NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9951 8.2127 109.7474 45.3764 0.0000 175.7263 2 R 3.5829 7.9912 119.8483 58.7621 29.8572 176.4185 3 D 4.5850 8.4884 118.9225 57.6096 41.2931 177.4114 4 Y 4.1197 7.7012 119.5346 60.8854 38.8177 178.4920 5 R 3.7804 8.0332 118.4221 59.3996 30.1607 178.9324 6 T 3.9290 8.0033 115.6250 66.6695 68.3350 175.6244 7 C 3.5918 7.8600 120.5201 59.6161 40.2011 175.6979 8 L 3.7230 7.5284 120.2838 57.9712 41.1189 179.7012 9 T 3.7325 7.7547 115.6126 66.6529 68.2879 176.8254 10 I 3.8023 7.9406 121.8917 64.2222 37.1314 178.4505 11 V 3.5722 7.9291 119.3589 66.1861 31.0957 177.7434 12 Q 3.9433 7.6940 117.5315 59.1739 29.0205 178.1985 13 K 4.1142 8.1473 119.3354 59.6154 32.2476 179.4155 14 L 4.0598 8.2997 119.5092 57.7009 41.2775 179.7447 15 K 4.0701 8.0292 117.6153 58.8650 32.0063 178.7915 16 K 4.2519 7.6548 117.2578 58.2050 32.3552 178.4356 17 M 4.2572 7.7080 117.9590 56.0867 32.2334 176.6191 18 V 4.4252 7.0337 110.5004 59.3899 34.8162 174.2428 19 D 4.2017 8.3801 121.6663 55.6714 40.4076 176.8323 20 K 4.0318 8.5102 117.6969 55.2447 33.4723 174.3287 21 P 4.4666 0.0000 0.0000 62.5179 30.8720 175.6801 22 T 4.7042 8.4433 113.9621 58.8132 73.1139 174.2596 23 Q 3.9315 8.5781 120.9972 59.5235 28.8374 178.5859 24 R 3.8670 7.9002 119.0742 59.4108 30.3383 178.4207 25 S 4.1181 7.7900 114.2449 61.5120 62.9518 176.6252 26 V 3.6023 8.0471 122.3095 65.6829 31.1679 178.1553 27 S 4.1344 8.1023 114.9487 61.6762 62.4306 176.4590 28 N 4.3342 8.1312 117.9207 56.3359 38.6241 177.0334 29 A 4.1304 8.1816 121.9182 55.0830 18.2207 179.5551 30 A 4.0761 8.0444 118.8917 55.1835 18.4950 179.5324 31 T 4.0303 7.6631 107.4324 64.0107 69.2824 176.1939 32 R 4.4160 7.9038 120.6470 57.1396 30.6880 178.6757 33 V 3.6952 7.7661 118.2576 64.9490 31.1206 178.2191 34 C 4.5398 8.1460 115.3354 57.7024 40.2211 174.5027 35 R 4.2477 8.0068 118.3397 56.4413 30.0995 176.0862 36 T 4.4481 8.2922 114.9511 61.6030 69.9098 173.6494 37 G 4.2033 8.6929 111.6295 43.3321 0.0000 173.3729 38 R 4.3164 8.3451 119.2691 55.2801 32.2272 177.7693 39 S 4.1096 8.5617 113.7178 61.5622 62.2397 175.9526 40 R 3.8999 8.0326 120.8856 59.3270 29.8540 178.1409 41 W 4.3039 8.2257 127.4994 60.5693 30.7173 177.7005 42 R 3.8681 8.1097 119.3910 58.5207 29.4273 178.5405 43 D 4.1598 8.0787 117.4595 57.3348 41.3416 178.2158 44 V 3.4900 7.6660 118.7676 66.1354 31.3486 177.0816 45 C 3.6405 7.4532 118.2370 59.4193 44.2862 175.4601 46 R 3.7644 7.8127 120.3150 59.6119 29.1856 178.2204 47 N 4.3307 8.3072 116.3782 56.0468 38.4462 177.1805 48 F 4.1855 8.2954 122.0560 61.7946 39.5804 177.1668 49 M 4.1501 8.5596 118.5933 58.3839 31.4887 178.6764 50 R 3.8370 7.8715 118.1250 59.3789 30.2139 178.4651 51 R 3.8100 7.1563 116.3259 58.0711 30.4537 176.8850 52 Y 4.6491 7.5453 113.3392 56.9348 39.6379 177.2103 53 Q 4.0948 8.3056 120.6063 59.6071 28.3086 179.1632 54 S 4.0933 8.0254 115.4205 61.3478 62.9684 176.4377 55 R 3.9459 7.9221 122.0876 58.7633 29.8103 178.5794 56 V 3.6488 7.8206 117.6546 66.1115 31.6125 177.8958 57 I 3.7108 8.0238 119.6788 64.3900 36.9688 177.9614 58 Q 4.0725 8.1916 120.5291 59.3724 28.8327 179.0029 59 G 3.6080 8.2595 106.4539 47.7683 0.0000 175.6661 60 L 4.0220 8.0868 121.6844 57.6020 41.4471 179.8318 61 V 3.7972 7.8405 116.8260 65.7735 31.5434 177.2467 62 A 4.2790 7.9229 118.3630 51.9883 18.4309 177.5262 63 G 3.8543 7.9128 105.0919 46.3107 0.0000 174.3419 64 E 4.2987 8.0039 118.9142 55.6790 30.2579 177.1960 65 T 4.0460 8.6572 112.2045 61.2305 70.9538 175.5059 66 A 3.9509 8.5062 123.5080 55.7183 17.8413 180.0899 67 Q 4.0434 8.0450 115.8249 59.1616 28.6029 178.9305 68 Q 4.0500 7.8495 118.0258 59.0238 28.8554 178.4850 69 I 4.1053 7.6576 120.9726 63.7743 37.5535 177.0398 70 C 4.7027 8.1345 114.8283 56.9978 40.3386 175.0549 71 E 3.9472 7.9289 122.4281 59.5648 28.9662 178.4509 72 D 4.4716 8.1717 116.9951 56.6226 41.0648 176.9180 73 L 4.3677 7.8186 117.3091 55.0971 42.3486 176.6483 74 R 3.0221 7.6319 124.0147 56.1246 29.8113 175.7956 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 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 3.58 0.00 2.04 2.03 0.00 3.27 0.00 0.00 3.43 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 3 D 8.49 4.59 0.00 2.85 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 7.70 4.12 0.00 3.21 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 5 R 8.03 3.78 0.00 2.04 1.93 0.00 3.20 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 6 T 8.00 3.93 4.04 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 0.84 0.00 0.00 7 C 7.86 3.59 0.00 3.02 3.08 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 8 L 7.53 3.72 0.00 1.61 1.50 0.51 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.75 3.73 4.35 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 0.74 0.00 0.00 10 I 7.94 3.80 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.02 0.99 0.00 0.00 11 V 7.93 3.57 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.99 0.00 0.00 12 Q 7.69 3.94 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 13 K 8.15 4.11 0.00 2.05 1.89 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.65 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.58 7.81 14 L 8.30 4.06 0.00 1.83 1.74 