NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5791 8.3049 120.3495 55.4604 33.6755 175.2841 2 Q 4.4011 8.7510 124.3418 54.0975 31.7693 175.8701 3 K 4.0250 8.7765 122.1728 59.7472 32.4958 178.9170 4 E 4.1255 8.2566 119.1546 59.3869 29.4685 178.8093 5 Q 4.0307 7.9746 117.7458 58.6885 28.8993 178.0568 6 L 4.0716 7.9186 121.4099 58.2278 41.7248 178.8535 7 S 4.2457 8.8378 113.1884 61.5651 62.3521 176.0672 8 A 3.8775 8.2570 123.3771 54.9879 18.0566 179.2289 9 L 4.1983 8.4065 119.4916 58.6357 42.0562 179.0060 10 M 4.3302 8.2848 114.6200 57.3180 31.2285 176.9595 11 D 4.7702 7.4373 118.4680 53.4779 41.4598 176.9337 12 G 3.9657 8.0314 107.7033 46.1836 0.0000 174.5542 13 E 4.3487 8.2024 118.4872 56.9874 30.0833 176.4313 14 T 4.7511 7.5942 112.0719 60.4520 70.4440 172.8448 15 L 4.7980 8.2936 126.2163 53.9287 43.1045 176.6008 16 D 4.4028 7.9236 119.6328 54.4342 41.9353 176.7298 17 S 4.1355 8.7568 122.5247 61.5572 62.9756 176.3569 18 E 3.9501 8.2024 121.9040 59.1127 29.1777 179.0594 19 L 3.9930 7.6260 118.0074 57.6165 41.6713 179.3488 20 L 3.8431 8.0377 119.0509 57.6785 41.3309 178.9632 21 N 4.2338 8.0945 115.9150 56.7889 39.2661 175.9638 22 E 4.0454 8.3966 120.8771 59.1732 29.7569 178.3267 23 L 3.7789 8.0427 120.1200 58.3306 41.9492 178.9221 24 A 3.9662 7.8195 118.7160 54.3383 18.1953 177.6599 25 H 4.6418 7.6541 112.0678 55.0889 29.7293 173.7336 26 N 4.8337 7.9944 118.7055 50.8610 40.7831 172.7498 27 P 4.1942 0.0000 0.0000 65.7930 31.5673 178.2581 28 E 3.9448 8.2000 117.5318 59.5054 29.6208 178.6186 29 M 4.1033 8.7477 119.1800 58.2929 31.9316 178.7287 30 Q 4.0370 8.2298 118.6084 58.8697 28.8644 178.9550 31 K 4.0037 8.0885 119.5725 59.6891 32.0747 179.6250 32 T 3.5425 7.7885 115.8833 66.0714 68.3725 176.3544 33 W 4.2841 8.4898 130.7832 60.5949 30.6579 177.5660 34 E 3.9496 8.5071 118.9474 59.4816 29.1676 178.9082 35 S 4.1597 8.4729 115.4695 62.0058 62.9155 176.4302 36 Y 4.3594 8.4046 119.7324 61.4736 37.4549 178.3540 37 H 4.0536 8.2005 117.1694 58.3601 28.6273 177.6010 38 L 3.9852 8.0423 122.3730 58.1784 41.8903 178.9932 39 I 3.6846 7.8798 119.7239 64.4007 36.9994 178.2195 40 R 3.8218 8.0399 119.3807 59.6763 29.8000 178.2627 41 D 4.3145 8.3859 118.8613 57.2755 40.9211 178.6756 42 S 4.0755 8.3886 113.9425 61.8366 62.2271 176.2066 43 M 4.0958 7.9974 120.0122 58.2971 31.8104 178.3607 44 R 4.2420 8.1388 115.9125 56.0815 30.4825 177.0957 45 G 3.8312 7.6004 106.3023 46.7014 0.0000 174.5869 46 D 4.7837 8.1476 119.1100 53.1438 39.9343 176.4040 47 T 4.6608 7.1371 107.9017 59.0186 72.3925 172.5884 48 P 4.5971 0.0000 0.0000 61.7231 33.0316 175.7265 49 E 3.9579 8.7480 118.3367 58.3710 29.6027 176.8326 50 V 4.2593 7.4690 117.8317 60.6189 33.2165 174.6412 51 L 4.1009 8.2706 127.5968 54.5241 42.2990 175.8559 52 H 4.5781 8.3751 119.7087 54.2074 30.8286 174.1215 53 F 4.9104 8.6273 121.3614 57.6888 39.4098 176.2753 54 D 4.9584 7.8376 120.0768 53.2671 39.4828 177.8475 55 I 3.6753 7.6638 122.6187 65.0545 37.1394 178.2675 56 S 4.1679 8.1017 114.7420 61.3625 62.8520 176.4371 57 S 4.1155 8.0243 117.4559 61.3470 62.8228 176.5247 58 R 3.9168 8.0474 121.8931 58.7485 29.7893 179.1357 59 V 3.5515 7.9906 118.0486 66.4869 31.5412 177.9967 60 M 4.0693 8.3737 118.3806 58.3900 31.5363 178.6797 61 A 3.9627 8.0164 119.9213 55.0159 18.7682 179.2155 62 A 4.1195 7.8300 118.9957 54.9626 18.4205 179.9902 63 I 3.7093 7.7384 118.8090 64.5600 36.9884 178.3416 64 E 3.9913 8.2805 118.5506 58.8916 29.3263 178.2651 65 E 4.4484 7.4805 115.5098 56.3391 29.9514 175.8531 66 E 4.2009 8.1726 125.8369 56.3588 30.1084 174.5983 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 4.58 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 Q 8.75 4.40 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 3 K 8.78 4.02 0.00 1.88 2.02 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.53 7.81 4 E 8.26 4.13 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 5 Q 7.97 4.03 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 6 L 7.92 4.07 0.00 1.87 1.96 1.31 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.84 4.25 0.00 4.10 4.10 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 8 A 8.26 3.88 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 4.20 0.00 2.00 2.11 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.28 4.33 0.00 2.25 1.76 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.84 0.00 11 D 7.44 4.77 0.00 2.81 2.74 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 12 G 8.03 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 13 E 8.20 4.35 0.00 2.14 2.02 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 