NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5938 8.3049 118.8006 53.7676 33.9764 175.5946 1 K 4.7645 7.6844 115.5694 51.9396 36.1189 175.1202 2 S 4.4908 9.3793 119.0342 57.3801 66.0632 173.4790 3 P 4.3359 0.0000 0.0000 65.9409 31.0818 178.5751 4 E 3.9087 8.2188 117.5591 59.2383 29.4422 178.3595 5 E 4.0101 8.1171 119.0595 59.0521 29.6380 178.5331 6 L 4.2252 8.4298 120.8631 58.0861 42.2274 178.8752 7 K 3.6300 8.5901 120.0958 59.2380 32.0155 179.0947 8 G 3.8249 8.1997 106.1437 47.4815 0.0000 175.9818 9 I 3.8594 7.6695 122.0025 64.2328 37.2053 177.8033 10 F 3.9375 8.4650 121.6920 61.6319 38.9877 176.7724 11 E 4.0138 8.8853 118.2372 59.6486 29.0895 179.4999 12 K 3.8184 7.8504 118.1541 59.5266 32.2860 177.9574 13 Y 3.9036 7.8339 116.4694 60.1893 37.7709 177.7069 14 A 3.8174 8.0101 121.2456 54.4162 18.4930 178.6050 15 A 4.3027 7.3754 116.9408 52.9704 18.7846 178.6191 16 K 4.0563 7.6422 117.8679 58.8292 32.4079 176.8466 17 E 4.6752 8.9049 114.7245 55.2891 33.4038 177.9155 18 G 3.6262 8.4025 109.2074 46.1164 0.0000 175.1752 19 D 4.3534 8.6847 125.7211 53.6509 41.0289 175.1453 20 P 4.4649 0.0000 0.0000 64.8632 31.5623 176.6022 21 N 4.9785 8.7142 115.1263 53.0841 39.2494 174.0212 22 Q 5.0897 7.7188 116.0025 54.1024 33.2868 174.4846 23 L 4.8322 8.8901 121.8103 53.6655 43.6078 177.1786 24 S 4.7685 9.3259 119.3008 57.3499 64.8504 175.2987 25 K 3.3158 8.0829 120.1583 59.3752 31.6401 178.1339 26 E 3.8766 7.9256 119.0612 59.3184 29.6280 178.4720 27 E 4.0183 8.2892 118.6854 59.2356 29.4038 179.1018 28 L 4.0136 8.2255 120.5875 57.8501 42.1044 178.7620 29 K 3.8821 8.2042 119.6656 59.6387 32.1607 178.5794 30 L 3.9815 8.0465 119.1040 57.6786 41.5847 179.2573 31 L 2.5297 7.6862 119.9567 57.7000 41.9661 178.9876 32 L 4.0863 8.1186 119.0367 58.0977 41.4187 179.5772 33 Q 4.0104 8.0827 116.7441 59.1241 28.6747 178.8225 34 T 4.1029 7.6893 115.5357 66.1227 68.9048 176.2422 35 E 4.0685 8.1161 118.3865 56.5845 31.6423 176.5893 36 F 5.1351 7.8217 116.7556 55.3723 40.1299 174.0627 37 P 4.3217 0.0000 0.0000 65.7424 31.7191 179.2042 38 S 4.3001 8.1092 112.9029 60.4654 63.2405 176.0718 39 L 4.0439 8.1255 120.9864 57.1608 41.4113 177.6367 40 L 4.5685 7.7446 116.8037 54.5611 41.6609 177.0731 41 K 4.5702 7.6164 118.6532 55.9428 32.4259 176.6573 42 G 3.9970 7.7419 108.8971 43.9506 0.0000 171.8033 43 P 4.3393 0.0000 0.0000 65.4181 31.3810 177.0340 44 S 4.7223 7.7272 113.7379 57.5862 63.9954 174.4627 45 T 4.3397 8.9121 115.3310 60.7643 71.1333 175.8488 46 L 3.9801 8.3092 121.8690 58.3716 42.0216 178.2974 47 D 4.4603 8.1429 118.3712 57.5900 40.8095 178.6316 48 E 3.9975 8.2557 118.9824 59.1235 29.4618 179.0995 49 L 3.9304 8.2654 120.6985 58.1138 42.1643 178.5094 50 F 4.0564 8.7793 120.8893 61.7124 39.0492 176.9424 51 E 3.9610 8.3338 116.5676 59.4165 29.2745 178.7603 52 E 4.0461 8.0080 118.6471 59.1706 29.7816 178.5553 53 L 4.1619 7.6066 118.2883 56.7535 42.9737 178.0856 54 D 4.4496 7.7297 119.7566 52.8117 38.4789 176.5326 55 K 3.9084 7.9989 123.0512 58.9519 31.6699 178.1078 56 N 4.4957 8.2619 114.0550 52.6385 37.6057 175.6511 57 G 3.8159 7.7791 107.1758 46.9688 0.0000 174.1381 58 D 4.5614 7.9490 114.5997 52.7165 39.8426 177.1863 59 G 4.1955 9.0145 108.1608 45.8499 0.0000 173.1130 60 E 5.1713 8.3201 117.0674 54.3611 33.8133 175.2572 61 V 4.6233 9.0164 123.3778 61.3148 33.7121 175.7498 62 S 4.9882 9.3131 123.6588 57.4121 64.3189 175.1688 63 F 3.3176 8.7233 121.0318 60.9484 38.6381 176.4800 64 E 3.8164 8.0248 118.0073 59.2004 29.3603 178.1854 65 E 4.0477 8.1098 118.4178 59.2848 29.4478 179.0339 66 F 4.1656 8.4036 120.6656 61.1808 39.3413 176.9068 67 Q 3.6287 7.4342 116.8296 58.9353 28.1758 179.0892 68 