NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3895 8.3049 120.3310 54.8235 33.4297 175.2969 2 K 3.7344 8.6372 122.5484 58.6748 32.2712 176.2039 3 A 3.9623 8.4812 121.3608 51.7275 19.9926 176.4104 4 I 4.0136 7.8342 119.9444 60.2874 38.1219 176.5868 5 F 4.2306 8.5496 123.0902 57.4332 40.0179 178.1516 6 V 4.0665 8.1534 125.1145 60.8333 31.2209 175.4984 7 L 4.0745 8.5666 121.4686 55.5550 42.7368 176.5109 8 N 5.0622 8.4907 121.1407 51.6076 41.6888 174.3083 9 A 4.6005 8.3531 122.1717 52.4858 18.9389 179.5308 10 Q 4.0082 7.6092 117.9772 60.1620 28.4695 177.3454 11 H 4.0043 7.8109 115.6609 58.6566 30.2523 174.6490 12 D 4.5659 7.7405 112.3704 53.7839 45.6053 175.2170 13 E 4.2444 8.5299 116.5523 56.7734 29.3705 178.8983 14 A 3.9138 7.6503 124.3707 54.5301 17.7602 178.8914 15 V 3.9826 7.5825 115.9507 61.8982 31.1085 175.8615 16 D 4.5419 8.5636 127.4354 56.3513 41.2400 177.7215 17 A 3.9593 7.9197 121.2959 55.1698 18.4546 178.7989 18 N 4.2578 8.1527 115.2799 56.8407 39.0478 177.0608 19 S 4.1397 7.5670 112.5198 61.3257 63.1419 176.4162 20 L 3.9267 8.2345 122.7355 57.3766 41.3757 179.3135 21 A 3.9638 8.0346 120.5344 55.2533 18.3231 179.2923 22 E 3.8657 8.2765 117.5579 59.3017 29.7044 178.7807 23 A 3.9552 8.4566 121.2381 55.2218 18.3666 179.8464 24 K 3.9535 8.1884 116.9809 59.4123 32.2332 179.8866 25 V 3.5484 8.2047 119.0051 66.0220 31.2713 178.1450 26 L 3.9744 8.4077 117.6985 57.7121 41.6083 179.0855 27 A 4.1099 8.1482 120.8143 55.0634 18.3323 179.1205 28 N 4.2128 8.4185 115.8432 56.9068 38.8900 177.2368 29 R 3.8569 7.8490 119.1267 59.2713 30.1433 178.7946 30 E 3.4222 7.7530 118.4257 59.1646 29.4065 179.4958 31 L 3.8123 7.4771 118.4412 57.6229 41.5565 178.7634 32 D 4.2802 7.7261 116.9048 57.3500 41.2176 178.2258 33 K 4.0867 7.7046 118.0249 59.6475 32.0831 178.7312 34 Y 4.5523 7.0736 116.2936 59.1773 37.9155 177.0049 35 G 3.8647 8.6946 107.0595 45.8098 0.0000 173.6895 36 V 3.9539 7.5432 119.2358 61.4161 32.4871 175.0143 37 S 4.4364 8.5608 115.1954 57.9185 62.8916 174.3273 38 D 4.5067 8.7335 124.1609 56.8451 40.8669 177.9061 39 Y 3.9029 7.7946 120.4313 61.1463 38.8031 177.5301 40 Y 4.0376 7.8485 116.7588 61.0086 38.0714 178.8705 41 K 4.0065 8.1295 118.8684 59.5912 32.0252 178.9139 42 N 4.2464 7.9787 115.6453 56.1669 38.7119 176.8004 43 L 3.8480 7.7869 122.0747 58.1280 42.1154 179.0707 44 I 3.6960 7.6927 119.7409 64.4110 36.8059 177.7188 45 N 4.4206 7.6810 116.4281 56.2931 38.7410 175.3284 46 N 4.7427 7.7251 115.3113 52.0517 39.2871 174.4391 47 A 3.9817 7.8154 123.3989 53.0641 18.7463 177.7474 48 K 4.0863 8.7567 125.0185 59.2205 32.7959 177.0940 49 T 4.7272 7.3985 110.3952 59.1591 72.0218 174.3387 50 V 3.5855 8.2602 123.3224 66.0022 31.5587 177.4749 51 E 4.0200 8.3897 118.7712 59.5928 29.2548 179.0833 52 G 3.6323 8.0324 105.0044 47.3843 0.0000 175.8311 53 V 3.6130 7.5210 120.4612 65.8208 31.6452 178.3491 54 K 4.0031 8.2323 118.4466 59.9817 32.5330 179.0225 55 A 4.1061 8.0517 122.1090 54.6437 18.2652 179.4149 56 L 4.1798 8.3631 119.4400 58.3766 42.1123 179.3205 57 I 3.8132 7.8422 119.9345 64.2790 37.0677 177.9192 58 D 4.2822 8.7131 119.6491 57.2220 41.0029 178.1472 59 E 4.0688 8.7713 118.6678 59.4748 29.1601 179.2584 60 I 3.7108 7.8648 120.8313 64.0384 36.9439 178.4348 61 L 3.9183 8.3709 119.2140 57.7055 41.5254 179.1562 62 A 4.0890 8.2682 120.0040 54.7871 18.3289 179.1345 63 A 4.0417 7.8922 119.0765 54.4170 18.8479 178.5419 64 L 4.0850 6.8392 115.4682 53.7028 42.3945 175.5249 65 P 4.3872 0.0000 0.0000 63.2248 31.0948 176.1681 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 M 8.30 4.39 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 2 K 8.64 3.73 0.00 1.82 1.82 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 A 8.48 3.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.83 4.01 1.86 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 1.42 0.56 0.98 0.00 0.00 5 F 8.55 4.23 0.00 3.19 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 6 V 8.15 4.07 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 0.82 0.00 0.00 0.95 0.00 0.00 7 L 8.57 4.07 0.00 1.64 1.64 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.49 5.06 0.00 2.77 2.61 0.00 0.00 7.03 7.65 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 9 A 8.35 4.60 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 10 Q 7.61 4.01 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 11 H 7.81 4.00 0.00 3.07 3.33 0.00 5.96 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.74 4.57 0.00 2.