NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 D 4.5463 8.3644 120.5324 54.3918 43.7307 175.8602 25 H 4.5577 7.7598 121.4922 53.2645 28.4508 173.6412 26 H 4.2673 8.6471 120.7344 58.4718 29.8471 176.6067 27 Y 3.0178 7.0529 118.2099 59.6369 37.3454 177.7225 28 A 4.0064 7.4411 121.2053 54.8922 18.4943 178.6061 29 M 4.3524 8.0011 115.1031 56.3399 32.6252 177.6480 30 W 4.3888 8.4783 119.7242 57.4075 29.3500 177.6712 31 D 4.5979 8.3051 119.7272 56.7447 38.4204 178.6211 32 A 3.9712 8.0421 121.6840 54.4989 18.4433 179.0774 33 A 3.8660 7.9636 118.7441 55.5034 18.2982 178.6983 34 Y 4.0572 8.2116 118.2113 61.2749 38.6847 178.9000 35 V 3.5498 8.1211 117.4804 65.3252 31.7142 177.2552 36 L 4.3173 7.9840 117.7699 55.1782 41.7461 177.6424 37 G 3.8342 7.6442 106.6127 45.3627 0.0000 173.9670 38 A 4.3564 7.8968 121.4216 52.0139 19.4829 178.5661 39 L 4.1502 7.5269 116.3430 53.7846 42.6847 177.6218 40 S 4.3721 8.3393 117.2461 57.8155 65.2572 175.2473 41 A 4.0124 8.5578 123.5729 55.3589 18.1439 179.7336 42 A 4.0166 8.0061 118.5723 55.6462 18.4761 179.5145 43 D 4.6389 8.0856 116.9209 57.4954 40.8838 178.9233 44 R 4.2533 8.7030 119.7837 59.6407 30.0110 178.8784 45 R 4.0098 8.1067 117.3908 59.2466 30.1108 178.6919 46 E 3.9736 8.2670 118.2540 59.5275 29.5471 179.3704 47 F 3.9331 8.7549 120.7389 61.2344 39.5128 176.9335 48 E 3.6043 8.7530 118.3812 59.2503 29.0348 179.0786 49 A 3.8607 7.9177 119.8944 55.6368 18.6019 178.9758 50 H 3.9407 7.7756 116.4218 58.9822 29.8169 177.4748 51 L 3.5221 7.7572 121.1368 57.4226 41.1017 179.1147 52 A 4.0624 7.6498 120.0034 54.1035 18.2556 178.3797 53 G 3.8194 7.3018 103.2296 45.0610 0.0000 172.9384 54 C 4.5355 7.5402 119.4529 56.3608 33.9176 172.7505 55 P 4.2855 0.0000 0.0000 65.1258 30.9798 178.4704 56 E 3.9647 8.1148 117.2983 59.8923 29.4849 179.1177 57 C 4.2607 8.0623 115.9202 62.6293 28.3102 176.0813 58 R 3.9141 7.8147 120.3807 59.2106 29.6228 178.8100 59 G 3.6070 8.5672 105.8977 47.4127 0.0000 175.4818 60 A 4.0287 8.3913 123.5024 55.2785 18.3654 179.7481 61 V 3.7163 8.0799 116.5405 66.6888 31.2509 178.4523 62 T 3.9424 7.5958 114.2071 66.5831 68.3681 176.0819 63 E 4.1271 8.1797 119.5854 59.3267 29.7993 178.8410 64 L 4.4026 7.8950 117.2317 55.8353 41.8820 178.0715 65 C 4.4776 7.8379 113.8622 59.6477 29.3103 174.6636 66 G 4.0068 7.7672 107.4123 44.8850 0.0000 175.3707 67 V 3.7031 8.1250 121.9642 65.2934 31.7084 176.0016 68 P 4.2556 0.0000 0.0000 65.5931 30.9167 178.2240 69 A 4.0209 7.9405 118.0541 55.2162 18.5995 179.2953 70 L 4.0852 7.5722 116.7857 57.9478 41.7732 179.4536 71 L 4.0246 8.4997 119.5260 57.9290 41.4067 179.3460 72 S 4.3776 8.2969 111.9618 60.0109 63.1626 175.6162 73 Q 4.1744 7.9044 121.2381 56.5550 28.8803 175.5735 74 L 4.9628 7.1586 119.5444 52.5827 45.1064 176.4833 75 D 4.6747 8.8014 121.2649 53.5441 43.0578 177.8741 76 R 3.8890 8.6270 121.7947 59.7360 29.8033 178.0775 77 D 4.3907 7.9499 116.8560 56.7133 41.4603 177.8989 78 E 3.9957 8.0750 118.7069 59.3633 29.5931 179.3433 79 V 3.7058 7.8155 117.8058 65.6634 31.3419 177.9417 80 A 3.9774 7.5432 119.8901 55.0570 18.3734 178.8766 81 A 4.0780 8.0432 119.2574 55.5130 18.1263 180.0713 82 I 3.6749 7.0629 115.7326 64.6333 37.4228 178.5634 83 S 4.3101 7.7910 112.9191 59.9495 62.6334 174.0794 84 E 4.2301 7.6882 127.7665 56.1552 29.6263 175.0797 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 24 D 8.36 4.55 0.00 2.69 2.80 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 0.00 0.00 0.00 25 H 7.76 4.56 0.00 3.24 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.65 4.27 0.00 3.37 3.42 0.00 5.53 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.05 3.02 0.00 2.60 2.72 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 28 A 7.44 4.01 1.31 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 0.00 0.00 0.00 29 M 8.00 4.35 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.78 0.00 30 W 8.48 4.39 0.00 2.38 2.58 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 31 D 8.31 4.60 0.00 3.04 3.18 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 32 A 8.04 3.97 1.36 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 0.00 0.00 0.00 33 A 7.96 3.87 1.24 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 34 Y 8.21 4.06 0.00 3.02 