V 3.5001 7.0408 117.6423 65.7134 31.7032 177.4921 69 L 3.9490 7.6993 118.0945 56.3454 41.3963 179.0806 70 V 3.3588 7.1488 118.9106 65.4989 31.3109 177.7483 71 K 3.8003 7.7957 118.9590 59.3944 31.8587 178.5501 72 K 3.8297 7.8139 116.8365 59.7291 32.0589 178.8993 73 I 3.6930 7.2672 118.6103 64.3295 37.0107 178.4267 74 S 4.2673 8.0226 115.4103 61.2922 62.7973 174.3813 75 Q 4.1528 8.0275 124.1835 56.0975 28.5510 175.6126 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 0 M 8.30 4.59 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 1 K 7.68 4.76 0.00 1.89 1.80 0.00 2.05 0.00 0.00 1.94 0.00 0.00 3.18 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.63 1.62 7.81 2 S 9.38 4.49 0.00 4.05 4.03 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 0.00 0.00 0.00 0.00 3 P 0.00 4.34 0.00 2.25 2.25 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 4 E 8.22 3.91 0.00 2.09 1.97 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 2.38 2.43 0.00 5 E 8.12 4.01 0.00 2.15 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 0.00 2.40 2.37 0.00 6 L 8.43 4.23 0.00 1.99 2.09 1.21 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.59 3.63 0.00 1.26 1.68 0.00 0.87 0.00 0.00 1.33 0.00 0.00 2.72 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.27 0.39 7.81 8 G 8.20 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.67 3.86 2.27 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 1.11 0.00 0.00 10 F 8.46 3.94 0.00 2.94 3.14 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 11 E 8.89 4.01 0.00 2.14 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 2.42 2.61 0.00 12 K 7.85 3.82 0.00 1.66 1.99 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.90 1.06 7.81 13 Y 7.83 3.90 0.00 2.91 2.92 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 14 A 8.01 3.82 0.90 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 15 A 7.38 4.30 1.26 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 0.00 0.00 0.00 16 K 7.64 4.06 0.00 1.71 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.46 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.35 1.47 7.81 17 E 8.90 4.68 0.00 1.99 1.86 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 2.41 2.24 0.00 18 G 8.40 3.63 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 0.00 0.00 0.00 19 D 8.68 4.35 0.00 2.73 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 20 P 0.00 4.46 0.00 2.21 2.16 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 21 N 8.71 4.98 0.00 2.86 2.97 0.00 0.00 6.74 7.74 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 22 Q 7.72 5.09 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 23 L 8.89 4.83 0.00 1.70 1.64 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 24 S 9.33 4.77 0.00 3.83 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 25 K 8.08 3.32 0.00 0.79 1.38 0.00 1.49 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.29 1.11 7.81 26 E 7.93 3.88 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 27 E 8.29 4.02 0.00 2.29 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 2.42 2.32 0.00 28 L 8.23 4.01 0.00 1.99 1.97 1.19 0.70 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 29 K 8.20 3.88 0.00 1.86 1.99 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.50 7.81 30 L 8.05 3.98 0.00 2.03 1.93 0.99 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.69 2.53 0.00 1.19 1.63 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.12 4.09 0.00 1.76 1.77 1.00 1.08 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 33 Q 8.08 4.01 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 34 T 7.69 4.10 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 1.27 0.00 