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 4.24 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 2.37 2.29 0.00 14 A 7.65 3.91 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 15 V 7.58 3.98 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 0.91 0.00 0.00 0.94 0.00 0.00 16 D 8.56 4.54 0.00 2.75 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 17 A 7.92 3.96 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 N 8.15 4.26 0.00 2.76 2.82 0.00 0.00 6.92 7.63 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 19 S 7.57 4.14 0.00 4.09 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 20 L 8.23 3.93 0.00 1.84 1.75 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.03 3.96 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 22 E 8.28 3.87 0.00 2.12 1.95 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 2.30 2.32 0.00 23 A 8.46 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.19 3.95 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.62 7.81 25 V 8.20 3.55 2.23 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 0.97 0.00 0.00 0.97 0.00 0.00 26 L 8.41 3.97 0.00 1.66 1.70 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.15 4.11 1.38 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 0.00 0.00 28 N 8.42 4.21 0.00 2.83 2.93 0.00 0.00 7.20 8.38 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 29 R 7.85 3.86 0.00 2.02 1.89 0.00 3.30 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 30 E 7.75 3.42 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 31 L 7.48 3.81 0.00 1.76 1.72 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.73 4.28 0.00 2.62 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 4.09 0.00 1.54 1.84 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.52 7.81 34 Y 7.07 4.55 0.00 3.06 2.88 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 0.00 0.00 0.00 35 G 8.69 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 36 V 7.54 3.95 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 0.50 0.00 0.00 1.08 0.00 0.00 37 S 8.56 4.44 0.00 4.08 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 38 D 8.73 4.51 0.00 2.79 2.70 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 Y 7.79 3.90 0.00 2.98 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 40 Y 7.85 4.04 0.00 3.18 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 41 K 8.13 4.01 0.00 2.16 1.85 0.00 1.84 0.00 0.00 1.99 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.60 7.81 42 N 7.98 4.25 0.00 2.55 2.69 0.00 0.00 6.97 7.41 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 43 L 7.79 3.85 0.00 1.24 1.73 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.69 3.70 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.70 0.91 0.00 0.00 45 N 7.68 4.42 0.00 2.68 2.95 0.00 0.00 7.12 7.37 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 46 N 7.73 4.74 0.00 2.69 2.84 0.00 0.00 7.14 7.49 0.00 0.00 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 A 7.82 3.98 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 48 K 8.76 4.09 0.00 1.73 1.85 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81 49 T 7.40 4.73 4.24 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 1.27 0.00 0.00 50 V 8.26 3.59 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 0.93 0.00 0.00 0.93 0.00 0.00 51 E 8.39 4.02 0.00 2.07 1.95 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 2.39 2.40 0.00 52 G 8.03 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 53 V 7.52 3.61 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 1.00 0.00 0.00 1.01 0.00 0.00 54 K 8.23 4.00 0.00 2.04 2.06 0.00 1.37 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.46 7.81 55 A 8.05 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.36 4.18 0.00 1.83 1.76 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.84 3.81 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.99 1.05 0.00 0.00 58 D 8.71 4.28 0.00 2.74 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.77 4.07 0.00 2.20 2.31 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 2.54 2.39 0.00 60 I 7.86 3.71 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.69 0.00 0.00 61 L 8.37 3.92 0.00 1.65 1.67 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.27 4.09 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 63 A 7.89 4.04 1.38 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 0.00 0.00 64 L 6.84 4.09 0.00 1.71 1.54 0.77 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.39 0.00 2.15 2.02 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00