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.03 4.07 0.00 1.74 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.67 7.81 16 K 7.65 4.25 0.00 1.67 1.85 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.62 7.81 17 M 7.71 4.26 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.59 0.00 18 V 7.03 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 0.83 0.00 0.00 1.01 0.00 0.00 19 D 8.38 4.20 0.00 2.61 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.51 4.03 0.00 1.76 1.71 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 21 P 0.00 4.47 0.00 2.37 2.09 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 22 T 8.44 4.70 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 23 Q 8.58 3.93 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 24 R 7.90 3.87 0.00 1.92 1.91 0.00 3.24 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 25 S 7.79 4.12 0.00 4.04 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 26 V 8.05 3.60 2.18 0.00 0.00 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 1.01 0.00 0.00 27 S 8.10 4.13 0.00 3.98 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 28 N 8.13 4.33 0.00 2.93 2.89 0.00 0.00 7.04 6.93 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 29 A 8.18 4.13 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 30 A 8.04 4.08 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.66 4.03 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 1.30 0.00 0.00 32 R 7.90 4.42 0.00 2.03 2.02 0.00 3.15 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 33 V 7.77 3.70 2.14 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 1.02 0.00 0.00 1.05 0.00 0.00 34 C 8.15 4.54 0.00 2.95 2.98 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 35 R 8.01 4.25 0.00 1.98 1.98 0.00 3.13 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 36 T 8.29 4.45 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 1.26 0.00 0.00 37 G 8.69 4.20 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 0.00 0.00 0.00 38 R 8.35 4.32 0.00 1.94 1.93 0.00 3.17 0.00 0.00 3.29 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 39 S 8.56 4.11 0.00 3.90 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 40 R 8.03 3.90 0.00 1.97 2.00 0.00 3.28 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 1.80 1.75 0.00 41 W 8.23 4.30 0.00 3.44 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 42 R 8.11 3.87 0.00 2.01 1.94 0.00 3.20 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 43 D 8.08 4.16 0.00 2.90 2.81 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 0.00 0.00 0.00 0.00 44 V 7.67 3.49 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 0.93 0.00 0.00 1.01 0.00 0.00 45 C 7.45 3.64 0.00 1.23 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 3.76 0.00 1.87 1.99 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 47 N 8.31 4.33 0.00 2.78 2.85 0.00 0.00 6.69 8.09 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 48 F 8.30 4.19 0.00 3.19 3.21 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 0.00 0.00 0.00 0.00 49 M 8.56 4.15 0.00 2.11 2.15 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 2.70 3.01 0.00 50 R 7.87 3.84 0.00 1.76 1.99 0.00 3.21 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 51 R 7.16 3.81 0.00 1.19 0.73 0.00 3.15 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.42 0.00 52 Y 7.55 4.65 0.00 2.14 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.31 4.09 0.00 2.30 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.37 0.00 54 S 8.03 4.09 0.00 4.08 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 55 R 7.92 3.95 0.00 1.99 2.17 0.00 3.18 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 56 V 7.82 3.65 2.32 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 1.19 0.00 0.00 1.22 0.00 0.00 57 I 8.02 3.71 1.90 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 1.44 0.55 0.93 0.00 0.00 58 Q 8.19 4.07 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 59 G 8.26 3.61 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 0.00 0.00 0.00 60 L 8.09 4.02 0.00 1.73 1.75 0.98 0.71 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 61 V 7.84 3.80 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 0.81 0.00 0.00 0.98 0.00 0.00 62 A 7.92 4.28 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 63 G 7.91 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 64 E 8.00 4.30 0.00 2.21 1.90 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 2.34 2.26 0.00 65 T 8.66 4.05 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 66 A 8.51 3.95 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 67 Q 8.04 4.04 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 68 Q 7.85 4.05 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 69 I 7.66 4.11 2.02 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 1.36 0.96 0.00 0.00 70 C 8.13 4.70 0.00 3.02 3.08 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 71 E 7.93 3.95 0.00 2.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 72 D 8.17 4.47 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.82 4.37 0.00 1.98 1.81 0.59 0.57 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 74 R 7.63 3.02 0.00 1.30 1.62 0.00 3.12 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00