0.00 35 E 8.12 4.07 0.00 1.16 1.12 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 2.09 2.11 0.00 36 F 7.82 5.14 0.00 3.10 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 37 P 0.00 4.32 0.00 2.23 2.46 0.00 3.77 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 2.09 1.96 0.00 38 S 8.11 4.30 0.00 4.05 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 39 L 8.13 4.04 0.00 1.88 1.80 0.80 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.74 4.57 0.00 1.82 1.70 0.97 0.73 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 41 K 7.62 4.57 0.00 1.68 1.80 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.51 7.81 42 G 7.74 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 43 P 0.00 4.34 0.00 2.17 2.20 0.00 3.49 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 44 S 7.73 4.72 0.00 3.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.91 4.34 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 1.22 0.00 0.00 46 L 8.31 3.98 0.00 1.73 1.72 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.14 4.46 0.00 2.75 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 48 E 8.26 4.00 0.00 2.19 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 2.35 2.34 0.00 49 L 8.27 3.93 0.00 1.95 1.91 0.90 1.09 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 50 F 8.78 4.06 0.00 3.24 3.24 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 0.00 51 E 8.33 3.96 0.00 2.20 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 0.00 2.77 2.54 0.00 52 E 8.01 4.05 0.00 2.08 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 0.00 2.27 2.31 0.00 53 L 7.61 4.16 0.00 1.48 1.62 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.73 4.45 0.00 2.05 2.24 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 0.00 55 K 8.00 3.91 0.00 1.75 1.82 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.51 7.81 56 N 8.26 4.50 0.00 2.87 3.05 0.00 0.00 6.94 7.73 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 57 G 7.78 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.95 4.56 0.00 2.80 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 59 G 9.01 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 60 E 8.32 5.17 0.00 1.93 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 2.33 2.44 0.00 61 V 9.02 4.62 2.28 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 1.25 0.00 0.00 0.59 0.00 0.00 62 S 9.31 4.99 0.00 4.01 4.23 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 0.00 0.00 0.00 63 F 8.72 3.32 0.00 2.21 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 64 E 8.02 3.82 0.00 1.98 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 2.26 2.37 0.00 65 E 8.11 4.05 0.00 2.33 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 0.00 2.29 2.30 0.00 66 F 8.40 4.17 0.00 3.30 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 67 Q 7.43 3.63 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.53 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 68 V 7.04 3.50 1.97 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 0.72 0.00 0.00 0.83 0.00 0.00 69 L 7.70 3.95 0.00 0.96 1.16 0.62 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.15 3.36 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 1.00 0.00 0.00 0.76 0.00 0.00 71 K 7.80 3.80 0.00 1.74 1.69 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.42 7.81 72 K 7.81 3.83 0.00 1.73 1.77 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.41 7.81 73 I 7.27 3.69 1.67 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.03 0.52 0.00 0.00 74 S 8.02 4.27 0.00 3.98 3.89 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 75 Q 8.03 4.15 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00