NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2474 8.2549 117.2738 55.0206 30.5379 175.1882 4 P 4.2418 0.0000 0.0000 61.6001 32.1772 176.3169 5 S 4.2072 8.6595 118.3066 61.5906 63.5870 176.6424 6 L 4.0170 8.0353 122.0738 59.1429 39.6749 179.9846 7 C 4.5314 8.1717 116.5841 59.5885 40.1760 174.7148 8 D 4.6637 7.8563 119.2549 53.0027 41.1381 176.6854 9 L 4.2577 7.2779 120.8939 53.4487 42.3685 175.3083 10 P 4.3666 0.0000 0.0000 62.0404 32.0848 175.9762 11 A 3.3604 7.8543 122.7943 51.8951 18.5814 176.6658 12 D 4.7807 7.7884 121.3464 52.2569 43.6965 175.9776 13 S 4.7177 8.2407 122.3192 59.5169 63.3687 175.0699 14 G 4.2885 8.6129 107.6724 44.6013 0.0000 173.7800 15 S 4.6217 8.3323 115.3515 57.8906 63.2440 174.4991 16 G 3.8846 7.7539 110.8688 45.5490 0.0000 173.7599 17 T 4.5199 8.1184 107.4463 61.2552 69.8417 174.5054 18 K 4.3124 8.1628 122.5527 56.1840 34.1698 175.8682 19 A 4.9609 8.4422 123.1802 50.0676 19.7950 174.9369 20 E 4.7886 9.3126 120.3073 54.8134 34.2766 174.6967 21 K 4.6982 8.4987 119.3530 54.9307 34.7497 176.0304 22 R 4.7604 8.3370 122.1822 54.6258 35.2360 173.7709 23 I 5.4643 9.1592 120.7039 60.1247 40.3012 174.8508 24 Y 5.4450 9.1247 122.6735 55.6706 41.6267 173.0899 25 Y 4.6329 9.7065 122.8306 56.7222 40.7505 173.8170 26 N 4.5072 8.2912 126.5473 51.9080 38.9277 175.4065 27 S 3.8880 8.5103 123.7033 61.3634 63.4777 177.3498 28 A 3.9446 8.0164 122.1267 55.3378 18.2005 178.6341 29 R 4.0652 8.2309 111.6272 56.0812 30.7192 176.5928 30 K 3.6255 7.3741 116.3285 55.8563 30.4150 174.2889 31 Q 4.5210 6.8376 114.3474 54.6704 34.1648 176.3719 32 C 4.9777 8.6900 118.9898 55.9569 40.4368 173.2445 33 L 4.7263 7.7724 124.1526 52.8122 44.4344 176.4689 34 R 5.6183 8.7746 119.2075 55.8746 31.5155 175.7710 35 F 4.9807 8.2998 113.6799 56.2348 40.9486 172.4525 36 D 5.0920 8.7517 120.0301 53.8978 42.2299 174.7778 37 Y 5.1981 8.6572 125.0182 56.0259 41.8355 175.7676 38 T 4.6638 7.8548 115.2130 60.8368 70.0556 176.2414 39 G 3.6475 7.9109 110.0361 45.2045 0.0000 172.9576 40 Q 4.4724 6.8187 118.5569 55.6733 32.4628 175.1153 41 G 4.0139 9.1456 111.6316 47.8268 0.0000 172.3813 42 G 4.0753 9.9926 107.8681 44.9818 0.0000 170.4897 43 N 4.9874 8.1026 118.9063 51.4668 40.3690 174.3130 44 E 3.8826 8.5998 116.6359 59.2037 30.0226 177.8560 45 N 4.7016 7.7924 118.8203 51.8252 37.1355 173.9517 46 N 5.1656 7.0072 116.5969 52.4379 42.3275 173.2204 47 F 4.9433 9.5062 124.4047 55.7793 42.7774 176.3719 48 R 4.3470 8.8270 122.5657 57.8956 30.6367 177.2089 49 R 4.7625 7.8227 116.2762 54.0048 33.3356 176.3375 50 T 3.8421 8.7946 119.2553 67.1870 68.4901 176.1678 51 Y 3.6311 8.0337 120.5464 60.4631 38.5520 177.6344 52 D 4.3584 8.0122 119.9298 57.3260 40.8479 177.7882 53 C 2.4500 7.5090 118.4875 58.8086 44.3189 175.5668 54 Q 3.6550 7.5821 119.9197 58.7693 28.1604 178.6708 55 R 3.8942 7.4800 114.4684 58.2279 29.5422 178.0554 56 T 4.1725 7.0614 115.9696 65.7485 69.2860 175.4134 57 C 4.2785 7.8169 115.7240 56.9899 41.4121 173.9642 58 L 4.0850 7.5553 124.7429 54.7542 41.3283 176.3614 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 R 8.25 4.25 0.00 1.86 1.96 0.00 3.00 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 4 P 0.00 4.24 0.00 2.29 2.01 0.00 3.55 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 2.11 2.15 0.00 5 S 8.66 4.21 0.00 3.87 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 6 L 8.04 4.02 0.00 1.91 1.95 1.08 0.70 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 7 C 8.17 4.53 0.00 3.05 3.13 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 8 D 7.86 4.66 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 9 L 7.28 4.26 0.00 1.80 1.58 0.92 1.06 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 10 P 0.00 4.37 0.00 2.08 2.00 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 11 A 7.85 3.36 -0.09 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 0.00 0.00 12 D 7.79 4.78 0.00 2.53 2.53 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 13 S 8.24 4.72 0.00 4.01 