NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.2025 8.2549 120.8580 56.1089 31.0323 174.3805 8 I 4.0903 8.1505 126.5264 58.1259 38.6249 173.1419 9 P 4.1393 0.0000 0.0000 63.0648 32.6937 175.9202 10 L 3.8646 8.9292 125.3817 58.3200 41.8042 178.9570 11 W 4.4101 8.4211 115.7594 59.6276 27.6995 177.5922 12 I 3.2181 6.7998 120.2031 63.0514 36.7190 178.0318 13 V 3.4693 7.7030 119.3955 66.1274 31.1923 177.6509 14 A 4.0284 7.8751 120.4181 55.1060 18.4218 179.3543 15 T 3.5359 7.9988 107.6212 64.3059 68.6401 176.5313 16 V 3.6346 7.6084 120.8420 65.6055 31.6315 177.8085 17 A 4.1701 8.0553 119.1883 54.7473 18.3168 179.5708 18 G 3.6266 8.9071 105.7196 48.1879 0.0000 175.6871 19 M 4.1295 8.0599 121.5591 57.8926 31.8921 179.1353 20 G 3.6557 8.1201 105.6047 47.6812 0.0000 175.7441 21 V 3.6891 8.0166 120.4447 65.6857 31.8239 178.1376 22 I 3.8818 7.7382 118.9978 64.1829 36.8094 178.5448 23 V 3.5000 7.9728 119.3848 65.9735 31.5704 177.9789 24 I 3.3858 7.2689 118.3017 64.0439 37.7543 178.0714 25 V 3.5538 8.1762 119.3554 65.4405 31.2816 178.0844 26 G 3.8194 7.9408 105.6306 47.2846 0.0000 175.6200 27 L 4.1656 7.9729 122.7192 57.9601 41.8130 179.1418 28 F 4.5407 7.7811 116.8029 60.8854 39.0029 177.3291 29 F 4.0779 8.2638 117.0886 60.6080 38.6528 177.2462 30 Y 4.3988 8.4677 119.5477 60.6541 38.6401 177.8148 31 G 3.8313 8.5715 106.4699 47.3195 0.0000 174.7860 32 A 4.0035 7.4379 121.1848 53.6065 18.4260 177.4782 33 Y 4.5576 7.8839 114.0311 57.3663 38.8269 175.8198 34 A 4.6121 7.7701 121.4934 53.5942 24.4511 178.7779 35 G 4.2799 7.6202 102.4647 45.4515 0.0000 174.3008 36 L 4.3133 8.5025 118.4611 56.1090 42.6871 178.2396 37 G 3.8614 7.8492 104.4839 46.1193 0.0000 175.7527 38 S 4.3934 7.2673 116.0881 58.0056 62.3543 174.5892 39 S 4.5669 8.4241 109.6075 58.5888 66.0388 174.0983 40 L 4.2765 7.8195 126.7472 55.0676 41.5224 176.0862 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 7 R 8.25 4.20 0.00 1.77 1.92 0.00 3.23 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 8 I 8.15 4.09 1.80 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 1.35 0.56 0.78 0.00 0.00 9 P 0.00 4.14 0.00 1.78 2.11 0.00 3.46 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 2.10 2.12 0.00 10 L 8.93 3.86 0.00 1.77 1.76 0.92 1.03 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 11 W 8.42 4.41 0.00 3.66 3.38 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 12 I 6.80 3.22 1.38 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.41 0.00 0.00 13 V 7.70 3.47 2.13 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 1.04 0.00 0.00 0.89 0.00 0.00 14 A 7.88 4.03 1.34 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 0.00 0.00 15 T 8.00 3.54 4.32 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 1.43 0.00 0.00 16 V 7.61 3.63 2.07 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 0.96 0.00 0.00 0.91 0.00 0.00 17 A 8.06 4.17 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 18 G 8.91 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.13 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.59 0.00 20 G 8.12 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 0.00 0.00 0.00 21 V 8.02 3.69 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 1.00 0.00 0.00 0.97 0.00 0.00 22 I 7.74 3.88 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.72 0.91 0.00 0.00 23 V 7.97 3.50 2.20 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 0.95 0.00 0.00 0.98 0.00 0.00 24 I 7.27 3.39 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.80 0.77 0.00 0.00 25 V 8.18 3.55 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 1.18 0.00 0.00 0.98 0.00 0.00 26 G 7.94 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.97 4.17 0.00 1.76 1.76 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.78 4.54 0.00 3.23 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.26 4.08 0.00 3.36 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.47 4.40 0.00 3.23 3.26 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 31 G 8.57 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 0.00 0.00 0.00 32 A 7.44 4.00 1.11 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 33 Y 7.88 4.56 0.00 2.77 2.91 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 34 A 7.77 4.61 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 35 G 7.62 4.28 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 0.00 36 L 8.50 4.31 0.00 1.67 1.67 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.85 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 38 S 7.27 4.39 0.00 3.80 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 39 S 8.42 4.57 0.00 3.94 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 40 L 7.82 4.28 0.00 1.68 1.61 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00