NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.5585 8.4331 116.3255 54.4659 30.0432 172.7414 0 G 3.7402 9.1316 114.5015 42.8826 0.0000 172.4223 1 S 4.5305 7.6287 113.0572 56.0088 67.2097 173.6070 2 A 4.0626 8.5679 122.6428 54.9194 18.1771 179.9043 3 S 4.0741 7.5353 111.1329 60.8902 62.8571 175.2117 4 F 4.6682 8.1447 117.1042 56.9064 39.0389 175.1980 5 L 4.6994 7.3620 120.7776 52.4051 43.5164 176.5735 6 K 4.1192 8.5528 121.1032 56.4753 32.0776 177.2266 7 K 4.1878 8.9680 126.3113 58.9183 32.5148 176.5523 8 T 4.8862 7.5692 105.6022 60.0015 72.0602 172.4986 9 M 4.8891 8.6653 122.0510 53.5470 35.5999 172.8184 10 P 5.0766 0.0000 0.0000 62.7097 33.0006 175.0934 11 F 5.1643 8.6304 114.6654 55.5385 41.6471 173.3864 12 K 5.2050 8.7924 118.0985 55.1177 35.9243 175.4745 13 T 4.9622 9.1728 117.4018 60.5657 71.4841 172.4921 14 T 5.2217 8.4813 114.9154 60.0216 71.8144 172.9972 15 I 4.6474 9.0253 126.1964 59.3759 40.6951 174.0849 16 E 4.5579 8.4000 126.7754 54.5583 32.8647 174.5973 17 G 3.7504 6.8784 111.4986 46.5460 0.0000 171.9200 18 T 5.2989 8.4274 115.2755 61.7982 72.3006 173.8396 19 V 4.2148 8.8498 125.1008 62.0676 33.7844 175.1358 20 N 4.2114 10.0047 125.5584 54.3672 36.0386 175.4290 21 G 3.9200 8.5616 105.1446 45.5393 0.0000 173.3286 22 H 4.7458 8.3204 120.9593 54.7969 29.9157 173.3714 23 Y 4.9576 8.4426 128.9915 57.7290 40.2113 173.9356 24 F 4.9641 7.4603 118.9305 55.6768 42.0657 172.8018 25 K 4.9322 9.1083 120.7076 55.0508 35.7588 174.7559 26 C 5.5802 9.6385 123.7869 58.2203 32.6860 173.0384 27 T 5.1681 8.8891 111.5402 60.1567 71.7389 173.1207 28 G 4.6206 8.9084 108.9005 44.8486 0.0000 171.3396 29 K 5.0025 8.9051 121.7897 54.7998 36.3183 175.3917 30 G 3.6913 8.1722 112.5172 45.5887 0.0000 171.0789 31 E 5.0114 8.4750 119.3753 54.7417 33.5729 174.1752 32 G 4.5114 8.8804 110.7206 45.0853 0.0000 171.0226 33 N 5.2468 9.1237 119.6127 50.6970 39.4042 173.8424 34 P 4.1032 0.0000 0.0000 65.5087 31.5524 177.9960 35 F 4.4449 8.0516 114.0289 58.7297 39.4495 176.5536 36 E 4.2075 8.3390 118.8397 56.6396 29.7975 176.9731 37 G 3.8766 8.5026 106.8319 46.2141 0.0000 173.0272 38 T 4.9151 7.5604 108.5611 59.7925 71.9455 172.5522 39 Q 5.1086 8.3185 119.1602 55.5927 31.5629 172.8572 40 E 4.9940 9.1602 120.9797 54.9498 33.4527 173.9478 41 M 5.1952 8.6532 121.3602 53.6681 35.1449 173.6830 42 K 4.5517 9.0175 121.8375 54.8191 34.5930 174.6698 43 I 5.0572 8.3593 127.8171 59.5842 39.6885 174.6863 44 E 4.6536 9.4178 126.0670 54.3650 32.5654 175.2899 45 V 4.4156 8.5379 125.2538 62.7601 31.5490 175.2905 46 I 4.4564 9.0846 121.9092 61.3088 39.5480 175.8084 47 E 4.6323 7.9149 121.4115 55.5558 33.7762 176.5301 48 G 4.2375 8.7967 110.4437 46.6302 0.0000 173.4904 49 G 3.9785 7.6883 107.8650 43.3778 0.0000 172.3483 50 P 4.4042 0.0000 0.0000 61.5683 32.5165 176.3185 51 L 3.5887 8.1381 120.9175 54.6030 41.8077 175.6833 52 P 4.6741 0.0000 0.0000 62.4607 31.4411 175.3849 53 F 4.8942 6.6504 110.9138 54.7945 41.0194 174.1350 54 A 4.0852 8.7566 124.4648 52.5902 18.6678 178.4529 55 F 4.0912 9.1797 125.2834 61.8370 39.2494 176.6194 56 H 4.3706 8.9840 116.9624 58.0174 28.2136 176.6668 57 I 3.9499 7.4707 112.4624 62.3455 37.8856 176.9827 58 L 4.3084 7.7364 120.6085 54.7173 42.1596 178.2415 59 S 4.0420 7.3038 116.2771 61.9467 62.8322 176.5125 60 T 4.1746 7.7840 106.1825 62.8955 68.8097 174.7993 61 S 4.5532 7.8633 118.1833 59.3886 64.3617 173.8940 62 C 4.3742 7.5257 118.4659 58.3547 29.4243 173.2813 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 H 8.43 4.56 0.00 3.23 3.46 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 G 9.13 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 0.00 0.00 0.00 1 S 7.63 4.53 0.00 4.02 3.99 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 0.00 0.00 0.00 2 A 8.57 4.06 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 3 S 7.54 4.07 0.00 3.70 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.14 4.67 0.00 3.16 3.07 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 0.00 0.00 0.00 0.00 5 L 7.36 4.70 0.00 1.65 1.44 0.12 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.55 4.12 0.00 1.88 1.86 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.50 7.81 7 K 8.97 4.19 0.00 1.80 1.82 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.45 7.81 8 T 7.57 4.89 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 1.23 0.00 0.00 9 M 8.67 4.89 0.00 2.14 1.93 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 2.53 2.55 0.00 10 P 0.00 5.08 0.00 2.07 1.98 