NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4099 8.3344 115.2967 58.3551 63.8203 172.4464 3 D 4.7963 8.1425 122.2233 51.7760 43.0652 173.2098 4 K 3.6143 8.6251 119.8834 56.0863 33.3915 175.5665 5 P 4.5320 0.0000 0.0000 61.9111 32.1853 177.0919 6 K 4.1652 8.2837 118.6734 55.9522 30.0209 177.1532 7 R 3.2173 8.0819 122.1403 55.1624 30.7387 175.1230 8 P 4.2546 0.0000 0.0000 62.5720 32.1288 175.6959 9 L 4.4888 7.6809 119.2439 54.8138 43.2185 175.4709 10 S 4.3635 8.3357 113.2438 58.3653 64.0387 175.4209 11 A 4.1120 8.6419 124.4615 55.8049 18.3891 179.5300 12 Y 2.0000 7.4873 117.2080 59.9947 38.4118 178.4263 13 M 3.5422 7.2999 119.1915 57.9692 32.3010 178.1242 14 L 3.8192 7.4115 118.7572 57.8229 42.0523 179.5775 15 W 2.5400 6.8169 127.0910 59.5464 30.6989 177.2730 16 L 3.1953 7.0688 119.7576 58.1702 41.0760 178.8764 17 N 4.1974 7.4286 115.6104 55.8400 38.6310 177.0315 18 S 4.3157 7.2460 112.9068 59.5223 63.6229 174.3564 19 A 4.3483 6.7964 123.5248 51.0288 20.2646 177.7294 20 R 3.6733 7.4802 117.2526 59.2794 30.1126 178.4947 21 E 3.9354 7.8255 117.8462 59.3906 29.3767 178.7198 22 S 4.3840 7.8188 112.8329 59.8540 63.0660 176.0858 23 I 3.7687 7.5965 123.6242 63.8679 37.1632 178.2085 24 K 4.0748 7.6751 117.4753 59.5663 31.8644 179.0915 25 R 4.0053 7.7180 118.0087 59.1021 30.0527 178.4393 26 E 4.0676 7.9135 119.6312 58.2934 29.9600 177.5609 27 N 4.8132 7.2662 115.4523 51.4777 40.2060 174.1681 28 P 4.5031 0.0000 0.0000 63.4385 29.6479 175.7772 29 G 4.0619 8.1133 107.7679 46.9840 0.0000 170.6755 30 I 3.5702 7.7017 117.1265 60.0175 39.1712 175.8035 31 K 4.3111 8.4102 125.0653 55.9275 32.9874 178.8028 32 V 3.7274 8.2314 120.7874 64.9122 30.2587 178.5697 33 T 4.2460 7.8603 110.4555 64.2603 68.4920 175.6618 34 E 4.3558 7.9962 118.9941 57.0283 29.9972 178.2617 35 V 3.6885 7.6209 118.7666 65.5225 31.6927 177.6118 36 A 4.2518 7.5967 121.0802 54.6045 18.1965 179.3820 37 K 3.9013 7.3838 114.5847 59.6872 32.5804 178.5986 38 R 4.3005 7.9573 118.3149 58.9676 30.2191 178.5310 39 G 4.3919 8.5697 105.6212 47.6054 0.0000 175.6846 40 G 3.6465 8.3322 107.6776 46.9283 0.0000 175.9609 41 E 4.0160 8.2305 120.1884 59.6430 29.9024 179.2674 42 L 3.9929 7.9437 120.1968 56.6234 41.5498 178.8608 43 W 2.8069 6.9757 127.7925 59.9165 30.4543 176.6862 44 R 3.8754 7.4733 114.0919 56.3929 29.6567 176.0674 45 A 4.6457 7.3048 118.4587 52.8720 21.4281 176.6629 46 M 4.4786 7.6717 117.2055 55.2556 28.8950 177.1711 47 K 4.1949 8.1828 113.5525 56.3807 34.3925 177.9659 48 D 4.3928 7.2071 122.1601 53.1074 45.0629 175.0918 49 K 4.2449 8.2961 116.5328 57.7040 33.5502 178.0780 50 S 4.1606 8.2233 113.2134 61.9202 61.9651 175.4887 51 E 3.8036 8.0765 120.8881 59.1517 29.0568 179.0143 52 W 4.2833 7.8695 117.9096 60.5022 29.3782 178.3726 53 E 3.9875 8.6724 116.6926 59.8360 29.3991 179.2356 54 A 4.1702 8.1758 120.2080 55.2817 18.5316 179.3693 55 K 3.8370 7.9843 117.3184 59.6529 31.9140 178.6885 56 A 4.0241 8.2191 120.2232 54.9997 18.6175 178.9043 57 A 4.1168 7.9026 118.9243 55.4094 18.4626 179.3092 58 K 3.7450 8.2427 117.0746 60.1018 32.0943 178.1721 59 A 4.0547 7.8970 120.1415 55.2289 18.0814 179.1525 60 K 3.9221 8.1196 117.9097 59.9522 32.0852 178.2539 61 D 4.3736 8.0921 117.2593 57.6301 41.3510 177.6014 62 D 4.6022 8.2965 117.4376 55.8242 40.7842 177.3319 63 Y 4.4434 8.0280 120.8782 59.8241 37.9021 176.8181 64 D 3.9328 8.3923 119.3265 56.9957 41.1265 178.1479 65 R 4.1200 7.7637 119.1844 58.9648 30.1220 178.3004 66 A 4.0197 7.6321 119.1733 55.0929 18.6258 179.6328 67 V 3.5784 7.6372 111.0336 64.6443 31.5719 178.4077 68 K 3.7959 7.4263 117.4344 59.9149 31.7471 178.4201 69 E 3.9770 7.2947 114.1239 59.5581 29.4786 179.0449 70 F 4.2532 8.2940 119.4443 60.5355 39.6770 176.0781 71 E 4.0288 8.6747 116.8712 56.3894 29.6260 176.1523 72 A 4.8053 7.6391 120.9408 52.3526 19.9662 177.1003 73 N 4.7895 7.3213 116.0803 53.8429 37.7854 174.9117 74 G 4.0029 8.2078 113.2039 46.8192 0.0000 173.7558 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 2 S 8.33 4.41 0.00 3.89 3.92 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 3 D 8.14 4.80 0.00 2.79 2.66 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 4 K 8.63 3.61 0.00 1.81 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 0.84 7.81 5 P 0.00 4.53 0.00 2.34 2.08 0.00 3.06 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 1.91 1.89 0.00 6 K 8.28 4.17 0.00 1.78 1.82 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.48 7.81 7 R 8.08 3.22 0.00 1.61 1.57 0.00 3.12 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 8 P 0.00 4.25 0.00 1.99 1.80 0.00 2.59 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.24 0.00 9 L 7.68 4.49 0.00 1.62 1.57 0.81 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.34 4.36 0.00 3.83 3.77 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 11 A 8.64 4.11 1.69 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 0.00 0.00 12 Y 7.49 2.00 0.00 1.74 2.50 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 0.00 0.00 0.00 0.00 13 M 7.30 3.54 0.00 1.86 2.17 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 14 L 7.41 3.82 0.00 1.99 2.18 1.25 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 15 W 6.82 2.54 