NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6604 8.3249 119.4172 57.4132 40.3715 173.6289 2 E 4.5357 8.5469 120.8888 53.5513 32.5342 174.4641 3 N 4.6422 9.4398 121.0794 53.4020 39.3847 174.4629 4 R 4.6745 8.2737 125.7037 56.0060 31.1820 178.8844 5 V 3.6168 8.3138 120.8886 66.0060 31.3504 177.4523 6 A 4.4009 7.9060 121.5520 54.5715 18.2561 179.2022 7 E 3.9332 8.1915 116.6910 59.6569 29.5119 179.6244 8 K 4.1728 7.8627 118.4433 59.3489 31.6875 179.5374 9 Q 4.0789 8.5856 118.9406 58.8040 28.4506 178.5005 10 K 3.9122 7.9455 119.3679 59.4600 32.5403 177.9499 11 L 3.9159 7.8499 120.3231 58.4253 41.7990 178.7318 12 F 4.4258 8.2802 114.7953 58.7596 39.1468 176.6234 13 Q 4.5086 7.7011 116.5981 54.1767 29.4164 175.1958 14 E 3.8345 7.2541 121.2647 57.0103 30.3741 177.4451 15 D 4.6473 8.4778 127.4142 53.2424 39.6622 175.2451 16 N 4.7491 7.8480 114.0326 51.7209 38.2893 176.6012 17 G 3.9025 8.1642 105.3749 46.0993 0.0000 174.1705 18 L 4.1791 8.0197 120.1602 53.3745 42.3953 175.4059 19 P 4.5201 0.0000 0.0000 62.1780 32.2313 177.6917 20 V 3.6768 8.4367 119.3550 65.0619 31.2580 177.4891 21 H 4.5782 8.1944 113.5276 56.6968 28.9164 175.3623 22 L 4.7514 8.1166 119.4136 54.3115 42.8326 177.6604 23 K 4.1523 7.9656 119.8747 57.8518 32.3190 177.7790 24 G 3.5929 8.5870 106.7593 46.1336 0.0000 171.8968 25 G 3.6711 7.6614 104.7043 44.0827 0.0000 174.1345 26 A 3.9869 8.8178 119.4171 55.5811 18.2911 180.0889 27 T 3.9076 7.9750 113.7192 66.7729 68.3484 176.3887 28 D 4.4359 8.2538 121.1780 57.3975 40.8892 178.4600 29 N 4.4621 8.0394 116.5486 56.3738 38.5881 177.4417 30 I 3.7657 7.8186 121.2469 64.2405 37.1226 178.2224 31 L 3.9680 8.0632 121.2213 58.2632 41.8650 178.3198 32 Y 4.1125 8.4041 119.7436 60.9188 38.7641 178.4419 33 R 3.5987 8.1885 118.9271 58.8722 30.1637 179.0486 34 V 3.5251 8.0877 118.5029 66.3454 31.4446 178.1723 35 T 3.7868 7.9914 115.4673 67.0090 68.3734 176.4460 36 M 3.9053 7.9879 120.3181 58.5850 32.0510 178.3488 37 T 3.7874 7.8339 116.0669 66.5679 68.5856 176.5629 38 L 3.9619 7.8823 120.7269 57.9415 41.6453 179.3843 39 C 4.1300 8.3149 116.9522 62.8973 28.0659 176.2952 40 L 4.1332 8.4701 121.0411 57.6248 41.1886 179.7424 41 G 3.7001 8.5642 106.3292 47.7601 0.0000 175.9494 42 G 3.7412 8.5240 108.6351 47.9371 0.0000 175.9748 43 T 3.9862 8.0649 118.0168 66.3609 68.4113 176.9801 44 L 4.0600 8.2124 121.1105 57.9793 41.6563 178.9014 45 Y 4.3680 8.4886 120.1052 60.7767 38.6785 178.2683 46 S 4.0003 8.5717 115.6091 61.0950 63.0784 176.5846 47 L 3.9826 8.0073 122.9728 57.6503 41.3831 178.4452 48 Y 4.1132 8.2769 119.6657 61.2030 38.6907 178.2429 49 C 4.0433 8.1434 117.4268 62.5183 28.1135 175.9395 50 L 4.0418 8.1951 122.3834 57.9091 41.4598 179.1012 51 G 3.6811 7.9046 104.7218 47.5635 0.0000 175.1483 52 W 4.0608 8.0607 130.7117 60.0862 30.6634 177.7767 53 A 4.1734 8.3554 118.4223 54.0334 17.9532 179.0163 54 S 3.9200 7.8403 112.8062 58.9391 63.2730 174.1279 55 F 4.6897 6.5503 118.7174 54.1282 41.7686 173.3116 56 P 4.1910 0.0000 0.0000 63.5009 31.5449 175.8322 57 H 4.5583 8.4971 117.0267 54.5562 29.3120 174.8057 58 K 4.1643 7.9530 124.8227 57.0303 32.0237 175.1333 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 F 8.32 4.66 0.00 3.07 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 2 E 8.55 4.54 0.00 2.04 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 2.22 2.38 0.00 3 N 9.44 4.64 0.00 2.71 2.78 0.00 0.00 6.88 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 4 R 8.27 4.67 0.00 1.89 1.91 0.00 3.53 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 5 V 8.31 3.62 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 0.98 0.00 0.00 0.94 0.00 0.00 6 A 7.91 4.40 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 7 E 8.19 3.93 0.00 2.22 2.03 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 2.41 2.42 0.00 8 K 7.86 4.17 0.00 2.01 2.11 0.00 1.95 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.69 1.72 7.81 9 Q 8.59 4.08 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 10 K 7.95 3.91 0.00 1.75 