NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4198 8.3049 120.3691 55.3966 33.2105 172.2499 2 I 3.0815 7.4273 123.2789 59.3920 38.3469 169.2393 3 V 3.0520 8.6575 125.7499 62.1290 32.7035 172.4754 4 P 4.0462 0.0000 0.0000 61.8462 31.9658 174.9808 5 V 3.4771 8.2547 124.5575 63.5780 31.7674 172.0568 6 R 4.5058 9.0583 134.1989 54.8305 30.3840 175.8635 7 C 3.9986 8.3706 117.7096 57.5547 30.2999 173.7192 8 F 4.3064 8.0271 123.4118 61.3726 38.8799 177.0943 9 S 4.3011 8.2259 114.7952 61.1880 63.2391 174.4042 10 C 4.3800 8.2492 114.4661 58.5135 42.3296 173.5397 11 G 3.7253 8.0377 110.8888 44.9459 0.0000 174.6574 12 K 3.6325 8.3073 121.1228 56.5021 32.3511 175.3848 13 V 3.7579 8.4320 118.7862 62.4909 31.7120 176.0721 14 V 4.2742 8.4083 117.2871 61.1925 33.7659 178.1967 15 G 3.9248 7.5067 108.8353 48.7805 0.0000 174.2058 16 D 4.6309 8.0416 115.9422 53.9368 40.0021 177.2179 17 K 4.4218 8.0229 119.7561 57.1105 32.7904 178.2686 18 W 4.3983 8.2387 128.9711 60.5894 30.8305 177.0757 19 E 3.9121 8.5261 118.0655 60.0811 28.9610 179.8145 20 S 4.2493 8.0781 114.0149 61.2723 63.0421 175.9518 21 Y 3.9298 8.0114 122.6644 60.8152 38.7193 178.3443 22 L 3.8334 7.4089 118.9734 57.2710 41.5879 179.3466 23 N 4.2744 7.4759 115.5825 56.1788 38.4507 177.2266 24 L 4.0689 7.8802 119.4589 56.5597 41.0781 178.8026 25 L 4.2486 7.1219 117.6189 55.8602 42.1656 177.9977 26 Q 4.0731 7.4748 117.4855 57.8777 29.7127 176.4836 27 E 4.0438 7.7044 119.0783 59.2909 29.8345 177.5668 28 D 4.3385 7.9337 116.0145 54.9512 41.7216 175.8025 29 E 3.8473 7.8625 116.1728 56.9067 26.2168 173.5695 30 L 4.7419 7.3549 117.7123 52.6434 44.8807 177.0130 31 D 4.6388 8.1668 119.9495 52.7431 40.6491 177.3994 32 E 4.0306 8.7935 120.3004 59.5115 29.1470 179.9221 33 G 3.6548 8.3342 105.6707 47.2385 0.0000 175.1449 34 T 4.0878 8.1638 111.4391 63.3971 69.3531 176.8767 35 A 4.0842 7.8940 123.1342 54.9746 18.2268 179.4770 36 L 4.2536 8.2719 117.6484 58.1835 41.2478 179.8665 37 S 4.2253 7.6921 114.7074 61.3299 62.4922 176.5819 38 R 4.0682 8.4134 121.1882 58.6136 29.9265 177.4503 39 L 4.4422 7.2772 116.7852 54.6477 41.8679 177.4396 40 G 3.9562 7.6628 106.6174 45.5527 0.0000 175.1230 41 L 4.4252 7.2478 121.4460 53.1918 40.1027 176.4698 42 K 4.1708 8.0455 120.9122 58.7496 33.8152 178.8869 43 R 4.3927 7.6012 115.4541 54.7104 30.9933 176.8508 44 Y 4.2403 8.0907 118.6166 60.1777 36.6339 178.0363 45 C 4.2420 7.7237 116.2474 60.9612 29.3625 175.4644 46 C 4.6223 7.5935 115.8797 56.6510 38.4357 174.6224 47 R 4.4152 7.4740 120.9252 58.0748 30.9022 178.3900 48 R 4.1138 8.3031 117.2939 58.5790 28.8632 178.3310 49 M 3.7517 7.3668 116.0815 57.8033 31.8952 177.0794 50 I 4.1304 7.6660 119.0899 62.1724 38.5166 177.6022 51 L 4.1291 7.8269 120.3653 57.6643 42.5862 177.2486 52 T 4.2993 7.4557 113.0455 63.6859 68.8878 173.6572 53 H 4.1641 7.5593 122.2188 55.5396 30.1455 174.3391 54 V 4.0721 7.9967 126.7451 61.5185 32.5912 175.6819 55 D 4.6085 8.1224 127.4384 53.0433 39.9185 176.1554 56 L 3.8747 7.9054 122.6872 55.8499 42.1353 177.8335 57 I 4.0923 7.9961 119.1141 64.5336 37.5899 177.1623 58 E 4.0355 7.8309 118.9467 59.4934 29.2521 179.3433 59 K 4.0632 8.1670 117.9089 58.6074 32.0244 179.2492 60 F 4.8337 8.0144 117.6656 60.3051 39.0311 177.3745 61 L 4.3045 7.7979 118.8203 57.4145 41.2083 179.1965 62 R 3.8994 7.4895 115.8987 58.5425 30.2426 176.0962 63 Y 4.3548 7.6666 116.1499 56.7031 38.4986 174.4241 64 N 4.3587 9.1325 124.7232 55.8393 39.1223 172.5008 65 P 4.5285 0.0000 0.0000 62.7280 31.6635 174.8598 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 8.30 4.42 0.00 2.04 2.25 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 2.50 2.66 0.00 2 I 7.43 3.08 1.86 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 1.17 0.36 0.85 0.00 0.00 3 V 8.66 3.05 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 0.47 0.00 0.00 0.18 0.00 0.00 4 P 0.00 4.05 0.00 1.78 1.63 0.00 3.30 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 5 V 8.25 3.48 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 0.76 0.00 0.00 0.91 0.00 0.00 6 R 9.06 4.51 0.00 2.00 2.01 0.00 3.31 0.00 0.00 3.94 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.55 0.00 7 C 8.37 4.00 0.00 2.94 2.97 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 8 F 8.03 4.31 0.00 3.03 3.02 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 9 S 8.23 4.30 0.00 3.99 4.06 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 0.00 0.00 0.00 10 C 8.25 4.38 0.00 3.06 3.19 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 11 G 8.04 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 0.00 0.00 0.00 12 K 8.31 3.63 0.00 1.78 1.71 