NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.3145 0.0000 0.0000 62.6242 33.1996 177.8604 17 S 3.5894 7.9763 112.4965 58.7717 59.8084 171.1188 18 R 4.3547 8.8950 119.3047 56.7486 32.9870 178.0429 19 K 4.1087 8.3731 118.1945 56.7897 30.6877 178.2441 20 A 4.5296 8.7934 127.1962 52.0008 22.9686 176.5155 21 K 4.6388 8.3056 118.4869 54.7493 33.2618 178.2514 22 V 3.3969 8.1150 124.7034 65.7526 31.6351 177.3731 23 K 4.3309 8.2260 119.5434 59.3755 31.9175 177.7935 24 A 4.1912 7.9649 120.6546 54.7913 18.6040 178.2882 25 T 4.4091 7.8400 112.1507 63.0646 68.1949 173.8600 26 L 4.4293 7.1611 120.3475 55.1768 44.0839 175.4911 27 G 4.1399 8.4584 115.0932 45.8607 0.0000 173.5606 28 E 4.4272 8.5896 122.9030 55.4938 31.2596 175.7503 29 F 4.7032 7.3056 112.1764 56.0462 40.2533 173.9583 30 D 4.5409 8.5814 122.7427 53.3852 39.8290 176.5152 31 L 4.4738 8.4454 127.2378 57.4399 41.7791 178.6188 32 R 4.1863 7.9716 115.4713 56.0752 30.6449 175.5718 33 D 4.4500 8.5080 118.5916 54.3491 40.0594 175.8281 34 Y 4.4230 8.1580 124.2638 57.9587 38.5706 176.3574 35 R 4.3454 7.1723 118.1795 56.4922 32.0393 176.2589 36 N 4.6335 7.5149 118.4212 52.4033 37.5647 175.2423 37 V 3.5619 7.7845 123.3179 67.3356 31.8165 175.7256 38 E 3.7280 8.5020 113.8901 60.9419 29.1910 179.1680 39 V 3.6280 7.6461 119.0444 65.0310 31.5667 178.4946 40 L 4.1221 8.1402 119.9175 57.5260 41.7179 179.3648 41 K 3.4369 8.6652 119.0745 60.0799 31.9776 178.3145 42 R 3.9773 7.4460 118.1516 57.9179 30.1942 176.5181 43 F 4.5811 9.0841 117.3395 57.5249 39.4958 175.0910 44 L 5.0834 7.4625 120.8698 52.8147 43.6481 177.0840 45 S 4.5442 8.3712 115.9239 57.5037 64.9557 173.4259 46 E 4.0536 8.8650 118.6588 59.8853 29.4483 177.9410 47 T 4.4354 7.4088 114.3428 62.0026 69.7385 176.0251 48 G 3.7977 8.7404 111.6694 46.9933 0.0000 173.8301 49 K 4.1565 8.3393 120.8407 56.2706 33.3799 176.4614 50 I 4.1996 8.2708 124.9822 60.8762 37.4192 176.0090 51 L 4.2684 8.4622 128.2902 54.4763 42.3006 175.8789 52 P 4.6328 0.0000 0.0000 61.8844 32.8504 177.2708 53 R 4.5233 8.5419 117.7494 58.9378 30.1105 179.2941 54 R 4.0611 8.1108 115.4846 58.4847 30.3904 177.2881 55 R 4.5659 8.3851 115.8817 56.6443 32.1468 177.4643 56 T 4.2405 8.0314 106.6648 61.8436 69.4126 175.5923 57 G 4.0793 8.0761 109.5533 46.3738 0.0000 173.8005 58 L 4.5972 7.4253 118.8467 53.5405 43.6363 175.8940 59 S 4.8392 7.9385 113.1045 56.7027 65.3490 175.2943 60 G 3.9144 8.5137 110.2244 49.0393 0.0000 175.6520 61 K 4.0455 8.2078 121.1654 58.8496 32.2502 178.4753 62 E 3.9227 8.1701 118.7267 59.6967 29.5801 179.0479 63 Q 3.8401 8.6198 119.6590 59.4510 28.4687 178.7749 64 R 3.9731 7.7298 119.5415 58.7920 30.0017 178.3175 65 I 3.6860 7.8523 120.0086 63.4925 37.3963 177.5220 66 L 3.7851 7.8967 120.6001 58.3031 41.7896 178.3325 67 A 3.8998 7.6738 119.7746 55.7891 18.0315 179.9367 68 K 3.9733 7.4186 114.8291 59.5380 32.3631 179.7683 69 T 4.0308 8.2084 116.7091 66.6233 68.3846 176.4212 70 I 3.7641 8.1240 121.9931 64.8234 37.1095 178.6144 71 K 3.7667 7.9155 118.5544 59.1956 31.7242 179.8115 72 R 3.7643 8.1215 118.5363 59.2591 30.0306 178.7433 73 A 4.1152 8.0471 119.9979 55.1907 18.2134 179.6276 74 R 4.5270 7.9886 118.0185 59.1124 29.8774 179.2445 75 I 3.9436 7.2178 117.8653 64.5306 37.2453 178.2507 76 L 4.2544 7.7617 118.1115 55.9490 41.3841 178.2099 77 G 4.0221 8.2141 107.1424 45.6960 0.0000 174.2561 78 L 4.3608 8.2743 121.4923 55.4294 42.6395 177.2725 79 L 4.8371 7.4764 117.3570 51.7534 44.5795 174.2607 80 P 4.9066 0.0000 0.0000 62.9362 32.0256 176.3352 81 F 4.3506 8.8714 