NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3459 8.1133 119.7063 56.5864 32.6180 177.5493 2 M 3.8522 8.0544 117.3237 57.5044 31.8713 176.9006 3 K 4.0606 8.2150 119.4720 59.5447 32.6971 178.0796 4 Q 3.9296 8.0021 119.3099 59.2000 29.0551 178.0343 5 I 3.6843 7.8694 120.8139 64.4698 37.1753 178.2070 6 E 3.9805 8.4819 119.6579 59.5619 29.3206 179.2104 7 D 4.3711 8.3553 119.0193 57.3392 40.8037 179.0322 8 K 3.9841 8.3137 119.1596 59.3949 31.9806 179.3510 9 I 3.6709 8.1504 120.5375 64.4810 37.0563 177.9784 10 E 3.9275 8.2459 119.9631 59.1679 29.4218 178.4755 11 E 3.8830 8.1333 119.1756 59.3933 29.6813 178.7990 12 I 3.7067 7.9985 120.0759 64.5740 37.2065 178.3256 13 E 3.9535 8.5860 119.7677 59.3063 29.2946 179.3609 14 S 4.0766 8.0779 113.2827 61.3527 62.4307 176.2365 15 K 3.9867 8.1424 122.3476 59.3487 31.8464 178.6110 16 Q 3.9516 8.4183 120.4291 58.9275 28.9818 178.1186 17 K 4.1031 8.1684 120.7034 59.4638 32.1903 178.9141 18 K 3.9795 7.9982 118.6426 59.4931 31.8678 179.3823 19 I 3.6892 8.1393 120.4155 64.4582 37.0427 178.2723 20 E 3.9499 8.5247 119.7780 59.5812 29.2665 179.2962 21 N 4.3510 8.2725 116.4716 56.1773 38.5053 177.1513 22 E 3.9132 8.3994 120.8923 59.3389 29.6787 178.8341 23 I 3.6477 8.0866 119.9244 64.3666 37.1624 178.2655 24 A 3.9629 7.9661 121.6123 55.1381 18.1864 179.9754 25 R 3.8415 7.9831 116.6210 59.3421 30.0771 179.2744 26 I 3.6684 7.9912 119.8824 64.3753 37.0584 178.5878 27 K 3.9113 8.2026 119.3685 59.3241 31.8541 179.5966 28 K 3.7944 7.8959 118.5481 59.3737 31.9741 179.1931 29 L 3.8422 7.9010 120.5874 57.9413 41.9310 178.6722 30 L 3.8524 8.1818 120.7346 58.1757 41.9492 178.7433 31 Q 3.7130 8.0772 119.5781 59.0336 28.8095 178.2442 32 L 3.4722 7.6044 120.2332 57.7356 41.5186 179.6080 33 T 3.8602 7.9899 109.9353 64.6743 68.6326 176.7841 34 V 3.5965 7.9022 121.1640 65.6255 31.5208 178.0387 35 W 4.4983 8.4720 118.9657 59.8344 28.9072 178.7426 36 G 3.6882 8.6652 106.0567 47.8539 0.0000 175.8789 37 I 3.7636 8.1209 122.3998 64.1883 37.0920 178.7408 38 K 4.3337 8.2662 120.7250 59.0184 31.8289 179.5112 39 Q 4.0113 8.4078 118.6270 58.8693 28.6112 178.6880 40 L 4.0382 7.9799 120.0887 57.7955 41.4720 179.5355 41 Q 3.9715 8.4236 118.0390 58.8983 28.4462 178.5730 42 A 3.9980 8.0783 120.9547 55.4045 18.4730 179.4269 43 R 3.9977 7.7633 115.9185 59.4222 30.2448 178.4030 44 I 3.9314 7.6472 118.6459 63.2003 37.2232 176.2539 45 L 4.2967 7.4462 125.3641 55.2270 42.1129 175.9049 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 4.35 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 2 M 8.05 3.85 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 3 K 8.22 4.06 0.00 1.86 1.80 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.56 7.81 4 Q 8.00 3.93 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 5 I 7.87 3.68 2.04 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 0.49 0.91 0.00 0.00 6 E 8.48 3.98 0.00 2.14 2.00 0.00 0.00 0.00 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 2.50 0.00 7 D 8.36 4.37 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 3.98 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 9 I 8.15 3.67 2.02 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 1.40 0.77 0.92 0.00 0.00 10 E 8.25 3.93 0.00 2.04 2.12 0.00 0.00 0.00 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 2.32 0.00 11 E 8.13 3.88 0.00 2.10 2.11 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 2.30 2.35 0.00 12 I 8.00 3.71 2.00 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 0.62 0.91 0.00 0.00 13 E 8.59 3.95 0.00 2.11 1.99 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 2.33 2.45 0.00 14 S 8.08 4.08 0.00 4.01 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 15 K 8.14 3.99 0.00 1.88 1.94 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 16 Q 8.42 3.95 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 17 K 8.17 4.10 0.00 1.92 1.96 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 18 K 8.00 3.98 0.00 2.03 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.67 7.81 19 I 8.14 3.69 2.03 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 1.51 0.78 0.90 0.00 0.00 20 E 8.52 3.95 0.00 2.13 1.99 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 2.32 2.50 0.00 21 N 8.27 4.35 0.00 2.92 2.85 0.00 0.00 6.66 6.96 0.00 0.00 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 8.40 3.91 0.00 2.16 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 2.29 2.38 0.00 23 I 8.09 3.65 2.01 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 1.44 0.59 0.90 0.00 0.00 24 A 7.97 3.96 1.36 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 0.00 0.00 25 R 7.98 3.84 0.00 2.02 1.96 0.00 3.37 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 26 I 7.99 3.67 1.98 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 0.79 0.88 0.00 0.00 27 K 8.20 3.91 0.00 1.91 1.81 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.56 7.81 28 K 7.90 3.79 0.00 1.93 1.75 0.00 1.75 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.38 7.81 29 L 7.90 3.84 0.00 1.70 1.60 0.87 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.18 3.85 0.00 1.85 1.78 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.08 3.71 0.00 2.07 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 1.95 1.67 0.00 32 L 7.60 3.47 0.00 1.73 1.59 0.82 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.99 3.86 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 1.24 0.00 0.00 34 V 7.90 3.60 2.24 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 1.13 0.00 0.00 1.00 0.00 0.00 35 W 8.47 4.50 0.00 3.58 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.67 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.12 3.76 2.05 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 1.54 0.77 0.94 0.00 0.00 38 K 8.27 4.33 0.00 1.99 1.88 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.58 7.81 39 Q 8.41 4.01 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 40 L 7.98 4.04 0.00 1.88 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.42 3.97 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 42 A 8.08 4.00 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.76 4.00 0.00 2.03 2.10 0.00 3.27 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 44 I 7.65 3.93 1.87 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 1.41 0.65 0.91 0.00 0.00 45 L 7.45 4.30 0.00 1.66 1.67 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00