NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2654 8.3001 120.3518 54.7265 34.3003 176.0065 2 A 4.0604 7.6292 131.1941 50.5716 17.9848 176.0195 3 G 3.8315 8.4372 109.4943 45.3937 0.0000 170.5333 4 V 3.7412 8.7858 118.4322 63.8219 29.4353 165.4350 5 K 3.7031 8.3164 130.6832 55.0954 33.2130 174.8655 6 A 4.4951 7.7841 124.1947 51.5396 20.7564 177.3330 7 Y 4.3472 7.4442 111.8865 59.7144 38.3315 177.1033 8 E 4.1097 8.0901 119.7212 59.0463 29.9114 178.0605 9 L 4.0707 7.7089 119.9201 58.1814 42.1706 178.5360 10 R 4.0440 7.6630 116.6908 58.0397 30.1232 176.5309 11 T 4.4715 7.5136 110.1510 61.3042 68.1333 173.5011 12 K 4.0563 7.6215 121.3565 56.5683 32.7210 176.1863 13 S 4.6499 9.0300 120.1822 57.5335 63.1876 173.8820 14 K 5.3936 8.2646 135.0000 57.9445 31.2397 176.8803 15 E 3.9981 7.6119 119.3439 59.1546 29.3820 179.0754 16 Q 3.9918 8.0480 117.7367 58.8756 28.8728 178.4299 17 L 3.9563 7.7900 120.6770 58.0249 42.1058 178.6764 18 A 3.9940 7.9726 120.7609 55.1666 17.9239 179.6006 19 S 4.0548 8.0438 111.5302 61.5995 62.5745 176.4508 20 Q 3.9348 8.1746 120.8945 58.7869 28.2323 178.4020 21 L 3.9943 8.1158 121.7603 57.9531 42.0293 179.0996 22 V 3.7779 7.7829 118.1847 63.5426 31.4092 177.0034 23 D 4.8066 7.4951 118.3006 54.6825 41.5282 177.5555 24 L 4.1021 7.7337 119.1844 55.7650 41.9092 177.9270 25 K 4.2172 7.6092 119.0214 57.7310 32.4324 178.1758 26 K 4.1248 7.5471 117.0504 58.7503 32.0759 178.9550 27 E 3.9799 7.6393 119.0788 59.3172 29.1880 179.0182 28 L 4.1498 7.4570 116.4230 56.6474 41.8964 178.3883 29 A 4.3428 7.4232 119.4739 53.4797 19.1180 178.6024 30 E 4.0587 7.9977 117.6294 58.2614 30.0325 177.2840 31 L 4.6321 7.4612 119.1672 53.4591 43.6972 176.1022 32 K 4.6728 7.3170 114.5245 54.9433 36.3625 176.1174 33 V 4.5312 8.1898 114.8646 59.3997 35.0129 175.2361 34 Q 4.4262 8.1172 119.8239 55.3387 30.3741 176.1070 35 K 4.0592 9.0657 120.8443 56.7357 30.9512 175.7239 36 L 4.8412 8.2948 117.4555 52.6496 42.5237 175.7194 37 S 5.1482 7.8565 121.4348 58.4060 60.3972 174.9053 38 R 4.6646 7.3967 116.5704 54.0726 31.9630 171.8532 39 P 4.6409 0.0000 0.0000 63.3646 32.1475 175.7160 40 S 4.1407 9.2610 110.3053 60.6110 63.6463 174.1600 41 L 4.4024 7.5950 119.3817 53.2096 43.8339 175.8765 42 P 4.3081 0.0000 0.0000 65.5175 30.9887 179.0174 43 K 3.9721 7.9879 118.4121 59.4504 32.2284 178.7631 44 I 3.6863 7.5845 119.7053 64.1396 37.0340 178.2001 45 K 3.9431 7.9914 120.3698 59.8496 31.9433 179.1319 46 T 3.8753 7.9921 116.0570 66.6316 68.4721 176.9433 47 V 3.6900 8.0948 120.1269 65.3439 31.0356 178.0733 48 R 3.9266 7.9326 118.4406 58.6221 29.7663 177.6455 49 K 4.5313 7.7562 115.4883 56.4727 32.5417 177.5819 50 S 4.4265 7.5992 115.6516 59.7703 62.8502 176.2393 51 I 3.7128 7.6592 122.5637 64.1194 36.5981 178.1712 52 A 3.9554 7.6447 120.5466 55.4287 17.9343 179.3508 53 C 4.1029 8.0130 117.0974 61.5821 31.5866 174.9997 54 V 4.2178 7.5779 111.2513 61.1581 31.8389 177.1192 55 L 4.2654 7.8044 119.5553 56.6888 41.6492 179.0214 56 T 3.9050 7.6031 110.5434 64.6300 68.7560 176.9344 57 V 3.5628 7.2319 120.9110 65.7997 31.4654 178.1827 58 I 3.7435 7.5834 119.2534 64.4146 37.0718 177.9978 59 N 4.5116 8.0014 116.8179 55.2820 38.3688 177.2743 60 E 3.9694 8.3315 121.7757 59.1275 29.7653 178.6548 61 Q 3.9826 8.1159 117.8562 59.4128 28.4800 178.5129 62 Q 3.9819 7.9312 119.8733 58.5861 28.4919 178.7571 63 R 3.9029 7.5506 118.3654 59.5733 30.4888 178.1868 64 E 4.1244 8.5657 118.4242 59.0928 29.5293 179.0857 65 A 4.0374 8.2045 121.0961 54.9753 18.2155 179.4958 66 V 3.7658 7.4758 115.2225 64.5900 31.7014 176.5049 67 R 4.4464 7.3965 116.3380 56.4914 30.0769 175.9749 68 Q 4.5616 7.7425 113.4493 56.0211 29.6273 175.6656 69 L 4.3593 7.6419 123.3627 54.8414 42.4108 176.1708 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 8.30 4.27 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 2 A 7.63 4.06 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 3 G 8.44 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 0.00 0.00 0.00 4 V 8.79 3.74 2.07 0.00 0.00 0.00 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 0.92 0.00 0.00 5 K 8.32 3.70 0.00 1.83 1.70 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.29 7.81 6 A 7.78 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.44 4.35 0.00 3.05 3.06 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 8 E 8.09 4.11 0.00 1.97 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 2.30 2.43 0.00 9 L 7.71 4.07 0.00 1.66 1.58 0.90 0.84 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 10 R 7.66 4.04 0.00 1.88 1.96 0.00 3.30 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 11 T 7.51 4.47 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 1.31 0.00 0.00 12 K 7.62 4.06 0.00 1.97 1.80 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.38 7.81 13 S 9.03 4.65 0.00 3.84 3.75 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 14 K 8.26 5.39 0.00 2.06 