NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2725 8.1127 120.8598 56.6422 32.3849 177.3730 2 M 3.8446 7.9632 116.8470 57.5818 32.2881 176.3091 3 K 3.8984 8.2226 119.5513 59.4234 32.6400 177.7563 4 Q 3.9195 8.0506 119.2468 59.3735 29.0827 177.7386 5 I 3.6575 7.4563 120.1601 64.9003 37.2279 177.7849 6 E 3.9670 8.3148 118.6956 59.8878 29.5082 179.4274 7 D 4.3722 8.2034 118.5907 57.1884 40.8513 178.8552 8 K 3.9366 8.2378 119.2651 59.6932 32.1111 179.4050 9 I 3.7287 7.7035 119.8846 64.3879 36.9912 178.1883 10 E 3.9776 8.2116 120.0863 58.8452 29.3565 178.5809 11 E 3.8922 8.0645 119.2288 59.3121 29.7127 178.5740 12 I 3.6898 7.7800 119.7946 64.5062 37.2320 178.1704 13 L 3.9930 7.9646 119.5123 58.0058 41.4900 179.6785 14 S 4.1527 8.2646 112.8415 61.3919 62.3063 176.3335 15 K 4.0529 8.0841 121.1742 59.5679 31.7203 179.2595 16 I 3.7040 8.0957 120.3364 64.7126 37.1491 177.8291 17 Y 4.0235 8.0326 119.7895 60.7024 38.6376 177.4718 18 H 3.9706 8.2294 119.1885 59.2992 30.0572 177.1617 19 I 3.8417 7.7671 122.9351 64.0032 36.8755 178.3548 20 E 3.9592 8.3832 119.3887 59.1955 29.1388 179.4092 21 N 4.1922 7.6196 116.2787 56.2419 38.1054 176.8409 22 E 3.8047 7.8431 119.8380 59.8897 29.3972 179.4241 23 I 3.6694 7.5707 118.0703 64.5276 37.4881 178.1157 24 A 4.0702 7.5883 121.4294 55.3161 18.4209 179.7690 25 R 3.8877 7.9438 116.8653 59.4138 30.0338 178.6853 26 I 3.8619 7.6555 119.7536 63.7241 37.0419 178.4385 27 K 3.8892 8.0331 119.1844 59.4656 31.8853 178.6645 28 K 4.2595 7.4261 119.1445 59.4858 32.1629 177.1727 29 L 4.0735 7.6282 117.9342 57.6294 41.7038 178.4955 30 I 4.2492 7.5324 108.6942 60.4935 37.9810 175.2853 31 G 3.9854 7.9740 111.3795 45.7594 0.0000 174.1784 32 E 4.1193 8.9093 114.8408 56.4780 29.5901 172.8507 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 8.11 4.27 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 2 M 7.96 3.84 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.71 0.00 3 K 8.22 3.90 0.00 1.90 1.79 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.56 7.81 4 Q 8.05 3.92 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 5 I 7.46 3.66 2.14 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.53 0.94 0.00 0.00 6 E 8.31 3.97 0.00 2.13 2.01 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 2.33 2.55 0.00 7 D 8.20 4.37 0.00 2.86 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 8 K 8.24 3.94 0.00 2.00 1.87 0.00 1.56 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 9 I 7.70 3.73 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.91 0.00 0.00 10 E 8.21 3.98 0.00 2.02 1.94 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 2.29 2.44 0.00 11 E 8.06 3.89 0.00 2.22 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 0.00 2.32 2.36 0.00 12 I 7.78 3.69 2.01 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 0.63 0.93 0.00 0.00 13 L 7.96 3.99 0.00 1.84 1.73 0.92 0.44 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 14 S 8.26 4.15 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.05 0.00 2.02 1.88 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.49 1.75 7.81 16 I 8.10 3.70 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.95 0.00 0.00 17 Y 8.03 4.02 0.00 3.19 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.23 3.97 0.00 3.34 3.51 0.00 5.85 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 19 I 7.77 3.84 2.00 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 1.49 0.88 0.00 0.00 20 E 8.38 3.96 0.00 1.86 1.94 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 2.38 2.50 0.00 21 N 7.62 4.19 0.00 2.66 2.68 0.00 0.00 6.88 6.94 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 22 E 7.84 3.80 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 23 I 7.57 3.67 1.82 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 1.41 0.65 0.88 0.00 0.00 24 A 7.59 4.07 1.33 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 0.00 0.00 25 R 7.94 3.89 0.00 1.87 2.05 0.00 3.08 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 I 7.66 3.86 1.97 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 1.50 0.49 0.89 0.00 0.00 27 K 8.03 3.89 0.00 1.94 1.83 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.59 7.81 28 K 7.43 4.26 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.38 7.81 29 L 7.63 4.07 0.00 1.83 1.73 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.53 4.25 1.86 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 1.38 0.57 0.93 0.00 0.00 31 G 7.97 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 32 E 8.91 4.12 0.00 1.90 1.88 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 2.33 1.92 0.00