NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4858 8.1627 118.3262 55.3391 33.5996 173.1231 2 Q 4.8418 8.2599 119.1546 52.4058 31.6137 172.4905 3 I 4.6757 8.7000 118.6381 59.0935 42.3784 173.2800 4 F 5.1875 8.4842 121.2756 55.7291 41.9851 174.6399 5 V 4.6842 8.9847 123.9570 61.1309 33.5976 174.0245 6 K 4.8831 8.9396 130.0487 54.4836 33.8786 174.7924 7 T 4.6730 8.4940 122.3688 62.0408 67.8295 175.9875 8 L 4.7451 8.3865 117.4409 54.4237 43.7462 177.5276 9 T 3.9889 7.9360 107.5209 62.7798 69.1420 175.5803 10 G 3.9491 8.3354 109.9862 45.0727 0.0000 174.3591 11 K 4.2537 7.4052 121.2303 55.4731 30.5832 174.7182 12 T 4.4599 7.9263 118.9003 62.8921 69.4905 173.5330 13 I 4.7504 9.0549 120.1991 59.2258 40.5292 175.3699 14 T 4.4987 8.4739 114.3605 61.7700 69.8523 173.0123 15 L 4.5040 7.7598 121.8493 54.3053 46.2942 173.5973 16 E 5.0962 8.4632 121.2873 54.8325 32.6976 175.3511 17 V 4.6012 8.4517 116.5904 60.3880 36.7784 173.7471 18 E 4.6106 9.6453 121.3830 54.2157 31.7869 176.0830 19 P 4.2463 0.0000 0.0000 65.6947 31.5514 178.5818 20 S 4.4011 7.8934 110.1025 59.2158 63.5314 173.9656 21 D 4.4271 7.8170 123.4756 54.3545 40.8438 176.4009 22 T 4.4966 8.2798 114.5960 61.3599 71.2768 175.7276 23 I 3.7519 8.0931 122.5504 64.4162 36.9987 178.3678 24 E 3.9449 8.1989 119.8024 59.4464 29.3538 178.2914 25 N 4.4040 7.8621 115.5708 56.1246 38.9789 177.2395 26 V 3.6000 7.4063 119.7983 65.8957 31.7032 178.1562 27 K 4.4639 8.2265 118.9278 58.9158 31.6811 179.2115 28 A 4.0577 7.9068 120.8158 54.9125 18.3096 179.8542 29 K 3.9650 7.7543 117.4008 59.5324 32.0329 179.6884 30 I 3.7258 7.7915 120.2930 64.1258 36.9088 178.0530 31 Q 3.9669 8.0652 120.5490 59.4397 28.6413 178.2237 32 D 4.3664 7.7841 118.9968 56.3482 40.8512 177.8837 33 K 4.4516 7.4131 114.7695 56.9313 34.2748 177.0287 34 E 4.4452 8.5802 119.0605 54.9189 30.6903 175.4411 35 G 3.7813 8.3417 106.4982 46.8265 0.0000 173.6840 36 I 4.4800 7.6142 119.3296 58.1217 40.1669 174.0337 37 P 4.2976 0.0000 0.0000 62.3143 31.9608 175.5995 38 P 4.2202 0.0000 0.0000 65.7768 31.3511 177.6768 39 D 4.5912 8.0535 114.6471 54.7195 39.8478 176.3175 40 Q 4.5904 8.3981 119.0190 55.8711 30.4122 174.4964 41 Q 4.8882 8.0392 119.8029 53.9963 31.6328 174.4890 42 R 4.8265 9.1173 124.2339 54.5239 33.0309 173.9265 43 L 5.2438 8.5272 125.8694 53.1317 44.6806 175.4478 44 I 5.1466 8.6111 122.9955 59.6816 41.3300 174.2932 45 F 5.2742 8.8957 126.6777 57.9209 42.8544 174.9189 46 A 3.2861 9.1285 125.5825 51.8883 16.7471 177.4173 47 G 4.0091 8.0233 102.7148 45.4988 0.0000 174.9283 48 K 4.2412 8.1610 120.1091 55.7539 32.9472 175.9411 49 Q 4.4674 8.3914 123.6043 55.9854 29.9734 174.7537 50 L 4.3055 8.1786 125.5235 53.1095 43.4272 175.7126 51 E 4.5289 9.6312 124.9358 54.5137 31.6794 176.6071 52 D 5.1486 8.6619 124.8860 54.7422 40.7250 177.8009 53 G 3.9635 8.0320 107.4559 46.5638 0.0000 174.1867 54 R 4.2054 7.6452 118.3572 55.9225 30.7194 175.3277 55 T 4.9569 8.5820 109.9748 59.8982 71.3610 175.6508 56 L 3.9616 8.2567 120.9984 58.0498 41.5088 180.0412 57 S 4.2440 8.0110 113.4196 61.0136 62.6408 176.2351 58 D 4.2329 7.4064 121.0623 57.6082 40.7404 177.7273 59 Y 4.4386 7.1410 113.1183 57.3255 39.2221 175.4616 60 N 4.1769 7.5341 116.5283 54.3435 37.3423 172.0715 61 I 4.2200 8.1197 119.2291 59.2593 38.9518 175.8747 62 Q 4.6108 7.9262 123.9751 53.4787 31.2051 174.9540 63 R 4.0596 8.2503 115.2851 57.8041 29.7700 176.1764 64 E 3.9976 9.5539 120.0687 57.4773 27.7986 174.5909 65 S 4.6409 7.5686 114.6059 58.6368 64.3627 173.3141 66 T 4.7640 8.6570 120.0001 62.5259 69.7195 174.0873 67 L 5.0115 8.7964 125.9667 53.3752 44.9589 174.9718 68 H 5.1548 8.8808 119.4693 54.0553 31.2409 173.3705 69 L 5.1896 8.6261 124.9397 53.2557 44.1536 175.4361 70 V 4.4349 8.8664 126.6200 61.1390 33.9013 174.1050 71 L 4.9718 8.4620 127.4493 53.7493 43.2497 177.1935 72 R 4.2386 9.0646 123.7358 55.4857 28.7240 175.6554 73 L 4.4231 8.4086 123.2105 54.9288 43.5159 177.2636 74 R 4.5352 7.8379 117.1804 54.2458 31.9575 175.4230 75 G 3.9042 8.4827 113.6172 44.5016 0.0000 173.8474 76 G 3.9900 8.5887 107.0572 45.5728 0.0000 173.5715 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 8.16 4.49 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 2 Q 8.26 4.84 0.00 2.07 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 1.79 2.38 0.00 3 I 8.70 4.68 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.65 0.78 0.00 0.00 4 F 8.48 5.19 0.00 2.99 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 5 V 8.98 4.68 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 0.81 0.00 0.00 0.92 0.00 0.00 6 K 8.94 4.88 0.00 1.88 1.68 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.38 7.81 7 T 8.49 4.67 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 1.28 0.00 0.00 8 L 8.39 4.75 0.00 1.56 1.70 0.93 0.92 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 9 T 7.94 3.99 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 10 G 8.34 3.95 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 0.00 0.00 0.00 11 K 7.41 4.25 0.00 1.74 1.76 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.47 7.81 12 T 7.93 4.46 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 1.32 0.00 0.00 13 I 9.05 4.75 1.90 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 1.40 1.32 1.05 0.00 0.00 14 T 8.47 4.50 