NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4845 8.1633 120.3268 54.6435 34.0633 176.8864 2 K 3.7486 8.1386 118.4495 58.9697 31.6971 176.6766 3 A 4.0855 8.8498 131.3639 54.7208 20.6741 180.0861 4 K 3.8514 7.4669 117.6599 59.7228 32.2008 177.9124 5 E 4.0849 7.6966 115.7558 59.0803 29.6138 177.8654 6 L 4.0065 7.7675 118.2321 55.6059 42.1269 177.3680 7 R 3.9015 8.5131 117.9778 57.3274 28.6776 176.3957 8 E 4.1803 7.9268 113.9396 56.1086 30.1323 173.1511 9 K 3.7850 7.8018 126.6111 55.6466 32.6698 175.9333 10 S 4.0646 8.6868 118.8640 62.3520 62.8644 176.5249 11 V 3.4648 8.0196 121.3739 66.0526 30.8049 177.2743 12 E 4.0596 8.1508 118.3921 59.6848 29.6851 179.2290 13 E 4.4875 7.9730 119.3654 58.7790 29.5190 178.6935 14 L 3.9298 7.9945 120.7461 58.5259 41.8521 178.9016 15 N 4.5462 7.6060 113.6319 56.3300 37.7518 176.3887 16 T 3.8634 8.0895 119.2078 66.1289 68.3164 175.6546 17 E 4.7067 8.1080 120.4104 59.0315 29.4015 178.7288 18 L 3.8826 7.5088 119.4956 58.3042 41.8223 178.8421 19 L 3.9642 7.5346 116.8001 58.3244 41.8030 178.7631 20 N 5.0521 8.1818 116.4847 56.3482 38.4252 176.9877 21 L 4.2601 8.3950 119.6540 56.7306 41.7567 176.6427 22 L 4.0155 8.1725 124.4806 56.5759 43.0251 175.4855 23 R 4.4462 8.8425 128.2596 57.2688 29.0209 178.2126 24 E 3.9133 7.9566 117.5043 58.9826 29.8709 178.4698 25 Q 4.3117 7.7263 117.4316 57.8452 30.5227 176.7614 26 F 4.2047 8.4507 121.8861 60.6888 39.3817 176.4528 27 N 4.1266 9.0009 116.1843 56.6399 38.5468 177.0182 28 L 3.9195 8.0482 119.4059 58.1018 41.4603 179.6631 29 R 3.8565 7.6187 116.1411 59.6034 30.2472 178.5447 30 M 3.9616 7.5596 117.5982 58.4800 31.9666 178.1491 31 Q 4.5464 8.9298 120.8896 58.7999 29.0317 178.8430 32 A 4.1073 8.4069 119.8150 54.5911 18.3929 178.7364 33 A 4.2589 7.9462 118.4490 53.4716 18.9328 178.1710 34 S 4.6663 7.7769 112.4588 58.3418 64.2572 175.3151 35 G 3.9352 7.6556 113.2407 44.2728 0.0000 177.5266 36 Q 2.9841 9.0769 123.2987 55.6736 28.0514 172.2768 37 L 3.7580 5.6200 129.5349 55.9456 42.2361 176.0297 38 Q 4.6764 8.5698 124.2356 56.0370 29.2729 176.6921 39 Q 4.6885 7.6378 118.5490 54.7806 28.5221 176.1573 40 S 4.1084 8.2676 117.9076 61.7788 63.4625 176.0310 41 H 4.1241 8.5442 119.0041 58.4229 27.4985 176.8536 42 L 4.1153 7.2405 120.2513 57.8007 41.6109 179.1061 43 L 4.0970 7.8407 116.8265 57.5368 41.4248 179.0721 44 K 4.0354 8.3585 119.9619 61.4323 32.4356 177.2287 45 Q 4.4420 8.9354 121.3993 55.7816 30.5591 174.1419 46 V 3.3583 8.9121 118.3505 64.5811 32.0788 175.1766 47 R 4.0146 8.1374 116.3202 59.7074 30.4303 178.5789 48 R 4.1641 7.4275 117.0911 59.7124 30.1280 178.5142 49 D 4.3221 8.0529 117.6317 57.3349 40.5397 178.5934 50 V 3.5233 8.5530 119.2537 66.7667 31.1514 177.2787 51 A 3.9350 9.0081 120.6912 55.5250 17.7313 179.3473 52 R 3.8242 8.5808 114.7125 59.5442 30.2042 179.0387 53 V 3.6410 8.0908 117.1983 66.4643 31.6725 178.3398 54 K 4.1160 8.9802 116.9248 59.3391 30.4856 179.4126 55 T 4.0519 8.9064 117.3939 67.5071 68.5558 175.3406 56 L 4.7543 8.5725 120.9658 54.7545 44.1398 175.3426 57 L 4.0657 8.5558 122.0880 56.2991 39.6228 176.0918 58 N 4.2503 7.0253 112.8658 55.4554 38.8993 176.2046 59 E 4.0160 8.6663 117.6260 59.9093 30.3854 179.8306 60 K 3.6633 8.3051 118.9396 58.8164 32.1888 176.4591 61 A 3.9479 8.4279 120.9770 52.0272 18.4814 176.3456 62 G 3.5484 7.7331 119.0347 45.1345 0.0000 172.8746 63 A 4.1899 7.5534 129.3388 52.0782 19.3106 176.8380 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 8.16 4.48 0.00 2.44 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 2 K 8.14 3.75 0.00 1.89 1.64 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 3 A 8.85 4.09 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 4 K 7.47 3.85 0.00 1.88 2.01 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.44 7.81 5 E 7.70 4.08 0.00 2.03 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 2.71 2.43 0.00 6 L 7.77 4.01 0.00 1.91 1.60 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.51 3.90 0.00 1.90 1.98 0.00 3.28 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 8 E 7.93 4.18 0.00 2.31 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 2.33 2.46 0.00 9 K 7.80 3.78 0.00 2.21 1.79 0.00 1.67 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.47 7.81 10 S 8.69 4.06 0.00 4.04 4.15 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 11 V 8.02 3.46 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 12 E 8.15 4.06 0.00 2.35 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 2.32 2.48 0.00 13 E 7.97 4.49 0.00 2.26 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 