NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.9546 8.2348 114.8150 58.3167 64.3332 172.7866 3 L 4.5584 8.7589 121.9295 52.0177 43.5924 175.0594 4 T 4.8114 8.0625 109.9928 59.2513 74.1392 174.0873 5 D 4.4001 8.6978 120.2294 57.4995 41.2785 178.2768 6 A 4.0328 8.0018 120.8145 55.0988 18.2549 179.5133 7 K 3.9200 7.9422 115.8591 59.6168 32.5364 179.3082 8 I 3.7724 7.9209 119.9899 64.6067 36.8622 178.8570 9 R 4.1055 8.1533 117.2876 59.1829 29.8954 178.8682 10 T 4.0973 7.7468 114.9814 64.9878 68.8907 175.3799 11 L 4.2179 7.0981 120.1995 54.7908 42.2887 176.6234 12 K 4.7434 8.2998 119.7883 54.0077 35.5415 174.3587 13 P 4.4363 0.0000 0.0000 63.3236 32.1450 176.2096 14 S 5.0970 8.5728 116.7400 57.3991 65.0706 174.1028 15 D 4.8032 8.7279 120.4651 53.7794 39.8304 175.8521 16 K 4.6557 7.8611 119.9131 54.0873 35.4741 173.8615 17 P 4.7609 0.0000 0.0000 63.0544 32.1363 175.3920 18 F 5.0461 8.5235 116.5927 55.5963 41.8228 173.0529 19 K 5.1854 8.7686 118.3011 54.7291 35.0185 175.9893 20 V 4.5472 8.7333 116.7985 59.6556 34.6710 174.7599 21 S 4.6405 8.8043 120.1692 58.0237 63.3428 172.1057 22 D 4.5371 9.5260 126.6937 54.0280 41.8209 176.3342 23 S 4.7594 8.0407 109.2313 58.6633 65.7136 175.1730 24 H 3.9759 9.8708 115.0721 57.0170 25.9548 176.3013 25 G 4.0911 8.4235 107.5083 44.9770 0.0000 172.9588 26 L 5.0151 7.8571 123.1523 54.6095 43.4008 175.1317 27 Y 5.5582 9.0643 123.2608 55.7853 42.3739 173.1249 28 L 4.7584 9.1802 122.8297 53.2680 44.4297 174.6203 29 L 4.8923 9.1325 129.3396 53.7974 43.9677 174.9876 30 V 4.5237 8.3717 127.1001 61.0796 33.4808 174.6055 31 K 4.7511 8.5142 127.3400 53.9674 34.3613 175.9361 32 P 4.4291 0.0000 0.0000 65.1593 31.3363 178.0800 33 G 3.6894 7.9190 104.3231 46.0117 0.0000 173.8927 34 G 4.0295 8.1815 107.9329 44.9994 0.0000 174.4755 35 S 4.2005 8.1740 115.3404 58.8098 63.7251 173.1042 36 R 4.9167 8.5987 124.6078 54.7302 33.3998 173.6693 37 H 4.9652 8.9469 123.7892 53.9228 33.7821 172.2841 38 W 5.0901 8.6768 125.3203 56.5941 30.5039 175.0508 39 Y 5.0851 9.0001 120.6450 56.0693 42.3412 173.8545 40 L 5.2628 9.0502 124.3504 53.2282 44.6811 175.4886 41 K 5.2629 9.1860 126.6093 56.3424 34.4666 175.5694 42 Y 5.0446 8.5858 119.0742 55.7997 41.9008 173.7120 43 R 4.9124 8.7096 120.3463 54.5762 33.0201 174.7153 44 I 4.4982 8.7334 125.7420 61.0465 40.9342 175.8190 45 S 3.8699 9.8960 120.8689 59.3826 61.5429 172.8201 46 G 3.9539 8.1296 106.0046 46.0222 0.0000 172.4319 47 K 4.5354 8.0123 119.6868 54.2402 34.4139 174.3595 48 E 4.9335 8.5675 123.8180 54.6533 31.8329 174.7336 49 S 4.8537 8.1038 121.7318 56.7638 67.6678 172.5650 50 R 5.4640 8.4166 115.4664 55.0131 32.5370 174.4914 51 I 4.9180 9.0791 113.4503 58.9260 40.9192 174.5065 52 A 4.1700 8.8556 126.7508 52.1415 18.6308 177.1614 53 L 4.4447 9.1281 120.9916 53.7373 43.4160 175.8653 54 G 4.0467 7.9455 104.4068 42.8717 0.0000 172.9681 55 A 4.3785 8.2614 122.9391 51.6242 19.2791 176.2326 56 Y 4.9134 8.5583 123.0684 55.3787 39.7560 173.6928 57 P 3.4653 0.0000 0.0000 62.0693 32.0739 176.1834 58 A 3.9500 7.9591 122.7874 55.0035 18.4153 177.8584 59 I 4.2811 8.3288 118.7222 59.7371 37.9021 176.0801 60 S 4.6884 8.6250 121.3408 57.4083 65.2124 174.8388 61 L 3.6869 8.8107 123.0242 58.5052 41.7756 179.0377 62 S 4.0588 8.0312 114.3947 61.6432 62.7410 176.2294 63 D 4.2221 8.2072 121.3328 57.3458 40.4990 178.7080 64 A 3.5605 7.6899 121.2957 55.0301 18.0077 179.8814 65 R 3.7099 7.7260 116.5027 59.4615 30.0630 179.3780 66 Q 3.9220 7.9202 117.7743 58.8659 28.6069 178.6327 67 Q 3.9042 8.1656 119.3602 58.8843 28.6809 178.8396 68 R 3.8193 8.1081 119.8827 59.6057 29.9885 178.3892 69 E 4.0412 8.4881 118.7219 59.1779 29.5020 179.6522 70 G 3.5586 8.2103 105.7835 47.9714 0.0000 175.7784 71 I 3.6900 7.8737 123.0856 64.0679 37.0776 178.7661 72 R 4.0583 8.3789 119.2155 59.2021 29.6057 179.3029 73 K 4.0192 7.6133 117.7789 59.3995 32.3432 178.8264 74 M 4.1518 7.8453 118.2144 58.5619 31.9896 178.2972 75 L 3.9748 8.2430 118.2769 57.5881 41.9538 178.8331 76 A 4.2373 8.0225 120.8217 53.8589 18.8861 176.8017 77 L 4.5961 7.4604 117.8134 53.1000 40.4530 176.2771 78 N 5.4739 8.0325 119.4337 52.4818 39.2174 173.9698 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 8.23 4.95 0.00 4.03 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 3 L 8.76 4.56 0.00 1.78 1.73 1.19 0.61 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 4 T 8.06 4.81 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 1.24 0.00 0.00 5 D 8.70 4.40 0.00 2.93 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 6 A 8.00 4.03 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 7 K 7.94 3.92 0.00 1.95 1.91 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.51 7.81 8 I 7.92 3.77 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.28 0.15 0.00 0.00 9 R 8.15 4.11 0.00 1.82 2.06 0.00 3.25 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.00 0.00 10 T 7.75 4.10 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 1.22 0.00 0.00 11 L 7.10 4.22 0.00 1.87 1.81 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.30 4.74 0.00 2.10 1.77 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 0.99 7.81 13 P 0.00 4.44 0.00 2.09 2.36 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 14 S 8.57 5.10 0.00 4.00 4.07 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 15 D 8.73 4.80 0.00 2.82 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 