NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5337 8.2393 119.7179 55.8455 30.5087 176.3874 2 P 4.3404 0.0000 0.0000 61.8639 31.1088 176.8558 3 Y 4.9390 8.5928 117.1812 57.7392 40.3990 174.0689 4 H 5.2763 8.3656 117.7464 53.3576 31.9135 173.2428 5 C 4.3736 8.5021 122.2530 59.8635 32.7895 173.7883 6 S 4.5801 8.7335 117.4481 58.5963 61.7620 174.1473 7 Y 4.7586 6.9806 118.1217 59.2047 47.6806 179.7972 8 C 4.6502 8.1576 123.0740 60.0770 28.5942 174.1200 9 N 4.9645 8.5830 122.7727 54.1801 39.6260 175.6514 10 F 3.8414 8.1158 120.5510 57.2759 38.9878 173.8928 11 S 4.5867 7.7580 119.6833 57.6353 63.5183 173.0999 12 F 5.2064 8.8558 123.8177 56.0628 41.6759 174.0333 13 K 4.5350 9.0978 117.5243 57.0941 34.1230 175.9764 14 T 3.7371 6.9590 106.6629 59.1351 71.9992 173.8124 15 K 4.1211 8.3115 120.3470 59.4820 32.1035 178.7553 16 G 3.7672 8.0380 104.4400 48.0836 0.0000 174.7597 17 N 4.3323 7.7958 117.7692 55.6447 38.9551 176.7443 18 L 2.4400 7.0373 121.3886 58.4347 42.0105 179.4516 19 T 3.7803 8.3567 115.5346 66.4613 68.4975 176.2520 20 K 3.4899 7.9183 121.6919 59.8358 31.7214 178.2720 21 H 4.1421 7.5144 116.9926 59.5108 30.1910 176.7538 22 M 4.1989 7.6949 117.6443 56.7662 31.7791 178.2957 23 K 4.0659 8.3599 120.9906 58.5366 32.8148 177.2168 24 S 4.2906 7.1867 113.4884 58.1281 63.8729 174.9504 25 K 4.2666 8.1636 120.3954 56.3284 31.7409 176.8689 26 A 3.8726 7.6965 122.1810 53.7038 18.5985 178.5077 27 H 4.6690 8.2112 106.7816 53.4965 30.2680 176.2763 28 S 4.7086 7.5587 118.8663 58.1522 63.7626 174.7326 29 K 4.1910 7.9847 124.9156 57.4507 33.1336 176.2245 30 K 4.2004 7.9727 123.7697 57.0292 32.1900 175.4458 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 8.24 4.53 0.00 1.96 2.15 0.00 3.24 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 2 P 0.00 4.34 0.00 1.62 1.94 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 3 Y 8.59 4.94 0.00 3.24 3.13 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 4 H 8.37 5.28 0.00 3.01 3.24 0.00 5.74 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 5 C 8.50 4.37 0.00 3.48 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 6 S 8.73 4.58 0.00 4.06 3.66 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 0.00 0.00 0.00 0.00 7 Y 6.98 4.76 0.00 2.74 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 8 C 8.16 4.65 0.00 3.23 3.06 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 0.00 0.00 0.00 9 N 8.58 4.96 0.00 2.64 2.69 0.00 0.00 6.77 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 10 F 8.12 3.84 0.00 3.11 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 11 S 7.76 4.59 0.00 3.44 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.86 5.21 0.00 2.95 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 13 K 9.10 4.54 0.00 1.69 1.77 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.39 7.81 14 T 6.96 3.74 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 1.09 0.00 0.00 15 K 8.31 4.12 0.00 2.03 1.85 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.62 7.81 16 G 8.04 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 17 N 7.80 4.33 0.00 2.65 2.82 0.00 0.00 6.70 6.73 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 18 L 7.04 2.44 0.00 1.73 1.72 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.36 3.78 4.31 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 1.17 0.00 0.00 20 K 7.92 3.49 0.00 1.82 1.75 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.41 7.81 21 H 7.51 4.14 0.00 2.95 3.38 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 M 7.69 4.20 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.74 0.00 23 K 8.36 4.07 0.00 1.76 1.86 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 24 S 7.19 4.29 0.00 3.89 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 25 K 8.16 4.27 0.00 1.82 1.84 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.34 7.81 26 A 7.70 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 H 8.21 4.67 0.00 2.73 3.05 0.00 5.55 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.56 4.71 0.00 4.11 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 29 K 7.98 4.19 0.00 1.72 1.86 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.36 7.81 30 K 7.97 4.20 0.00 1.79 1.80 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.50 7.81