NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6669 8.3649 120.3164 52.8758 41.3267 175.3706 2 Q 4.4214 7.6489 117.9403 52.3897 32.7815 174.1584 3 N 4.2880 9.0631 118.7223 55.9130 40.1230 173.7800 4 H 5.0315 7.7422 116.8806 54.6033 32.2847 174.0434 5 I 4.0880 7.7891 122.1479 60.5579 36.8860 176.2993 6 E 3.7545 7.2432 121.8899 56.4441 29.6091 175.0537 7 Q 4.7937 8.9484 116.1279 55.5440 29.7801 172.4616 8 P 4.5412 0.0000 0.0000 64.1368 32.2182 178.8037 9 F 4.4527 8.2061 120.7448 59.8407 39.8839 176.7591 10 Y 4.1481 7.9296 120.0391 60.0123 38.4124 177.6099 11 L 3.4838 7.8085 121.0892 58.3297 42.2881 178.2728 12 M 4.0773 7.0789 116.9943 58.4877 31.8280 178.8571 13 G 3.5645 7.0695 104.8435 46.7529 0.0000 174.9755 14 R 4.3473 6.6868 117.3079 55.9827 30.5033 176.4420 15 D 4.5327 8.3351 116.9429 54.8282 41.2483 177.5770 16 K 3.5103 8.4136 113.4017 60.7906 31.7392 177.4213 17 A 3.7212 8.7982 126.8747 56.0445 18.5447 179.5621 18 L 3.9583 7.7769 118.0470 57.8504 42.0663 178.5822 19 A 3.8894 9.1122 121.1743 54.0257 18.1810 179.4728 20 V 3.8465 7.5146 117.2954 65.6387 31.7407 177.4685 21 E 4.0604 7.8537 118.1680 58.2817 29.4897 178.3932 22 Q 3.9769 7.9724 119.4740 59.2789 29.2098 177.5384 23 F 4.1608 7.9935 117.2039 60.0273 38.9810 177.5632 24 I 3.9784 7.6394 119.5101 63.8902 37.1180 178.1322 25 S 4.1999 8.0638 112.8948 61.1459 62.2448 175.9365 26 R 4.1445 7.8826 119.9326 58.2009 30.3974 177.7411 27 F 4.1158 7.9077 119.0143 58.7796 39.5396 176.5328 28 N 4.0280 8.4798 111.2294 57.6073 38.2314 175.9936 29 S 3.7061 9.0895 123.1848 62.3178 63.4675 177.0634 30 G 3.4493 7.9445 108.7368 47.4967 0.0000 174.6442 31 Y 4.2793 9.1445 122.0490 59.5766 38.5070 177.5066 32 I 4.0411 7.5496 119.4471 63.6109 37.7691 177.0463 33 K 4.1216 7.8366 118.4213 57.4960 32.4879 177.4086 34 A 4.7283 7.5076 120.4952 52.2829 19.5901 178.5571 35 S 3.7470 7.0386 112.8056 61.8734 63.2151 176.4919 36 Q 4.0627 7.8886 121.1472 59.3668 28.5667 177.9645 37 E 4.0537 8.0773 118.8031 59.2179 29.4701 179.1754 38 L 4.0440 8.2290 119.7115 57.4673 41.4137 179.3852 39 V 3.8219 7.8382 118.2633 65.4847 31.2278 177.8132 40 S 4.1506 7.8937 111.6533 60.7327 62.4417 174.6500 41 Y 4.1346 7.6369 120.7531 59.9726 38.9007 176.7631 42 T 4.2047 7.6630 115.0081 65.5339 68.6199 176.7919 43 I 3.1271 7.0597 121.0854 63.4945 37.2101 176.8098 44 K 4.4078 7.5141 117.2776 55.2586 32.2567 175.7435 45 L 4.0876 8.3125 121.2940 55.1053 44.5993 174.7965 46 S 3.6041 8.6324 121.7065 60.2403 60.6356 171.6826 47 H 4.7452 8.2561 111.4786 55.1819 29.8702 174.2144 48 D 4.9734 7.3997 117.7042 52.6839 41.5106 175.6795 49 P 4.3304 0.0000 0.0000 65.9396 31.9668 177.7380 50 I 3.7369 7.6653 119.1692 64.2672 36.7828 177.9487 51 E 4.2323 8.2573 118.4085 58.7832 29.4705 178.1431 52 Y 3.8997 8.0028 116.1212 59.5398 37.7657 177.6389 53 L 3.9720 8.3090 122.1648 58.1317 42.4041 178.7581 54 L 4.0300 7.6054 119.1837 57.7820 41.8664 178.2660 55 E 4.0003 7.7446 118.9891 58.5587 29.4611 178.1425 56 Q 4.0057 8.0067 119.6678 58.3089 28.8225 177.1890 57 I 4.0398 7.4359 118.6690 62.9973 38.0172 177.1691 58 Q 3.8436 7.9969 119.9361 58.3430 28.8309 177.0975 59 N 4.2608 7.9334 118.0680 55.9451 38.6561 176.6818 60 L 4.0078 7.6008 120.5042 58.1009 41.9012 178.2272 61 H 3.9567 7.6880 117.1254 58.2921 29.8026 176.4620 62 R 4.2171 7.4863 119.7645 57.9447 29.9879 177.9945 63 V 3.7543 8.1907 118.2450 64.9985 31.7819 177.4129 64 T 4.1864 7.2427 114.7176 65.2021 68.5028 175.1029 65 L 3.9781 7.6357 122.2546 54.8874 42.4489 175.7964 66 A 3.7000 7.4521 114.2645 53.0896 15.4977 175.7941 67 E 4.7436 8.2569 121.2722 56.5708 30.4771 176.5330 68 G 3.7248 8.3088 113.7557 46.7681 0.0000 174.2486 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 D 8.36 4.67 0.00 2.81 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 2 Q 7.65 4.42 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 3 N 9.06 4.29 0.00 2.69 2.87 0.00 0.00 6.79 7.89 0.00 0.00 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 H 7.74 5.03 0.00 3.20 3.14 0.00 5.82 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.79 4.09 1.71 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.86 0.00 0.00 6 E 7.24 3.75 0.00 2.14 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 2.28 2.39 0.00 7 Q 8.95 4.79 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 8 P 0.00 4.54 0.00 2.33 2.34 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 9 F 8.21 4.45 0.00 3.15 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 10 Y 7.93 4.15 0.00 3.26 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 11 L 7.81 3.48 0.00 1.72 1.56 0.91 0.98 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 12 M 7.08 4.08 0.00 1.72 1.83 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 13 G 7.07 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 14 