NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3654 8.1133 119.6557 56.1414 32.0667 174.1520 5 E 4.8301 8.5311 121.3643 53.5188 32.0337 174.0814 6 C 4.4298 9.7375 124.5338 59.2833 32.7212 174.0524 7 D 4.4487 8.6773 127.6509 56.3494 40.0250 175.9482 8 Y 4.3862 7.2612 118.5947 58.9842 40.7334 176.0751 9 C 4.0157 8.0849 114.5628 59.2154 30.6487 175.5384 10 G 3.9371 8.1495 108.3956 44.9297 0.0000 173.4747 11 T 4.3793 7.6353 109.8289 61.3654 70.7105 173.0814 12 D 5.0589 8.4515 122.0293 53.8892 41.7418 176.5303 13 I 4.0247 8.6368 125.7510 60.4921 37.7646 175.7967 14 E 3.9353 8.9611 128.8924 55.3781 29.8771 174.6192 15 P 4.2150 0.0000 0.0000 64.5179 31.5594 175.9288 16 G 3.8118 9.7442 108.5564 46.5205 0.0000 172.9794 17 T 4.4672 7.7701 113.1798 62.9828 72.6639 174.5364 18 G 4.0672 8.7401 110.9650 45.5547 0.0000 172.5157 19 T 4.8646 8.4460 113.7161 61.7781 73.0155 173.1540 20 M 5.1119 8.6951 122.8925 53.8875 34.7045 174.3024 21 F 4.8305 9.4745 129.6251 57.0096 41.4214 174.4752 22 V 4.3482 7.6547 126.4502 61.3643 32.0855 175.2490 23 H 4.0957 8.6497 125.9535 55.0717 29.3450 176.8219 24 K 3.8949 8.6020 122.2253 59.5260 32.0372 177.1360 25 D 4.5930 8.0737 115.5821 53.2036 39.4779 177.1341 26 G 3.8375 8.0095 108.8476 45.2250 0.0000 173.8702 27 A 4.3118 7.9247 121.6270 52.4030 19.8836 176.5301 28 T 5.0247 8.2655 114.5337 62.1646 72.4918 174.0167 29 T 4.5462 8.8482 121.8158 62.0731 72.0831 173.0432 30 H 5.0158 9.8005 125.7821 55.0439 29.8741 174.4869 31 F 5.2530 9.2515 123.9935 56.1184 40.2862 177.3775 32 C 4.3596 9.1615 117.9483 60.4662 30.3173 173.6364 33 S 4.6113 7.6124 114.1077 56.2667 66.4068 175.4628 34 S 4.4278 8.3925 118.3098 60.7156 62.7014 176.1681 35 K 3.7477 7.9735 122.7736 59.7515 32.0490 178.3768 36 C 4.2173 7.7270 115.7987 62.6839 27.9843 176.0617 37 E 2.6075 7.4157 120.2126 58.9895 28.7749 179.0701 38 N 4.1695 8.3099 116.7480 56.4419 38.4541 177.3010 39 N 4.3750 8.1408 117.5765 56.1459 38.5685 177.4212 40 A 4.1174 7.4143 121.8902 55.2074 18.2463 179.4380 41 D 4.2706 7.9574 116.5002 56.9052 40.9171 178.0545 42 L 4.3341 7.3388 117.4340 54.7990 41.9197 177.7352 43 G 3.9864 8.0509 107.6328 45.3311 0.0000 174.0092 44 R 4.2125 7.5703 118.8624 55.7150 30.8930 175.7932 45 E 4.4707 8.5864 121.1733 54.5767 31.1216 176.7987 46 A 3.2838 8.2651 126.5711 55.3584 18.3280 179.8495 47 R 3.8529 7.6111 112.9208 58.8529 30.2438 177.2908 48 N 4.4531 8.0607 113.7341 53.6093 39.1643 174.7952 49 L 4.4600 7.2653 119.7247 52.6770 42.2040 176.7568 50 E 3.9248 8.9829 124.8608 59.2337 29.4893 179.0661 51 W 4.3950 7.9438 113.6966 58.6478 28.7311 176.4730 52 T 3.8097 7.1132 117.6866 62.9073 68.4515 175.2022 53 D 4.3347 8.7581 125.9585 57.9098 41.2582 178.0159 54 T 3.8681 7.8998 114.6356 66.7420 68.5833 175.4543 55 A 3.9824 7.7913 122.1681 55.0549 18.6582 177.3727 56 R 4.1058 7.9362 115.6105 56.4229 29.6937 176.2486 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 4 R 8.11 4.37 0.00 1.77 1.88 0.00 2.97 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 5 E 8.53 4.83 0.00 2.01 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 2.42 2.35 0.00 6 C 9.74 4.43 0.00 3.02 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 7 D 8.68 4.45 0.00 2.52 2.63 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 8 Y 7.26 4.39 0.00 2.97 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 9 C 8.08 4.02 0.00 3.16 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 3.94 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 0.00 0.00 0.00 11 T 7.64 4.38 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 12 D 8.45 5.06 0.00 2.61 2.66 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 13 I 8.64 4.02 1.90 0.00 0.00 0.92 