1.98 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 L 7.85 3.92 0.00 1.74 1.58 0.69 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.28 4.43 0.00 3.19 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 13 Q 7.70 4.51 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 14 E 7.25 3.83 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 15 D 8.48 4.65 0.00 2.67 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 16 N 7.85 4.75 0.00 2.79 2.95 0.00 0.00 6.34 7.00 0.00 0.00 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 G 8.16 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 0.00 0.00 0.00 18 L 8.02 4.18 0.00 1.74 1.57 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.52 0.00 2.24 2.17 0.00 3.62 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 1.80 1.84 0.00 20 V 8.44 3.68 2.11 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 0.82 0.00 0.00 0.92 0.00 0.00 21 H 8.19 4.58 0.00 3.30 3.43 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.12 4.75 0.00 1.52 1.57 0.70 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.97 4.15 0.00 1.98 2.10 0.00 2.04 0.00 0.00 2.01 0.00 0.00 2.93 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.39 1.36 7.81 24 G 8.59 3.59 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 0.00 25 G 7.66 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 26 A 8.82 3.99 1.33 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 0.00 0.00 27 T 7.98 3.91 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 D 8.25 4.44 0.00 3.01 2.92 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 29 N 8.04 4.46 0.00 2.91 2.94 0.00 0.00 7.13 7.48 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 30 I 7.82 3.77 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.81 0.93 0.00 0.00 31 L 8.06 3.97 0.00 1.94 1.73 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.40 4.11 0.00 3.19 3.25 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 33 R 8.19 3.60 0.00 2.03 1.93 0.00 3.29 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 34 V 8.09 3.53 2.19 0.00 0.00 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 0.93 0.00 0.00 35 T 7.99 3.79 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 1.19 0.00 0.00 36 M 7.99 3.91 0.00 1.58 1.44 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 2.49 2.51 0.00 37 T 7.83 3.79 4.18 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 1.17 0.00 0.00 38 L 7.88 3.96 0.00 1.82 1.69 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.31 4.13 0.00 3.09 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 40 L 8.47 4.13 0.00 1.63 1.71 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.56 3.70 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 0.00 0.00 0.00 42 G 8.52 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 43 T 8.06 3.99 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 1.24 0.00 0.00 44 L 8.21 4.06 0.00 1.92 1.79 0.95 0.63 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 45 Y 8.49 4.37 0.00 3.04 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.00 0.00 4.04 4.25 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 47 L 8.01 3.98 0.00 1.96 1.81 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.28 4.11 0.00 3.21 3.25 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 49 C 8.14 4.04 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.20 4.04 0.00 1.86 1.81 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.90 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.06 4.06 0.00 3.09 3.30 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 53 A 8.36 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.84 3.92 0.00 3.61 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 6.55 4.69 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.09 1.98 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 57 H 8.50 4.56 0.00 3.01 3.34 0.00 6.05 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.95 4.16 0.00 1.88 1.78 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.34 7.81