NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1421 8.3101 121.7874 56.4505 34.0583 175.3976 20 A 4.1986 7.2608 114.8987 49.9247 19.7254 173.1239 21 K 4.3947 8.0553 120.9355 56.2647 34.9569 176.2571 22 V 3.5562 8.0567 122.6827 65.3307 31.2069 178.1770 23 K 4.1541 7.5983 118.6795 59.5753 32.1412 178.3054 24 A 4.1974 7.8834 119.2482 55.3417 18.5645 179.1802 25 T 3.8844 7.4543 112.2231 64.9072 68.8407 174.6039 26 L 4.7363 6.8927 119.0798 52.5542 44.2361 178.2590 27 G 4.0550 8.3939 115.7542 45.2187 0.0000 172.8793 28 E 4.1288 8.8274 125.0869 55.9779 30.2470 176.6312 29 F 4.8183 7.8361 119.5731 55.5187 40.4303 173.6498 30 D 4.3928 8.7341 123.5393 53.7637 40.0954 176.2916 31 L 4.4347 8.1551 126.2485 56.6157 40.9205 177.6414 32 R 4.1984 8.1256 119.3450 57.2059 30.5867 175.8312 33 D 4.3648 7.4534 116.7330 54.1174 41.8172 175.2277 34 Y 4.7437 7.2877 119.6632 56.8422 38.7010 176.1684 35 R 4.5586 7.4509 117.8652 56.3974 32.3892 176.4959 36 N 4.7627 7.7899 117.6970 51.8091 36.0081 176.1178 37 V 3.6626 7.7059 115.0557 65.1762 31.8741 177.9315 38 E 3.8912 8.0888 117.7389 59.2466 29.8132 178.6135 39 V 3.6300 7.6879 117.5096 66.2044 31.7954 177.9031 40 L 4.2998 7.9049 118.0531 57.5727 40.9014 179.4630 41 K 4.0735 8.3668 119.8334 59.2671 31.8718 178.8925 42 R 3.9290 7.8427 117.3852 58.2771 30.0184 178.1193 43 F 4.4736 8.0259 117.5944 59.2726 38.8515 177.1711 44 L 4.6809 7.7669 116.3884 53.4145 41.8503 177.9883 45 S 3.8396 7.4675 113.5756 59.6928 63.4784 172.7272 46 E 4.8292 8.1428 112.1572 55.8627 29.5903 176.5864 47 T 4.5664 7.7819 105.4471 61.1134 72.0978 175.1991 48 G 4.0144 7.9356 110.3138 45.2292 0.0000 174.2959 49 K 3.9775 7.4239 119.0686 56.1913 32.3887 176.4859 50 I 3.9280 8.2186 124.2898 60.8136 36.0845 175.5070 51 L 3.9096 8.5190 125.0292 54.3347 41.9930 176.0856 52 P 4.4959 0.0000 0.0000 62.4564 31.7130 176.9440 53 R 4.1844 8.4114 117.2943 58.5244 30.1109 177.1858 54 R 4.5326 7.8694 115.5125 56.7906 30.0951 176.5849 55 R 4.5370 7.8622 116.8761 58.1420 33.6858 177.7186 56 T 3.9503 7.9335 108.2098 62.6781 69.1228 174.6580 57 G 3.6372 7.6654 108.7908 46.6950 0.0000 173.0453 58 L 4.7431 7.6990 117.3211 52.5314 44.4618 177.0465 59 S 4.4191 8.5662 114.5222 57.5196 64.2320 174.8595 60 A 3.9736 8.3975 125.6694 55.2720 17.7715 179.8802 61 K 3.9079 7.9964 117.4789 59.4664 32.3547 178.7804 62 E 3.8378 7.9516 118.7197 59.2419 29.5689 178.7177 63 Q 3.9795 8.5170 120.0987 59.1133 28.9897 178.4395 64 R 3.8602 7.7812 119.5172 59.3099 30.3633 179.1174 65 I 3.6654 7.3522 112.4168 64.0953 37.3317 177.3471 66 L 3.8178 7.9000 122.1768 57.9462 41.8255 178.6387 67 A 3.9270 8.2102 120.7850 54.8788 18.2071 179.1625 68 K 3.8031 8.2196 119.0109 60.2494 32.2837 179.0863 69 T 3.9645 7.9782 109.4442 64.5338 68.6466 176.3415 70 I 3.6263 7.7412 122.9343 64.4025 37.1827 178.2429 71 K 3.7674 8.2433 119.3344 59.4704 31.8867 179.3396 72 R 3.7888 7.6982 118.0428 59.4173 29.8906 178.8427 73 A 4.0131 8.0500 120.1272 55.4128 18.1734 179.8420 74 R 4.6713 7.6183 116.6456 58.8491 30.0623 179.1465 75 I 4.1407 7.6769 119.8132 64.2321 36.9765 177.7147 76 L 4.3468 7.6277 115.9470 55.0927 41.3614 178.2713 77 G 4.0553 7.8524 108.4960 45.5027 0.0000 174.6288 78 L 3.8783 6.7008 118.9186 58.0641 42.3234 177.2700 79 L 4.1433 7.6686 118.2090 54.2303 42.7816 175.6472 80 P 4.8608 0.0000 0.0000 62.6886 32.1699 176.2027 81 F 4.3376 8.6457 117.5010 59.7883 39.9037 176.8044 82 T 4.6613 7.3566 112.4705 62.5664 72.0033 172.9247 83 E 4.8468 8.4485 121.6455 53.9541 32.6769 175.8037 84 K 4.0021 8.7712 120.6158 56.5655 32.9672 176.5076 85 L 3.9438 8.4827 126.0171 54.9366 42.1950 177.1833 86 V 3.8175 8.2248 119.6151 60.4868 32.2712 175.5619 87 R 3.7771 8.5024 120.2323 57.0787 29.9522 176.0258 88 K 4.1704 8.6274 122.9907 57.1627 32.8828 176.6023 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 19 K 8.31 4.14 0.00 1.71 1.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 20 A 7.26 4.20 1.20 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 0.00 0.00 21 K 8.06 4.39 0.00 1.78 1.75 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.44 7.81 22 V 8.06 3.56 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 -0.04 0.00 0.00 0.73 0.00 0.00 23 K 7.60 4.15 0.00 2.00 1.89 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.58 7.81 24 A 7.88 4.20 1.31 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 0.00 0.00 0.00 25 T 7.45 3.88 4.13 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 1.13 0.00 0.00 26 L 6.89 4.74 0.00 1.60 1.35 0.45 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.39 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 4.13 0.00 1.96 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 2.28 2.25 0.00 29 F 7.84 4.82 0.00 3.15 2.97 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 0.00 30 D 8.73 4.39 0.00 2.76 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 31 L 8.16 4.43 0.00 1.85 1.76 0.86 0.49 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 32 R 8.13 4.20 0.00 1.78 2.03 0.00 3.23 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 33 D 7.45 4.36 0.00 2.78 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.29 4.74 0.00 3.02 3.03 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 35 R 7.45 4.56 0.00 1.87 2.01 0.00 3.22 0.00 0.00 3.