NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9409 8.3549 109.7359 45.2662 0.0000 173.3024 2 S 4.0716 9.0318 122.5122 59.7298 62.9519 173.9818 3 S 4.1917 8.1967 113.5552 58.8221 63.8373 173.3762 4 G 4.2413 8.3148 110.5573 43.9270 0.0000 171.1021 5 S 4.6560 8.1233 113.4057 55.5351 66.2819 173.1238 6 S 4.2740 8.5832 115.5973 58.7506 63.3604 175.7104 7 G 4.2012 7.9374 114.2127 45.1310 0.0000 176.2266 8 A 4.6036 8.4176 126.8091 49.0866 20.4879 175.4189 9 P 4.4201 0.0000 0.0000 61.9805 32.1854 175.8299 10 E 4.2913 8.2543 117.3017 55.6232 30.8285 175.5025 11 W 4.6400 8.5885 118.6416 55.7261 30.6379 176.6614 12 T 4.8093 8.0105 112.4959 59.6802 72.4439 175.2360 13 E 3.9363 8.6350 122.1330 59.6272 29.6528 179.6790 14 E 3.9467 8.1978 118.8801 59.6270 29.7697 178.5635 15 D 4.5614 7.7521 118.2671 57.0936 40.6543 178.6019 16 L 4.2458 8.6931 119.1595 57.2567 40.6428 178.8793 17 S 4.4469 8.5135 115.5239 60.9641 62.9265 176.6196 18 Q 4.2111 8.3494 121.0478 58.5295 28.4870 177.8827 19 L 4.1875 7.7290 123.0375 58.1713 41.8360 179.1435 20 T 4.0069 7.1782 111.2804 66.9445 68.1587 176.4444 21 R 4.0822 8.2794 120.2633 59.0889 29.9894 179.2141 22 S 4.0769 8.0638 113.5702 61.9379 62.9674 175.9331 23 M 3.9303 8.3735 121.7987 58.2874 31.7344 178.7901 24 V 3.6578 7.2201 116.6483 65.7913 31.8262 177.8727 25 K 3.9203 7.5349 117.6274 57.6638 32.9788 176.5783 26 F 4.8466 7.5643 117.2661 54.5411 39.6686 173.3758 27 P 4.5554 0.0000 0.0000 61.7504 32.7269 177.0706 28 G 3.6173 8.3334 106.2689 46.8655 0.0000 174.6754 29 G 3.9710 8.7010 109.8904 45.5163 0.0000 174.4742 30 T 3.9144 7.2376 117.0784 62.5442 68.9046 171.8788 31 P 4.2947 0.0000 0.0000 64.2908 31.5293 176.1846 32 G 3.7184 8.8749 111.8974 46.1511 0.0000 174.3634 33 R 3.5159 6.9180 117.7980 60.1763 29.6814 177.8021 34 W 4.5702 7.6373 117.7665 60.1111 29.4344 178.4073 35 E 4.0724 8.1457 118.0184 58.8928 29.0224 179.2587 36 K 3.7915 8.2130 118.8612 59.0529 32.1559 179.2943 37 I 3.9767 7.7910 120.1632 64.2930 37.0019 178.4383 38 A 4.0570 8.2322 121.6120 55.6009 18.1185 179.2509 39 H 4.3348 7.6744 113.7218 58.9664 29.8494 177.0804 40 E 4.1983 7.7849 119.4152 59.3218 29.7606 178.7358 41 L 4.2526 8.2438 117.8434 55.8458 41.6345 178.2478 42 G 3.8431 8.8451 106.4766 45.5410 0.0000 172.6372 43 R 4.6385 7.5105 117.6615 53.9369 33.8017 174.7076 44 S 4.5978 8.2550 113.6575 57.5988 63.6197 175.0693 45 V 3.3260 7.6879 120.9796 66.6349 32.3930 177.5269 46 T 3.6700 8.0560 112.9295 65.5997 66.9877 175.5572 47 D 4.4016 8.0320 118.9131 57.7182 41.4650 178.0153 48 V 4.1473 8.2491 119.4100 65.5350 31.6470 177.4796 49 T 2.0000 7.1193 111.7918 65.2476 66.6867 176.0907 50 T 3.8588 7.6720 116.1907 65.9313 68.4746 176.1591 51 K 3.8553 8.3044 121.6598 58.8700 32.2791 178.5385 52 A 3.8976 7.5936 120.7465 54.9948 18.3705 179.1659 53 K 3.7639 8.2636 117.7421 60.7802 32.3165 179.1930 54 Q 3.9789 7.8096 118.7316 58.5593 28.3307 178.6954 55 L 4.0025 7.8181 119.7428 57.6217 41.7482 179.3323 56 K 4.1680 7.9214 117.0952 59.0185 32.1195 178.9420 57 D 4.6302 7.8895 118.8224 56.5245 41.8072 177.8016 58 S 4.5045 7.5492 118.4465 57.0150 61.4236 173.4874 59 V 4.4711 7.7001 117.1575 59.4000 35.5632 175.5160 60 T 4.4649 8.2559 110.7059 60.3385 68.8775 172.8758 61 C 4.7350 8.2066 120.0884 56.3072 32.5704 173.8897 62 S 4.1231 8.6744 116.0077 58.4649 62.8398 174.3692 63 P 4.3173 0.0000 0.0000 64.8876 31.4471 176.8618 64 G 4.1089 7.0006 102.5404 44.8812 0.0000 171.4745 65 M 4.1859 8.3987 123.6641 55.9728 30.7829 175.5078 66 V 4.4950 7.6867 122.5097 59.4575 34.4419 176.9356 67 S 4.3392 8.6954 117.4574 60.8066 63.2669 175.1192 68 G 4.1404 7.3380 104.2862 43.9342 0.0000 171.6483 69 P 4.3644 0.0000 0.0000 65.1629 31.7741 177.0538 70 S 4.5100 7.5124 111.8788 57.2569 65.2247 173.7013 71 S 4.2311 8.9146 125.0044 61.3083 63.1722 174.4296 72 G 3.7480 7.8914 111.9175 45.6673 0.0000 173.3123 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 8.35 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 2 S 9.03 4.07 0.00 3.95 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 3 S 8.20 4.19 0.00 3.97 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 4 G 8.31 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 0.00 0.00 0.00 0.00 5 S 8.12 4.66 0.00 3.91 3.80 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 6 S 8.58 4.27 0.00 3.83 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 7 G 7.94 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 8 A 8.42 4.60 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.08 2.00 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 10 E 8.25 4.29 0.00 2.17 2.06 0.00 0.00 0.00 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 2.36 0.00 11 W 8.59 4.64 0.00 3.29 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 12 T 8.01 4.81 4.28 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 1.23 0.00 0.00 13 E 8.63 3.94 0.00 2.07 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 0.00 2.44 2.46 0.00 14 E 8.20 3.95 0.00 2.02 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 2.40 2.36 0.00 15 D 7.75 4.56 0.00 3.21 2.82 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 