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 11 F 8.63 5.16 0.00 3.05 3.14 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 12 K 8.79 5.21 0.00 1.66 1.74 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.66 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.40 7.81 13 T 9.17 4.96 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 1.40 0.00 0.00 14 T 8.48 5.22 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 1.24 0.00 0.00 15 I 9.03 4.65 1.99 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 1.17 0.80 1.04 0.00 0.00 16 E 8.40 4.56 0.00 1.83 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 17 G 6.88 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 18 T 8.43 5.30 4.30 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 1.33 0.00 0.00 19 V 8.85 4.21 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.68 0.00 0.00 20 N 10.00 4.21 0.00 2.85 2.88 0.00 0.00 7.29 7.65 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 21 G 8.56 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 22 H 8.32 4.75 0.00 3.34 3.63 0.00 5.58 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.44 4.96 0.00 3.15 2.81 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 24 F 7.46 4.96 0.00 3.23 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 25 K 9.11 4.93 0.00 1.68 1.63 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.43 7.81 26 C 9.64 5.58 0.00 2.95 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 27 T 8.89 5.17 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 1.24 0.00 0.00 28 G 8.91 4.62 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 K 8.91 5.00 0.00 1.76 1.52 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.18 1.27 7.81 30 G 8.17 3.69 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 0.00 0.00 0.00 0.00 31 E 8.47 5.01 0.00 1.89 1.65 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 2.19 2.22 0.00 32 G 8.88 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.12 5.25 0.00 2.81 2.76 0.00 0.00 7.12 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 34 P 0.00 4.10 0.00 1.71 1.84 0.00 3.91 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 35 F 8.05 4.44 0.00 3.05 3.11 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 36 E 8.34 4.21 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 37 G 8.50 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 0.00 0.00 0.00 38 T 7.56 4.92 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 1.23 0.00 0.00 39 Q 8.32 5.11 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 40 E 9.16 4.99 0.00 2.05 1.76 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 2.20 2.26 0.00 41 M 8.65 5.20 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 42 K 9.02 4.55 0.00 1.78 1.65 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.33 7.81 43 I 8.36 5.06 1.88 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.77 1.12 0.00 0.00 44 E 9.42 4.65 0.00 1.84 1.82 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 2.18 2.19 0.00 45 V 8.54 4.42 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 0.95 0.00 0.00 0.95 0.00 0.00 46 I 9.08 4.46 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 1.32 0.85 1.00 0.00 0.00 47 E 7.91 4.63 0.00 1.97 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 2.37 2.38 0.00 48 G 8.80 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 49 G 7.69 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.40 0.00 2.12 2.01 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 51 L 8.14 3.59 0.00 1.24 0.36 0.72 0.51 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 52 P 0.00 4.67 0.00 2.16 2.03 0.00 3.05 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.56 0.00 53 F 6.65 4.89 0.00 3.05 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 54 A 8.76 4.09 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 55 F 9.18 4.09 0.00 3.09 3.05 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 0.00 0.00 0.00 56 H 8.98 4.37 0.00 3.26 3.41 0.00 6.14 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 57 I 7.47 3.95 1.77 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.36 0.88 0.00 0.00 58 L 7.74 4.31 0.00 0.81 1.44 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.30 4.04 0.00 3.90 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 60 T 7.78 4.17 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 1.19 0.00 0.00 61 S 7.86 4.55 0.00 3.97 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 62 C 7.53 4.37 0.00 3.31 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00