NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3190 8.2644 123.5840 51.7851 20.2337 177.6038 3 R 4.0687 7.8438 119.2493 57.5045 30.2984 176.2988 4 K 3.9237 8.2157 120.8927 58.7890 33.3363 177.5208 5 A 4.1604 7.9353 118.9562 53.7237 18.2563 178.3974 6 L 4.4271 7.8598 118.0901 56.6682 42.8011 178.8789 7 I 3.8315 7.2616 112.6069 63.8890 37.2264 178.0989 8 E 3.8967 8.0998 120.2341 59.2919 29.3852 178.8171 9 K 3.9660 7.5848 116.8345 59.0429 32.2122 178.2858 10 A 3.7346 7.7332 120.4875 54.8877 18.6183 179.4108 11 K 4.1453 7.7719 115.9074 58.1022 32.1928 177.9868 12 R 4.1513 7.3749 118.9509 56.0819 30.1376 176.6257 13 T 4.1875 8.4915 119.4246 63.0742 69.1205 173.0771 14 P 4.0931 0.0000 0.0000 62.8499 31.8775 173.6381 15 K 3.2852 9.0755 120.4041 57.5677 31.3416 174.3866 16 F 3.4672 7.8796 120.1123 58.0791 38.0861 175.7942 17 K 4.2795 8.4216 121.1751 58.8583 33.2414 179.3109 18 V 3.7125 7.9782 111.9159 63.7060 31.7617 176.7063 19 R 4.5552 8.0133 117.7598 56.0838 30.0209 176.4045 20 A 4.0857 8.0978 120.6159 52.7648 18.3370 177.7164 21 Y 4.1603 7.6381 116.8853 58.4404 38.1947 176.7398 22 T 3.9939 8.5914 113.6149 61.7403 69.4635 173.3399 23 R 4.5361 8.4683 115.5086 56.1754 31.5458 172.6048 24 C 3.8937 8.7206 126.2334 58.3511 32.1463 173.6878 25 V 3.7925 7.9275 125.0884 65.7331 33.1267 179.0420 26 R 4.0743 8.3388 120.5733 57.0450 29.1985 178.7279 27 C 4.0092 9.5126 118.3192 59.3400 30.4229 176.3513 28 G 3.8344 8.7996 109.7488 45.9402 0.0000 172.7798 29 R 3.7442 8.5897 120.7964 56.8840 30.1219 176.8583 30 A 4.3783 8.6541 127.5855 53.1422 19.8420 177.0424 31 R 4.4190 7.7595 113.6819 55.7400 32.5322 175.8116 32 S 3.4510 8.2954 112.9198 59.2612 60.3022 172.4549 33 V 4.5948 7.3656 119.2525 61.6521 32.4584 174.4285 34 Y 4.3601 9.4766 127.4144 56.7710 37.9493 176.6080 35 R 3.9545 8.9324 122.7620 59.0874 29.2841 177.3684 36 F 3.8121 8.1213 117.6524 61.5982 37.9674 175.2394 37 F 4.3082 9.4005 121.5396 58.5667 39.7768 176.4781 38 G 4.2706 8.9496 109.4570 46.3747 0.0000 172.8825 39 L 4.9941 7.6158 119.9599 53.5277 43.7772 174.8863 40 C 6.0869 8.6243 115.5680 55.7221 33.1292 174.8706 41 R 3.8812 8.9449 116.4631 60.4052 28.3341 177.8152 42 I 4.0083 7.8959 120.0980 62.4637 37.2293 177.4621 43 C 3.7894 7.8888 116.7905 63.1710 28.3839 176.2348 44 L 3.7143 8.0190 121.6412 58.2886 41.3832 179.0080 45 R 3.7975 7.3058 116.9474 59.6112 30.2183 177.9104 46 E 4.0960 8.4822 119.0589 58.8537 29.4124 178.7411 47 L 3.8983 8.2288 118.5111 58.3205 41.8246 179.4805 48 A 3.9174 7.8992 120.0910 56.0463 17.9408 179.4765 49 H 4.1510 7.9742 113.2439 58.5117 28.8455 177.4560 50 K 4.2666 8.1941 118.7642 56.8990 32.4536 177.8568 51 G 4.0276 7.9502 108.7271 45.4617 0.0000 175.8869 52 Q 4.1368 7.9464 114.6802 56.4777 28.2045 176.1864 53 L 4.7407 8.6209 119.1678 52.0438 43.9048 174.8562 54 P 4.1535 0.0000 0.0000 64.0090 31.6281 178.7002 55 G 3.9047 8.9065 109.5278 46.2718 0.0000 173.6791 56 V 3.7617 7.7843 119.1725 62.7254 30.8065 174.9237 57 R 4.6132 8.0589 126.7447 53.5071 32.8712 175.0052 58 K 3.8470 8.5536 123.3965 56.2475 32.3096 176.7199 59 A 4.1671 8.4539 129.3855 52.7298 18.9383 176.9886 60 S 4.2595 8.1767 110.2791 57.6063 63.6217 175.8226 61 W 4.7644 8.1021 124.4405 56.5954 28.0733 175.1530 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 A 8.26 4.32 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 4.07 0.00 1.98 1.93 0.00 3.19 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 4 K 8.22 3.92 0.00 1.92 1.78 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.57 7.81 5 A 7.94 4.16 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 6 L 7.86 4.43 0.00 1.89 1.81 1.00 0.92 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 7 I 7.26 3.83 1.91 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 1.73 0.64 0.96 0.00 0.00 8 E 8.10 3.90 0.00 2.02 2.04 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 2.59 2.32 0.00 9 K 7.58 3.97 0.00 1.97 1.93 0.00 1.93 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.50 7.81 10 A 7.73 3.73 1.24 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 0.00 0.00 0.00 11 K 7.77 4.15 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.77 7.81 12 R 7.37 4.15 0.00 1.81 1.87 0.00 3.15 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 13 T 8.49 4.19 4.22 0.00 0.00 