NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5201 8.1633 118.3327 54.9165 33.2070 174.5716 2 K 4.3075 8.5177 120.1000 54.8770 33.2286 175.3617 3 C 4.1240 8.8076 124.1388 59.2235 32.6515 172.0423 4 P 4.5337 0.0000 0.0000 63.4014 31.5620 176.2936 5 V 4.0564 7.6855 118.0913 64.4015 33.1802 175.9633 6 C 4.3877 7.8017 112.1211 57.6086 30.5730 173.9324 7 H 4.2755 8.0655 116.2199 56.5902 26.6213 175.0599 8 Q 4.3309 7.9346 115.1133 57.4920 31.1697 176.1648 9 G 3.8448 7.9337 104.9529 46.0539 0.0000 172.2650 10 E 5.1423 8.6071 120.3053 54.9829 32.0486 175.0250 11 M 4.8712 8.6250 123.2009 54.8128 33.2596 176.2599 12 V 4.6042 8.7652 116.0314 59.3311 36.1945 175.1176 13 S 4.7196 8.7755 119.9842 58.8560 63.6184 173.7497 14 G 4.2344 9.0109 110.8549 45.8266 0.0000 171.4034 15 I 5.2495 8.1781 119.6434 59.3146 40.1506 175.4609 16 K 4.4757 8.9612 127.0780 54.6299 36.0959 174.3210 17 D 5.1623 8.5627 125.1578 53.1471 42.4187 175.8485 18 I 4.4269 8.6979 125.3824 58.7024 39.2968 173.5798 19 P 4.8792 0.0000 0.0000 63.0585 32.2506 175.6898 20 Y 5.1005 8.9907 123.7654 56.7220 42.6310 173.4197 21 T 5.0629 8.5997 122.7853 61.6795 71.3061 173.4623 22 F 4.5129 8.8672 127.9377 57.3589 41.9228 174.6833 23 R 3.5096 9.0910 127.6608 57.1689 27.4057 177.4291 24 G 3.8858 8.2216 103.8993 45.5247 0.0000 174.0715 25 R 4.5093 7.9765 120.2860 54.7355 31.3751 175.2094 26 K 4.9996 8.5483 122.0375 55.3663 34.1595 175.4112 27 T 4.5488 8.8453 118.1666 60.7764 71.8264 171.9942 28 V 4.6922 7.9479 122.2654 60.8581 34.1339 174.7090 29 L 4.4049 9.0147 129.1295 54.1322 42.3066 176.1777 30 K 4.6136 8.8286 124.0966 55.6059 33.5241 177.0919 31 G 3.7357 8.9122 111.4230 46.7463 0.0000 174.4808 32 I 4.3300 7.9961 121.5026 60.2526 38.2797 176.3341 33 H 4.9057 9.1286 125.0757 55.5524 29.7975 175.2449 34 G 3.6506 8.2875 107.8068 46.3425 0.0000 171.3731 35 L 5.0049 7.7564 119.8791 53.7119 43.5207 176.0799 36 Y 5.1789 9.0171 120.1092 56.1397 42.4041 174.2564 37 C 4.7391 9.1428 124.7579 59.2907 32.1267 174.8213 38 V 3.7135 8.5421 120.2433 64.3054 31.2432 177.0905 39 H 4.6165 8.4916 119.4275 57.8851 30.6428 175.3308 40 C 4.5107 7.8375 111.0545 57.1492 30.5164 174.6149 41 E 3.9890 8.1331 118.3657 56.4728 27.5393 173.8572 42 E 4.1094 7.4491 119.6390 57.0798 30.5726 175.9077 43 S 5.0021 8.5660 119.7575 56.4942 65.8807 173.2464 44 I 4.4114 8.4065 122.8356 59.8135 40.0493 174.2201 45 M 5.0748 8.4043 126.6135 53.1704 34.8678 176.5933 46 N 4.6516 9.0012 121.9427 51.7308 40.3848 175.7281 47 K 3.8416 8.4662 119.6989 60.0730 32.1651 178.5794 48 E 3.9586 8.1563 118.1814 59.4361 29.4005 179.0317 49 E 3.9769 8.8443 119.0351 59.4466 29.4847 179.3732 50 S 4.1610 8.6199 113.5536 61.4156 62.4616 175.9374 51 D 4.3471 8.4185 121.5546 57.2952 40.5372 178.6180 52 A 4.0080 8.0146 121.2368 55.0600 18.4339 179.4129 53 F 4.1822 8.4581 119.2305 61.9901 39.5411 177.3914 54 M 3.8131 8.6380 118.3521 57.8919 31.6549 178.5804 55 A 3.9705 8.0847 121.2505 55.2218 18.5559 179.6978 56 Q 3.8962 7.7915 116.0939 59.0017 28.7323 179.1005 57 V 3.4323 7.3975 119.0965 66.0854 31.4303 178.3210 58 K 3.8585 8.4170 118.2943 59.0660 31.8209 179.2346 59 A 3.9571 8.0912 121.2879 55.0225 18.2026 179.4753 60 F 4.1758 8.2761 118.9951 61.5775 39.4662 177.3855 61 R 3.1526 7.9963 117.5636 59.0492 29.7903 178.7928 62 A 3.9376 8.0731 120.5294 55.3073 18.1264 179.8862 63 S 4.0221 7.7078 112.3778 61.6798 63.3419 176.7218 64 V 3.6216 7.6567 121.0620 66.1914 31.0205 177.8604 65 N 4.3890 8.2773 114.9458 56.0160 38.4942 176.5493 66 A 4.2733 7.9502 119.4806 52.8870 18.8584 177.1768 67 E 4.2118 7.7630 121.8952 56.2386 29.9258 175.8272 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 M 8.16 4.52 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 2 K 8.52 4.31 0.00 2.12 1.79 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.06 7.81 3 C 8.81 4.12 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.20 2.12 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 5 V 7.69 4.06 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 0.85 0.00 0.00 0.92 0.00 0.00 6 C 7.80 4.39 0.00 3.17 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 7 H 8.07 4.28 0.00 3.37 3.41 0.00 5.60 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.93 4.33 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.21 0.00 9 G 7.93 3.84 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 0.00 10 E 8.61 5.14 0.00 2.03 1.86 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 2.32 1.89 0.00 11 M 8.63 4.87 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 12 V 8.77 4.60 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 