117.6898 59.3077 39.7027 175.9439 82 T 4.4366 7.3258 111.3216 61.3680 69.6701 171.5535 83 E 4.8274 8.5019 124.6519 54.3518 33.5207 175.2491 84 K 4.2586 8.3350 119.7193 55.1051 33.1328 176.8087 85 L 4.0646 8.3746 125.6800 54.6452 41.5904 176.0771 86 V 3.9934 7.9988 126.7277 62.7047 33.1779 174.0711 87 R 4.1808 9.3630 121.7294 56.5095 28.0173 175.0662 88 K 4.1854 8.8393 126.6745 57.8249 32.8683 175.6927 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 16 P 0.00 4.31 0.00 2.19 2.25 0.00 3.88 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 1.89 2.00 0.00 17 S 7.98 3.59 0.00 4.13 4.11 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 0.00 0.00 0.00 18 R 8.90 4.35 0.00 1.80 1.97 0.00 3.38 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 19 K 8.37 4.11 0.00 1.73 1.43 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 20 A 8.79 4.53 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.64 0.00 1.89 1.78 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.59 7.81 22 V 8.11 3.40 1.81 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 -0.60 0.00 0.00 0.77 0.00 0.00 23 K 8.23 4.33 0.00 2.13 1.94 0.00 2.00 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.60 7.81 24 A 7.96 4.19 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 T 7.84 4.41 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 26 L 7.16 4.43 0.00 1.72 1.57 1.22 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.46 4.14 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 0.00 28 E 8.59 4.43 0.00 2.01 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 2.26 2.31 0.00 29 F 7.31 4.70 0.00 3.13 3.07 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 30 D 8.58 4.54 0.00 2.81 2.68 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 0.00 0.00 0.00 0.00 31 L 8.45 4.47 0.00 1.67 1.77 0.84 1.06 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 32 R 7.97 4.19 0.00 1.79 1.97 0.00 3.08 0.00 0.00 3.84 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 33 D 8.51 4.45 0.00 2.92 2.64 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 34 Y 8.16 4.42 0.00 3.10 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 35 R 7.17 4.35 0.00 1.54 1.89 0.00 3.15 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 0.00 36 N 7.51 4.63 0.00 3.21 2.71 0.00 0.00 6.64 7.59 0.00 0.00 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 7.78 3.56 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 0.84 0.00 0.00 0.98 0.00 0.00 38 E 8.50 3.73 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 39 V 7.65 3.63 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 0.89 0.00 0.00 0.39 0.00 0.00 40 L 8.14 4.12 0.00 1.90 1.77 0.98 0.67 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 41 K 8.67 3.44 0.00 1.91 2.10 0.00 1.30 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.81 1.43 7.81 42 R 7.45 3.98 0.00 1.67 1.77 0.00 3.08 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.49 0.00 43 F 9.08 4.58 0.00 3.18 2.99 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 44 L 7.46 5.08 0.00 1.67 1.58 0.91 0.80 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 45 S 8.37 4.54 0.00 3.97 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.87 4.05 0.00 1.96 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 2.40 0.00 47 T 7.41 4.44 4.26 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 0.00 0.00 0.00 1.29 0.00 0.00 48 G 8.74 3.80 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 0.00 0.00 0.00 49 K 8.34 4.16 0.00 1.71 1.76 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.45 