.43 0.00 0.00 0.00 0.00 0.00 2.62 2.26 0.00 46 V 7.85 3.57 2.25 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 0.91 0.00 0.00 0.92 0.00 0.00 47 R 8.34 3.87 0.00 2.22 2.13 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 48 R 8.20 4.00 0.00 1.86 1.95 0.00 3.35 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 49 D 8.05 4.29 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.29 3.53 2.35 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 1.01 0.00 0.00 0.96 0.00 0.00 51 A 7.58 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 52 R 7.77 3.83 0.00 1.93 1.99 0.00 3.30 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 1.65 1.83 0.00 53 V 7.80 3.66 2.26 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 0.83 0.00 0.00 1.01 0.00 0.00 54 K 8.27 4.20 0.00 1.85 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.70 7.81 55 T 8.07 3.80 4.43 0.00 0.00 0.00 0.00 0.00 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 56 L 7.53 4.14 0.00 1.72 1.68 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.04 4.16 0.00 1.93 2.15 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.64 4.93 0.00 2.74 2.81 0.00 0.00 6.97 8.36 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 59 E 7.66 4.68 0.00 2.15 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 2.28 2.37 0.00 60 K 8.35 3.96 0.00 1.75 1.92 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 61 A 7.70 4.45 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 62 G 8.81 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.98 4.25 1.23 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 0.00 0.00