NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6868 8.4449 120.3834 55.9523 31.6203 173.9065 1 M 4.6318 7.7253 116.5413 54.4131 33.2458 174.0441 2 L 4.2283 8.0304 118.3338 53.8879 43.7299 176.2248 3 C 4.0855 8.6422 121.2222 59.8127 31.6251 174.4683 4 A 4.0326 7.8327 129.7206 53.7400 18.4831 178.4103 5 I 4.1076 7.9516 116.4379 63.4237 37.7412 177.1359 6 S 4.4203 8.1004 111.8034 57.8284 63.9017 175.2603 7 G 3.8918 8.3532 108.5248 45.3559 0.0000 173.7255 8 K 4.2344 7.6063 119.1689 54.9943 33.0917 176.4816 9 V 3.8884 8.0998 120.6520 62.1478 31.4163 174.2584 10 P 4.6212 0.0000 0.0000 62.9123 31.8117 176.9019 11 R 4.2317 9.1380 122.1235 58.2473 30.8327 177.0962 12 R 4.7646 8.3881 117.4433 53.0524 30.5457 172.9850 13 P 4.9878 0.0000 0.0000 62.9463 33.1055 176.4656 14 V 4.9817 9.0350 114.6473 59.6675 36.7634 173.8621 15 L 5.2376 8.9466 124.3348 53.3963 44.9614 175.1695 16 S 4.8975 8.9735 121.7390 57.0468 63.0541 173.2363 17 P 4.4603 0.0000 0.0000 64.9699 31.7021 177.9417 18 K 4.1281 7.9696 118.8122 59.3716 32.0951 178.3966 19 S 4.3987 8.2204 110.0804 58.1968 63.7658 173.8304 20 R 3.9699 7.8548 119.3474 57.9728 28.2623 175.8324 21 T 4.6910 7.6835 111.2700 61.7672 72.9968 173.7866 22 I 4.7574 7.8460 124.3216 60.6863 39.2045 174.8174 23 F 5.1039 9.0123 123.0558 55.5147 44.2432 173.6725 24 E 4.2901 8.8586 121.5017 55.8075 30.4083 176.8364 25 K 3.8647 8.9488 128.4351 60.2414 32.1635 179.1009 26 S 4.1861 8.0376 113.4788 61.2529 63.0457 176.1908 27 L 4.0376 7.8535 122.3322 57.4501 41.4716 178.8943 28 L 3.8012 8.1350 120.4004 58.0488 41.9336 178.7669 29 E 3.9246 8.3151 118.6443 59.3941 29.3016 179.1608 30 Q 3.9284 8.2847 119.6190 59.3725 29.0071 177.6623 31 Y 3.8163 8.0577 120.5625 60.5910 38.7486 178.2525 32 V 3.6682 8.1210 119.3771 65.9686 31.4496 178.2087 33 K 3.9769 8.1538 117.5447 59.5007 31.9025 178.8161 34 D 4.4299 8.2253 119.1129 56.5726 40.8895 177.8716 35 T 4.3657 7.6317 107.4080 60.2255 70.5694 175.4032 36 G 3.8890 8.3768 109.7878 45.5785 0.0000 172.3949 37 N 5.5552 7.8617 116.3345 50.7504 42.6420 173.0853 38 D 4.4957 8.9606 120.3214 53.4616 41.6845 175.5022 39 P 4.2086 0.0000 0.0000 63.8563 31.7979 176.8781 40 I 4.2237 8.3837 119.8395 62.9584 38.2623 176.8399 41 T 4.1588 8.1476 107.2925 61.4081 69.4019 174.9961 42 N 4.4128 8.0991 117.6823 53.8717 37.0803 174.0712 43 E 4.3125 7.7941 118.0239 55.3416 30.8701 174.7019 44 P 4.9963 0.0000 0.0000 62.5583 32.1197 175.6592 45 L 4.9836 8.7519 125.3217 53.4779 45.2520 175.6444 46 S 4.8016 9.1405 120.6121 56.4519 65.1986 175.3288 47 I 3.7277 8.2762 123.0009 64.6531 37.0354 178.2474 48 E 4.1209 8.0611 118.1855 58.6670 29.4393 177.5976 49 E 4.2208 7.9359 117.2485 57.8195 29.9756 177.1122 50 I 4.0679 7.4582 120.2800 61.1974 38.1393 175.7169 51 V 4.3005 8.5225 126.3183 61.2124 33.1631 174.5677 52 E 4.5652 8.8232 128.0902 56.2289 30.3613 176.1687 53 I 4.3447 8.2302 125.2774 59.9548 38.6261 175.5034 54 V 4.1490 8.2560 126.7808 60.4999 32.6713 173.9012 55 P 4.4796 0.0000 0.0000 62.3800 31.9417 176.1570 56 S 4.3403 8.3390 114.2362 58.2997 63.9485 174.0829 57 A 4.1946 8.2002 124.1589 52.6494 19.0399 175.9394 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 0 H 8.44 4.69 0.00 3.12 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.73 4.63 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 2 L 8.03 4.23 0.00 1.58 1.56 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 3 C 8.64 4.09 0.00 2.96 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.83 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.95 4.11 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.97 0.00 0.00 6 S 8.10 4.42 0.00 3.99 4.02 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 0.00 0.00 0.00 0.00 7 G 8.35 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.61 4.23 0.00 1.88 1.74 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.53 7.81 9 V 8.10 3.89 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 0.79 0.00 0.00 0.93 0.00 0.00 10 P 0.00 4.62 0.00 2.09 1.99 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 11 R 9.14 4.23 0.00 1.81 1.99 0.00 3.27 