NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2649 8.1133 117.2707 56.3519 30.2799 176.2651 11 T 3.6708 8.3272 112.3250 64.8092 68.2784 174.3283 12 G 3.7926 7.5865 107.9566 47.4434 0.0000 175.5028 13 R 4.0402 7.6654 116.7541 58.6350 29.7812 177.7870 14 F 5.0053 8.2923 117.8239 58.3353 39.3013 176.5363 15 G 3.7871 8.0355 108.4221 46.5846 0.0000 172.4683 16 P 4.6980 0.0000 0.0000 62.7781 31.7024 176.1548 17 R 4.0982 7.4506 117.3645 56.7022 31.3702 175.6268 18 Y 4.0954 8.0282 117.4155 56.9596 36.5918 170.8158 19 G 4.0204 7.9793 103.3136 45.0013 0.0000 172.9888 20 L 3.9463 8.0020 117.3702 57.6293 41.3746 179.6743 21 K 3.8055 8.0150 117.1828 60.0849 32.1648 178.7978 22 I 3.6858 7.8774 119.1661 64.8471 37.1408 178.4779 23 R 4.3474 7.9172 117.3012 58.2674 29.4716 178.8438 24 V 3.6339 8.4073 119.7454 66.0876 31.4455 178.2362 25 R 3.9505 8.2251 117.7236 58.9105 29.8241 179.1948 26 V 3.5526 7.6273 118.2415 65.6159 31.4657 178.0603 27 A 3.9553 8.1550 120.6129 55.1924 18.4076 179.0521 28 D 4.3301 8.1904 117.5207 57.7371 40.9306 179.3477 29 V 3.5819 7.9695 118.5313 66.2543 31.5057 177.9481 30 E 4.1599 8.3918 117.9648 58.7739 29.0458 179.2194 31 I 3.7030 8.2760 118.8531 63.9937 38.5564 177.6071 32 K 4.1321 7.9290 118.9058 59.7932 31.6912 178.4457 33 H 5.0158 8.1809 118.5866 58.6482 29.8783 176.5029 34 K 4.4356 7.9827 116.3167 55.5311 32.4992 177.1184 35 K 4.1519 7.0826 118.8619 55.9204 32.6545 176.6772 36 K 4.1650 8.2544 120.2323 56.6922 32.8872 176.4187 37 H 5.0043 8.4984 119.5647 53.7928 32.4302 173.2368 38 K 4.4684 8.5993 121.8669 55.5380 32.3473 176.3480 39 C 4.0685 9.0033 126.8284 59.6849 31.4402 172.4068 40 P 4.3651 0.0000 0.0000 65.4564 30.7644 177.5677 41 V 3.4479 6.9227 117.7797 65.0506 32.2750 178.9379 42 C 4.5439 7.5316 120.3074 57.7261 31.7957 174.1057 43 G 4.1742 8.6434 110.0338 45.5126 0.0000 172.6807 44 F 3.9984 8.1715 118.9791 56.5934 40.1585 175.7108 45 K 4.8255 7.7515 122.7421 54.4104 29.8120 176.8432 46 K 4.8430 7.6460 117.6623 56.1417 34.1065 177.0525 47 L 5.2582 8.3008 119.3907 53.4601 43.4666 176.8392 48 K 4.9748 9.4062 122.6314 54.2298 36.6142 175.9806 49 R 3.4692 8.8466 123.6595 56.2859 30.3723 176.1703 50 A 4.2970 8.5781 128.6435 52.3177 20.2663 176.5817 51 G 3.6717 6.8411 101.8419 45.7701 0.0000 171.4025 52 T 3.6648 8.4797 116.8836 64.8447 68.2618 174.2560 53 G 4.3861 8.5511 113.9924 46.6971 0.0000 171.3340 54 I 4.8273 7.2170 120.9438 58.9583 39.6234 174.8076 55 W 5.3283 9.1883 126.4473 55.2620 33.1225 174.1806 56 M 5.6838 9.0321 120.9331 53.9769 36.1805 173.0231 57 C 5.2092 8.7586 124.4891 57.8478 32.7676 174.6292 58 G 3.8922 9.1493 116.4696 48.0186 0.0000 173.8801 59 H 4.3853 8.1244 119.9107 58.2804 30.2318 175.4999 60 C 4.2982 8.0890 112.7946 57.8204 30.5692 174.6658 61 G 3.9379 8.6488 109.4572 44.7543 0.0000 172.9486 62 Y 4.2946 8.0079 121.5626 58.3387 39.7507 174.6507 63 K 4.8800 8.4229 128.2481 54.7424 33.7015 175.0352 64 I 4.3919 9.2207 121.9160 58.9295 41.0483 174.1102 65 A 4.7750 8.4664 124.9188 51.1250 19.9528 176.8532 66 G 4.0794 8.1824 110.1268 44.6043 0.0000 171.6933 67 G 4.1148 8.4479 110.0407 45.1993 0.0000 174.1996 68 C 4.0273 8.5507 115.9312 62.0499 28.4235 174.5176 69 Y 4.9784 7.8171 113.5448 57.5695 39.0765 174.7467 70 Q 4.7408 8.0650 118.7046 53.5514 32.6232 174.0637 71 P 2.9700 0.0000 0.0000 64.1698 31.6560 176.1120 72 E 4.6966 7.5705 117.2905 54.3290 32.7220 175.0034 73 T 4.6358 8.0255 112.3637 59.5003 71.7267 175.3857 74 V 3.5835 8.3834 121.4919 66.2265 30.9072 178.0250 75 A 4.3165 8.0121 119.9399 54.4932 18.4324 179.5666 76 G 3.6535 7.9395 103.6531 47.6779 0.0000 175.8897 77 K 4.1367 7.9728 120.2862 59.2790 31.8294 179.2329 78 A 4.0637 7.6592 119.9276 54.8443 17.9292 179.9682 79 V 3.5359 7.2172 115.0877 66.4530 31.7313 176.9215 80 M 4.1069 7.3627 116.0855 58.4661 31.5189 177.7390 81 K 3.8291 7.6188 116.0012 57.4133 32.5768 176.7920 82 A 4.1696 7.2788 129.1958 52.9348 18.1182 177.6863 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 10 R 8.11 4.26 0.00 1.98 2.06 0.00 2.93 0.00 0.00 3.33 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 11 T 8.33 3.67 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 12 G 7.59 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 4.04 0.00 1.90 1.96 0.00 2.86 0.00 0.00 3.06 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.02 0.00 14 F 8.29 5.01 0.00 3.36 3.11 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 15 G 8.04 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.70 0.00 2.14 2.11 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 17 R 7.45 4.10 0.00 0.83 0.66 0.00 2.88 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.33 0.00 18 Y 8.03 4.10 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.98 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 20 L 8.00 3.95 0.00 1.71 1.68 0.93 0.87 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 21 K 8.02 3.81 0.00 1.80 1.89 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 22 I 7.88 3.69 2.03 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 1.63 1.31 0.79 0.00 0.00 23 R 7.92 4.35 0.00 