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 3.55 2.31 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 0.92 0.00 0.00 1.18 0.00 0.00 36 L 7.98 4.32 0.00 1.68 1.67 0.91 1.07 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 37 G 7.64 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 4.36 1.21 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 0.00 0.00 0.00 39 L 7.53 4.15 0.00 1.68 1.67 0.59 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.34 4.37 0.00 4.05 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 41 A 8.56 4.01 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 42 A 8.01 4.02 1.39 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 0.00 0.00 0.00 43 D 8.09 4.64 0.00 2.93 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 44 R 8.70 4.25 0.00 2.07 2.21 0.00 3.18 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.15 0.00 45 R 8.11 4.01 0.00 2.15 2.01 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 46 E 8.27 3.97 0.00 2.55 2.18 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 2.46 2.49 0.00 47 F 8.75 3.93 0.00 3.44 3.26 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 0.00 48 E 8.75 3.60 0.00 2.07 1.94 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 2.32 2.57 0.00 49 A 7.92 3.86 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.78 3.94 0.00 2.36 2.53 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.76 3.52 0.00 1.42 1.36 0.14 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.65 4.06 1.24 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 53 G 7.30 3.82 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 0.00 0.00 0.00 54 C 7.54 4.54 0.00 2.58 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 55 P 0.00 4.29 0.00 2.17 2.04 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 56 E 8.11 3.96 0.00 2.12 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 0.00 2.43 2.49 0.00 57 C 8.06 4.26 0.00 2.88 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 58 R 7.81 3.91 0.00 2.02 1.95 0.00 3.04 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 59 G 8.57 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.03 1.53 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 61 V 8.08 3.72 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.20 0.00 0.00 62 T 7.60 3.94 4.40 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 1.23 0.00 0.00 63 E 8.18 4.13 0.00 2.17 2.06 0.00 0.00 0.00 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 2.39 0.00 64 L 7.89 4.40 0.00 1.75 1.75 1.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 65 C 7.84 4.48 0.00 3.12 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.77 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 67 V 8.13 3.70 2.20 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 1.03 0.00 0.00 0.95 0.00 0.00 68 P 0.00 4.26 0.00 2.19 2.08 0.00 3.67 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 2.16 0.00 69 A 7.94 4.02 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 70 L 7.57 4.09 0.00 1.87 1.73 0.93 0.52 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 71 L 8.50 4.02 0.00 1.86 1.73 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.30 4.38 0.00 3.97 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 73 Q 7.90 4.17 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 74 L 7.16 4.96 0.00 1.60 1.53 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.80 4.67 0.00 2.69 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 76 R 8.63 3.89 0.00 1.86 1.95 0.00 3.16 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 77 D 7.95 4.39 0.00 2.82 2.62 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 78 E 8.07 4.00 0.00 2.05 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 2.40 2.36 0.00 79 V 7.82 3.71 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 1.00 0.00 0.00 0.97 0.00 0.00 80 A 7.54 3.98 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 81 A 8.04 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.06 3.67 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.91 0.00 0.00 83 S 7.79 4.31 0.00 3.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.69 4.23 0.00 1.82 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 2.19 2.20 0.00