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 1.34 0.00 0.00 15 L 7.76 4.50 0.00 1.68 1.37 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.46 5.10 0.00 1.78 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 0.00 2.12 2.24 0.00 17 V 8.45 4.60 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 0.62 0.00 0.00 0.86 0.00 0.00 18 E 9.65 4.61 0.00 1.81 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 19 P 0.00 4.25 0.00 2.16 2.08 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.89 4.40 0.00 3.96 3.97 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 21 D 7.82 4.43 0.00 2.95 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 22 T 8.28 4.50 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 1.21 0.00 0.00 23 I 8.09 3.75 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.94 0.00 0.00 24 E 8.20 3.94 0.00 2.04 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 2.38 2.38 0.00 25 N 7.86 4.40 0.00 2.95 2.88 0.00 0.00 6.87 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 26 V 7.41 3.60 2.22 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 0.95 0.00 0.00 1.00 0.00 0.00 27 K 8.23 4.46 0.00 2.02 1.89 0.00 1.90 0.00 0.00 1.95 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.51 7.81 28 A 7.91 4.06 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 29 K 7.75 3.97 0.00 1.96 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.62 7.81 30 I 7.79 3.73 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.94 0.91 0.00 0.00 31 Q 8.07 3.97 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 32 D 7.78 4.37 0.00 2.80 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 33 K 7.41 4.45 0.00 1.94 1.89 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 34 E 8.58 4.45 0.00 2.06 1.99 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 2.24 2.34 0.00 35 G 8.34 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.61 4.48 1.87 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 0.72 0.91 0.00 0.00 37 P 0.00 4.30 0.00 2.30 1.99 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 38 P 0.00 4.22 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.05 4.59 0.00 2.79 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 40 Q 8.40 4.59 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 41 Q 8.04 4.89 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 42 R 9.12 4.83 0.00 1.82 1.84 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.53 5.24 0.00 1.59 1.50 0.91 0.82 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 44 I 8.61 5.15 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.34 0.99 0.00 0.00 45 F 8.90 5.27 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 46 A 9.13 3.29 0.94 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 47 G 8.02 4.01 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 0.00 0.00 0.00 48 K 8.16 4.24 0.00 1.93 1.71 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.39 7.81 49 Q 8.39 4.47 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 L 8.18 4.31 0.00 1.46 1.31 0.78 -0.10 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 51 E 9.63 4.53 0.00 2.13 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 2.31 2.33 0.00 52 D 8.66 5.15 0.00 2.73 2.69 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 53 G 8.03 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 54 R 7.65 4.21 0.00 1.93 1.69 0.00 3.08 0.00 0.00 2.84 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 55 T 8.58 4.96 4.40 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 1.25 0.00 0.00 56 L 8.26 3.96 0.00 1.83 1.73 0.90 1.25 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 57 S 8.01 4.24 0.00 4.05 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 58 D 7.41 4.23 0.00 2.63 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 0.00 0.00 0.00 0.00 59 Y 7.14 4.44 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.53 4.18 0.00 2.89 2.89 0.00 0.00 7.02 7.90 0.00 0.00 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 I 8.12 4.22 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.62 0.46 0.00 0.00 62 Q 7.93 4.61 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 63 R 8.25 4.06 0.00 1.90 1.91 0.00 3.17 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 64 E 9.55 4.00 0.00 2.09 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 0.00 2.42 2.80 0.00 65 S 7.57 4.64 0.00 3.71 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.66 4.76 4.30 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 1.21 0.00 0.00 67 L 8.80 5.01 0.00 1.56 1.54 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.88 5.15 0.00 3.12 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.63 5.19 0.00 1.63 1.70 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.87 4.43 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 0.98 0.00 0.00 0.94 0.00 0.00 71 L 8.46 4.97 0.00 1.57 1.57 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.06 4.24 0.00 1.65 1.91 0.00 3.31 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.41 4.42 0.00 1.62 1.70 0.92 0.91 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 74 R 7.84 4.54 0.00 1.72 1.78 0.00 3.27 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 75 G 8.48 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 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 0.00 0.00 0.00