NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6259 8.1633 120.3355 55.3753 34.6353 177.5862 2 K 3.8473 7.9888 118.2079 59.1767 32.0496 177.6432 3 H 4.3018 8.2215 116.1611 59.0619 29.3207 177.1489 4 F 4.3915 8.4316 121.8732 61.4213 38.9156 176.8482 5 L 4.0912 7.9977 117.7999 57.6267 41.8920 179.0885 6 T 4.0590 7.8632 115.9685 66.3151 68.3443 176.3045 7 Y 4.1162 8.3508 122.0950 60.6914 38.7351 177.8003 8 L 3.6041 7.2552 117.0776 56.2815 41.7243 178.4382 9 S 4.3970 7.2915 113.9322 57.9480 63.9054 174.5008 10 T 3.9049 7.4182 113.6351 61.3183 69.5538 175.2637 11 A 3.8774 8.6798 127.7330 54.8980 18.5564 178.2930 12 P 4.2020 0.0000 0.0000 65.9283 31.3542 178.8022 13 V 3.4622 7.6165 117.9492 65.7634 31.4497 178.1200 14 L 3.9628 7.7673 118.0341 57.5745 41.4844 179.2385 15 A 4.0837 8.1424 120.7625 54.8736 18.2363 179.4672 16 A 3.9297 8.1581 119.3180 55.4090 18.6106 179.7405 17 I 3.6649 7.8698 118.1325 64.4562 37.2171 178.5464 18 W 4.4882 8.7858 129.3251 60.8412 30.4616 177.7076 19 M 3.9206 8.3199 118.2086 58.8279 31.6301 178.3454 20 T 3.8314 8.1885 116.2335 66.5360 68.5774 176.8072 21 I 3.6324 7.5975 121.6020 64.5866 37.1254 178.5947 22 T 3.5320 7.6333 116.4368 66.2877 68.1807 176.5613 23 A 3.9627 8.1789 123.0236 55.1375 18.4868 179.7206 24 G 3.6135 8.0687 104.2523 48.0852 0.0000 175.7834 25 I 3.7027 7.6674 122.0719 64.2107 37.2853 178.5878 26 L 4.0181 7.7951 119.7033 57.6956 41.1651 179.7312 27 I 3.6697 8.1218 119.0837 64.4454 37.4204 177.9069 28 E 3.8078 8.5541 119.6582 59.4233 29.3308 179.1899 29 F 4.0222 8.6006 120.9244 61.4859 39.2285 176.6375 30 N 4.6902 8.0698 113.7494 55.2288 38.4970 177.0783 31 R 3.9228 7.4423 120.2465 59.0528 30.2441 177.7565 32 F 4.6285 7.5540 115.4499 58.5417 40.5693 175.4635 33 Y 4.6892 7.5370 114.4709 55.7558 38.1010 172.7082 34 P 4.4751 0.0000 0.0000 62.9782 32.6576 175.8013 35 D 4.2737 8.4542 115.7780 55.3624 38.2835 175.3451 36 L 4.1216 7.8528 119.1974 53.8812 40.7549 176.5108 37 L 4.2076 7.8263 126.4207 56.4616 42.6302 176.1115 38 F 4.8681 6.6752 110.8510 55.5256 40.4251 172.7501 39 H 4.5610 9.1735 120.8434 55.4504 29.9783 174.1462 40 P 4.3581 0.0000 0.0000 65.1947 31.5542 176.0479 41 L 4.0826 7.3779 121.6569 55.3254 42.2027 174.3304 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 8.16 4.63 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 2 K 7.99 3.85 0.00 1.73 1.83 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.50 7.81 3 H 8.22 4.30 0.00 3.27 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.43 4.39 0.00 3.18 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 5 L 8.00 4.09 0.00 1.97 1.73 0.99 1.05 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 6 T 7.86 4.06 4.46 0.00 0.00 0.00 0.00 0.00 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 7 Y 8.35 4.12 0.00 2.91 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 8 L 7.26 3.60 0.00 1.47 1.48 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.29 4.40 0.00 3.99 3.83 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 0.00 0.00 0.00 10 T 7.42 3.90 4.19 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 1.30 0.00 0.00 11 A 8.68 3.88 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 12 P 0.00 4.20 0.00 2.26 2.31 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 13 V 7.62 3.46 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 0.78 0.00 0.00 0.47 0.00 0.00 14 L 7.77 3.96 0.00 1.66 1.63 0.88 0.81 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 15 A 8.14 4.08 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 A 8.16 3.93 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 17 I 7.87 3.66 2.12 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.12 1.03 0.00 0.00 18 W 8.79 4.49 0.00 3.40 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 19 M 8.32 3.92 0.00 2.17 2.38 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 20 T 8.19 3.83 4.38 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 1.20 0.00 0.00 21 I 7.60 3.63 1.70 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.68 0.00 0.00 22 T 7.63 3.53 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 1.02 0.00 0.00 23 A 8.18 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 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 0.00 0.00 0.00 25 I 7.67 3.70 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 0.89 0.00 0.00 26 L 7.80 4.02 0.00 1.87 1.68 0.84 0.70 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 27 I 8.12 3.67 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.65 0.85 0.00 0.00 28 E 8.55 3.81 0.00 1.95 1.85 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 2.43 2.42 0.00 29 F 8.60 4.02 0.00 3.32 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 30 N 8.07 4.69 0.00 3.09 2.89 0.00 0.00 7.02 7.09 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 31 R 7.44 3.92 0.00 1.56 1.48 0.00 3.11 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.50 0.00 32 F 7.55 4.63 0.00 2.70 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 0.00 0.00 0.00 0.00 33 Y 7.54 4.69 0.00 2.62 2.76 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 34 P 0.00 4.48 0.00 2.03 1.99 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.41 0.00 35 D 8.45 4.27 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 4.12 0.00 1.67 1.63 1.15 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.83 4.21 0.00 1.49 1.46 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 38 F 6.68 4.87 0.00 3.12 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.17 4.56 0.00 3.26 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.36 0.00 2.06 2.15 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 41 L 7.38 4.08 0.00 2.00 1.68 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00