NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9572 8.2048 117.5888 54.8120 32.7430 175.7809 2 K 3.7444 7.9789 119.6403 56.3046 30.4744 174.3141 3 A 4.1729 9.0360 126.4870 52.2957 19.5186 177.3249 4 C 4.5918 8.4223 119.9978 57.2604 38.2160 173.7830 5 T 3.9762 8.3934 115.9998 64.2282 68.2077 175.9682 6 L 3.9123 8.8738 126.8674 56.9966 41.9080 177.0875 7 N 4.4727 7.3704 115.9389 53.0176 39.0194 173.7378 8 C 4.6409 8.4980 117.2111 57.0200 42.1264 172.8915 9 D 4.8557 8.6845 124.8463 51.6111 41.8877 175.3656 10 P 4.2888 0.0000 0.0000 65.6960 31.1594 177.7435 11 R 4.1117 8.1261 117.8773 58.5400 30.3903 176.9551 12 I 3.9768 7.8655 118.4089 61.1144 37.4874 174.1656 13 A 4.6726 8.6329 126.6911 53.0300 21.3286 176.3034 14 Y 5.2772 7.1081 109.9054 55.9817 42.3890 173.0295 15 G 3.6695 8.6980 104.2495 45.0736 0.0000 172.5124 16 V 4.7242 7.9817 120.7496 61.4666 35.3281 173.2999 17 C 5.0425 8.5274 119.5513 54.8701 44.7540 171.5896 18 P 4.0167 0.0000 0.0000 63.9827 30.9717 175.9460 19 R 3.6723 8.7073 124.8112 55.9857 27.2671 175.3065 20 S 4.4763 7.4480 112.2074 57.6531 66.1980 175.1968 21 E 4.5839 8.1461 135.0000 53.7891 28.3541 176.7708 22 E 3.9121 9.0795 120.0513 54.7625 30.1995 173.3454 23 K 4.0165 8.3554 125.3995 56.4876 33.3952 176.9498 24 K 3.8600 7.7243 122.8120 54.4339 31.6899 178.2797 25 N 4.0848 6.1711 110.5421 52.7507 41.0133 172.8773 26 D 4.2480 8.0130 117.2048 52.7197 41.4268 177.3000 27 R 4.4299 8.3976 127.6335 55.2480 28.4904 175.2916 28 I 4.1812 8.2326 123.3779 60.4776 39.4088 174.6148 29 C 4.6500 8.5580 123.5095 56.6295 44.9922 172.1941 30 T 4.4639 8.0473 120.0044 61.9353 70.8418 171.0665 31 N 4.9661 7.9231 119.6316 52.1240 42.2686 175.4116 32 C 3.4047 8.3436 122.6598 59.4180 43.2015 176.3624 33 C 3.8329 8.1294 118.6395 59.0042 43.0392 174.5979 34 A 3.9221 7.5591 121.7554 53.5970 19.5336 180.0025 35 G 3.8834 7.9685 103.3226 45.4532 0.0000 172.7983 36 T 4.5562 7.9429 122.2210 62.0678 72.4551 172.4405 37 K 4.0432 8.6080 123.4128 57.8124 32.5720 176.9153 38 G 4.0354 8.8225 112.0863 46.2572 0.0000 173.8677 39 C 4.8525 7.6227 117.1159 56.2613 43.6252 172.9907 40 K 4.6645 8.6274 119.2483 56.2585 34.7466 174.6303 41 Y 4.4918 9.0862 124.7583 55.9957 39.7914 175.2255 42 F 5.2532 8.0348 118.6247 54.9556 41.8388 175.2045 43 S 5.0585 8.6682 116.1965 57.5852 63.9465 173.7056 44 D 4.9854 8.5288 118.7545 55.1482 41.6486 176.6989 45 D 4.7138 8.2327 117.0336 53.4885 40.0743 175.8700 46 G 3.6211 8.7572 104.5560 45.9626 0.0000 175.7545 47 T 4.4349 7.2513 114.6178 62.2500 71.9884 174.0761 48 F 4.7218 8.9305 129.3830 58.4716 39.4312 173.1954 49 V 3.8771 6.4404 124.9685 62.6249 31.7871 174.2001 50 C 4.2315 6.5239 111.4887 54.6555 44.8596 171.6700 51 E 5.0092 8.5627 119.9419 54.8388 30.8426 175.8110 52 G 4.2205 8.5983 114.2713 45.1664 0.0000 173.1643 53 E 4.7232 8.8979 113.1648 55.9356 29.9098 175.9152 54 S 4.5096 8.3775 119.4630 58.6882 64.6192 171.4528 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 8.20 4.96 0.00 2.14 2.28 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 2.46 2.53 0.00 2 K 7.98 3.74 0.00 1.81 1.82 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.55 7.81 3 A 9.04 4.17 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 4 C 8.42 4.59 0.00 2.89 3.02 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 0.00 0.00 0.00 5 T 8.39 3.98 4.20 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 1.26 0.00 0.00 6 L 8.87 3.91 0.00 1.61 1.73 0.91 1.07 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 7 N 7.37 4.47 0.00 2.63 2.77 0.00 0.00 6.99 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 8 C 8.50 4.64 0.00 2.96 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 9 D 8.68 4.86 0.00 2.67 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 10 P 0.00 4.29 0.00 2.21 2.18 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 11 R 8.13 4.11 