2.08 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.19 7.81 15 E 7.61 4.00 0.00 2.08 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 2.40 2.46 0.00 16 Q 8.05 3.99 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 17 L 7.79 3.96 0.00 1.67 1.81 0.91 0.96 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 18 A 7.97 3.99 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 19 S 8.04 4.05 0.00 4.04 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 20 Q 8.17 3.93 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 21 L 8.12 3.99 0.00 1.96 1.78 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.78 3.78 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 0.89 0.00 0.00 0.93 0.00 0.00 23 D 7.50 4.81 0.00 2.61 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 24 L 7.73 4.10 0.00 1.86 1.69 0.91 0.66 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 25 K 7.61 4.22 0.00 1.95 1.89 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.46 7.81 26 K 7.55 4.12 0.00 2.05 1.83 0.00 1.72 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 1.44 1.65 7.81 27 E 7.64 3.98 0.00 2.25 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 2.33 2.53 0.00 28 L 7.46 4.15 0.00 1.72 1.72 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.42 4.34 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 30 E 8.00 4.06 0.00 2.21 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 0.00 2.32 2.45 0.00 31 L 7.46 4.63 0.00 1.77 1.66 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.32 4.67 0.00 1.78 1.63 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.56 7.81 33 V 8.19 4.53 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 0.76 0.00 0.00 0.93 0.00 0.00 34 Q 8.12 4.43 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.95 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 35 K 9.07 4.06 0.00 1.94 1.98 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.39 7.81 36 L 8.29 4.84 0.00 1.57 1.58 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.86 5.15 0.00 3.99 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 38 R 7.40 4.66 0.00 1.95 1.90 0.00 3.02 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 39 P 0.00 4.64 0.00 2.25 1.87 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 40 S 9.26 4.14 0.00 3.85 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 41 L 7.60 4.40 0.00 1.76 1.66 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.31 0.00 2.15 2.10 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 43 K 7.99 3.97 0.00 1.81 1.79 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 44 I 7.58 3.69 2.22 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.82 0.91 0.00 0.00 45 K 7.99 3.94 0.00 1.85 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 46 T 7.99 3.88 4.27 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 1.20 0.00 0.00 47 V 8.09 3.69 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 48 R 7.93 3.93 0.00 2.03 2.15 0.00 3.12 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 1.62 1.67 0.00 49 K 7.76 4.53 0.00 1.92 1.77 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 50 S 7.60 4.43 0.00 3.96 3.94 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 0.00 0.00 0.00 0.00 51 I 7.66 3.71 2.07 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 1.45 1.08 0.90 0.00 0.00 52 A 7.64 3.96 1.32 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 0.00 0.00 0.00 53 C 8.01 4.10 0.00 3.10 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.58 4.22 2.06 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 0.99 0.00 0.00 1.00 0.00 0.00 55 L 7.80 4.27 0.00 1.74 1.70 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.60 3.91 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 1.27 0.00 0.00 57 V 7.23 3.56 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 1.01 0.00 0.00 0.98 0.00 0.00 58 I 7.58 3.74 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.91 0.00 0.00 59 N 8.00 4.51 0.00 2.76 2.85 0.00 0.00 6.68 7.69 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 60 E 8.33 3.97 0.00 2.22 2.06 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 2.30 2.31 0.00 61 Q 8.12 3.98 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 62 Q 7.93 3.98 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 63 R 7.55 3.90 0.00 1.80 2.26 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 64 E 8.57 4.12 0.00 2.01 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 2.47 2.47 0.00 65 A 8.20 4.04 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 66 V 7.48 3.77 2.27 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 0.83 0.00 0.00 0.98 0.00 0.00 67 R 7.40 4.45 0.00 1.93 2.12 0.00 3.36 0.00 0.00 3.41 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 68 Q 7.74 4.56 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 69 L 7.64 4.36 0.00 1.58 1.51 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00