2.50 2.32 0.00 14 L 7.99 3.93 0.00 1.83 1.68 0.92 0.48 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 15 N 7.61 4.55 0.00 2.98 2.93 0.00 0.00 7.10 7.59 0.00 0.00 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 T 8.09 3.86 4.39 0.00 0.00 0.00 0.00 0.00 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 17 E 8.11 4.71 0.00 2.23 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 2.37 2.60 0.00 18 L 7.51 3.88 0.00 1.96 1.89 0.90 0.59 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 19 L 7.53 3.96 0.00 1.87 1.74 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.18 5.05 0.00 2.95 2.88 0.00 0.00 7.63 6.74 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 21 L 8.39 4.26 0.00 1.69 1.74 0.97 0.82 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 22 L 8.17 4.02 0.00 1.62 1.85 0.82 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.84 4.45 0.00 2.10 2.28 0.00 3.68 0.00 0.00 3.19 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 24 E 7.96 3.91 0.00 2.10 2.32 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 2.40 2.35 0.00 25 Q 7.73 4.31 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 26 F 8.45 4.20 0.00 3.13 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 27 N 9.00 4.13 0.00 3.02 2.92 0.00 0.00 7.15 6.32 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 28 L 8.05 3.92 0.00 1.85 1.72 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.62 3.86 0.00 1.77 1.79 0.00 3.16 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 30 M 7.56 3.96 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 31 Q 8.93 4.55 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 32 A 8.41 4.11 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 33 A 7.95 4.26 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 34 S 7.78 4.67 0.00 4.15 3.85 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 0.00 0.00 0.00 35 G 7.66 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 36 Q 9.08 2.98 0.00 2.22 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.68 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 37 L 5.62 3.76 0.00 1.65 1.65 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.57 4.68 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.06 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 39 Q 7.64 4.69 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 40 S 8.27 4.11 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.54 4.12 0.00 3.39 3.61 0.00 5.49 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.24 4.12 0.00 1.86 1.73 0.63 1.38 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 43 L 7.84 4.10 0.00 1.77 1.73 0.91 0.83 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 44 K 8.36 4.04 0.00 1.80 2.01 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.54 7.81 45 Q 8.94 4.44 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 5.95 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 46 V 8.91 3.36 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 0.97 0.00 0.00 1.00 0.00 0.00 47 R 8.14 4.01 0.00 1.89 2.00 0.00 3.21 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.04 0.00 48 R 7.43 4.16 0.00 1.72 2.00 0.00 3.29 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 49 D 8.05 4.32 0.00 2.99 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 50 V 8.55 3.52 2.26 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 1.01 0.00 0.00 0.98 0.00 0.00 51 A 9.01 3.93 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 52 R 8.58 3.82 0.00 2.02 2.02 0.00 3.28 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 1.66 1.68 0.00 53 V 8.09 3.64 2.21 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 0.83 0.00 0.00 1.02 0.00 0.00 54 K 8.98 4.12 0.00 1.81 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.61 7.81 55 T 8.91 4.05 4.40 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 1.21 0.00 0.00 56 L 8.57 4.75 0.00 1.68 1.66 0.97 0.99 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 57 L 8.56 4.07 0.00 2.00 1.84 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.03 4.25 0.00 2.91 2.70 0.00 0.00 7.14 7.54 0.00 0.00 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 E 8.67 4.02 0.00 2.18 2.25 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 2.38 2.41 0.00 60 K 8.31 3.66 0.00 1.73 2.07 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.41 7.81 61 A 8.43 3.95 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 62 G 7.73 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.55 4.19 1.18 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