NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4585 8.1633 118.3244 55.3201 33.4211 173.7279 2 Q 4.8756 8.2037 118.3527 52.8268 31.1529 173.2771 3 I 4.5673 8.9646 116.1376 59.2074 42.1172 173.5863 4 F 5.4458 8.9214 121.7459 55.8570 42.3921 174.8086 5 V 4.8215 8.9397 121.1536 61.1469 34.7937 174.4357 6 K 4.8236 8.9916 128.4104 56.0486 33.4534 177.6227 7 T 4.6362 9.1771 116.4391 60.2311 70.4720 175.3936 8 L 3.9580 8.4773 120.7666 57.8999 41.4982 178.5567 9 T 4.1719 7.6096 106.5468 61.7274 69.2063 175.6884 10 G 3.9426 8.1440 111.4661 45.0226 0.0000 173.9744 11 K 4.1377 7.6257 120.5716 56.6122 32.8547 175.1147 12 T 5.1069 8.2955 119.6473 61.7603 70.3503 173.8447 13 I 4.6866 8.9622 120.2193 59.3889 40.9509 174.4425 14 T 5.1293 8.5059 119.5965 61.9148 70.9527 173.6145 15 L 4.7885 8.8017 125.2217 52.8247 45.7688 175.0673 16 E 4.9130 8.6539 122.9583 54.9931 30.6466 175.1140 17 V 4.7131 8.8695 119.7419 60.0693 36.5188 174.2638 18 E 4.7567 9.6563 120.3293 53.9560 32.4109 176.2616 19 P 4.1434 0.0000 0.0000 65.4418 31.5649 178.0485 20 S 4.6027 7.8669 110.0584 58.2786 63.7394 174.0337 21 D 4.4757 8.1323 123.2482 54.6084 41.3486 176.1689 22 T 4.7348 8.1639 113.3310 61.0921 71.4284 175.9747 23 I 3.7066 8.3622 122.9316 64.5628 37.0632 178.7014 24 E 3.9562 8.1447 118.9617 59.4479 29.3867 178.8791 25 N 4.3075 8.0118 116.4131 56.3078 38.6320 177.5154 26 V 3.5582 7.8444 119.4572 66.1211 31.6235 178.1893 27 K 4.3263 8.6211 119.4948 58.8349 31.8228 179.1835 28 A 3.9974 8.0354 121.0984 55.1439 18.1987 179.8618 29 K 3.9682 8.0759 116.9849 59.5997 32.0340 179.7290 30 I 3.7531 7.8495 120.3007 64.1990 36.9029 178.1931 31 Q 4.0392 8.1660 120.5420 59.2864 28.6646 177.9268 32 D 4.3492 7.8922 118.8066 57.3361 40.9463 178.5161 33 K 4.2043 7.7211 117.0652 58.1778 32.5946 177.9913 34 E 4.4346 8.8998 117.7512 55.5401 30.4416 176.8682 35 G 3.8749 8.2789 106.4333 45.2048 0.0000 172.8260 36 I 4.1220 7.3239 120.0469 58.7542 38.8906 173.5743 37 P 4.3767 0.0000 0.0000 62.1575 32.1225 175.3467 38 P 4.2243 0.0000 0.0000 65.9324 31.3222 177.7292 39 D 4.5969 8.0580 113.6510 54.3525 39.6276 176.1944 40 Q 4.5923 8.3225 118.4433 56.0390 30.5469 175.0122 41 Q 4.8531 7.9968 119.4499 54.5375 31.3475 174.8803 42 R 4.6654 8.5610 121.7240 54.8409 33.5321 173.5464 43 L 5.1625 8.5573 126.1948 53.2248 44.3821 175.4740 44 I 5.0467 8.7499 123.4603 59.4651 41.0176 174.3129 45 F 5.1217 9.1282 128.1808 56.5661 42.3701 174.6169 46 A 3.5125 9.2979 130.3785 53.1881 15.7447 177.8138 47 G 3.8632 8.2675 109.3367 46.8346 0.0000 174.4243 48 K 4.5017 7.8760 122.7244 52.5731 33.2733 180.7925 49 Q 4.6300 8.5421 125.9013 55.0405 29.6640 175.3188 50 L 3.7535 8.8449 127.7591 54.4450 42.3285 176.2161 51 E 4.7571 9.4127 123.6753 54.4432 31.9155 175.7490 52 D 4.4469 8.6238 123.1231 55.9015 41.4422 177.1124 53 G 3.9997 9.9861 111.4867 45.1972 0.0000 173.4675 54 R 4.7457 7.6769 118.4166 54.4966 33.0464 175.1350 55 T 5.0040 8.5197 110.1485 59.7143 71.4366 175.9137 56 L 4.0672 8.5225 121.6600 57.9405 41.8542 180.3334 57 S 4.2029 8.3179 113.2615 61.1214 63.0244 176.2062 58 D 4.2570 7.6911 120.6307 56.7466 39.9990 176.6572 59 Y 4.5493 8.1274 114.9684 57.1084 38.2101 175.4636 60 N 4.1503 8.1471 116.8988 54.5467 37.8747 173.9415 61 I 3.5991 7.1831 114.5794 60.4852 37.4546 175.4975 62 Q 4.6680 8.6266 125.0899 52.9901 31.7904 174.4878 63 K 3.9781 8.4930 118.9349 58.8146 32.0979 176.0457 64 E 3.6808 9.3592 124.6377 57.3066 27.6824 174.7609 65 S 4.6481 7.9069 115.1412 58.8519 64.3944 173.1894 66 T 5.2416 8.7122 118.3354 62.0831 70.5748 173.9345 67 L 5.0101 9.3537 126.3642 53.5899 45.1514 174.9100 68 H 5.0745 9.1551 117.5434 54.0181 31.7607 172.7661 69 L 4.9438 8.7945 126.1314 53.9075 43.3372 175.8671 70 V 4.6791 8.6975 118.4622 59.1552 36.6052 174.6906 71 L 4.3686 8.4351 121.9220 54.8678 42.3221 176.9378 72 R 4.3227 8.4340 124.6493 55.2666 30.4240 176.0608 73 L 4.4328 8.5049 127.0026 54.4548 42.8006 176.4054 74 R 4.5361 7.9272 116.0179 55.0276 31.7247 175.1476 75 G 3.7543 8.3839 109.2010 45.6594 0.0000 174.0151 76 G 4.0721 8.5642 107.2008 45.8610 0.0000 173.5479 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 4.46 0.00 2.06 2.20 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 2.46 2.67 0.00 2 Q 8.20 4.88 0.00 1.86 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 3 I 8.96 4.57 1.80 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 1.07 1.18 0.80 0.00 0.00 4 F 8.92 5.45 0.00 3.04 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 5 V 8.94 4.82 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 1.03 0.00 0.00 0.92 0.00 0.00 6 K 8.99 4.82 0.00 1.64 1.72 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 7 T 9.18 4.64 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 1.36 0.00 0.00 8 L 8.48 3.96 0.00 1.66 1.79 0.93 0.86 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 9 T 7.61 4.17 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 1.21 0.00 0.00 10 G 8.14 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 11 K 7.63 4.14 0.00 1.81 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.41 7.81 12 T 8.30 5.11 4.21 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 1.22 0.00 0.00 13 I 8.96 4.69 1.89 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 1.27 0.96 0.00 0.00 14 T 8.51 5.13 4.29 