NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.6119 8.1593 111.0818 61.7895 70.3837 172.5527 6 I 4.3629 8.5794 116.5460 58.5681 40.7086 172.4858 7 R 5.1006 9.2623 124.7112 55.0111 32.0012 176.6045 8 V 4.7065 8.8300 118.5250 59.6390 36.7978 174.2461 9 I 4.9607 8.8635 122.0252 59.6928 40.3245 174.9524 10 V 4.6034 8.8358 127.7015 61.3280 33.5885 174.5147 11 S 5.0006 8.9747 124.6735 57.6254 64.6613 173.7817 12 V 4.7374 8.7755 116.5467 60.0989 36.4719 173.9760 13 D 4.6678 9.0156 121.9193 52.8083 41.3333 177.3605 14 K 3.9887 8.9006 126.4550 59.4272 32.3398 178.9518 15 A 4.2486 8.1355 120.2757 53.7467 18.4718 178.0300 16 K 4.6252 8.1491 113.7301 55.7198 32.9231 175.6085 17 F 5.0941 8.0189 119.4942 56.2341 42.3420 173.4005 18 N 4.8086 8.5121 125.8184 50.3284 41.1448 173.4511 19 P 4.1431 0.0000 0.0000 66.0244 31.2193 178.1819 20 H 4.1002 8.8668 116.3201 58.3016 28.2310 177.0083 21 E 3.8924 7.7839 120.5824 59.4629 29.5861 178.9951 22 V 4.0089 7.4742 110.1748 62.3226 31.9129 178.1799 23 L 4.4834 7.4492 121.5123 56.9196 41.2756 179.3045 24 G 3.6713 8.1576 106.8856 47.6845 0.0000 173.9225 25 I 4.1442 7.8459 111.5459 60.6057 37.8209 176.2628 26 G 3.9252 8.3086 108.8686 45.4381 0.0000 174.1485 27 G 4.0959 7.8129 106.9392 45.9043 0.0000 172.9640 28 H 5.1693 8.9866 116.5965 53.4911 32.3600 172.4266 29 I 4.2343 8.4577 121.6529 61.5344 37.3022 175.4857 30 V 4.1441 8.8801 127.6441 64.7459 32.6924 175.6793 31 Y 4.6378 7.6238 119.9846 56.4887 42.2733 172.9028 32 Q 4.6847 7.7671 125.6721 53.9263 30.1721 175.5659 33 F 4.3319 8.6729 123.9841 57.7425 39.0611 176.1110 34 K 4.2366 9.0143 121.2995 57.8781 32.5601 177.7258 35 L 4.6650 8.0816 116.0323 54.3350 43.1073 176.0886 36 I 4.6885 7.4104 110.9008 58.2622 40.9152 174.0004 37 P 4.7508 0.0000 0.0000 61.5013 29.7418 174.3145 38 A 5.2764 7.7520 127.0847 51.4025 23.6443 175.7039 39 V 4.9637 8.8001 118.5241 60.0402 35.2683 174.6076 40 V 4.5643 8.8764 124.6794 62.3669 32.8492 175.1066 41 V 4.9631 9.0163 120.6802 59.7495 36.0927 174.0191 42 D 5.2520 8.7575 123.9924 53.1051 42.7047 176.0931 43 V 4.7692 8.8491 115.6036 58.9206 37.0044 172.7815 44 P 4.4370 0.0000 0.0000 62.7886 31.6676 177.5097 45 A 4.1786 8.8411 125.9720 55.1899 18.3028 178.1988 46 N 4.4959 8.1438 110.9515 54.5343 38.2494 176.0667 47 A 4.5021 8.2080 120.9500 52.1337 19.1468 178.8205 48 V 3.5793 7.6476 119.2106 66.2111 31.7746 178.2760 49 G 3.6936 8.0880 104.8285 47.5635 0.0000 175.6633 50 K 4.0803 7.9185 120.6941 59.3330 32.0183 179.3811 51 L 4.0369 7.8230 118.9816 57.7167 41.2979 179.6004 52 K 3.9571 7.4804 116.8956 58.8362 32.0363 178.4313 53 K 4.3730 7.4529 116.0425 55.7072 32.9656 176.8894 54 M 4.3407 7.5326 120.4892 54.0558 32.6640 174.1507 55 P 4.4300 0.0000 0.0000 64.3998 32.0474 177.2506 56 G 4.0423 9.0659 110.7751 45.3586 0.0000 173.0078 57 V 4.1009 7.5339 120.2264 62.6795 32.0004 174.9852 58 E 4.5065 9.0857 126.9765 57.7301 31.2041 176.3689 59 K 4.5587 7.5818 117.9822 55.0656 35.9796 174.6368 60 V 4.7635 8.2909 125.0748 61.1247 33.8688 174.3503 61 E 4.7660 8.9062 127.1243 54.2284 32.9263 175.8767 62 F 4.3992 8.7600 121.4217 57.5307 40.2192 174.5952 63 D 4.6284 8.6663 121.2289 53.8037 41.4247 175.8750 64 H 4.8432 8.6638 123.7227 54.7551 30.6498 174.3705 65 Q 4.6279 8.4637 118.1847 54.2415 31.2346 175.2192 66 A 4.8728 8.4206 123.7965 50.4154 21.9727 175.7582 67 V 4.5780 7.8189 111.5306 58.7370 35.5699 175.9831 68 L 4.0433 8.4846 122.0589 56.4051 40.6255 177.3011 69 L 4.3130 8.3621 119.6425 55.0044 42.0003 176.3399 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 5 T 8.16 4.61 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 6 I 8.58 4.36 1.97 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 1.31 1.41 0.98 0.00 0.00 7 R 9.26 5.10 0.00 1.93 1.87 0.00 3.19 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 8 V 8.83 4.71 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 0.42 0.00 0.00 0.90 0.00 0.00 9 I 8.86 4.96 1.89 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 1.24 0.82 1.03 0.00 0.00 10 V 8.84 4.60 1.96 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 0.87 0.00 0.00 0.89 0.00 0.00 11 S 8.97 5.00 0.00 3.69 3.67 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 0.00 0.00 0.00 12 V 8.78 4.74 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 0.74 0.00 0.00 13 D 9.02 4.67 0.00 2.87 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 14 K 8.90 3.99 0.00 1.85 1.90 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.42 7.81 15 A 8.14 4.25 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 4.63 0.00 1.77 1.84 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 