NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4247 8.3044 118.1943 53.7424 31.9864 174.0421 4 S 4.0923 7.4037 111.8425 57.7263 65.7135 173.0188 5 A 4.5339 9.3859 131.3335 50.7935 21.7403 173.7880 6 K 4.5345 8.1480 124.8814 55.6243 34.9993 175.6360 7 E 4.0388 8.9812 119.9156 58.0242 30.1394 175.5924 8 L 4.7638 8.1580 127.1267 53.8518 43.2686 178.6032 9 R 4.4798 8.3656 119.3738 56.2812 31.0169 172.4815 10 C 4.5854 8.2850 120.1337 55.3407 41.2514 175.0521 11 Q 3.8747 8.6632 124.2789 58.1202 28.4284 176.0615 12 C 4.4740 7.4874 116.4696 55.7611 44.7084 173.3717 13 V 4.1015 8.1275 126.7553 62.5516 33.6040 179.6050 14 K 3.7485 8.3728 124.9934 57.4261 31.0631 179.0237 15 T 4.4450 8.5184 118.8904 64.1061 73.0325 174.0600 16 T 4.3388 8.0957 124.8680 62.8926 67.0578 175.9172 17 S 4.4804 7.6487 114.8639 59.1660 63.2567 175.1307 18 Q 4.0454 7.4738 117.4179 59.3128 28.6838 177.4682 19 V 4.0508 7.1419 115.5701 61.8242 32.5692 174.8587 20 R 4.6597 8.1441 124.4172 53.6822 32.0313 173.9950 21 P 4.6122 0.0000 0.0000 61.7976 32.9068 175.7627 22 R 4.6185 8.0147 125.9732 57.7123 31.0656 175.6499 23 H 4.5884 7.9430 119.3306 54.8309 28.2444 174.5713 24 I 4.2195 7.2420 123.1539 61.3348 39.7915 175.0872 25 T 4.5321 8.2532 112.1089 62.7755 70.3610 174.3207 26 S 4.8212 7.6959 115.8460 57.1806 67.3462 173.9354 27 L 5.0681 8.2950 120.8140 54.4772 43.5892 175.3648 28 E 4.4632 8.8567 120.4837 55.7818 31.6906 175.9212 29 V 4.1664 8.2366 121.3487 61.2472 33.5231 173.5924 30 I 4.4428 8.3472 127.9069 58.8763 40.5235 175.8166 31 K 4.4964 8.3584 129.2198 55.5177 33.8959 176.4721 32 A 5.1015 7.7378 120.7680 51.3368 17.1229 178.6251 33 G 3.9483 8.0071 113.5220 45.1187 0.0000 169.2861 34 P 4.4343 0.0000 0.0000 65.3027 32.3223 177.9057 35 H 4.1783 8.3569 115.5248 57.0907 28.7009 174.7188 36 C 5.0596 7.5075 118.7319 53.5221 43.3244 172.0550 37 P 4.3880 0.0000 0.0000 63.6127 31.6037 177.1073 38 T 4.4755 7.4269 113.3227 60.5352 68.9943 173.8521 39 A 4.1583 8.4164 127.4920 51.9997 19.2989 176.6665 40 Q 4.5246 8.7325 123.1079 54.0393 32.1917 173.8739 41 L 5.0136 8.4319 127.2568 53.3705 45.6782 175.1054 42 I 4.8128 8.3859 125.0205 59.7202 41.4549 173.7228 43 A 5.0016 8.4961 123.7490 51.3852 23.4532 174.9329 44 T 5.6793 8.6883 113.3049 61.9955 73.1388 174.5744 45 L 4.9947 8.2416 125.6992 53.0232 44.0907 176.1339 46 K 4.0182 7.9658 117.6260 60.2984 32.8548 177.2729 47 N 4.5770 8.1076 118.4539 51.5866 37.0685 171.4536 48 G 4.5308 7.7486 114.0489 44.9828 0.0000 170.1711 49 R 4.7298 8.9537 121.8165 54.7231 33.2780 175.3260 50 K 5.5776 8.5888 115.9594 54.2974 36.4565 176.0034 51 I 4.7002 7.8486 120.0562 60.7222 40.7681 173.2780 52 C 5.1270 8.2129 111.4564 54.9671 44.3965 173.5505 53 L 5.2631 8.2964 121.2862 53.3957 45.3504 174.3914 54 D 4.8500 8.5098 119.0001 52.2503 41.7218 175.2349 55 L 3.4453 8.0673 115.9862 54.5445 43.9261 177.1584 56 Q 4.6659 7.8019 117.3789 54.8940 29.0100 174.9296 57 A 4.7890 7.7000 118.8028 49.2717 22.3102 175.7086 58 P 4.3961 0.0000 0.0000 63.6631 31.6552 178.3610 59 L 3.8220 7.5771 121.5332 58.7293 42.2552 178.2933 60 Y 4.2694 8.1874 116.8223 59.5423 38.1359 177.7255 61 K 3.3352 6.9804 120.1990 58.6476 31.9775 179.1346 62 K 4.0366 7.7922 119.0612 58.9648 31.9198 179.2716 63 I 3.7022 7.4124 120.0281 64.3866 37.2620 178.0673 64 I 3.6981 7.7687 120.3942 64.5748 36.9903 178.7678 65 K 3.9846 8.0295 119.1255 59.3164 31.6101 179.4738 66 K 4.1012 7.8010 117.7858 58.7177 32.0426 178.7416 67 L 4.2719 7.5915 118.2531 56.5465 41.5571 178.5667 68 L 4.2184 7.8314 119.6074 57.1534 41.5461 178.5720 69 E 3.9582 7.9261 117.1765 59.2032 29.1600 177.3362 70 S 4.3272 7.5927 117.3150 58.3117 63.3895 173.7206 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 3 M 8.30 4.42 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 4 S 7.40 4.09 0.00 3.87 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 5 A 9.39 4.53 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 6 K 8.15 4.53 0.00 1.69 1.68 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 7 E 8.98 4.04 0.00 2.07 2.00 0.00 0.00 0.00 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 2.35 0.00 8 L 8.16 4.76 0.00 1.59 1.53 1.05 0.92 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 9 R 8.37 4.48 0.00 1.75 1.82 0.00 3.26 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 10 C 8.28 4.59 0.00 2.99 2.95 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 11 Q 8.66 3.87 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 12 C 7.49 4.47 0.00 2.92 2.94 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 13 V 8.13 4.10 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 0.80 0.00 0.00 0.92 0.00 0.00 14 K 8.37 3.75 0.00 1.91 1.00 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.43 7.81 15 T 8.52 4.45 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 1.29 0.00 0.00 16 T 8.10 4.34 4.54 