NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1832 8.2549 119.6877 54.8888 31.8667 175.0751 2 P 4.0171 0.0000 0.0000 62.2806 31.8227 176.3411 3 D 4.3963 8.3696 121.5812 56.9966 41.8037 178.6068 4 F 4.3358 7.8944 114.7174 59.6927 37.5939 177.8165 5 C 4.6872 7.4784 116.0534 59.1536 40.0234 174.7130 6 L 4.3285 7.8089 118.7633 54.0910 42.0758 176.5520 7 E 4.3360 7.4953 119.4413 54.7362 30.3130 174.9784 8 P 4.3683 0.0000 0.0000 61.5001 32.1138 174.4107 9 P 3.5209 0.0000 0.0000 62.7423 31.3067 175.2053 10 Y 4.6372 7.8015 121.2774 56.0708 40.5034 175.3406 11 T 4.1601 8.3144 125.3068 65.0912 68.8577 175.9793 12 G 3.6920 6.8671 105.3486 43.9648 0.0000 171.1316 13 P 4.3489 0.0000 0.0000 64.6865 32.0527 177.6981 14 C 4.5372 7.9052 116.7607 57.0696 40.7684 173.3210 15 T 4.6756 8.0072 109.8491 61.3496 68.5925 174.3660 16 A 4.2632 7.8566 124.9022 52.3764 20.9026 177.8024 17 R 4.6635 8.0993 117.6566 54.4323 29.8173 172.6464 18 I 4.4167 8.3897 122.6744 58.9590 39.8084 174.9074 19 I 4.2121 8.2894 128.3147 61.2554 37.6917 175.4233 20 R 4.8601 8.3347 124.9851 54.6974 35.1061 173.5289 21 Y 5.6027 9.5547 117.8037 56.5541 41.1905 175.3125 22 F 5.7402 9.5238 116.9702 55.4185 42.1001 172.8476 23 Y 4.4581 10.0745 122.7215 57.1081 40.1948 173.9438 24 N 4.7890 8.0568 125.9251 51.3986 38.6603 174.8048 25 A 3.8223 8.2606 129.4552 54.8174 18.7899 178.9232 26 K 4.0521 8.1098 114.7759 58.8022 32.1866 177.9286 27 A 4.2738 7.9350 119.4437 51.5333 19.8603 177.6679 28 G 4.0671 8.5967 103.6609 45.2501 0.0000 172.7848 29 L 4.8539 6.8651 118.3905 54.1188 44.4404 175.3149 30 C 4.9343 8.6592 116.6471 56.3396 39.6951 173.0728 31 Q 4.8509 8.6607 123.4115 54.3178 32.5020 174.3574 32 T 4.8642 8.4511 113.1441 61.3553 70.6387 173.3973 33 F 5.0048 8.8318 116.9444 56.0280 42.0940 172.8539 34 V 4.3566 8.4264 119.6655 61.9716 32.0938 174.1041 35 Y 4.8045 8.7855 130.1529 55.9381 40.2633 176.5454 36 G 3.7840 8.3375 113.8911 46.6254 0.0000 175.0973 37 G 3.7311 6.4754 107.4218 45.1354 0.0000 172.3147 38 C 4.9945 6.8169 111.4067 54.6851 44.5635 173.1893 39 R 3.8360 8.8463 116.5438 57.0807 27.0616 176.8558 40 A 4.2000 8.3355 119.2583 52.4613 18.9928 178.4929 41 K 4.3226 8.2985 121.1087 55.0441 33.7170 177.3812 42 R 3.4845 7.9957 117.9678 58.7134 30.4001 177.5297 43 N 4.8394 7.7508 118.3062 51.4313 37.4769 174.6680 44 N 5.1087 6.7003 116.6386 52.8799 41.3895 173.0141 45 F 5.0268 9.6317 124.8908 55.6590 42.3386 176.5531 46 K 4.5824 8.8212 121.2836 57.7970 32.8487 177.6147 47 S 4.4232 7.6800 112.9346 55.5398 67.1876 174.6037 48 A 3.3815 7.3342 124.4874 54.8252 18.0468 179.7708 49 E 3.7268 7.7705 117.4019 59.4978 29.7037 178.5444 50 D 4.2742 7.8865 118.8784 57.5025 40.8325 178.0444 51 C 2.4500 7.5545 118.2248 59.0896 44.7962 175.7053 52 L 3.7467 7.9359 120.8375 57.6952 40.9437 179.6454 53 R 3.9000 7.9173 117.1738 58.6310 29.9968 178.2613 54 T 4.3310 7.1146 114.2009 64.4691 69.6273 174.7679 55 C 4.4967 8.1073 115.7741 55.6404 41.9942 173.9919 56 G 3.7650 7.4102 109.3696 47.4294 0.0000 174.1450 57 G 3.8561 8.9207 112.2158 45.1426 0.0000 173.0774 58 A 4.0640 7.3211 127.4663 52.3519 18.2452 177.4272 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 R 8.25 4.18 0.00 1.65 1.69 0.00 3.35 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 2 P 0.00 4.02 0.00 0.68 1.51 0.00 3.25 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 3 D 8.37 4.40 0.00 2.69 2.72 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 4 F 7.89 4.34 0.00 3.22 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.48 4.69 0.00 3.00 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 6 L 7.81 4.33 0.00 1.75 1.76 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.50 4.34 0.00 2.20 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 2.41 2.44 0.00 8 P 0.00 4.37 0.00 2.06 2.00 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 9 P 0.00 3.52 0.00 0.72 0.49 0.00 3.22 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.00 10 Y 7.80 4.64 0.00 2.77 2.88 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 