NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 D 4.6097 8.3649 120.5322 53.8918 41.8683 175.5548 25 N 4.6599 9.0582 120.8046 52.8865 40.0249 173.5541 26 I 3.8083 8.4684 121.7673 61.5881 38.5090 175.0344 27 Q 4.7698 8.5855 123.2664 54.1695 31.8454 175.5217 28 G 4.0905 8.5974 106.4734 45.1862 0.0000 173.1462 29 I 4.5559 7.4701 119.3306 58.6038 40.8867 175.2632 30 T 4.4166 8.2617 117.6892 60.4444 71.9228 176.0184 31 K 4.0929 8.2651 120.7870 59.1825 32.1465 177.6564 32 P 4.2855 0.0000 0.0000 66.1094 30.8125 177.9624 33 A 4.0067 8.0722 120.2863 55.1049 18.1696 179.7518 34 I 3.7241 7.8424 118.2136 64.6407 37.2741 178.8198 35 R 3.9377 8.1439 118.4330 59.2700 29.9122 179.1889 36 R 3.9044 8.0136 117.7667 59.3127 30.1184 179.1298 37 L 3.9897 7.9946 118.5133 57.5724 41.6038 179.3878 38 A 3.9341 8.2418 121.0001 55.2097 18.3084 179.5567 39 R 3.8093 8.3568 117.5059 59.7379 29.9273 178.7453 40 R 4.0021 8.3406 117.6196 58.7902 30.1471 177.7673 41 G 3.8597 7.8899 103.3645 44.7960 0.0000 174.3283 42 G 3.8775 7.9913 109.2074 45.2001 0.0000 173.7044 43 V 3.8046 7.4162 119.6493 62.0700 32.1931 176.0511 44 K 4.1332 8.7235 128.6379 58.7741 32.4850 176.8096 45 R 4.7805 7.5127 114.1605 54.4760 34.1062 174.4143 46 I 4.5451 7.8795 119.4732 59.2677 41.1103 175.5195 47 S 4.1913 8.5201 119.3998 57.8592 62.6393 175.0532 48 G 3.9798 8.8562 115.5953 48.7821 0.0000 174.9645 49 L 3.9852 8.3032 118.9857 56.3540 42.0954 179.0103 50 I 3.8634 7.8664 120.7924 63.8408 36.8798 177.8262 51 Y 4.1254 7.1485 117.7318 61.0640 37.7253 177.9973 52 E 3.9844 8.2924 119.6864 59.3873 29.7255 178.3292 53 E 3.9437 7.8530 118.0267 59.4173 29.6003 178.8836 54 T 3.8355 8.3847 116.1926 66.8152 68.5134 176.7801 55 R 4.0546 8.1584 120.0492 59.2707 30.1671 179.4518 56 G 3.5797 8.3589 105.5847 47.7663 0.0000 175.8885 57 V 3.6547 8.0716 121.0468 65.7495 31.4925 177.9327 58 L 4.0719 8.2898 120.4312 57.6870 41.8639 178.7332 59 K 3.9013 8.3378 120.0122 59.6665 32.0623 178.7116 60 V 3.5667 7.8648 118.1217 65.8469 31.5762 177.3826 61 F 4.0576 8.2585 120.2105 61.5913 39.1887 177.3814 62 L 3.8754 8.1696 118.1258 58.0385 41.4252 178.9752 63 E 3.9150 8.5322 118.5632 60.0981 29.5560 179.3060 64 N 4.2580 8.4770 116.1493 56.2344 38.5096 177.8146 65 V 3.5609 7.4305 119.2967 65.8334 31.6574 178.0980 66 I 3.6483 7.8533 119.8620 64.3138 36.7346 178.1313 67 R 3.8795 7.9822 118.4965 59.9247 29.8063 178.0209 68 D 4.4999 7.7701 116.7142 57.2283 40.4437 178.6461 69 A 4.2313 8.4290 121.7969 54.8802 18.2560 179.8117 70 V 3.6755 8.1190 117.4299 66.1398 31.4002 178.1964 71 T 3.8243 7.5758 114.5035 67.1454 68.0585 176.1296 72 Y 3.9153 8.0674 117.4529 60.7156 37.8529 178.5640 73 T 3.9104 7.6412 115.8131 66.4714 68.8582 176.7117 74 E 3.9239 8.4379 121.5244 59.4615 29.5689 177.9459 75 H 4.2045 8.4442 116.6525 57.6361 30.1618 175.1998 76 A 4.6199 7.2966 121.1505 51.9743 19.0439 178.2374 77 K 3.9632 7.8248 117.7310 58.5007 31.2599 176.8645 78 R 4.3757 7.8364 117.6741 55.6000 30.9180 176.1663 79 K 4.4306 8.4354 116.7015 56.6813 33.9057 176.7599 80 T 4.4370 7.7034 115.4526 61.5267 69.8974 174.0789 81 V 3.9021 8.2568 126.5985 62.2709 31.9238 175.8988 82 T 4.2474 8.4110 123.7447 62.6325 69.7542 175.6353 83 A 4.0152 8.7988 124.7710 55.9499 18.1281 179.9490 84 M 4.1823 8.0023 113.8815 57.8314 31.0546 178.1413 85 D 4.3025 7.7722 120.9187 57.3811 40.9776 178.6645 86 V 3.6821 7.6657 118.3115 65.5268 31.5890 177.8073 87 V 3.4794 7.5569 117.6742 66.6123 31.1973 177.7888 88 Y 3.7380 7.6737 115.9497 60.6712 37.3628 178.1336 89 A 4.0542 7.3802 119.8711 55.1681 18.6663 179.4935 90 L 4.0453 8.3262 117.6646 58.0142 41.5905 179.6892 91 K 