2.52 2.39 0.00 14 T 7.59 4.75 4.27 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 1.26 0.00 0.00 15 L 8.29 4.80 0.00 1.64 1.62 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.92 4.40 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.76 4.14 0.00 4.08 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 18 E 8.20 3.95 0.00 2.24 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 2.39 2.34 0.00 19 L 7.63 3.99 0.00 1.93 1.71 0.96 0.64 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 20 L 8.04 3.84 0.00 1.69 1.66 0.82 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.09 4.23 0.00 2.77 3.02 0.00 0.00 7.21 8.47 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 22 E 8.40 4.05 0.00 2.27 2.02 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 2.30 2.36 0.00 23 L 8.04 3.78 0.00 1.64 1.74 0.73 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.82 3.97 1.20 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 25 H 7.65 4.64 0.00 3.13 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.99 4.83 0.00 2.95 2.67 0.00 0.00 7.20 7.44 0.00 0.00 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 4.19 0.00 2.18 2.08 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 28 E 8.20 3.94 0.00 2.02 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 2.35 2.38 0.00 29 M 8.75 4.10 0.00 2.03 2.17 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 2.61 2.82 0.00 30 Q 8.23 4.04 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 31 K 8.09 4.00 0.00 1.94 1.82 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.46 7.81 32 T 7.79 3.54 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 0.30 0.00 0.00 33 W 8.49 4.28 0.00 3.35 3.22 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 0.00 0.00 0.00 34 E 8.51 3.95 0.00 2.24 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 0.00 2.35 2.43 0.00 35 S 8.47 4.16 0.00 3.78 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 36 Y 8.40 4.36 0.00 2.78 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 37 H 8.20 4.05 0.00 3.16 3.20 0.00 5.82 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 38 L 8.04 3.99 0.00 1.85 1.93 1.07 1.00 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 39 I 7.88 3.68 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.58 0.87 0.00 0.00 40 R 8.04 3.82 0.00 1.78 2.02 0.00 3.00 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 41 D 8.39 4.31 0.00 2.86 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 42 S 8.39 4.08 0.00 3.95 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 43 M 8.00 4.10 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 44 R 8.14 4.24 0.00 1.88 2.01 0.00 3.22 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 45 G 7.60 3.83 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 0.00 0.00 0.00 46 D 8.15 4.78 0.00 2.65 2.65 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 47 T 7.14 4.66 4.22 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 0.00 0.00 1.21 0.00 0.00 48 P 0.00 4.60 0.00 2.18 2.11 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.92 0.00 49 E 8.75 3.96 0.00 1.94 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 2.28 0.00 50 V 7.47 4.26 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 0.76 0.00 0.00 0.91 0.00 0.00 51 L 8.27 4.10 0.00 1.27 0.94 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.38 4.58 0.00 3.01 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.63 4.91 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.84 4.96 0.00 2.89 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 55 I 7.66 3.68 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.56 0.92 0.00 0.00 56 S 8.10 4.17 0.00 4.09 4.17 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 57 S 8.02 4.12 0.00 4.09 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 0.00 58 R 8.05 3.92 0.00 2.08 2.03 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 59 V 7.99 3.55 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 1.04 0.00 0.00 0.96 0.00 0.00 60 M 8.37 4.07 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.92 0.00 61 A 8.02 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 4.12 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 63 I 7.74 3.71 2.02 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 1.78 0.82 0.91 0.00 0.00 64 E 8.28 3.99 0.00 2.13 2.02 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 2.35 2.40 0.00 65 E 7.48 4.45 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 66 E 8.17 4.20 0.00 1.85 1.73 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 2.21 2.23 0.00