0.72 0.00 0.00 1.07 0.00 0.00 13 S 8.78 4.72 0.00 3.77 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 14 G 9.01 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 0.00 0.00 0.00 15 I 8.18 5.25 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.60 0.81 0.00 0.00 16 K 8.96 4.48 0.00 0.88 1.13 0.00 0.92 0.00 0.00 0.97 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.11 1.11 7.81 17 D 8.56 5.16 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.70 4.43 2.02 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 1.30 1.05 1.04 0.00 0.00 19 P 0.00 4.88 0.00 1.98 2.01 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 20 Y 8.99 5.10 0.00 2.93 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.60 5.06 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 1.18 0.00 0.00 22 F 8.87 4.51 0.00 2.42 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.09 3.51 0.00 1.44 1.63 0.00 2.89 0.00 0.00 2.94 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 24 G 8.22 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 25 R 7.98 4.51 0.00 2.04 2.05 0.00 3.31 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 26 K 8.55 5.00 0.00 1.65 1.72 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.43 7.81 27 T 8.85 4.55 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 0.16 0.00 0.00 28 V 7.95 4.69 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 0.86 0.00 0.00 0.91 0.00 0.00 29 L 9.01 4.40 0.00 1.68 1.63 0.73 0.65 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 30 K 8.83 4.61 0.00 1.64 1.73 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.38 7.81 31 G 8.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.33 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.21 0.97 0.00 0.00 33 H 9.13 4.91 0.00 3.02 3.27 0.00 5.98 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 34 G 8.29 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.76 5.00 0.00 1.52 1.47 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 9.02 5.18 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.14 4.74 0.00 3.00 2.98 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 38 V 8.54 3.71 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 0.68 0.00 0.00 1.00 0.00 0.00 39 H 8.49 4.62 0.00 3.04 3.33 0.00 5.88 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.84 4.51 0.00 3.09 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 E 8.13 3.99 0.00 2.19 2.17 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 2.22 2.23 0.00 42 E 7.45 4.11 0.00 2.16 1.83 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 2.28 2.29 0.00 43 S 8.57 5.00 0.00 3.35 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 44 I 8.41 4.41 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.82 0.00 0.00 45 M 8.40 5.07 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.42 0.00 46 N 9.00 4.65 0.00 2.97 2.95 0.00 0.00 6.26 6.81 0.00 0.00 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 K 8.47 3.84 0.00 1.88 1.84 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.60 7.81 48 E 8.16 3.96 0.00 2.08 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 2.39 2.45 0.00 49 E 8.84 3.98 0.00 2.23 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 0.00 2.33 2.39 0.00 50 S 8.62 4.16 0.00 3.89 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 0.00 51 D 8.42 4.35 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.46 4.18 0.00 3.09 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 54 M 8.64 3.81 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.92 0.00 55 A 8.08 3.97 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 56 Q 7.79 3.90 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 57 V 7.40 3.43 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 -0.12 0.00 0.00 58 K 8.42 3.86 0.00 1.80 1.77 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 59 A 8.09 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 4.18 0.00 3.13 3.27 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 61 R 8.00 3.15 0.00 1.54 1.31 0.00 2.90 0.00 0.00 2.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.49 0.00 62 A 8.07 3.94 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 63 S 7.71 4.02 0.00 3.95 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 64 V 7.66 3.62 2.17 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 0.97 0.00 0.00 0.23 0.00 0.00 65 N 8.28 4.39 0.00 2.87 2.89 0.00 0.00 7.07 8.16 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 66 A 7.95 4.27 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 7.76 4.21 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00