3.7616 8.0234 117.3389 59.3559 31.9189 178.4784 92 R 4.2421 7.7351 117.4939 57.7260 29.9889 177.5936 93 Q 3.8574 8.0051 116.4930 56.9191 29.1017 174.8597 94 G 3.9248 7.7050 110.0288 45.8106 0.0000 172.9990 95 R 4.4872 8.3197 123.0422 54.7184 31.7768 175.6708 96 T 4.2345 8.2975 119.7007 61.9918 69.6814 174.1510 97 L 4.4474 7.8653 125.2183 53.2366 44.7187 175.4859 98 Y 4.5432 7.7834 115.6283 57.3581 38.5601 176.3696 99 G 3.7428 6.8251 107.7057 45.6837 0.0000 174.3349 100 F 4.5483 8.7510 118.3731 57.7101 39.5803 175.1060 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 24 D 8.36 4.61 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.06 4.66 0.00 2.77 2.82 0.00 0.00 6.85 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.47 3.81 1.88 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 1.42 0.47 0.92 0.00 0.00 27 Q 8.59 4.77 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.25 0.00 28 G 8.60 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.47 4.56 1.89 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 1.50 1.01 0.95 0.00 0.00 30 T 8.26 4.42 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 31 K 8.27 4.09 0.00 1.57 1.31 0.00 0.61 0.00 0.00 1.43 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.14 7.81 32 P 0.00 4.29 0.00 2.26 2.33 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 33 A 8.07 4.01 1.43 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 0.00 0.00 0.00 34 I 7.84 3.72 2.29 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.89 0.92 0.00 0.00 35 R 8.14 3.94 0.00 2.06 2.02 0.00 3.20 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 36 R 8.01 3.90 0.00 2.15 1.98 0.00 3.13 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 37 L 7.99 3.99 0.00 1.84 1.69 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.24 3.93 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 39 R 8.36 3.81 0.00 1.96 2.13 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 40 R 8.34 4.00 0.00 1.93 2.01 0.00 3.29 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 41 G 7.89 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 42 G 7.99 3.88 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 0.00 0.00 0.00 43 V 7.42 3.80 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 0.76 0.00 0.00 0.92 0.00 0.00 44 K 8.72 4.13 0.00 1.74 1.79 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.44 7.81 45 R 7.51 4.78 0.00 1.75 1.72 0.00 3.19 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 46 I 7.88 4.55 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.51 0.59 0.00 0.00 47 S 8.52 4.19 0.00 3.81 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.86 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.30 3.99 0.00 1.69 1.71 0.92 0.70 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 50 I 7.87 3.86 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.31 0.64 0.00 0.00 51 Y 7.15 4.13 0.00 2.92 2.95 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 0.00 0.00 0.00 52 E 8.29 3.98 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 53 E 7.85 3.94 0.00 2.19 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 2.29 2.39 0.00 54 T 8.38 3.84 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 1.21 0.00 0.00 55 R 8.16 4.05 0.00 2.06 2.14 0.00 3.31 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 56 G 8.36 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.07 3.65 2.34 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 0.98 0.00 0.00 0.94 0.00 0.00 58 L 8.29 4.07 0.00 1.80 1.85 1.02 0.49 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 59 K 8.34 3.90 0.00 1.93 2.03 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.62 7.81 60 V 7.86 3.57 2.15 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 1.06 0.00 0.00 1.06 0.00 0.00 61 F 8.26 4.06 0.00 3.17 3.09 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 0.00 0.00 0.00 0.00 62 L 8.17 3.88 0.00 2.07 1.73 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.53 3.92 0.00 2.25 2.01 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 2.34 2.39 0.00 64 N 8.48 4.26 0.00 2.82 2.81 0.00 0.00 6.80 8.