NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3827 8.3144 122.1479 54.1535 33.4527 175.2318 3 Y 3.9050 8.5715 125.5991 55.9192 39.3028 175.0053 4 D 4.4664 7.8896 127.4443 52.9394 40.7033 176.2123 5 W 4.1648 8.2245 125.2431 58.8466 29.4208 177.4391 6 F 4.4085 8.4421 121.8621 60.8182 38.9035 176.5385 7 E 4.0332 8.5862 118.8571 59.1663 29.4886 178.3858 8 F 4.0113 7.8348 120.6952 61.5274 39.5056 177.1885 9 F 4.1313 8.1173 117.3783 60.2983 38.6470 177.3900 10 L 3.8365 7.9368 120.0278 58.3228 41.6857 178.9022 11 N 4.3657 8.0113 115.0034 55.9799 38.4931 176.6021 12 C 4.1497 7.2508 116.3250 60.5044 28.3037 174.5781 13 G 3.8943 7.5949 108.7506 45.0635 0.0000 173.7930 14 V 3.7454 7.2338 119.0314 61.9234 32.3281 176.1793 15 D 4.4251 8.4189 125.1112 54.1502 42.9566 177.3107 16 V 3.5186 8.3672 124.4847 66.2731 31.5204 178.4019 17 S 4.0363 7.9164 112.1452 61.5786 62.2706 175.8118 18 N 3.7528 7.8241 118.5387 56.0052 38.1732 176.9083 19 C 3.6931 7.6559 118.3051 62.6000 28.0815 175.9241 20 Q 4.1890 7.7549 120.8703 59.2663 28.7231 178.2285 21 R 3.8484 7.5024 119.0816 59.8500 30.0712 178.1484 22 Y 4.2859 7.5907 116.6571 61.1622 37.4898 178.6253 23 T 4.2485 8.0749 116.8652 66.7976 68.5860 176.5695 24 I 3.8358 7.9521 121.6947 64.6345 37.1303 178.2901 25 N 4.4075 8.3274 117.0751 56.4213 38.4383 177.5374 26 F 3.8025 8.9098 119.6064 60.4878 39.0145 177.4400 27 D 4.5446 8.5882 118.6938 57.5335 40.4901 178.8390 28 R 3.9831 8.0243 117.7781 59.3896 30.1898 177.5404 29 E 4.2471 8.0728 114.9709 55.8523 29.6055 176.4035 30 Q 3.6920 7.8576 116.3883 56.9530 26.5572 173.6553 31 L 4.2706 7.9144 117.8458 54.5297 42.6104 176.6868 32 T 4.9632 8.2249 111.5773 58.9218 72.2945 174.3267 33 E 3.1244 8.3603 121.7970 59.1086 29.1503 178.2775 34 D 4.4406 7.8609 117.2661 55.8008 39.8586 177.2949 35 M 4.4156 7.9017 119.1402 56.3198 32.3340 177.7090 36 M 4.1534 7.9111 120.2692 58.1067 31.9799 176.7374 37 P 3.4322 0.0000 0.0000 64.5662 31.5741 176.7901 38 D 4.5423 7.7526 116.4970 54.7663 41.3196 176.9371 39 I 3.8529 7.3975 121.2241 61.1698 37.6264 175.4022 40 N 5.1639 8.3267 121.5032 50.4045 41.9311 174.9415 41 N 4.3431 8.6257 116.5903 56.4664 38.4478 177.4427 42 S 4.0676 8.0841 114.0234 61.6027 62.4906 175.7628 43 M 3.9558 8.5106 120.9182 58.7177 31.9944 178.1844 44 L 3.9954 7.9551 119.1481 57.6456 41.7037 179.5725 45 R 3.8456 8.1128 118.7930 59.6810 29.8323 178.5364 46 T 3.8682 7.7861 114.4802 66.6760 68.5865 175.8145 47 L 4.2746 7.8333 117.5863 55.1314 41.6798 177.8269 48 G 3.9574 7.7583 107.5486 45.3126 0.0000 173.8321 49 L 3.6762 7.3789 119.3590 53.7570 42.2644 178.1185 50 R 4.1559 8.7221 121.9973 56.0477 32.1512 177.9833 51 E 4.0512 8.8774 121.3968 59.7094 29.5043 179.9693 52 G 3.6986 8.1100 105.0883 48.1094 0.0000 175.3151 53 D 4.4528 7.9898 120.7431 56.8003 40.8287 178.5623 54 I 3.6766 7.9073 120.6736 64.4135 37.0669 178.3574 55 V 3.5977 7.6279 118.3957 66.1763 31.3539 178.1163 56 R 3.9148 7.9219 117.5976 59.3687 29.8971 179.3300 57 V 3.6227 8.1324 118.1264 66.3827 31.5281 178.0056 58 M 4.1810 8.4686 118.8106 58.1453 31.7402 178.6106 59 K 3.9332 8.4330 120.1845 59.7238 32.3033 178.2796 60 H 4.0665 8.2496 118.3972 59.3870 29.7451 177.2717 61 L 4.0531 8.3337 120.8724 57.9253 41.4740 179.2191 62 D 4.4672 8.5975 119.2919 57.2543 40.4499 178.7855 63 K 3.9259 8.0855 120.1727 59.2107 31.9713 178.6873 64 K 3.6961 7.8249 118.9729 59.2275 32.1359 177.9111 65 F 4.8927 7.8963 114.6097 56.5459 39.1146 175.9274 66 G 3.9090 7.6761 106.1632 46.7316 0.0000 174.4729 67 R 4.1823 8.4890 124.6668 56.0835 30.1311 176.6449 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 2 K 8.31 4.38 0.00 1.79 1.68 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 3 Y 8.57 3.91 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.89 4.47 0.00 2.50 2.11 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 5 W 8.22 4.16 0.00 3.63 3.29 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 6 F 8.44 4.41 0.00 3.31 3.23 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 7 E 8.59 4.03 0.00 2.29 2.06 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 2.26 2.35 0.00 8 F 7.83 4.01 0.00 3.01 3.07 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 9 F 8.12 4.13 0.00 2.98 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 10 L 7.94 3.84 0.00 1.74 1.81 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.01 4.37 0.00 2.74 2.73 0.00 0.00 7.13 7.38 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 12 C 7.25 4.15 0.00 2.96 2.84 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 13 G 7.59 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 0.00 0.00 0.00 14 V 7.23 3.75 2.23 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 