NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2739 8.1133 117.2706 56.3307 30.3612 176.0606 11 T 3.4582 8.3288 111.8336 65.2867 68.9401 174.5311 12 G 3.7519 7.4875 110.8771 48.1467 0.0000 175.1785 13 R 4.1038 7.6655 114.5371 57.9393 29.9345 177.0367 14 F 5.1126 8.5931 117.9911 57.0217 40.1091 176.8783 15 G 3.8737 7.6391 110.1620 46.5660 0.0000 172.3868 16 P 4.6576 0.0000 0.0000 62.8488 31.6160 176.2674 17 R 4.0635 7.3021 117.7051 56.5457 31.5159 175.7448 18 Y 4.1118 8.1795 119.2421 57.6596 36.6561 170.4884 19 G 3.9584 8.0061 103.7753 44.4583 0.0000 172.9506 20 L 4.0156 8.0115 117.4647 57.6116 41.3166 179.6624 21 K 3.8611 8.0047 117.1955 59.9713 32.1827 179.0566 22 I 3.6582 7.8352 119.3502 64.6197 37.1253 178.4001 23 R 4.5424 7.8350 117.5593 58.0402 29.6393 178.8106 24 V 3.6507 8.2868 119.9448 65.8894 31.5418 177.9486 25 R 4.0952 8.1042 117.4733 58.3618 29.9849 179.0157 26 V 3.6059 7.4053 117.1043 65.6751 31.5161 177.9331 27 A 4.0062 8.0556 120.6620 55.0058 18.2540 179.3271 28 D 4.2592 8.0307 117.3629 57.5365 40.8945 179.0995 29 V 3.5399 7.7316 118.4873 66.2823 31.4987 177.9534 30 E 4.1398 8.3093 117.8019 58.8441 29.0420 179.1653 31 I 3.7502 8.0226 119.0124 63.9808 38.2446 177.7337 32 K 4.1948 8.1350 119.4440 59.5891 31.6315 178.7752 33 H 5.1811 8.3447 119.4252 58.4741 29.9166 176.5414 34 K 4.4755 8.0565 116.9894 55.3249 32.4807 177.1087 35 K 4.1812 6.9912 119.4111 55.7242 32.6270 176.9794 36 K 4.0703 8.3730 121.0127 56.8788 32.6818 176.2422 37 H 5.0294 8.1393 119.7986 53.7659 31.8115 173.5857 38 K 4.6681 8.6231 122.4708 55.7702 32.4831 176.5074 39 C 4.2812 9.1903 127.1723 59.1533 31.6611 172.0827 40 P 4.3513 0.0000 0.0000 65.7437 30.6603 177.7645 41 V 3.3186 6.9681 116.9180 64.9400 31.9722 177.7579 42 C 4.5014 7.5820 122.4091 58.5205 33.6601 173.1440 43 G 4.0847 8.4855 106.3667 45.3712 0.0000 173.8553 44 F 3.9678 8.2029 119.5619 56.8761 40.0743 175.7021 45 K 5.0646 7.8840 122.4753 55.3846 30.4017 177.1888 46 K 4.7965 7.7659 114.5994 56.1129 32.0088 177.6493 47 L 5.2544 8.1165 120.0247 53.3235 43.9969 176.7743 48 K 5.0898 9.2550 123.2327 54.1741 36.4500 175.8300 49 R 3.3565 8.6468 122.9683 56.0804 30.3656 176.3033 50 A 4.2049 8.2797 128.6399 53.2155 20.1695 177.0332 51 G 3.6868 6.6576 101.2490 46.2325 0.0000 171.9053 52 T 3.4374 8.4052 118.2643 65.2378 67.7131 174.5112 53 G 4.4636 8.5453 114.7790 46.0730 0.0000 170.8722 54 I 4.9370 6.9471 120.8211 59.2082 39.2911 174.8818 55 W 5.3912 9.2399 125.7536 55.3793 33.5921 173.9190 56 M 5.0093 9.1342 120.7176 54.5155 36.1454 173.0028 57 C 5.7583 8.4355 124.7505 57.1285 32.6191 174.9003 58 G 3.8528 9.0439 116.1570 48.5066 0.0000 173.6522 59 H 4.2898 8.1804 119.7199 58.4007 30.1730 175.5251 60 C 4.3185 8.1136 112.9008 57.7713 30.7577 174.7029 61 G 3.9220 8.7845 109.0425 44.6510 0.0000 172.7776 62 Y 4.2937 8.0070 121.6373 58.2741 39.7435 174.6332 63 K 4.8969 8.4212 128.3868 54.7774 33.6027 175.1422 64 I 4.4448 9.4575 121.2926 58.9297 41.2522 174.0499 65 A 5.0426 8.4999 124.7617 50.8225 20.2273 176.4503 66 G 4.3303 8.3810 110.2429 44.5910 0.0000 171.5685 67 G 4.0895 8.1000 109.4351 45.7308 0.0000 174.1674 68 C 4.0205 8.5796 115.7760 62.0299 28.4363 174.5412 69 Y 5.0535 7.8725 113.4504 57.6000 39.2614 174.8026 70 Q 4.5997 8.0054 118.9208 53.2454 33.2281 174.2135 71 P 2.9700 0.0000 0.0000 64.1581 31.5865 176.0474 72 E 4.8310 7.5216 116.8097 54.2539 32.8025 174.9703 73 T 4.6710 7.9538 111.2118 59.1860 71.3876 174.9395 74 V 3.5392 8.5313 122.0103 66.5556 30.8474 178.2092 75 A 4.2588 7.6762 119.9933 54.6312 18.2017 179.7909 76 G 3.6444 7.9386 103.6975 47.7490 0.0000 175.8952 77 K 4.1245 7.9785 120.1149 59.2642 31.8596 178.9503 78 A 3.9833 7.6854 119.8602 55.0912 17.8939 179.9458 79 V 3.5322 7.2188 114.7710 66.4999 31.7402 176.9462 80 M 4.0937 7.4120 116.7929 58.4997 31.3603 177.7267 81 K 3.8527 7.4988 116.2151 57.4779 32.7534 176.7642 82 A 4.1689 7.6183 128.7247 52.9338 18.1347 177.5272 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 4.27 0.00 1.98 2.08 0.00 2.93 0.00 0.00 3.33 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 11 T 8.33 3.46 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 7.49 3.75 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 0.00 0.00 0.00 13 R 7.67 4.10 0.00 1.89 1.98 0.00 2.89 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 0.00 14 F 8.59 5.11 0.00 3.42 3.22 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 0.00 15 G 7.64 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.66 0.00 2.14 2.11 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 17 R 7.30 4.06 0.00 0.70 0.66 0.00 2.83 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.31 0.00 18 Y 8.18 4.11 0.00 3.04 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 19 G 8.01 3.96 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 0.00 0.00 0.00 20 L 8.01 4.02 0.00 1.71 1.66 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.00 3.86 0.00 1.80 1.89 0.00 1.69 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 7.84 3.66 1.90 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 