NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 K 4.2481 8.1727 121.7897 55.7322 33.1371 175.6891 -6 S 3.8614 7.9466 117.2281 61.4208 62.5114 173.5370 -5 S 4.2280 7.8314 117.7468 62.3396 63.0661 175.8975 -4 H 4.2266 8.1566 119.8817 59.3921 29.7827 177.3229 -3 T 3.6949 7.8295 117.1673 66.4574 68.3666 175.8759 -2 L 3.8945 8.5966 122.7164 58.1101 42.1153 178.5498 -1 K 3.8165 8.1675 119.8036 60.1517 32.1222 178.7316 0 T 3.9928 7.9333 109.1001 64.2384 68.6026 176.4791 1 A 4.0378 7.8083 123.9608 55.0468 18.4536 179.1709 2 N 4.2928 8.5632 115.7133 56.6759 38.8207 177.8939 3 S 4.1264 8.1887 115.5018 61.2637 63.0203 175.7376 4 Y 4.0513 8.1793 123.2275 60.9674 38.5111 177.9314 5 T 3.8067 8.0863 116.6898 67.0485 68.6447 176.0399 6 D 4.2771 8.2305 120.3607 57.3974 40.8915 179.1542 7 V 3.5431 7.5557 118.3509 66.0864 31.5327 178.2116 8 T 3.6299 7.6064 115.4907 66.6933 68.2868 176.8859 9 V 3.5501 7.7886 120.1758 65.9571 31.5031 178.0112 10 S 4.0741 8.1690 113.0398 61.1959 62.1474 175.9195 11 N 4.2511 8.1773 119.2616 56.2433 38.2317 176.9188 12 S 4.0481 7.9962 114.5816 61.9743 62.3572 176.2268 13 T 3.8461 7.9174 117.9495 66.7795 68.1633 176.4844 14 K 3.8993 7.9040 119.8844 59.3308 32.0241 179.1730 15 K 3.8482 8.2169 119.6250 59.5760 32.0545 178.5713 16 A 3.9602 8.2193 121.1427 55.1884 18.1876 179.7577 17 I 3.6414 7.7658 118.2411 64.5320 37.2251 178.7712 18 R 3.9106 8.2296 119.2027 59.3522 29.9199 178.9877 19 E 3.9569 8.3735 118.3084 59.6423 29.4231 179.6585 20 S 4.1477 8.2536 115.2367 61.6931 62.7953 176.4992 21 N 4.3496 8.4531 119.3757 56.4780 38.2043 177.5490 22 Q 3.8948 8.1873 119.4780 58.8089 28.7409 177.7688 23 Y 4.0950 8.1315 120.6439 61.1717 38.5753 178.1479 24 T 3.8690 8.0235 115.2514 67.0281 68.7126 175.5061 25 D 4.5380 7.9718 119.0012 57.8836 40.9706 178.5077 26 H 4.4386 7.9080 114.9464 58.8373 28.7850 179.0776 27 K 3.7679 7.4856 116.5263 57.2626 32.1774 177.4319 22 H 4.2848 8.2873 117.8780 58.1089 28.3409 175.8689 23 Q 3.8850 8.3315 120.1439 58.9717 30.1753 178.2479 24 L 3.8590 8.0335 123.4514 60.3281 41.3126 178.4061 25 E 4.2480 8.0518 118.8012 60.2836 29.7706 178.8077 26 N 4.4486 7.8880 115.4464 56.9373 38.6850 180.1776 27 R 3.7879 7.4256 116.6263 57.0626 29.9774 177.1319 35 L 4.0986 7.8437 119.1034 58.0000 42.1276 178.4167 36 D 4.3537 7.9049 118.6917 57.2947 40.9614 178.6905 37 K 4.0457 7.8568 118.5250 59.2712 32.0987 179.3179 38 L 4.0067 7.8155 119.0033 57.7071 41.6124 178.9881 39 E 3.9559 8.1996 119.3290 59.1607 29.5495 178.9780 40 K 4.0105 8.1300 118.6301 59.3555 32.0691 179.6560 41 R 3.8886 7.9007 118.1032 59.1180 29.9901 178.4036 42 L 3.9137 8.0073 120.0752 58.4883 42.0237 178.9780 43 L 3.9941 8.1583 118.5509 57.8290 41.4178 179.8420 44 K 3.9528 8.3078 118.5249 59.2803 31.5225 179.1187 45 L 3.9699 8.0115 120.5823 58.1887 41.8105 179.1219 46 L 3.9995 7.9137 117.6235 57.6927 41.6757 178.9534 47 A 4.1483 8.1172 120.0887 54.2306 18.3454 178.6803 48 S 4.6421 7.6249 109.6726 58.2583 64.0219 174.2395 49 S 4.2302 7.7306 121.9363 58.5801 62.4442 173.1177 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 -7 K 8.17 4.25 0.00 1.86 1.81 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.52 7.81 -6 S 7.95 3.86 0.00 4.00 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 -5 S 7.83 4.23 0.00 4.06 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 -4 H 8.16 4.23 0.00 3.23 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 T 7.83 3.69 4.37 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 1.18 0.00 0.00 -2 L 8.60 3.89 0.00 1.80 1.85 0.99 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 -1 K 8.17 3.82 0.00 1.98 2.02 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.50 7.81 0 T 7.93 3.99 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 1 A 7.81 4.04 1.45 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 2 N 8.56 4.29 0.00 2.96 2.90 0.00 0.00 6.82 7.24 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 3 S 8.19 4.13 0.00 4.09 