R 6.69 4.35 0.00 1.34 1.62 0.00 3.14 0.00 0.00 3.08 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 15 D 8.34 4.53 0.00 2.74 2.54 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 16 K 8.41 3.51 0.00 1.78 1.63 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.49 7.81 17 A 8.80 3.72 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 18 L 7.78 3.96 0.00 1.65 1.69 0.89 1.51 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 19 A 9.11 3.89 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 20 V 7.51 3.85 2.28 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 1.08 0.00 0.00 0.93 0.00 0.00 21 E 7.85 4.06 0.00 2.06 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 2.31 2.32 0.00 22 Q 7.97 3.98 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 23 F 7.99 4.16 0.00 3.23 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 24 I 7.64 3.98 1.92 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 1.42 1.17 0.93 0.00 0.00 25 S 8.06 4.20 0.00 3.97 3.93 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 0.00 0.00 0.00 26 R 7.88 4.14 0.00 2.14 2.00 0.00 3.32 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 27 F 7.91 4.12 0.00 3.64 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 28 N 8.48 4.03 0.00 3.04 2.70 0.00 0.00 6.56 7.02 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 29 S 9.09 3.71 0.00 4.04 4.17 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 30 G 7.94 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.14 4.28 0.00 3.10 3.22 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 0.00 32 I 7.55 4.04 2.16 0.00 0.00 0.98 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 0.77 0.92 0.00 0.00 33 K 7.84 4.12 0.00 1.72 1.75 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.41 7.81 34 A 7.51 4.73 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 35 S 7.04 3.75 0.00 3.98 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 36 Q 7.89 4.06 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 37 E 8.08 4.05 0.00 2.19 1.99 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 2.40 2.39 0.00 38 L 8.23 4.04 0.00 1.78 1.68 0.72 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.84 3.82 2.28 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 0.96 0.00 0.00 1.00 0.00 0.00 40 S 7.89 4.15 0.00 3.92 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 41 Y 7.64 4.13 0.00 3.08 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 42 T 7.66 4.20 4.35 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 1.38 0.00 0.00 43 I 7.06 3.13 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.48 0.82 0.00 0.00 44 K 7.51 4.41 0.00 1.52 1.65 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.30 7.81 45 L 8.31 4.09 0.00 1.15 1.33 0.89 0.82 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 46 S 8.63 3.60 0.00 3.98 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 47 H 8.26 4.75 0.00 3.22 3.24 0.00 5.89 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.40 4.97 0.00 2.57 2.10 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 49 P 0.00 4.33 0.00 2.29 2.25 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 50 I 7.67 3.74 1.89 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 1.64 1.10 0.93 0.00 0.00 51 E 8.26 4.23 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 52 Y 8.00 3.90 0.00 3.26 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 53 L 8.31 3.97 0.00 2.04 1.69 0.95 0.66 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 54 L 7.61 4.03 0.00 1.92 1.65 0.92 0.85 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 55 E 7.74 4.00 0.00 2.03 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 2.09 2.24 0.00 56 Q 8.01 4.01 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 57 I 7.44 4.04 2.04 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 1.42 1.11 0.97 0.00 0.00 58 Q 8.00 3.84 0.00 2.44 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 59 N 7.93 4.26 0.00 3.05 2.75 0.00 0.00 6.65 7.72 0.00 0.00 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 L 7.60 4.01 0.00 2.04 1.65 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 61 H 7.69 3.96 0.00 3.39 3.31 0.00 5.99 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.49 4.22 0.00 2.19 1.89 0.00 3.13 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 63 V 8.19 3.75 2.15 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 0.89 0.00 0.00 0.94 0.00 0.00 64 T 7.24 4.19 4.36 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 1.18 0.00 0.00 65 L 7.64 3.98 0.00 1.67 1.68 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.45 3.70 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.74 0.00 2.02 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 0.00 2.16 2.28 0.00 68 G 8.31 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00