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.43 3.56 1.79 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 0.97 0.00 0.00 0.17 0.00 0.00 66 I 7.85 3.65 1.93 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 0.58 0.91 0.00 0.00 67 R 7.98 3.88 0.00 1.76 2.05 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 68 D 7.77 4.50 0.00 3.03 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 3.68 2.27 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 1.13 0.00 0.00 1.02 0.00 0.00 71 T 7.58 3.82 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 0.98 0.00 0.00 72 Y 8.07 3.92 0.00 3.01 3.02 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 73 T 7.64 3.91 4.28 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 1.27 0.00 0.00 74 E 8.44 3.92 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 2.31 0.00 75 H 8.44 4.20 0.00 3.16 3.18 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.30 4.62 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 77 K 7.82 3.96 0.00 1.96 1.98 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.36 7.81 78 R 7.84 4.38 0.00 1.82 1.88 0.00 3.14 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 1.80 0.00 79 K 8.44 4.43 0.00 1.72 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 80 T 7.70 4.44 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 81 V 8.26 3.90 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 0.82 0.00 0.00 0.95 0.00 0.00 82 T 8.41 4.25 4.34 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 1.22 0.00 0.00 83 A 8.80 4.02 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 84 M 8.00 4.18 0.00 2.27 2.37 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 2.67 2.64 0.00 85 D 7.77 4.30 0.00 2.92 2.79 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 86 V 7.67 3.68 2.21 0.00 0.00 0.00 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 87 V 7.56 3.48 2.17 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 0.84 0.00 0.00 0.95 0.00 0.00 88 Y 7.67 3.74 0.00 2.70 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.38 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.33 4.05 0.00 1.81 1.71 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.02 3.76 0.00 1.66 1.80 0.00 1.08 0.00 0.00 0.70 0.00 0.00 2.72 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.29 1.28 7.81 92 R 7.74 4.24 0.00 1.98 2.27 0.00 3.18 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 93 Q 8.01 3.86 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.18 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 94 G 7.71 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 0.00 0.00 0.00 95 R 8.32 4.49 0.00 1.76 1.82 0.00 3.17 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 96 T 8.30 4.23 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 0.80 0.00 0.00 97 L 7.87 4.45 0.00 1.39 1.40 0.86 0.81 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 98 Y 7.78 4.54 0.00 2.90 2.91 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 99 G 6.83 3.74 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 0.00 0.00 0.00 100 F 8.75 4.55 0.00 3.04 2.86 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