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 36 N 7.79 4.76 0.00 2.89 3.01 0.00 0.00 6.23 7.68 0.00 0.00 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 V 7.71 3.66 2.10 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 0.87 0.00 0.00 0.95 0.00 0.00 38 E 8.09 3.89 0.00 1.93 1.96 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 0.00 2.27 2.41 0.00 39 V 7.69 3.63 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 0.73 0.00 0.00 0.83 0.00 0.00 40 L 7.90 4.30 0.00 1.81 1.74 0.99 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.37 4.07 0.00 2.04 1.93 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 42 R 7.84 3.93 0.00 1.71 1.36 0.00 3.07 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 43 F 8.03 4.47 0.00 3.27 3.08 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 0.00 0.00 0.00 44 L 7.77 4.68 0.00 1.94 1.68 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.47 3.84 0.00 4.04 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 46 E 8.14 4.83 0.00 1.89 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 2.21 2.33 0.00 47 T 7.78 4.57 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48 G 7.94 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 0.00 0.00 0.00 0.00 49 K 7.42 3.98 0.00 1.89 1.76 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.57 7.81 50 I 8.22 3.93 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.91 0.00 0.00 51 L 8.52 3.91 0.00 1.81 1.69 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.50 0.00 2.23 2.22 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 53 R 8.41 4.18 0.00 1.89 1.98 0.00 3.18 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 54 R 7.87 4.53 0.00 1.83 1.93 0.00 3.27 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 55 R 7.86 4.54 0.00 1.93 1.87 0.00 3.29 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 56 T 7.93 3.95 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 1.52 0.00 0.00 57 G 7.67 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.70 4.74 0.00 1.89 1.66 1.13 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.57 4.42 0.00 3.91 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 60 A 8.40 3.97 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 61 K 8.00 3.91 0.00 1.82 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 7.95 3.84 0.00 2.26 1.97 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 2.37 2.35 0.00 63 Q 8.52 3.98 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 64 R 7.78 3.86 0.00 1.84 1.94 0.00 3.18 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 65 I 7.35 3.67 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.61 0.90 0.00 0.00 66 L 7.90 3.82 0.00 1.79 1.73 0.32 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.21 3.93 1.30 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 0.00 0.00 0.00 68 K 8.22 3.80 0.00 2.03 1.97 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 69 T 7.98 3.96 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 70 I 7.74 3.63 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.76 0.83 0.00 0.00 71 K 8.24 3.77 0.00 1.87 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.66 7.81 72 R 7.70 3.79 0.00 2.00 1.77 0.00 3.20 0.00 0.00 2.98 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 73 A 8.05 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.62 4.67 0.00 1.52 1.11 0.00 2.89 0.00 0.00 2.68 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 75 I 7.68 4.14 2.06 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 1.66 1.01 0.93 0.00 0.00 76 L 7.63 4.35 0.00 1.75 1.71 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.85 4.06 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 0.00 0.00 0.00 78 L 6.70 3.88 0.00 1.66 1.63 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.67 4.14 0.00 1.74 1.52 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.86 0.00 2.07 2.05 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 81 F 8.65 4.34 0.00 2.96 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 82 T 7.36 4.66 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 1.25 0.00 0.00 83 E 8.45 4.85 0.00 1.97 1.90 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 2.10 2.26 0.00 84 K 8.77 4.00 0.00 1.67 1.81 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 85 L 8.48 3.94 0.00 1.59 1.60 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.22 3.82 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 0.73 0.00 0.00 0.93 0.00 0.00 87 R 8.50 3.78 0.00 1.76 1.89 0.00 3.39 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 88 K 8.63 4.17 0.00 1.90 1.77 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.43 7.81