NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3664 8.2549 119.0763 55.0421 30.7493 175.2266 4 P 4.2394 0.0000 0.0000 61.3329 31.9439 175.4157 5 R 4.3496 8.5040 120.4968 55.9245 31.0064 176.2434 6 T 4.0315 8.5164 117.7223 60.5519 68.1609 173.1569 7 A 4.4069 7.9780 126.7986 50.8888 19.8234 176.8269 8 F 4.8444 8.6202 121.8378 56.0343 40.7230 176.7451 9 S 4.5001 9.2536 120.3141 57.7883 65.0747 175.6160 10 S 4.1210 8.6161 118.1361 62.0702 62.4972 177.0158 11 E 3.9586 8.0916 120.4520 59.4559 29.2166 179.2776 12 Q 3.9401 7.9659 117.6397 58.9671 28.7156 178.8443 13 L 3.5799 8.2328 120.1102 57.3844 41.7340 179.2223 14 A 3.9266 8.2271 121.1678 55.2612 18.2679 179.6522 15 R 3.7757 7.7988 116.8945 59.5928 30.0996 178.6684 16 L 3.5971 7.6741 118.8301 57.4837 41.3161 179.7246 17 K 4.1403 8.0299 118.6699 59.4870 31.9814 179.4099 18 R 3.9276 7.8599 118.5675 59.4899 29.9609 178.3679 19 E 4.0642 8.4335 118.5525 59.5262 29.2773 179.1703 20 F 4.2990 8.4986 119.9605 61.3222 39.5136 176.5998 21 N 4.5128 8.1504 115.0848 55.4276 38.4164 176.9414 22 E 4.3303 7.7296 119.4049 57.5639 29.9593 176.8453 23 N 4.7193 7.8218 116.7578 52.8138 41.7516 174.1609 24 R 3.7979 8.5204 124.0327 56.7901 30.6049 175.8122 25 Y 4.7402 8.2302 116.1289 55.9616 40.6617 175.0091 26 L 4.4028 8.4060 123.8871 53.6417 43.4617 176.6193 27 T 4.6388 7.9970 114.7379 60.2066 72.5300 176.1297 28 E 3.9699 8.5373 120.0704 61.4031 29.5765 178.5100 29 R 4.0929 7.9111 116.9838 59.1039 29.4277 178.7550 30 R 3.8386 7.9282 119.1708 58.9414 30.0515 178.3869 31 R 3.8049 8.2464 118.9436 59.5693 30.0935 178.5769 32 Q 3.9849 8.3752 118.1295 58.9029 28.6175 178.4711 33 Q 3.9702 8.3865 120.9177 59.1777 29.0368 178.3326 34 L 3.9687 8.1453 120.1799 57.7411 41.6504 179.4007 35 S 4.3127 8.4889 114.6864 60.9842 62.1598 176.4820 36 S 4.1796 7.9628 115.5363 61.2435 62.9069 175.6756 37 E 4.2233 8.3826 120.8124 57.5290 29.5530 177.6530 38 L 4.5985 8.0364 117.1596 53.2415 42.8352 176.5965 39 G 3.9215 8.0501 106.6679 46.5497 0.0000 173.4187 40 L 4.7778 7.5242 118.0235 51.7742 44.8341 175.9250 41 N 4.4026 8.5386 119.8821 53.8255 40.7726 175.7951 42 E 4.0022 8.8847 125.5076 59.5222 29.5927 179.4410 43 A 4.0447 8.5450 120.8646 55.5282 18.4658 179.7867 44 Q 4.1253 8.0296 115.9135 59.0001 28.8309 178.8740 45 I 3.9502 7.8705 120.9990 64.3498 37.1390 178.2708 46 K 4.0410 8.4711 120.7559 59.7164 31.9678 178.8022 47 I 3.7787 8.1333 120.0578 64.1376 36.9565 178.1922 48 W 3.9565 8.5676 129.1903 60.4641 30.5439 178.0517 49 F 3.8884 8.7804 117.7632 60.5738 38.3336 177.6374 50 Q 4.0269 8.4838 117.8370 59.1935 28.4886 178.7247 51 N 4.1491 8.4052 117.5640 56.1780 38.2750 177.3850 52 A 3.1864 7.1338 121.4205 54.7523 18.1987 179.6302 53 R 4.0600 7.6672 115.5587 59.0937 30.1884 178.7250 54 A 4.1592 7.9377 122.2311 55.7349 18.5399 178.7015 55 K 4.1164 7.7976 125.0594 57.2314 31.8829 178.3860 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 3 R 8.25 4.37 0.00 1.85 1.82 0.00 3.24 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 4 P 0.00 4.24 0.00 2.11 2.02 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 5 R 8.50 4.35 0.00 1.83 1.72 0.00 3.26 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 6 T 8.52 4.