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 12 R 8.39 4.76 0.00 1.69 1.83 0.00 3.30 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 13 P 0.00 4.99 0.00 2.12 2.18 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 14 V 9.04 4.98 2.22 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 0.75 0.00 0.00 1.04 0.00 0.00 15 L 8.95 5.24 0.00 1.69 1.52 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.97 4.90 0.00 3.98 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 17 P 0.00 4.46 0.00 2.23 2.18 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 18 K 7.97 4.13 0.00 2.01 2.14 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.48 1.53 7.81 19 S 8.22 4.40 0.00 4.05 4.23 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 20 R 7.85 3.97 0.00 1.98 2.04 0.00 3.11 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 21 T 7.68 4.69 4.25 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 0.66 0.00 0.00 22 I 7.85 4.76 1.74 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 1.33 0.69 0.87 0.00 0.00 23 F 9.01 5.10 0.00 2.87 2.86 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 24 E 8.86 4.29 0.00 2.09 1.89 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 0.00 2.41 2.39 0.00 25 K 8.95 3.86 0.00 2.05 1.84 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.59 7.81 26 S 8.04 4.19 0.00 4.10 4.12 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 27 L 7.85 4.04 0.00 1.91 1.82 0.97 0.59 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 28 L 8.13 3.80 0.00 1.46 1.57 0.13 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.32 3.92 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 30 Q 8.28 3.93 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 31 Y 8.06 3.82 0.00 3.22 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 32 V 8.12 3.67 2.19 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 1.06 0.00 0.00 1.02 0.00 0.00 33 K 8.15 3.98 0.00 1.83 1.82 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.63 7.81 34 D 8.23 4.43 0.00 2.49 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 35 T 7.63 4.37 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 0.42 0.00 0.00 36 G 8.38 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.86 5.56 0.00 2.87 2.83 0.00 0.00 6.62 7.97 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 38 D 8.96 4.50 0.00 2.72 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 39 P 0.00 4.21 0.00 1.73 0.49 0.00 3.09 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 1.88 1.28 0.00 40 I 8.38 4.22 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.93 0.00 0.00 41 T 8.15 4.16 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 42 N 8.10 4.41 0.00 2.96 3.01 0.00 0.00 7.00 7.62 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 43 E 7.79 4.31 0.00 1.98 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 2.34 2.31 0.00 44 P 0.00 5.00 0.00 1.93 1.99 0.00 3.68 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 45 L 8.75 4.98 0.00 1.57 1.48 0.98 0.83 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 9.14 4.80 0.00 4.15 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 47 I 8.28 3.73 1.86 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 1.40 0.81 0.91 0.00 0.00 48 E 8.06 4.12 0.00 1.93 2.01 0.00 0.00 0.00 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 2.39 0.00 49 E 7.94 4.22 0.00 2.14 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 2.34 2.28 0.00 50 I 7.46 4.07 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.45 0.93 0.00 0.00 51 V 8.52 4.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 52 E 8.82 4.57 0.00 1.91 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 2.33 2.35 0.00 53 I 8.23 4.34 2.03 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 1.13 0.55 0.92 0.00 0.00 54 V 8.26 4.15 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 0.83 0.00 0.00 0.94 0.00 0.00 55 P 0.00 4.48 0.00 2.22 2.04 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 56 S 8.34 4.34 0.00 4.00 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 57 A 8.20 4.19 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