16 L 8.69 4.25 0.00 1.67 1.77 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.51 4.45 0.00 4.00 3.93 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 18 Q 8.35 4.21 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.76 0.00 19 L 7.73 4.19 0.00 2.05 1.78 1.19 0.64 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 20 T 7.18 4.01 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 21 R 8.28 4.08 0.00 2.02 1.97 0.00 3.14 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 22 S 8.06 4.08 0.00 4.35 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 0.00 23 M 8.37 3.93 0.00 1.94 2.37 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.66 0.00 24 V 7.22 3.66 2.17 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 0.67 0.00 0.00 0.93 0.00 0.00 25 K 7.53 3.92 0.00 1.29 0.74 0.00 1.52 0.00 0.00 1.32 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.67 1.17 7.81 26 F 7.56 4.85 0.00 2.93 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 27 P 0.00 4.56 0.00 2.13 2.06 0.00 3.77 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 1.96 1.92 0.00 28 G 8.33 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.70 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 30 T 7.24 3.91 4.43 0.00 0.00 0.00 0.00 0.00 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 31 P 0.00 4.29 0.00 2.16 2.08 0.00 3.80 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 1.96 0.00 32 G 8.87 3.72 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 0.00 0.00 0.00 33 R 6.92 3.52 0.00 1.76 1.41 0.00 2.65 0.00 0.00 2.25 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.74 0.00 34 W 7.64 4.57 0.00 3.41 3.16 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 35 E 8.15 4.07 0.00 2.02 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 2.42 2.44 0.00 36 K 8.21 3.79 0.00 0.79 0.74 0.00 1.48 0.00 0.00 1.01 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.99 1.20 7.81 37 I 7.79 3.98 2.15 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 1.84 0.93 1.20 0.00 0.00 38 A 8.23 4.06 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 7.67 4.33 0.00 3.16 3.49 0.00 5.95 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.78 4.20 0.00 2.38 2.11 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 2.70 2.91 0.00 41 L 8.24 4.25 0.00 1.71 1.77 1.34 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.85 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 0.00 0.00 0.00 43 R 7.51 4.64 0.00 1.69 1.74 0.00 2.21 0.00 0.00 2.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.24 0.00 44 S 8.26 4.60 0.00 3.87 3.76 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 45 V 7.69 3.33 2.11 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 1.08 0.00 0.00 1.06 0.00 0.00 46 T 8.06 3.67 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 47 D 8.03 4.40 0.00 2.72 2.87 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 48 V 8.25 4.15 2.30 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 1.30 0.00 0.00 1.15 0.00 0.00 49 T 7.12 2.00 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 0.75 0.00 0.00 50 T 7.67 3.86 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 1.17 0.00 0.00 51 K 8.30 3.86 0.00 1.35 1.49 0.00 0.97 0.00 0.00 1.21 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.62 7.81 52 A 7.59 3.90 1.46 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 0.00 0.00 0.00 53 K 8.26 3.76 0.00 1.94 2.05 0.00 1.29 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.51 7.81 54 Q 7.81 3.98 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 55 L 7.82 4.00 0.00 1.67 1.69 0.80 1.06 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 56 K 7.92 4.17 0.00 1.89 1.90 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.58 7.81 57 D 7.89 4.63 0.00 2.86 2.71 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 58 S 7.55 4.50 0.00 3.87 3.81 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 V 7.70 4.47 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 0.92 0.00 0.00 1.00 0.00 0.00 60 T 8.26 4.46 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 61 C 8.21 4.73 0.00 3.04 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 62 S 8.67 4.12 0.00 3.90 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 63 P 0.00 4.32 0.00 2.17 2.18 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 64 G 7.00 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 0.00 0.00 0.00 65 M 8.40 4.19 0.00 1.99 2.04 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 2.58 2.54 0.00 66 V 7.69 4.49 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 0.96 0.00 0.00 0.96 0.00 0.00 67 S 8.70 4.34 0.00 3.88 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 68 G 7.34 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 0.00 0.00 0.00 0.00 69 P 0.00 4.36 0.00 2.19 2.19 0.00 3.79 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 1.95 0.00 70 S 7.51 4.51 0.00 3.80 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 71 S 8.91 4.23 0.00 3.90 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 72 G 7.89 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