17 F 8.02 5.09 0.00 2.88 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.51 4.81 0.00 2.57 2.38 0.00 0.00 6.71 8.09 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 19 P 0.00 4.14 0.00 2.22 2.37 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.20 0.00 20 H 8.87 4.10 0.00 3.15 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.78 3.89 0.00 1.60 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 2.24 2.19 0.00 22 V 7.47 4.01 2.13 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 1.12 0.00 0.00 1.03 0.00 0.00 23 L 7.45 4.48 0.00 1.72 1.72 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.16 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.85 4.14 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.92 0.00 0.00 26 G 8.31 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 0.00 0.00 0.00 27 G 7.81 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 0.00 0.00 0.00 28 H 8.99 5.17 0.00 3.10 3.34 0.00 5.26 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.46 4.23 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.92 0.00 0.00 30 V 8.88 4.14 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 0.74 0.00 0.00 0.96 0.00 0.00 31 Y 7.62 4.64 0.00 2.90 2.44 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 0.00 0.00 0.00 0.00 32 Q 7.77 4.68 0.00 1.73 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 33 F 8.67 4.33 0.00 3.21 3.01 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 34 K 9.01 4.24 0.00 1.82 1.90 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.43 7.81 35 L 8.08 4.67 0.00 1.68 1.72 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.41 4.69 1.72 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.42 0.79 0.00 0.00 37 P 0.00 4.75 0.00 2.39 2.24 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 38 A 7.75 5.28 1.22 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 0.00 0.00 39 V 8.80 4.96 2.15 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 0.93 0.00 0.00 1.07 0.00 0.00 40 V 8.88 4.56 2.12 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 1.00 0.00 0.00 0.99 0.00 0.00 41 V 9.02 4.96 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 0.75 0.00 0.00 0.97 0.00 0.00 42 D 8.76 5.25 0.00 2.17 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.85 4.77 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 0.70 0.00 0.00 0.95 0.00 0.00 44 P 0.00 4.44 0.00 2.18 2.08 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 45 A 8.84 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.14 4.50 0.00 2.86 2.97 0.00 0.00 5.92 7.26 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 47 A 8.21 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.65 3.58 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 0.83 0.00 0.00 0.96 0.00 0.00 49 G 8.09 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 50 K 7.92 4.08 0.00 2.08 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 51 L 7.82 4.04 0.00 1.83 1.71 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.48 3.96 0.00 2.04 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.58 7.81 53 K 7.45 4.37 0.00 1.69 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.47 7.81 54 M 7.53 4.34 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.54 0.00 55 P 0.00 4.43 0.00 2.07 2.04 0.00 3.95 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 56 G 9.07 4.04 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 0.00 0.00 0.00 57 V 7.53 4.10 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 0.80 0.00 0.00 1.03 0.00 0.00 58 E 9.09 4.51 0.00 1.87 1.93 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 2.23 2.33 0.00 59 K 7.58 4.56 0.00 1.75 1.53 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.41 7.81 60 V 8.29 4.76 1.96 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 0.66 0.00 0.00 0.86 0.00 0.00 61 E 8.91 4.77 0.00 1.88 1.80 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 2.20 2.20 0.00 62 F 8.76 4.40 0.00 2.82 2.85 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 63 D 8.67 4.63 0.00 2.90 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.66 4.84 0.00 3.20 3.25 0.00 5.89 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.46 4.63 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 66 A 8.42 4.87 1.22 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 0.00 0.00 67 V 7.82 4.58 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 0.80 0.00 0.00 0.93 0.00 0.00 68 L 8.48 4.04 0.00 1.75 1.69 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.36 4.31 0.00 1.62 1.57 0.92 0.84 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