0.00 0.00 0.00 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 14 P 0.00 4.09 0.00 2.18 2.09 0.00 3.83 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 2.01 2.04 0.00 15 K 9.08 3.29 0.00 2.06 2.42 0.00 2.05 0.00 0.00 2.11 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.49 7.81 16 F 7.88 3.47 0.00 3.11 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 17 K 8.42 4.28 0.00 1.95 2.07 0.00 1.52 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.49 7.81 18 V 7.98 3.71 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 0.77 0.00 0.00 1.01 0.00 0.00 19 R 8.01 4.56 0.00 1.95 2.01 0.00 3.15 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 20 A 8.10 4.09 1.35 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 0.00 0.00 21 Y 7.64 4.16 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.59 3.99 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 23 R 8.47 4.54 0.00 1.90 1.90 0.00 3.50 0.00 0.00 3.42 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 24 C 8.72 3.89 0.00 3.07 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 25 V 7.93 3.79 2.14 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 0.85 0.00 0.00 1.02 0.00 0.00 26 R 8.34 4.07 0.00 1.87 1.71 0.00 3.32 0.00 0.00 3.30 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 27 C 9.51 4.01 0.00 3.12 3.12 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 28 G 8.80 3.83 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 0.00 0.00 0.00 29 R 8.59 3.74 0.00 1.90 1.93 0.00 3.15 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 30 A 8.65 4.38 1.24 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 0.00 0.00 0.00 31 R 7.76 4.42 0.00 1.81 1.85 0.00 3.35 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 32 S 8.30 3.45 0.00 4.02 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 33 V 7.37 4.59 2.13 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 1.03 0.00 0.00 0.92 0.00 0.00 34 Y 9.48 4.36 0.00 3.21 3.12 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 35 R 8.93 3.95 0.00 1.98 2.14 0.00 3.13 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 36 F 8.12 3.81 0.00 3.19 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 F 9.40 4.31 0.00 3.21 3.18 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 0.00 38 G 8.95 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 0.00 0.00 0.00 0.00 39 L 7.62 4.99 0.00 1.71 1.51 0.99 0.83 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 40 C 8.62 6.09 0.00 3.21 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 41 R 8.94 3.88 0.00 2.12 2.43 0.00 2.98 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 42 I 7.90 4.01 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.98 0.94 0.00 0.00 43 C 7.89 3.79 0.00 2.97 3.03 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 44 L 8.02 3.71 0.00 1.36 1.77 0.30 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.31 3.80 0.00 2.03 2.00 0.00 3.30 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 46 E 8.48 4.10 0.00 2.24 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 2.33 2.50 0.00 47 L 8.23 3.90 0.00 1.65 1.76 0.96 0.79 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 48 A 7.90 3.92 1.25 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 0.00 0.00 49 H 7.97 4.15 0.00 3.37 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.19 4.27 0.00 1.83 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 51 G 7.95 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 52 Q 7.95 4.14 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 53 L 8.62 4.74 0.00 1.57 1.79 0.81 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.15 0.00 2.20 2.03 0.00 3.80 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 55 G 8.91 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 56 V 7.78 3.76 2.27 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 0.70 0.00 0.00 1.28 0.00 0.00 57 R 8.06 4.61 0.00 1.78 1.77 0.00 3.31 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 58 K 8.55 3.85 0.00 1.73 1.71 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 59 A 8.45 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 60 S 8.18 4.26 0.00 3.75 3.76 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 61 W 8.10 4.76 0.00 3.30 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