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 14 G 8.61 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.33 4.62 0.00 3.93 3.90 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 16 G 7.75 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 17 T 8.12 4.52 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 1.18 0.00 0.00 18 K 8.16 4.31 0.00 1.72 1.71 0.00 1.53 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.33 7.81 19 A 8.44 4.96 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 20 E 9.31 4.79 0.00 2.02 1.85 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 2.20 2.20 0.00 21 K 8.50 4.70 0.00 1.58 1.67 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.37 7.81 22 R 8.34 4.76 0.00 0.79 1.71 0.00 3.20 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.31 0.00 23 I 9.16 5.46 2.16 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 1.39 1.20 1.01 0.00 0.00 24 Y 9.12 5.45 0.00 3.13 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 25 Y 9.71 4.63 0.00 2.95 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 26 N 8.29 4.51 0.00 2.39 2.42 0.00 0.00 6.80 7.50 0.00 0.00 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 S 8.51 3.89 0.00 3.92 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 28 A 8.02 3.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 4.07 0.00 1.66 1.90 0.00 3.30 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 30 K 7.37 3.63 0.00 1.84 1.89 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.32 7.81 31 Q 6.84 4.52 0.00 1.74 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.89 0.00 0.00 0.00 0.00 0.00 2.51 2.26 0.00 32 C 8.69 4.98 0.00 2.75 2.96 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 0.00 0.00 0.00 0.00 33 L 7.77 4.73 0.00 1.31 1.64 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.77 5.62 0.00 1.80 1.95 0.00 3.34 0.00 0.00 3.97 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 35 F 8.30 4.98 0.00 3.02 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 36 D 8.75 5.09 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 37 Y 8.66 5.20 0.00 2.43 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 38 T 7.85 4.66 4.17 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 1.14 0.00 0.00 39 G 7.91 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 6.82 4.47 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.62 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 41 G 9.15 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 0.00 0.00 0.00 42 G 9.99 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.10 4.99 0.00 2.74 2.77 0.00 0.00 5.89 7.66 0.00 0.00 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 E 8.60 3.88 0.00 1.93 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 0.00 2.27 2.21 0.00 45 N 7.79 4.70 0.00 2.94 2.86 0.00 0.00 6.89 7.44 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 46 N 7.01 5.17 0.00 2.66 2.45 0.00 0.00 7.07 7.02 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 47 F 9.51 4.94 0.00 3.14 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 48 R 8.83 4.35 0.00 1.87 2.04 0.00 3.18 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 49 R 7.82 4.76 0.00 2.14 1.87 0.00 3.18 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 50 T 8.79 3.84 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 51 Y 8.03 3.63 0.00 3.10 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 52 D 8.01 4.36 0.00 2.99 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 53 C 7.51 2.45 0.00 2.02 2.88 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 54 Q 7.58 3.66 0.00 1.52 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 55 R 7.48 3.89 0.00 1.93 2.01 0.00 3.12 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.63 0.00 56 T 7.06 4.17 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 1.32 0.00 0.00 57 C 7.82 4.28 0.00 2.21 1.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 4.09 0.00 1.71 1.46 0.82 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00