7.81 50 I 8.27 4.20 1.87 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 1.33 0.44 0.91 0.00 0.00 51 L 8.46 4.27 0.00 1.79 1.69 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.63 0.00 2.24 2.18 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 53 R 8.54 4.52 0.00 1.91 2.06 0.00 3.59 0.00 0.00 3.38 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.64 0.00 54 R 8.11 4.06 0.00 1.81 2.04 0.00 3.16 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 55 R 8.39 4.57 0.00 1.79 1.92 0.00 3.28 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 56 T 8.03 4.24 4.68 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 0.00 0.00 0.00 1.56 0.00 0.00 57 G 8.08 4.08 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 0.00 0.00 0.00 58 L 7.43 4.60 0.00 1.73 1.73 0.76 0.97 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 59 S 7.94 4.84 0.00 3.91 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 60 G 8.51 3.91 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 0.00 0.00 0.00 61 K 8.21 4.05 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 8.17 3.92 0.00 2.25 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 2.28 2.30 0.00 63 Q 8.62 3.84 0.00 2.10 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 64 R 7.73 3.97 0.00 2.07 2.05 0.00 3.12 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 65 I 7.85 3.69 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 1.39 0.64 0.91 0.00 0.00 66 L 7.90 3.79 0.00 1.50 1.71 0.43 0.51 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 67 A 7.67 3.90 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 68 K 7.42 3.97 0.00 1.63 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.45 7.81 69 T 8.21 4.03 4.38 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 1.33 0.00 0.00 70 I 8.12 3.76 1.81 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 1.50 0.75 0.83 0.00 0.00 71 K 7.92 3.77 0.00 1.90 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.55 7.81 72 R 8.12 3.76 0.00 2.02 1.69 0.00 3.00 0.00 0.00 2.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.68 0.00 73 A 8.05 4.12 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 74 R 7.99 4.53 0.00 1.59 0.67 0.00 2.74 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 75 I 7.22 3.94 2.01 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 1.69 0.71 0.97 0.00 0.00 76 L 7.76 4.25 0.00 1.89 1.80 1.15 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.21 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 0.00 0.00 0.00 78 L 8.27 4.36 0.00 1.76 1.75 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.48 4.84 0.00 1.60 1.46 0.91 1.05 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 80 P 0.00 4.91 0.00 2.24 2.11 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 81 F 8.87 4.35 0.00 2.96 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 82 T 7.33 4.44 4.32 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 1.27 0.00 0.00 83 E 8.50 4.83 0.00 1.98 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 2.27 2.34 0.00 84 K 8.33 4.26 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 85 L 8.37 4.06 0.00 1.59 1.62 0.92 0.97 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 86 V 8.00 3.99 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 0.86 0.00 0.00 0.93 0.00 0.00 87 R 9.36 4.18 0.00 1.91 1.89 0.00 3.48 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 1.45 1.39 0.00 88 K 8.84 4.19 0.00 1.91 1.86 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.42 7.81