16 K 7.86 4.66 0.00 1.75 1.71 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 17 P 0.00 4.76 0.00 1.95 1.92 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 18 F 8.52 5.05 0.00 3.00 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 19 K 8.77 5.19 0.00 1.46 1.49 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.36 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 1.28 7.81 20 V 8.73 4.55 2.17 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 0.94 0.00 0.00 1.03 0.00 0.00 21 S 8.80 4.64 0.00 3.95 3.81 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 22 D 9.53 4.54 0.00 2.90 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.04 4.76 0.00 3.91 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 24 H 9.87 3.98 0.00 3.34 3.42 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.42 4.09 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 0.00 0.00 0.00 26 L 7.86 5.02 0.00 1.85 1.76 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 9.06 5.56 0.00 3.20 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 28 L 9.18 4.76 0.00 0.98 1.29 -0.56 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.13 4.89 0.00 2.08 1.92 0.91 0.66 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 30 V 8.37 4.52 0.67 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 0.64 0.00 0.00 0.60 0.00 0.00 31 K 8.51 4.75 0.00 1.69 1.65 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.34 7.81 32 P 0.00 4.43 0.00 2.04 2.26 0.00 3.71 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 33 G 7.92 3.69 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 0.00 34 G 8.18 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.17 4.20 0.00 3.92 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 36 R 8.60 4.92 0.00 1.76 1.57 0.00 3.03 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 37 H 8.95 4.97 0.00 3.19 3.09 0.00 5.77 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 8.68 5.09 0.00 3.25 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 39 Y 9.00 5.09 0.00 1.67 2.48 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 40 L 9.05 5.26 0.00 1.73 1.55 1.06 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.19 5.26 0.00 1.87 2.02 0.00 1.86 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.89 1.53 7.81 42 Y 8.59 5.04 0.00 3.03 3.04 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 43 R 8.71 4.91 0.00 1.74 1.84 0.00 3.18 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 44 I 8.73 4.50 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.12 0.97 0.00 0.00 45 S 9.90 3.87 0.00 4.06 3.99 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 46 G 8.13 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 4.54 0.00 1.91 1.65 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.32 7.81 48 E 8.57 4.93 0.00 1.88 1.73 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 2.07 2.34 0.00 49 S 8.10 4.85 0.00 3.03 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 50 R 8.42 5.46 0.00 1.92 1.93 0.00 2.69 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 51 I 9.08 4.92 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.36 1.04 0.00 0.00 52 A 8.86 4.17 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.13 4.44 0.00 1.46 1.73 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.95 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 55 A 8.26 4.38 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 56 Y 8.56 4.91 0.00 2.53 2.67 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 57 P 0.00 3.47 0.00 1.77 1.05 0.00 3.69 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 58 A 7.96 3.95 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 59 I 8.33 4.28 2.24 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.68 0.80 0.00 0.00 60 S 8.63 4.69 0.00 4.17 4.03 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 0.00 0.00 0.00 61 L 8.81 3.69 0.00 2.08 1.86 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.03 4.06 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 63 D 8.21 4.22 0.00 2.74 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 64 A 7.69 3.56 -0.03 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 0.00 0.00 0.00 0.00 0.00 65 R 7.73 3.71 0.00 1.93 1.91 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 66 Q 7.92 3.92 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 67 Q 8.17 3.90 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 68 R 8.11 3.82 0.00 1.78 2.05 0.00 3.28 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 1.61 1.68 0.00 69 E 8.49 4.04 0.00 2.09 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 2.51 2.43 0.00 70 G 8.21 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 3.69 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.81 0.00 0.00 72 R 8.38 4.06 0.00 1.93 1.96 0.00 3.12 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 73 K 7.61 4.02 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.58 7.81 74 M 7.85 4.15 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 75 L 8.24 3.97 0.00 1.73 1.73 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.02 4.24 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 77 L 7.46 4.60 0.00 1.67 1.64 0.91 0.91 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 78 N 8.03 5.47 0.00 2.63 2.63 0.00 0.00 7.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00