0.00 2.01 1.96 0.00 3.07 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 12 I 7.87 3.98 2.06 0.00 0.00 0.70 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 0.74 0.95 0.00 0.00 13 A 8.63 4.67 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.11 5.28 0.00 3.29 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.70 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 16 V 7.98 4.72 2.30 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 1.13 0.00 0.00 1.19 0.00 0.00 17 C 8.53 5.04 0.00 2.84 2.93 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 18 P 0.00 4.02 0.00 2.04 2.07 0.00 3.82 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 2.05 2.11 0.00 19 R 8.71 3.67 0.00 1.94 1.95 0.00 3.28 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 20 S 7.45 4.48 0.00 4.10 3.78 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 0.00 0.00 0.00 0.00 21 E 8.15 4.58 0.00 1.91 1.12 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 0.00 2.28 2.35 0.00 22 E 9.08 3.91 0.00 2.16 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 2.26 2.26 0.00 23 K 8.36 4.02 0.00 1.67 1.74 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 1.32 7.81 24 K 7.72 3.86 0.00 1.76 1.68 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.32 7.81 25 N 6.17 4.08 0.00 2.49 2.62 0.00 0.00 6.96 8.04 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 26 D 8.01 4.25 0.00 2.66 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 27 R 8.40 4.43 0.00 2.02 1.97 0.00 3.28 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 28 I 8.23 4.18 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.97 0.00 0.00 29 C 8.56 4.65 0.00 3.00 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 30 T 8.05 4.46 4.34 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 1.41 0.00 0.00 31 N 7.92 4.97 0.00 2.81 2.39 0.00 0.00 6.57 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 32 C 8.34 3.40 0.00 2.78 2.82 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 0.00 0.00 0.00 33 C 8.13 3.83 0.00 2.91 2.98 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 34 A 7.56 3.92 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 35 G 7.97 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 36 T 7.94 4.56 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 37 K 8.61 4.04 0.00 1.80 1.69 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.45 7.81 38 G 8.82 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 39 C 7.62 4.85 0.00 3.06 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 40 K 8.63 4.66 0.00 1.56 1.82 0.00 1.36 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.40 7.81 41 Y 9.09 4.49 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 5.25 0.00 2.74 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 43 S 8.67 5.06 0.00 4.04 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 44 D 8.53 4.99 0.00 2.83 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 45 D 8.23 4.71 0.00 2.86 2.78 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 0.00 0.00 0.00 0.00 46 G 8.76 3.62 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 47 T 7.25 4.43 4.36 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 1.25 0.00 0.00 48 F 8.93 4.72 0.00 2.99 3.03 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 0.00 0.00 0.00 49 V 6.44 3.88 1.92 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 0.61 0.00 0.00 0.83 0.00 0.00 50 C 6.52 4.23 0.00 2.85 2.89 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 0.00 0.00 0.00 51 E 8.56 5.01 0.00 2.24 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 2.38 2.52 0.00 52 G 8.60 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 0.00 0.00 0.00 0.00 53 E 8.90 4.72 0.00 2.15 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 0.00 2.20 2.29 0.00 54 S 8.38 4.51 0.00 4.07 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