NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4707 8.2893 120.3493 55.3146 34.0545 175.5677 2 T 4.3842 7.7236 107.3132 61.1454 69.2142 174.5701 3 F 3.3905 8.2756 122.6839 57.5039 38.5664 175.1191 4 I 4.4703 8.2543 119.8132 60.6786 39.4213 176.1606 5 T 4.5831 7.9441 119.9775 61.4147 69.0482 172.2567 6 K 4.5649 8.1082 124.7925 54.7008 34.0879 175.7931 7 T 4.6645 8.0108 114.5694 59.2150 71.6643 171.8835 8 P 4.5739 0.0000 0.0000 61.2013 32.4894 173.7408 9 P 4.5035 0.0000 0.0000 62.2021 32.2388 176.9650 10 A 4.1521 8.3872 120.7235 54.0927 18.7493 178.8971 11 A 4.3283 7.9766 117.0203 52.8927 18.0157 178.5200 12 V 4.2055 7.5432 115.7109 63.1753 32.8218 178.0322 13 L 4.3712 7.7146 118.7619 57.6081 41.4383 177.8661 14 L 3.7470 8.0649 116.7184 58.1969 41.4729 179.3424 15 K 3.8562 8.0405 117.3700 59.8730 32.2458 178.5156 16 K 3.7628 7.2476 118.4725 59.7537 32.0794 177.7424 17 A 4.1475 7.7839 118.9112 56.1571 18.3492 178.7190 18 A 4.0009 7.6425 117.6116 51.2881 18.5748 176.6573 19 G 3.4906 7.7704 107.5416 45.3272 0.0000 175.0784 20 I 4.1218 7.7390 122.7848 60.0213 36.0621 174.7168 21 E 4.5211 8.0324 121.5821 56.4977 32.1814 176.1623 22 S 4.6374 7.4704 112.9117 57.1776 65.2901 174.1570 23 G 4.1803 8.3836 114.6190 43.7082 0.0000 173.7252 24 S 4.1321 8.9271 119.3430 59.9714 62.5485 172.8604 25 G 3.7876 5.5587 114.2510 44.3524 0.0000 174.1603 26 E 4.7187 7.0638 126.0719 54.2878 32.2994 174.6234 27 P 4.5728 0.0000 0.0000 61.7597 33.5729 175.5434 28 N 4.1852 8.6968 117.3120 54.8905 39.1663 173.9181 29 R 3.6524 8.7130 127.3313 56.3276 27.4150 174.5410 30 N 5.0197 8.4641 119.5595 51.2758 41.6503 173.6440 31 K 4.6307 8.3607 124.0392 54.1932 34.7254 176.5195 32 V 3.8277 8.1235 121.8628 61.4084 32.4217 176.5840 33 A 4.4790 8.2461 123.1550 51.0259 17.6045 174.6147 34 T 4.7537 8.0918 109.4788 59.8250 71.4708 174.2298 35 I 4.3739 8.2145 126.4696 59.0945 39.5760 175.4100 36 K 4.0374 8.7159 126.9946 56.7257 33.0957 177.9881 37 R 4.0131 8.7994 120.4585 59.1854 29.7717 177.8899 38 D 4.4018 8.0954 116.4500 56.2098 41.5228 177.1217 39 K 4.2257 7.8495 119.8545 58.5252 32.8671 178.1328 40 V 3.6126 7.6022 119.1207 65.2845 31.1431 178.3338 41 R 3.9048 8.0834 119.4754 58.4784 29.9058 177.8189 42 E 3.9203 8.1190 119.4036 59.4647 29.7104 178.9956 43 I 3.6689 7.7310 118.7349 64.4538 37.0917 178.1136 44 A 4.0578 7.6155 119.4681 54.9023 18.4135 179.0773 45 E 4.0171 8.1659 118.2285 59.3593 29.5678 178.6103 46 L 4.0386 7.6745 118.6584 56.9309 42.3650 177.8579 47 K 4.9119 7.5554 119.0957 55.4288 33.3613 178.6258 48 M 4.2582 7.8925 120.6457 57.8870 32.0258 175.7165 49 P 4.6747 0.0000 0.0000 63.1815 31.5499 175.9181 50 D 4.9461 7.9498 116.9514 54.6051 41.3753 176.9084 51 L 4.7931 7.3063 116.4402 53.9260 43.3996 175.8162 52 N 4.1692 8.3690 113.2557 54.1240 35.9940 173.9519 53 A 4.2299 8.0167 120.1111 51.7511 19.2865 178.5119 54 A 4.2407 8.5058 125.0116 53.1636 19.4128 176.5666 55 S 4.5576 7.1851 108.9166 56.5857 65.5773 176.8999 56 I 3.6841 8.1462 120.3124 64.7524 36.2857 178.1945 57 E 3.9022 8.3766 118.6811 59.3768 28.9129 179.0620 58 A 4.4009 7.5292 118.9404 54.6055 19.4746 178.7761 59 A 4.0835 8.1345 119.7578 54.7732 18.5214 179.1187 60 M 3.8922 8.0632 115.3066 58.7186 32.0696 178.9536 61 R 3.9535 7.4695 118.4673 59.7161 30.4454 178.8794 62 M 4.1100 8.1505 118.1973 58.4391 31.9410 178.8368 63 I 3.8837 7.5312 119.7347 64.2085 36.9846 176.7899 64 E 4.2798 8.3125 120.5207 57.7315 29.8050 177.6344 65 G 3.9663 8.2749 105.0370 48.5468 0.0000 175.4208 66 T 3.9644 7.9496 117.0778 65.8502 68.3367 175.8618 67 A 4.7342 7.6062 120.7162 52.1674 