0.70 0.00 0.00 1.07 0.00 0.00 15 D 8.42 4.43 0.00 2.78 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.37 3.52 2.11 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 1.15 0.00 0.00 1.00 0.00 0.00 17 S 7.92 4.04 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.82 3.75 0.00 2.54 1.77 0.00 0.00 7.08 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 19 C 7.66 3.69 0.00 2.48 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 0.00 0.00 0.00 20 Q 7.75 4.19 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 21 R 7.50 3.85 0.00 1.75 1.62 0.00 3.15 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 22 Y 7.59 4.29 0.00 1.81 1.65 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 4.25 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 24 I 7.95 3.84 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.78 0.97 0.00 0.00 25 N 8.33 4.41 0.00 3.12 2.98 0.00 0.00 7.08 8.24 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 26 F 8.91 3.80 0.00 2.84 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 0.00 0.00 0.00 0.00 27 D 8.59 4.54 0.00 3.05 2.86 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 28 R 8.02 3.98 0.00 1.94 2.13 0.00 3.27 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 29 E 8.07 4.25 0.00 1.90 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 2.45 2.40 0.00 30 Q 7.86 3.69 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 31 L 7.91 4.27 0.00 1.28 1.39 0.48 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.22 4.96 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 1.30 0.00 0.00 33 E 8.36 3.12 0.00 1.16 1.64 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 0.00 1.99 1.47 0.00 34 D 7.86 4.44 0.00 2.83 2.74 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 0.00 0.00 0.00 0.00 35 M 7.90 4.42 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 36 M 7.91 4.15 0.00 2.41 2.40 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 37 P 0.00 3.43 0.00 1.69 1.33 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.30 0.00 38 D 7.75 4.54 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.40 3.85 2.12 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 1.05 0.00 0.00 40 N 8.33 5.16 0.00 2.94 2.90 0.00 0.00 6.28 6.96 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 41 N 8.63 4.34 0.00 2.77 2.92 0.00 0.00 6.46 7.57 0.00 0.00 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 S 8.08 4.07 0.00 3.88 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.51 3.96 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 44 L 7.96 4.00 0.00 1.90 1.71 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.11 3.85 0.00 1.99 2.06 0.00 3.10 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 1.61 1.66 0.00 46 T 7.79 3.87 4.34 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 1.17 0.00 0.00 47 L 7.83 4.27 0.00 1.71 1.72 0.25 0.74 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 48 G 7.76 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 0.00 0.00 0.00 49 L 7.38 3.68 0.00 1.58 1.33 0.46 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.72 4.16 0.00 2.06 1.89 0.00 3.33 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 51 E 8.88 4.05 0.00 1.98 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 2.41 2.34 0.00 52 G 8.11 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 53 D 7.99 4.45 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.91 3.68 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.85 0.96 0.00 0.00 55 V 7.63 3.60 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 1.14 0.00 0.00 0.96 0.00 0.00 56 R 7.92 3.91 0.00 2.09 2.16 0.00 3.36 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 1.66 1.93 0.00 57 V 8.13 3.62 2.29 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 1.52 0.00 0.00 1.18 0.00 0.00 58 M 8.47 4.18 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.89 0.00 59 K 8.43 3.93 0.00 1.97 2.02 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 60 H 8.25 4.07 0.00 3.29 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.33 4.05 0.00 1.95 2.06 1.23 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.60 4.47 0.00 2.90 2.77 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 63 K 8.09 3.93 0.00 1.95 1.90 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.43 7.81 64 K 7.82 3.70 0.00 1.49 1.29 0.00 1.61 0.00 0.00 0.96 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.31 1.08 7.81 65 F 7.90 4.89 0.00 3.13 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 66 G 7.68 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.49 4.18 0.00 1.84 1.90 0.00 3.54 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00