NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2728 8.2649 123.5821 52.2580 18.7371 175.4190 2 V 4.3196 7.8516 115.2983 58.2642 34.3665 174.0824 3 Q 4.3512 8.4421 118.1323 56.2262 30.4669 175.6688 4 Q 4.4112 8.4946 118.4623 56.2592 30.8865 175.4237 5 N 4.8832 7.8037 113.9746 50.5278 41.8061 173.4010 6 K 4.0774 8.7257 123.4451 55.2763 32.2948 174.5201 7 P 4.2521 0.0000 0.0000 62.9488 31.7246 177.1312 8 T 4.0692 8.2887 116.8785 61.8193 69.7273 174.7768 9 R 4.0419 8.5391 124.4893 59.5798 30.0374 178.7015 10 S 4.0394 8.1820 112.1348 61.8082 62.0440 176.1128 11 K 3.8659 7.6151 120.1680 59.2526 32.0464 178.5134 12 R 4.1182 8.0649 119.5641 59.3802 30.2717 178.4778 13 G 3.6687 8.0504 104.9841 48.0845 0.0000 174.9685 14 M 4.0795 8.0685 120.2583 58.2608 31.8971 178.1686 15 R 4.2215 8.2794 118.7355 58.4558 30.3597 177.7595 16 R 4.1509 7.7677 115.9558 56.6025 29.9949 178.3080 17 S 4.1187 7.2811 115.0003 62.0863 62.9469 175.5748 18 H 4.4138 8.0431 117.8324 57.8494 28.9858 176.1797 19 D 4.7210 7.5033 120.3125 54.0961 40.6637 176.5910 20 A 4.5592 7.6267 128.5882 52.1311 18.9534 176.8070 21 L 4.5814 7.9910 115.1411 54.9617 45.9224 174.3499 22 T 4.5903 8.0233 113.1889 60.1515 70.4439 174.3760 23 A 4.3927 8.2207 129.6754 51.8618 20.2283 177.4138 24 V 3.8133 8.3859 107.6787 62.1868 31.9796 176.2442 25 T 3.3462 8.6091 108.6181 62.4651 67.3488 169.0340 26 S 4.0771 8.3703 122.6072 59.0391 62.9835 170.1285 27 L 4.8736 8.0630 123.1917 53.5843 43.5938 175.7312 28 S 4.6153 8.4129 114.9603 58.1621 64.0094 172.8844 29 V 5.1350 7.9836 120.9673 59.8501 33.8597 174.8985 30 D 4.3816 8.8038 123.8471 54.0534 41.6004 176.1847 31 K 4.0859 8.7419 123.2261 59.6036 32.9716 178.6846 32 T 3.9108 8.0349 114.6819 66.3409 68.9536 173.9551 33 S 4.6674 8.0454 115.6580 56.1022 64.2587 174.7797 34 G 4.0376 8.2324 113.5422 45.5800 0.0000 173.6460 35 E 3.9063 8.4586 120.6539 56.3975 30.5842 176.7501 36 K 4.9227 8.7568 126.6595 55.1445 32.1799 174.1515 37 H 5.1139 9.0491 122.3494 52.8741 32.6798 171.9537 38 L 4.5237 8.3036 120.3521 54.0418 42.5219 176.6350 39 R 3.8326 8.7396 125.1590 57.5149 30.8583 175.9305 40 H 4.6837 9.2953 113.5309 55.7985 27.0715 174.7156 41 H 4.1143 8.6110 114.4940 56.1284 30.8722 174.8615 42 I 3.1814 7.2077 122.8700 60.5514 35.5171 174.8167 43 T 4.2777 8.9688 117.7070 60.4425 69.6980 175.1683 44 A 4.0468 8.3607 124.5244 55.6027 18.4930 178.1759 45 D 4.6865 8.1290 112.0367 52.0014 40.8701 174.2867 46 G 4.3416 8.3683 112.6764 47.3803 0.0000 171.4386 47 Y 4.5994 7.5580 116.5737 57.9407 40.5348 176.3255 48 Y 5.1144 8.2487 126.6489 58.1880 43.8092 177.6014 49 R 4.3019 8.1496 113.4983 54.8031 29.5940 176.1682 50 G 4.1595 7.9691 115.0780 44.5860 0.0000 173.7114 51 R 3.5137 8.6867 122.7730 58.0879 29.4139 176.4832 52 K 3.9166 8.3287 117.2452 55.4764 32.5812 176.2228 53 V 3.2806 7.8676 111.9262 62.5815 31.6301 172.3809 54 I 3.2533 8.5426 132.2966 60.4178 34.9250 174.0960 55 A 4.2914 8.2586 131.9270 52.1776 18.6071 177.2465 56 K 4.1882 8.6933 113.9358 57.9197 34.2054 174.5613 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 A 8.26 4.27 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 2 V 7.85 4.32 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00 3 Q 8.44 4.35 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 4 Q 8.49 4.41 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 5 N 7.80 4.88 0.00 2.67 2.66 0.00 0.00 6.83 7.61 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 6 K 8.73 4.08 0.00 1.71 1.76 0.00 1.61 0.00 0.00 1.33 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 7 P 0.00 4.25 0.00 2.08 1.99 0.00 3.73 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 2.03 2.08 0.00 8 T 8.29 4.07 4.24 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 1.22 0.00 0.00 9 R 8.54 4.04 0.00 1.89 1.97 0.00 3.21 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 10 S 8.18 4.04 0.00 3.88 3.86 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 11 K 7.62 3.87 0.00 1.82 1.97 