NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3965 8.1576 122.0386 56.3196 33.9134 174.3855 2 E 4.6197 9.5291 122.2889 53.0368 32.4393 173.8220 3 G 3.6100 6.9551 109.5458 45.2618 0.0000 171.8504 4 Y 4.9107 7.5499 116.7564 56.5833 39.2973 176.0024 5 L 4.5064 8.5926 123.7222 55.1501 43.1502 175.8035 6 M 5.3336 8.5343 120.5345 53.7944 35.5554 175.8283 7 D 4.8208 8.9463 121.4650 52.4054 41.8731 176.6147 8 H 4.3638 8.8186 113.3471 58.2522 28.6279 175.7190 9 E 4.1501 8.1538 117.7743 56.1929 29.7925 176.8330 10 G 4.0008 8.1734 107.4587 45.6287 0.0000 172.9329 11 C 4.7431 8.3649 117.2194 54.9913 41.6495 173.6752 12 K 4.3159 7.7761 121.5172 56.2648 32.2996 176.6496 13 L 4.1928 8.2125 124.5278 54.7279 42.7667 176.1345 14 S 4.4837 8.6595 122.1489 57.9513 63.2642 172.2751 15 C 4.9967 8.3094 120.5471 54.8950 41.0655 174.0889 16 F 4.3330 7.4931 117.6822 60.2374 39.0913 175.7902 17 I 3.8213 8.4596 118.5114 61.9961 36.4850 173.8602 18 R 4.4727 7.0853 117.3059 54.7072 32.3546 175.3267 19 P 4.4729 0.0000 0.0000 62.1425 32.0763 176.1913 20 S 4.2864 8.4015 115.1941 60.0442 62.9240 174.8617 21 G 4.0509 9.0442 114.4443 45.8622 0.0000 174.5164 22 Y 4.0963 8.0252 120.6541 61.2267 38.6697 177.6031 23 C 4.2459 8.4103 116.9321 59.7473 40.3498 176.0426 24 G 3.5855 8.1440 107.0157 47.7046 0.0000 175.5633 25 R 3.8484 7.9917 120.8633 59.3846 29.7750 178.5412 26 E 3.8360 7.9494 118.3664 59.4787 29.2757 178.7198 27 C 4.4009 8.5185 117.1341 59.9901 40.7466 176.4463 28 G 3.4774 8.1012 107.2836 48.5924 0.0000 175.8111 29 I 3.8216 7.7395 121.3034 63.7015 37.0772 177.5365 30 K 4.4175 7.3647 115.8586 55.8313 31.9867 177.1993 31 K 3.9730 7.9026 117.1820 56.9329 29.7655 176.5958 32 G 4.2147 8.0679 107.0963 46.6930 0.0000 175.1258 33 S 4.6436 8.6984 114.8326 59.5062 64.7669 173.6733 34 S 4.6948 7.8613 113.6562 57.8169 65.6410 172.9587 35 G 4.7584 8.6509 109.8185 46.3692 0.0000 171.4070 36 Y 5.0093 8.6259 117.2368 56.0001 41.9936 173.8389 37 C 4.6818 8.9983 120.4114 55.8790 42.6744 173.4064 38 A 4.1824 7.9567 134.3040 49.2222 16.6443 175.6714 39 W 4.3508 8.1891 129.2684 57.1508 31.5189 173.4968 40 P 3.5982 0.0000 0.0000 62.0625 32.0054 174.5576 41 A 5.0190 7.7298 121.5088 50.3595 22.9807 175.2588 42 C 4.8954 8.9799 117.5761 56.9939 42.8055 172.3347 43 Y 4.5676 8.5819 123.9583 55.7829 41.5156 173.5400 44 C 5.4631 8.1658 123.1173 55.3316 40.0472 172.5138 45 Y 4.8326 8.8566 118.9724 56.7964 41.3957 176.2617 46 G 3.8491 8.6585 107.6038 46.8149 0.0000 173.4956 47 L 4.1809 7.7810 119.3833 53.1503 42.4489 175.6974 48 P 3.9932 0.0000 0.0000 62.2232 31.6128 177.3016 49 N 4.3635 7.9136 117.0392 55.3745 38.6050 176.5464 50 W 4.4462 7.3824 113.6473 57.4117 28.9161 176.5006 51 V 3.8963 7.1141 120.6825 62.0985 31.4725 175.3668 52 K 4.2232 8.6192 126.8499 56.6589 33.3413 176.4034 53 V 4.6532 7.9253 115.4004 58.5282 35.0910 175.0808 54 W 4.3287 9.0452 132.7279 58.0646 31.2894 174.8710 55 D 4.2294 7.1731 124.5120 52.2726 43.1410 175.1005 56 R 2.8980 7.9736 126.0076 58.8702 30.6014 178.0623 57 A 3.8839 7.8359 119.8914 54.9827 18.3117 178.0506 58 T 4.4053 7.3244 102.3390 61.0523 69.0504 174.5411 59 N 4.3617 7.4208 119.2964 53.4657 37.6470 174.9911 60 K 4.4781 8.4214 117.8915 56.2809 33.4684 176.8302 61 C 4.4785 8.5125 124.9237 56.8245 44.5110 172.9426 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 K 8.16 4.40 0.00 1.78 1.84 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.38 7.81 2 E 9.53 4.62 0.00 1.89 1.81 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 2.17 2.40 0.00 3 G 6.96 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 4 Y 7.55 4.91 0.00 3.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.59 4.51 0.00 1.58 1.58 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.53 5.33 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.79 0.00 7 D 8.95 4.82 0.00 2.92 2.87 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 0.00 0.00 0.00 8 H 8.82 4.36 0.00 3.32 3.50 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.15 4.15 0.00 2.05 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 2.07 1.93 0.00 10 G 8.