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 0.57 0.96 0.00 0.00 14 E 8.96 3.94 0.00 1.93 1.91 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 2.31 2.39 0.00 15 P 0.00 4.22 0.00 2.22 2.07 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 16 G 9.74 3.81 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 0.00 0.00 0.00 17 T 7.77 4.47 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 G 8.74 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 19 T 8.45 4.86 4.37 0.00 0.00 0.00 0.00 0.00 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 20 M 8.70 5.11 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.36 0.00 21 F 9.47 4.83 0.00 3.29 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 22 V 7.65 4.35 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 0.73 0.00 0.00 0.84 0.00 0.00 23 H 8.65 4.10 0.00 3.34 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.60 3.89 0.00 1.74 1.87 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 D 8.07 4.59 0.00 2.82 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 26 G 8.01 3.84 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 0.00 0.00 0.00 27 A 7.92 4.31 1.23 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 0.00 0.00 28 T 8.27 5.02 4.23 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 1.10 0.00 0.00 29 T 8.85 4.55 4.29 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 0.50 0.00 0.00 30 H 9.80 5.02 0.00 3.17 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.25 5.25 0.00 3.19 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.16 4.36 0.00 3.17 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 33 S 7.61 4.61 0.00 4.04 4.02 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 34 S 8.39 4.43 0.00 3.97 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 0.00 35 K 7.97 3.75 0.00 1.75 1.82 0.00 1.39 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.45 1.38 7.81 36 C 7.73 4.22 0.00 3.47 3.20 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 37 E 7.42 2.61 0.00 1.63 1.22 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 1.47 2.09 0.00 38 N 8.31 4.17 0.00 2.70 2.77 0.00 0.00 7.09 6.81 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 39 N 8.14 4.38 0.00 2.83 3.11 0.00 0.00 6.94 6.35 0.00 0.00 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 A 7.41 4.12 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.96 4.27 0.00 2.69 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 42 L 7.34 4.33 0.00 1.78 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.05 3.99 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 0.00 0.00 0.00 44 R 7.57 4.21 0.00 2.09 1.99 0.00 3.28 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 45 E 8.59 4.47 0.00 1.98 1.79 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 0.00 2.35 2.30 0.00 46 A 8.27 3.28 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.61 3.85 0.00 1.72 1.91 0.00 3.13 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 48 N 8.06 4.45 0.00 2.77 2.83 0.00 0.00 6.90 7.81 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 49 L 7.27 4.46 0.00 1.17 0.96 1.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.98 3.92 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 51 W 7.94 4.39 0.00 3.54 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 52 T 7.11 3.81 3.97 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 1.01 0.00 0.00 53 D 8.76 4.33 0.00 2.85 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 54 T 7.90 3.87 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 1.07 0.00 0.00 55 A 7.79 3.98 1.28 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 56 R 7.94 4.11 0.00 1.92 1.91 0.00 3.13 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.55 0.00