1.13 0.82 0.00 0.00 23 R 7.84 4.54 0.00 2.29 2.55 0.00 3.22 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.59 0.00 24 V 8.29 3.65 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 1.03 0.00 0.00 0.99 0.00 0.00 25 R 8.10 4.10 0.00 1.95 1.92 0.00 3.16 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 26 V 7.41 3.61 2.38 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 1.05 0.00 0.00 1.14 0.00 0.00 27 A 8.06 4.01 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 28 D 8.03 4.26 0.00 2.98 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.54 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 0.67 0.00 0.00 0.81 0.00 0.00 30 E 8.31 4.14 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 2.50 0.00 31 I 8.02 3.75 1.98 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 8.13 4.19 0.00 2.21 1.93 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.47 7.81 33 H 8.34 5.18 0.00 3.45 3.58 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 8.06 4.48 0.00 1.83 1.85 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.63 7.81 35 K 6.99 4.18 0.00 1.77 1.68 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.66 7.81 36 K 8.37 4.07 0.00 1.70 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 37 H 8.14 5.03 0.00 3.23 3.07 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.62 4.67 0.00 1.64 1.76 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.42 7.81 39 C 9.19 4.28 0.00 3.15 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 40 P 0.00 4.35 0.00 2.31 2.18 0.00 4.00 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 2.19 2.13 0.00 41 V 6.97 3.32 1.74 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 0.58 0.00 0.00 -0.44 0.00 0.00 42 C 7.58 4.50 0.00 3.01 2.89 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 43 G 8.49 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 44 F 8.20 3.97 0.00 2.97 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 7.88 5.06 0.00 1.58 1.77 0.00 1.63 0.00 0.00 2.30 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.15 7.81 46 K 7.77 4.80 0.00 1.82 1.86 0.00 1.90 0.00 0.00 1.90 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.76 7.81 47 L 8.12 5.25 0.00 1.81 1.77 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.25 5.09 0.00 1.70 1.70 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 49 R 8.65 3.36 0.00 0.98 1.38 0.00 2.96 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 50 A 8.28 4.20 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 51 G 6.66 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 3.44 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 1.08 0.00 0.00 53 G 8.55 4.46 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 0.00 54 I 6.95 4.94 1.66 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 0.76 0.81 0.00 0.00 55 W 9.24 5.39 0.00 3.18 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 56 M 9.13 5.01 0.00 2.07 1.83 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 2.68 2.53 0.00 57 C 8.44 5.76 0.00 3.21 2.93 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 0.00 0.00 0.00 58 G 9.04 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.29 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 8.11 4.32 0.00 3.05 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 61 G 8.78 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 62 Y 8.01 4.29 0.00 3.04 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 63 K 8.42 4.90 0.00 1.72 1.56 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.36 7.81 64 I 9.46 4.44 1.87 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 1.31 0.78 0.00 0.00 65 A 8.50 5.04 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 8.38 4.33 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 0.00 67 G 8.10 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 68 C 8.58 4.02 0.00 2.60 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 69 Y 7.87 5.05 0.00 3.13 2.87 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 0.00 0.00 0.00 70 Q 8.01 4.60 0.00 2.11 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 71 P 0.00 2.97 0.00 1.67 1.09 0.00 2.88 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 1.55 1.24 0.00 72 E 7.52 4.83 0.00 1.81 1.77 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 2.09 2.09 0.00 73 T 7.95 4.67 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 74 V 8.53 3.54 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 1.04 0.00 0.00 0.93 0.00 0.00 75 A 7.68 4.26 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 76 G 7.94 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 77 K 7.98 4.12 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.67 7.81 78 A 7.69 3.98 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 79 V 7.22 3.53 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 0.87 0.00 0.00 0.97 0.00 0.00 80 M 7.41 4.09 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 81 K 7.50 3.85 0.00 1.85 1.71 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 7.62 4.17 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