4.15 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 4 Y 8.18 4.05 0.00 3.10 3.20 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 5 T 8.09 3.81 4.40 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 1.20 0.00 0.00 6 D 8.23 4.28 0.00 2.79 2.69 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 7 V 7.56 3.54 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 0.98 0.00 0.00 1.00 0.00 0.00 8 T 7.61 3.63 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 1.06 0.00 0.00 9 V 7.79 3.55 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 0.96 0.00 0.00 0.91 0.00 0.00 10 S 8.17 4.07 0.00 3.91 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 11 N 8.18 4.25 0.00 3.09 2.81 0.00 0.00 6.61 6.94 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 12 S 8.00 4.05 0.00 3.85 4.04 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 13 T 7.92 3.85 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 14 K 7.90 3.90 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 15 K 8.22 3.85 0.00 1.92 1.93 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.46 7.81 16 A 8.22 3.96 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 17 I 7.77 3.64 1.96 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 1.52 0.73 0.91 0.00 0.00 18 R 8.23 3.91 0.00 1.83 1.98 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 19 E 8.37 3.96 0.00 2.07 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 2.33 2.48 0.00 20 S 8.25 4.15 0.00 3.92 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 21 N 8.45 4.35 0.00 2.91 2.87 0.00 0.00 7.06 8.83 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 22 Q 8.19 3.89 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 23 Y 8.13 4.10 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 24 T 8.02 3.87 4.45 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 1.22 0.00 0.00 25 D 7.97 4.54 0.00 2.70 2.72 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 26 H 7.91 4.44 0.00 3.11 3.25 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.49 3.77 0.00 1.73 1.72 0.00 1.57 0.00 0.00 1.33 0.00 0.00 2.38 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.87 1.11 7.81 22 H 8.29 4.28 0.00 3.37 3.23 0.00 7.11 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.33 3.89 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 24 L 8.03 3.86 0.00 1.63 1.57 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.05 4.25 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 2.35 2.42 0.00 26 N 7.89 4.45 0.00 2.65 2.84 0.00 0.00 7.12 7.32 0.00 0.00 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 R 7.43 3.79 0.00 1.75 1.73 0.00 3.09 0.00 0.00 2.85 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.30 0.00 35 L 7.84 4.10 0.00 1.78 1.77 0.91 1.25 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 36 D 7.90 4.35 0.00 2.97 2.69 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 37 K 7.86 4.05 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.70 7.81 38 L 7.82 4.01 0.00 1.85 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.20 3.96 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 2.30 2.34 0.00 40 K 8.13 4.01 0.00 2.00 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.65 7.81 41 R 7.90 3.89 0.00 2.09 1.97 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 42 L 8.01 3.91 0.00 1.75 1.82 0.92 0.55 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 43 L 8.16 3.99 0.00 1.73 1.71 0.92 0.92 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 44 K 8.31 3.95 0.00 2.00 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 45 L 8.01 3.97 0.00 1.91 1.86 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.91 4.00 0.00 1.66 1.71 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.12 4.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.62 4.64 0.00 3.98 4.01 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 0.00 0.00 0.00 49 S 7.73 4.23 0.00 3.81 3.82 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