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.51 7.81 12 R 8.06 4.12 0.00 1.93 2.09 0.00 3.16 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 13 G 8.05 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 14 M 8.07 4.08 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 15 R 8.28 4.22 0.00 1.86 2.10 0.00 3.09 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 16 R 7.77 4.15 0.00 2.03 1.94 0.00 3.19 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 17 S 7.28 4.12 0.00 3.81 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 18 H 8.04 4.41 0.00 3.18 3.40 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.50 4.72 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.63 4.56 1.20 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 0.00 0.00 21 L 7.99 4.58 0.00 1.60 1.54 0.92 0.70 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 22 T 8.02 4.59 4.24 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 1.21 0.00 0.00 23 A 8.22 4.39 1.27 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 0.00 0.00 24 V 8.39 3.81 2.09 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 0.76 0.00 0.00 0.97 0.00 0.00 25 T 8.61 3.35 4.24 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 1.28 0.00 0.00 26 S 8.37 4.08 0.00 4.06 3.96 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 27 L 8.06 4.87 0.00 1.83 1.61 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.41 4.62 0.00 3.91 3.66 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 0.00 0.00 0.00 0.00 29 V 7.98 5.13 2.09 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 0.77 0.00 0.00 0.92 0.00 0.00 30 D 8.80 4.38 0.00 2.61 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 4.09 0.00 1.75 1.77 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.40 7.81 32 T 8.03 3.91 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 1.19 0.00 0.00 33 S 8.05 4.67 0.00 2.72 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 34 G 8.23 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 35 E 8.46 3.91 0.00 1.79 1.88 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 2.19 2.41 0.00 36 K 8.76 4.92 0.00 1.76 1.75 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.43 7.81 37 H 9.05 5.11 0.00 3.23 3.39 0.00 5.31 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.30 4.52 0.00 1.56 1.20 1.03 0.91 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 39 R 8.74 3.83 0.00 1.92 2.02 0.00 3.52 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 40 H 9.30 4.68 0.00 3.30 3.48 0.00 5.96 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 41 H 8.61 4.11 0.00 3.07 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.21 3.18 1.84 0.00 0.00 0.77 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 0.92 0.00 0.00 43 T 8.97 4.28 4.28 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 1.10 0.00 0.00 44 A 8.36 4.05 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 45 D 8.13 4.69 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 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 0.00 0.00 0.00 0.00 47 Y 7.56 4.60 0.00 3.05 3.08 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 48 Y 8.25 5.11 0.00 2.85 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 49 R 8.15 4.30 0.00 1.50 1.61 0.00 3.03 0.00 0.00 2.99 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 50 G 7.97 4.16 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 0.00 0.00 0.00 51 R 8.69 3.51 0.00 1.92 1.91 0.00 3.42 0.00 0.00 3.16 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 52 K 8.33 3.92 0.00 1.52 1.54 0.00 1.65 0.00 0.00 1.44 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.75 7.81 53 V 7.87 3.28 2.09 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 0.92 0.00 0.00 1.06 0.00 0.00 54 I 8.54 3.25 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.25 0.87 0.00 0.00 55 A 8.26 4.29 1.19 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 0.00 0.00 56 K 8.69 4.19 0.00 1.94 1.80 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.40 7.81