0.00 2.53 3.17 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 0.00 16 L 7.07 3.20 0.00 1.32 1.26 0.65 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.43 4.20 0.00 2.68 2.73 0.00 0.00 6.97 6.76 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 18 S 7.25 4.32 0.00 4.31 4.13 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 19 A 6.80 4.35 0.23 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 0.00 0.00 20 R 7.48 3.67 0.00 1.94 1.80 0.00 2.93 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 21 E 7.83 3.94 0.00 1.99 1.92 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 2.34 2.33 0.00 22 S 7.82 4.38 0.00 3.80 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 23 I 7.60 3.77 1.99 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 0.88 0.00 0.00 24 K 7.68 4.07 0.00 1.73 1.84 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 25 R 7.72 4.01 0.00 1.81 1.92 0.00 3.16 0.00 0.00 3.21 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 26 E 7.91 4.07 0.00 2.05 2.05 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 2.36 2.37 0.00 27 N 7.27 4.81 0.00 2.88 2.74 0.00 0.00 7.03 8.02 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 28 P 0.00 4.50 0.00 2.18 2.09 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 29 G 8.11 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.70 3.57 1.88 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 1.42 0.86 0.91 0.00 0.00 31 K 8.41 4.31 0.00 1.88 1.71 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.55 7.81 32 V 8.23 3.73 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 0.85 0.00 0.00 0.91 0.00 0.00 33 T 7.86 4.25 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 34 E 8.00 4.36 0.00 2.04 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 2.37 2.36 0.00 35 V 7.62 3.69 2.24 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 0.93 0.00 0.00 0.95 0.00 0.00 36 A 7.60 4.25 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.38 3.90 0.00 1.77 1.89 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 38 R 7.96 4.30 0.00 2.20 2.00 0.00 3.36 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.98 0.00 39 G 8.57 4.39 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 0.00 40 G 8.33 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 41 E 8.23 4.02 0.00 2.25 2.26 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 2.67 2.40 0.00 42 L 7.94 3.99 0.00 2.12 2.14 1.21 0.95 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 43 W 6.98 2.81 0.00 2.98 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 44 R 7.47 3.88 0.00 1.84 1.87 0.00 3.28 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 45 A 7.30 4.65 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 46 M 7.67 4.48 0.00 2.16 1.37 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 47 K 8.18 4.19 0.00 1.68 1.62 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.40 7.81 48 D 7.21 4.39 0.00 2.50 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 4.24 0.00 2.04 2.35 0.00 1.38 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.94 0.73 7.81 50 S 8.22 4.16 0.00 3.86 3.87 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 51 E 8.08 3.80 0.00 1.40 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 52 W 7.87 4.28 0.00 3.90 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.67 3.99 0.00 2.28 2.12 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 2.56 2.74 0.00 54 A 8.18 4.17 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 55 K 7.98 3.84 0.00 2.00 2.11 0.00 1.87 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.52 7.81 56 A 8.22 4.02 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 57 A 7.90 4.12 1.40 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 0.00 0.00 0.00 58 K 8.24 3.74 0.00 1.92 1.87 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 59 A 7.90 4.05 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 60 K 8.12 3.92 0.00 2.05 1.89 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.57 7.81 61 D 8.09 4.37 0.00 2.86 2.81 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 0.00 0.00 0.00 62 D 8.30 4.60 0.00 2.81 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 63 Y 8.03 4.44 0.00 3.07 3.15 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 0.00 64 D 8.39 3.93 0.00 2.81 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 65 R 7.76 4.12 0.00 1.89 1.90 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 66 A 7.63 4.02 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 3.58 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 -0.21 0.00 0.00 0.67 0.00 0.00 68 K 7.43 3.80 0.00 1.78 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 69 E 7.29 3.98 0.00 2.23 2.05 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 2.36 2.34 0.00 70 F 8.29 4.25 0.00 3.07 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 71 E 8.67 4.03 0.00 2.11 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 2.56 2.69 0.00 72 A 7.64 4.81 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 73 N 7.32 4.79 0.00 2.68 2.72 0.00 0.00 6.61 8.13 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 74 G 8.21 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