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 0.00 0.00 0.00 1.22 0.00 0.00 17 S 7.65 4.48 0.00 3.87 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 18 Q 7.47 4.05 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 19 V 7.14 4.05 2.10 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 0.71 0.00 0.00 0.94 0.00 0.00 20 R 8.14 4.66 0.00 1.79 1.77 0.00 3.28 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 21 P 0.00 4.61 0.00 2.23 2.05 0.00 3.95 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 22 R 8.01 4.62 0.00 1.81 1.69 0.00 3.17 0.00 0.00 3.22 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.34 0.00 23 H 7.94 4.59 0.00 3.30 3.46 0.00 5.46 0.00 0.00 0.00 0.00 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.24 4.22 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.96 0.93 0.00 0.00 25 T 8.25 4.53 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 1.23 0.00 0.00 26 S 7.70 4.82 0.00 3.75 3.74 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 27 L 8.29 5.07 0.00 1.73 1.61 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.86 4.46 0.00 1.96 1.89 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 2.29 2.25 0.00 29 V 8.24 4.17 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 0.83 0.00 0.00 0.95 0.00 0.00 30 I 8.35 4.44 1.87 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 1.12 1.60 0.95 0.00 0.00 31 K 8.36 4.50 0.00 1.75 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.41 7.81 32 A 7.74 5.10 1.25 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 0.00 0.00 0.00 33 G 8.01 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 0.00 0.00 0.00 34 P 0.00 4.43 0.00 2.26 2.25 0.00 3.85 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 2.11 1.97 0.00 35 H 8.36 4.18 0.00 3.36 3.62 0.00 5.41 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.51 5.06 0.00 2.49 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 37 P 0.00 4.39 0.00 2.20 2.15 0.00 3.36 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 38 T 7.43 4.48 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 1.17 0.00 0.00 39 A 8.42 4.16 1.17 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 0.00 0.00 40 Q 8.73 4.52 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 41 L 8.43 5.01 0.00 1.61 1.56 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.39 4.81 1.87 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 1.15 1.05 1.01 0.00 0.00 43 A 8.50 5.00 1.23 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 0.00 0.00 0.00 44 T 8.69 5.68 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 1.29 0.00 0.00 45 L 8.24 4.99 0.00 1.49 1.56 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.97 4.02 0.00 1.84 1.97 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.27 7.81 47 N 8.11 4.58 0.00 2.74 2.80 0.00 0.00 6.98 7.55 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 48 G 7.75 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.95 4.73 0.00 1.94 2.03 0.00 2.73 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 50 K 8.59 5.58 0.00 1.68 1.76 0.00 1.66 0.00 0.00 2.41 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.46 7.81 51 I 7.85 4.70 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.92 0.00 0.00 52 C 8.21 5.13 0.00 3.17 3.15 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 53 L 8.30 5.26 0.00 1.47 1.67 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.51 4.85 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 3.45 0.00 1.37 1.53 0.44 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.80 4.67 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 57 A 7.70 4.79 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 58 P 0.00 4.40 0.00 2.27 2.29 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 59 L 7.58 3.82 0.00 1.88 1.79 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.19 4.27 0.00 3.28 3.27 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 61 K 6.98 3.34 0.00 1.52 1.66 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.89 1.12 7.81 62 K 7.79 4.04 0.00 2.00 1.82 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 63 I 7.41 3.70 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.56 0.95 0.00 0.00 64 I 7.77 3.70 1.70 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 1.58 0.81 0.89 0.00 0.00 65 K 8.03 3.98 0.00 1.84 1.81 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.56 7.81 66 K 7.80 4.10 0.00 1.98 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 67 L 7.59 4.27 0.00 1.78 1.72 0.94 1.06 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 68 L 7.83 4.22 0.00 1.82 1.69 0.93 0.74 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 69 E 7.93 3.96 0.00 2.11 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 2.31 2.44 0.00 70 S 7.59 4.33 0.00 4.02 3.88 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 0.00 0.00 0.00