20.1305 177.7416 68 R 5.1819 7.6412 119.6885 58.8905 32.5642 177.1210 69 S 4.4160 7.9889 110.5419 60.0709 62.9633 174.8428 70 M 4.2597 7.7062 118.9726 54.8009 32.3704 175.8511 71 G 4.1644 7.6863 108.9252 45.9777 0.0000 175.1185 72 I 4.0629 7.7775 120.4121 61.2140 38.8461 176.2559 73 V 4.8749 8.2891 125.6869 60.0484 34.6977 174.4461 74 V 5.5299 8.0087 118.0156 59.5909 34.3669 174.4435 75 E 4.9283 8.4422 121.4141 54.9590 33.3657 175.9207 76 D 4.1743 8.3200 119.8231 54.2189 38.8624 175.4928 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 8.29 4.47 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 2 T 7.72 4.38 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 1.25 0.00 0.00 3 F 8.28 3.39 0.00 3.20 3.26 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 4 I 8.25 4.47 1.87 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 1.52 0.83 1.00 0.00 0.00 5 T 7.94 4.58 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 1.24 0.00 0.00 6 K 8.11 4.56 0.00 1.72 1.71 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.41 7.81 7 T 8.01 4.66 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 1.28 0.00 0.00 8 P 0.00 4.57 0.00 2.20 2.12 0.00 3.76 0.00 0.00 3.71 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 9 P 0.00 4.50 0.00 2.24 2.22 0.00 3.69 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 2.07 1.96 0.00 10 A 8.39 4.15 1.32 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 0.00 0.00 0.00 0.00 0.00 11 A 7.98 4.33 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.54 4.21 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 1.06 0.00 0.00 0.93 0.00 0.00 13 L 7.71 4.37 0.00 1.71 1.74 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.06 3.75 0.00 1.81 1.62 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.04 3.86 0.00 1.79 1.90 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.54 7.81 16 K 7.25 3.76 0.00 2.09 1.86 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 17 A 7.78 4.15 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 18 A 7.64 4.00 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 19 G 7.77 3.49 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 0.00 0.00 0.00 20 I 7.74 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 0.49 0.91 0.00 0.00 21 E 8.03 4.52 0.00 1.92 1.88 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 2.21 2.25 0.00 22 S 7.47 4.64 0.00 3.78 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.38 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.93 4.13 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.56 3.79 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 0.00 0.00 0.00 26 E 7.06 4.72 0.00 1.92 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 2.22 2.29 0.00 27 P 0.00 4.57 0.00 2.18 2.09 0.00 3.90 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 28 N 8.70 4.19 0.00 2.68 2.77 0.00 0.00 6.87 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.71 3.65 0.00 1.98 1.96 0.00 3.20 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 30 N 8.46 5.02 0.00 2.61 2.64 0.00 0.00 7.09 6.68 0.00 0.00 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 K 8.36 4.63 0.00 1.75 1.67 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.38 7.81 32 V 8.12 3.83 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 0.78 0.00 0.00 0.93 0.00 0.00 33 A 8.25 4.48 1.27 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 0.00 0.00 0.00 34 T 8.09 4.75 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 35 I 8.21 4.37 1.98 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 1.23 0.69 0.92 0.00 0.00 36 