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.36 4.74 0.00 3.28 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 12 K 7.78 4.32 0.00 1.26 1.38 0.00 0.75 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.64 0.21 7.81 13 L 8.21 4.19 0.00 1.82 1.57 0.99 0.63 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 14 S 8.66 4.48 0.00 3.84 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 15 C 8.31 5.00 0.00 2.98 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 16 F 7.49 4.33 0.00 3.10 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 17 I 8.46 3.82 1.91 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 1.49 0.46 1.00 0.00 0.00 18 R 7.09 4.47 0.00 1.79 1.58 0.00 2.21 0.00 0.00 2.81 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.00 0.00 19 P 0.00 4.47 0.00 2.25 2.01 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 20 S 8.40 4.29 0.00 3.88 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 21 G 9.04 4.05 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 0.00 0.00 0.00 22 Y 8.03 4.10 0.00 3.16 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 23 C 8.41 4.25 0.00 3.04 3.11 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 0.00 0.00 0.00 0.00 24 G 8.14 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 R 7.99 3.85 0.00 1.88 1.98 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 26 E 7.95 3.84 0.00 1.71 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 27 C 8.52 4.40 0.00 3.11 3.10 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 28 G 8.10 3.48 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 0.00 0.00 0.00 29 I 7.74 3.82 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.91 0.00 0.00 30 K 7.36 4.42 0.00 1.86 1.81 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.60 7.81 31 K 7.90 3.97 0.00 1.98 2.01 0.00 1.99 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.47 7.81 32 G 8.07 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 0.00 0.00 0.00 0.00 33 S 8.70 4.64 0.00 3.94 4.12 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 0.00 0.00 0.00 34 S 7.86 4.69 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.76 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 0.00 0.00 0.00 36 Y 8.63 5.01 0.00 3.10 3.10 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 37 C 9.00 4.68 0.00 3.07 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.18 0.96 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 0.00 0.00 39 W 8.19 4.35 0.00 3.22 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 40 P 0.00 3.60 0.00 0.64 0.59 0.00 3.41 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 41 A 7.73 5.02 0.99 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 0.00 0.00 42 C 8.98 4.90 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 43 Y 8.58 4.57 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.17 5.46 0.00 2.56 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 45 Y 8.86 4.83 0.00 2.83 2.83 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 46 G 8.66 3.85 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 0.00 0.00 0.00 47 L 7.78 4.18 0.00 1.59 1.41 0.75 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 3.99 0.00 0.49 0.49 0.00 3.23 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 49 N 7.91 4.36 0.00 2.68 2.87 0.00 0.00 6.97 7.68 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 50 W 7.38 4.45 0.00 3.34 3.35 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 51 V 7.11 3.90 2.02 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 0.77 0.00 0.00 0.82 0.00 0.00 52 K 8.62 4.22 0.00 1.93 1.84 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 53 V 7.93 4.65 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.93 0.00 0.00 54 W 9.05 4.33 0.00 3.30 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.17 4.23 0.00 2.44 2.16 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 56 R 7.97 2.90 0.00 1.78 1.74 0.00 3.34 0.00 0.00 3.43 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 57 A 7.84 3.88 1.26 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 0.00 0.00 58 T 7.32 4.41 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 1.14 0.00 0.00 59 N 7.42 4.36 0.00 3.12 2.62 0.00 0.00 6.68 6.49 0.00 0.00 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 K 8.42 4.48 0.00 1.75 1.85 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.50 7.81 61 C 8.51 4.48 0.00 3.27 3.20 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 0.00