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.48 7.81 13 V 8.43 3.76 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 0.76 0.00 0.00 0.93 0.00 0.00 14 V 8.41 4.27 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 0.72 0.00 0.00 0.89 0.00 0.00 15 G 7.51 3.92 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 0.00 0.00 0.00 16 D 8.04 4.63 0.00 2.83 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 17 K 8.02 4.42 0.00 2.00 1.97 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.60 7.81 18 W 8.24 4.40 0.00 3.33 3.12 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 19 E 8.53 3.91 0.00 2.06 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 2.53 2.44 0.00 20 S 8.08 4.25 0.00 4.01 3.92 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 21 Y 8.01 3.93 0.00 3.16 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 22 L 7.41 3.83 0.00 1.48 1.49 -0.30 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.48 4.27 0.00 2.85 2.79 0.00 0.00 6.87 6.62 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 24 L 7.88 4.07 0.00 1.64 1.57 0.88 0.47 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 25 L 7.12 4.25 0.00 1.47 1.49 0.23 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.47 4.07 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 27 E 7.70 4.04 0.00 1.95 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 2.28 2.24 0.00 28 D 7.93 4.34 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.86 3.85 0.00 2.08 1.99 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 2.17 2.40 0.00 30 L 7.35 4.74 0.00 1.64 1.50 0.87 0.93 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 31 D 8.17 4.64 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.79 4.03 0.00 2.14 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 0.00 2.48 2.44 0.00 33 G 8.33 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.16 4.09 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 1.21 0.00 0.00 35 A 7.89 4.08 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.25 0.00 1.76 1.81 1.06 1.03 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 37 S 7.69 4.23 0.00 4.07 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 38 R 8.41 4.07 0.00 1.75 1.95 0.00 3.23 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 39 L 7.28 4.44 0.00 1.80 1.75 1.12 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.66 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 0.00 0.00 0.00 41 L 7.25 4.43 0.00 1.89 1.67 0.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.05 4.17 0.00 1.87 1.94 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 43 R 7.60 4.39 0.00 1.75 1.95 0.00 2.86 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 44 Y 8.09 4.24 0.00 3.20 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 45 C 7.72 4.24 0.00 3.14 3.09 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 0.00 0.00 0.00 46 C 7.59 4.62 0.00 2.88 3.10 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 0.00 0.00 0.00 0.00 47 R 7.47 4.42 0.00 2.09 2.00 0.00 3.25 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 48 R 8.30 4.11 0.00 2.08 2.28 0.00 3.11 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 49 M 7.37 3.75 0.00 1.84 2.15 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 50 I 7.67 4.13 1.78 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 1.32 1.27 0.47 0.00 0.00 51 L 7.83 4.13 0.00 1.75 1.73 1.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.46 4.30 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 53 H 7.56 4.16 0.00 3.11 3.11 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.00 4.07 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 0.80 0.00 0.00 0.91 0.00 0.00 55 D 8.12 4.61 0.00 2.72 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 56 L 7.91 3.87 0.00 1.87 1.22 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.00 4.09 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.34 1.07 0.00 0.00 58 E 7.83 4.04 0.00 1.94 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 2.63 2.62 0.00 59 K 8.17 4.06 0.00 1.71 1.69 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.42 7.81 60 F 8.01 4.83 0.00 3.35 3.09 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 0.00 0.00 0.00 61 L 7.80 4.30 0.00 1.73 1.79 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.49 3.90 0.00 1.71 1.77 0.00 3.29 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 63 Y 7.67 4.35 0.00 2.99 2.97 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 64 N 9.13 4.36 0.00 2.70 2.93 0.00 0.00 7.14 7.69 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 65 P 0.00 4.53 0.00 2.21 2.02 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.10 0.00