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 7 A 7.98 4.41 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.62 4.84 0.00 2.98 2.93 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 9 S 9.25 4.50 0.00 4.02 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 10 S 8.62 4.12 0.00 3.89 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 11 E 8.09 3.96 0.00 2.05 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 2.39 2.45 0.00 12 Q 7.97 3.94 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 13 L 8.23 3.58 0.00 1.76 1.65 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.23 3.93 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 15 R 7.80 3.78 0.00 1.90 2.00 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 16 L 7.67 3.60 0.00 0.35 0.13 -0.16 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.03 4.14 0.00 1.84 1.91 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.60 1.61 7.81 18 R 7.86 3.93 0.00 1.92 2.06 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 19 E 8.43 4.06 0.00 2.35 2.26 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 2.52 2.53 0.00 20 F 8.50 4.30 0.00 3.10 3.34 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 21 N 8.15 4.51 0.00 3.04 2.90 0.00 0.00 7.06 7.79 0.00 0.00 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 E 7.73 4.33 0.00 2.11 2.02 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 2.58 2.48 0.00 23 N 7.82 4.72 0.00 2.66 2.72 0.00 0.00 7.32 7.46 0.00 0.00 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 R 8.52 3.80 0.00 1.38 1.33 0.00 3.02 0.00 0.00 2.95 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 25 Y 8.23 4.74 0.00 3.07 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.41 4.40 0.00 1.50 1.41 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.00 4.64 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 1.21 0.00 0.00 28 E 8.54 3.97 0.00 1.99 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 2.32 1.95 0.00 29 R 7.91 4.09 0.00 2.02 2.21 0.00 2.93 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 30 R 7.93 3.84 0.00 1.91 1.89 0.00 3.09 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 31 R 8.25 3.80 0.00 1.91 2.04 0.00 3.30 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 32 Q 8.38 3.98 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 33 Q 8.39 3.97 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 34 L 8.15 3.97 0.00 1.87 1.73 0.98 0.88 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 35 S 8.49 4.31 0.00 3.91 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 0.00 36 S 7.96 4.18 0.00 4.08 3.98 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 0.00 0.00 0.00 37 E 8.38 4.22 0.00 2.03 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 2.32 2.48 0.00 38 L 8.04 4.60 0.00 1.72 1.70 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.05 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 0.00 0.00 0.00 40 L 7.52 4.78 0.00 1.74 1.61 1.11 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.54 4.40 0.00 2.76 2.71 0.00 0.00 7.14 7.65 0.00 0.00 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 E 8.88 4.00 0.00 2.07 2.02 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 2.42 2.40 0.00 43 A 8.55 4.04 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 44 Q 8.03 4.13 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 45 I 7.87 3.95 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.87 1.03 0.00 0.00 46 K 8.47 4.04 0.00 1.87 2.05 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.56 7.81 47 I 8.13 3.78 2.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 1.01 0.00 0.00 48 W 8.57 3.96 0.00 3.48 3.37 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 0.00 49 F 8.78 3.89 0.00 3.31 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.48 4.03 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 51 N 8.41 4.15 0.00 2.55 2.60 0.00 0.00 6.97 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.13 3.19 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 4.06 0.00 1.93 2.01 0.00 2.88 0.00 0.00 2.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 54 A 7.94 4.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 4.12 0.00 1.86 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.33 7.81