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 1.17 0.00 0.00 15 L 8.80 4.79 0.00 1.44 1.45 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.65 4.91 0.00 1.90 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 2.18 2.34 0.00 17 V 8.87 4.71 2.16 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 0.68 0.00 0.00 0.84 0.00 0.00 18 E 9.66 4.76 0.00 1.78 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 2.18 2.37 0.00 19 P 0.00 4.14 0.00 2.16 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.87 4.60 0.00 3.96 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 21 D 8.13 4.48 0.00 2.79 2.61 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 22 T 8.16 4.73 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 1.22 0.00 0.00 23 I 8.36 3.71 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.12 0.89 0.00 0.00 24 E 8.14 3.96 0.00 2.05 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 2.41 2.47 0.00 25 N 8.01 4.31 0.00 2.94 2.85 0.00 0.00 6.69 7.71 0.00 0.00 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 7.84 3.56 2.20 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 0.98 0.00 0.00 0.90 0.00 0.00 27 K 8.62 4.33 0.00 1.97 1.84 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.46 7.81 28 A 8.04 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.97 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.64 7.81 30 I 7.85 3.75 2.15 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 0.88 0.94 0.00 0.00 31 Q 8.17 4.04 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 D 7.89 4.35 0.00 2.90 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 7.72 4.20 0.00 1.69 1.86 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.56 7.81 34 E 8.90 4.43 0.00 1.88 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 0.00 2.24 2.34 0.00 35 G 8.28 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 36 I 7.32 4.12 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 1.41 0.89 0.91 0.00 0.00 37 P 0.00 4.38 0.00 2.31 1.96 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 38 P 0.00 4.22 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 39 D 8.06 4.60 0.00 2.79 2.78 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 40 Q 8.32 4.59 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 41 Q 8.00 4.85 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 42 R 8.56 4.67 0.00 1.86 1.88 0.00 3.07 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 43 L 8.56 5.16 0.00 1.57 1.50 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.75 5.05 1.92 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 1.13 1.14 0.91 0.00 0.00 45 F 9.13 5.12 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.30 3.51 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 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 48 K 7.88 4.50 0.00 1.66 1.69 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.22 7.81 49 Q 8.54 4.63 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.84 3.75 0.00 1.34 1.22 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.41 4.76 0.00 2.00 1.92 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 2.36 2.50 0.00 52 D 8.62 4.45 0.00 2.69 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 53 G 9.99 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 54 R 7.68 4.75 0.00 2.20 1.94 0.00 3.21 0.00 0.00 3.01 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 55 T 8.52 5.00 4.47 0.00 0.00 0.00 0.00 0.00 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 56 L 8.52 4.07 0.00 1.90 1.70 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.32 4.20 0.00 3.99 4.12 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 58 D 7.69 4.26 0.00 2.69 2.33 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 59 Y 8.13 4.55 0.00 3.11 3.17 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 60 N 8.15 4.15 0.00 2.98 3.10 0.00 0.00 7.13 7.28 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 61 I 7.18 3.60 1.80 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.28 0.55 0.00 0.00 62 Q 8.63 4.67 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 63 K 8.49 3.98 0.00 1.68 1.75 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.45 7.81 64 E 9.36 3.68 0.00 2.22 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 0.00 2.45 2.24 0.00 65 S 7.91 4.65 0.00 3.62 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 66 T 8.71 5.24 4.38 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 1.21 0.00 0.00 67 L 9.35 5.01 0.00 1.54 1.58 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.16 5.07 0.00 3.05 3.19 0.00 5.60 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 69 L 8.79 4.94 0.00 1.62 1.76 0.97 1.20 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 70 V 8.70 4.68 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 0.82 0.00 0.00 0.99 0.00 0.00 71 L 8.44 4.37 0.00 1.53 1.60 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.43 4.32 0.00 1.90 1.87 0.00 3.25 0.00 0.00 3.46 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 73 L 8.50 4.43 0.00 1.68 1.58 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.93 4.54 0.00 1.87 1.85 0.00 3.03 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 75 G 8.38 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 76 G 8.56 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00