2.28 2.55 0.00 3.25 0.00 0.00 3.53 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.59 0.00 24 V 8.41 3.63 2.19 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 1.11 0.00 0.00 0.99 0.00 0.00 25 R 8.23 3.95 0.00 1.89 1.93 0.00 3.16 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 26 V 7.63 3.55 2.41 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 1.11 0.00 0.00 1.11 0.00 0.00 27 A 8.15 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.19 4.33 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 3.58 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 0.60 0.00 0.00 0.84 0.00 0.00 30 E 8.39 4.16 0.00 2.13 2.04 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 2.35 2.52 0.00 31 I 8.28 3.70 1.96 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 1.54 0.76 1.01 0.00 0.00 32 K 7.93 4.13 0.00 2.21 1.96 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.49 7.81 33 H 8.18 5.02 0.00 3.45 3.63 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.98 4.44 0.00 1.84 1.86 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.62 7.81 35 K 7.08 4.15 0.00 1.86 1.66 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.70 7.81 36 K 8.25 4.17 0.00 1.70 1.71 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.43 7.81 37 H 8.50 5.00 0.00 3.03 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.60 4.47 0.00 1.63 1.77 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.41 7.81 39 C 9.00 4.07 0.00 3.07 3.06 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 40 P 0.00 4.37 0.00 2.27 2.15 0.00 4.00 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 2.16 2.11 0.00 41 V 6.92 3.45 1.63 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 0.62 0.00 0.00 -0.45 0.00 0.00 42 C 7.53 4.54 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.64 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 4.00 0.00 3.01 3.01 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 45 K 7.75 4.83 0.00 1.55 1.74 0.00 1.62 0.00 0.00 2.29 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.14 7.81 46 K 7.65 4.84 0.00 1.82 1.85 0.00 1.93 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.73 7.81 47 L 8.30 5.26 0.00 1.72 1.79 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.41 4.97 0.00 1.69 1.70 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 49 R 8.85 3.47 0.00 1.08 1.43 0.00 2.97 0.00 0.00 2.94 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 50 A 8.58 4.30 1.16 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 0.00 0.00 0.00 51 G 6.84 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.48 3.66 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 1.06 0.00 0.00 53 G 8.55 4.39 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 0.00 54 I 7.22 4.83 1.67 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.10 0.82 0.00 0.00 55 W 9.19 5.33 0.00 3.20 3.10 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 56 M 9.03 5.68 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.42 0.00 57 C 8.76 5.21 0.00 3.22 2.94 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 0.00 0.00 0.00 58 G 9.15 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.12 4.39 0.00 3.07 3.33 0.00 5.91 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.09 4.30 0.00 3.08 2.96 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 0.00 0.00 0.00 61 G 8.65 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.01 4.29 0.00 3.04 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 63 K 8.42 4.88 0.00 1.71 1.55 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.36 7.81 64 I 9.22 4.39 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.97 0.86 0.00 0.00 65 A 8.47 4.78 1.25 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 0.00 0.00 0.00 66 G 8.18 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 67 G 8.45 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 0.00 0.00 0.00 68 C 8.55 4.03 0.00 2.35 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.82 4.98 0.00 3.11 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.06 4.74 0.00 2.13 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 71 P 0.00 2.97 0.00 1.61 0.82 0.00 2.98 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.19 0.00 72 E 7.57 4.70 0.00 1.81 1.78 0.00 0.00 0.00 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 2.10 0.00 73 T 8.03 4.64 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 1.23 0.00 0.00 74 V 8.38 3.58 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 75 A 8.01 4.32 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 76 G 7.94 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.97 4.14 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.61 7.81 78 A 7.66 4.06 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 79 V 7.22 3.54 2.25 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 0.87 0.00 0.00 0.96 0.00 0.00 80 M 7.36 4.11 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 81 K 7.62 3.83 0.00 1.86 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.60 7.81 82 A 7.28 4.17 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00