0.00 0.00 0.00 11 T 8.31 4.16 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 1.19 0.00 0.00 12 G 6.87 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.18 2.19 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 14 C 7.91 4.54 0.00 2.88 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 4.68 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 1.16 0.00 0.00 16 A 7.86 4.26 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 17 R 8.10 4.66 0.00 1.72 1.74 0.00 3.18 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 18 I 8.39 4.42 2.00 0.00 0.00 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 1.20 0.62 0.97 0.00 0.00 19 I 8.29 4.21 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.41 0.69 0.00 0.00 20 R 8.33 4.86 0.00 0.84 1.90 0.00 3.45 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 21 Y 9.55 5.60 0.00 3.16 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 22 F 9.52 5.74 0.00 3.09 2.94 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 23 Y 10.07 4.46 0.00 3.10 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 24 N 8.06 4.79 0.00 2.27 2.45 0.00 0.00 6.69 8.64 0.00 0.00 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 A 8.26 3.82 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 26 K 8.11 4.05 0.00 1.88 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.38 7.81 27 A 7.93 4.27 1.17 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 0.00 0.00 28 G 8.60 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.87 4.85 0.00 1.69 1.71 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.66 4.93 0.00 2.91 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 31 Q 8.66 4.85 0.00 1.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 32 T 8.45 4.86 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 0.72 0.00 0.00 33 F 8.83 5.00 0.00 3.05 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 34 V 8.43 4.36 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 0.91 0.00 0.00 35 Y 8.79 4.80 0.00 2.52 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 36 G 8.34 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 37 G 6.48 3.73 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 0.00 0.00 0.00 38 C 6.82 4.99 0.00 3.06 2.98 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 39 R 8.85 3.84 0.00 2.23 2.26 0.00 3.27 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.34 4.20 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 4.32 0.00 1.72 1.67 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.07 7.81 42 R 8.00 3.48 0.00 0.85 0.66 0.00 2.53 0.00 0.00 2.89 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.24 0.00 43 N 7.75 4.84 0.00 3.22 2.90 0.00 0.00 6.69 7.79 0.00 0.00 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 N 6.70 5.11 0.00 2.67 2.57 0.00 0.00 7.09 7.02 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 45 F 9.63 5.03 0.00 3.28 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 46 K 8.82 4.58 0.00 1.84 1.94 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.48 7.81 47 S 7.68 4.42 0.00 3.84 3.87 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 48 A 7.33 3.38 0.97 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 0.00 0.00 0.00 0.00 0.00 49 E 7.77 3.73 0.00 1.95 1.86 0.00 0.00 0.00 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 2.33 0.00 50 D 7.89 4.27 0.00 3.04 2.89 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 51 C 7.55 2.45 0.00 2.73 3.02 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 0.00 0.00 0.00 52 L 7.94 3.75 0.00 1.59 1.61 0.87 0.98 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 53 R 7.92 3.90 0.00 1.83 1.94 0.00 3.10 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 54 T 7.11 4.33 4.10 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 0.00 0.00 1.62 0.00 0.00 55 C 8.11 4.50 0.00 2.72 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 0.00 0.00 0.00 0.00 56 G 7.41 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.32 4.06 1.12 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