K 8.72 4.04 0.00 1.75 1.78 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.54 7.81 37 R 8.80 4.01 0.00 2.19 1.91 0.00 3.14 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 38 D 8.10 4.40 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.85 4.23 0.00 1.85 1.76 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 40 V 7.60 3.61 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 0.70 0.00 0.00 0.93 0.00 0.00 41 R 8.08 3.90 0.00 1.92 2.06 0.00 3.11 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 42 E 8.12 3.92 0.00 2.25 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 2.31 2.51 0.00 43 I 7.73 3.67 1.99 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 1.57 1.10 0.91 0.00 0.00 44 A 7.62 4.06 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 45 E 8.17 4.02 0.00 2.26 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 2.30 2.31 0.00 46 L 7.67 4.04 0.00 1.77 1.69 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.56 4.91 0.00 1.78 1.78 0.00 1.73 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.44 7.81 48 M 7.89 4.26 0.00 2.10 2.32 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 2.62 2.54 0.00 49 P 0.00 4.67 0.00 2.18 2.14 0.00 3.64 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 1.98 0.00 50 D 7.95 4.95 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.31 4.79 0.00 1.57 1.59 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.37 4.17 0.00 2.87 2.90 0.00 0.00 7.05 7.35 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 53 A 8.02 4.23 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 54 A 8.51 4.24 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.19 4.56 0.00 3.95 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 56 I 8.15 3.68 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 1.64 0.84 0.91 0.00 0.00 57 E 8.38 3.90 0.00 2.00 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 2.41 2.41 0.00 58 A 7.53 4.40 1.35 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 0.00 0.00 0.00 59 A 8.13 4.08 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 60 M 8.06 3.89 0.00 2.09 2.11 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 2.66 0.00 61 R 7.47 3.95 0.00 2.24 1.97 0.00 3.23 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 62 M 8.15 4.11 0.00 2.07 2.20 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 2.83 2.58 0.00 63 I 7.53 3.88 2.03 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 0.80 0.95 0.00 0.00 64 E 8.31 4.28 0.00 2.12 1.85 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 2.28 2.31 0.00 65 G 8.27 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 0.00 0.00 0.00 66 T 7.95 3.96 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 1.23 0.00 0.00 67 A 7.61 4.73 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 68 R 7.64 5.18 0.00 1.86 1.84 0.00 3.18 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 69 S 7.99 4.42 0.00 4.10 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 70 M 7.71 4.26 0.00 2.00 2.35 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 71 G 7.69 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.78 4.06 2.00 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 1.40 0.56 0.97 0.00 0.00 73 V 8.29 4.87 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 0.82 0.00 0.00 0.93 0.00 0.00 74 V 8.01 5.53 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 0.58 0.00 0.00 1.01 0.00 0.00 75 E 8.44 4.93 0.00 1.91 1.85 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 2.28 2.26 0.00 76 D 8.32 4.17 0.00 2.70 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