NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.6297 8.4249 119.2039 53.4560 40.4015 174.7146 6 T 4.0198 7.7816 114.3680 62.5941 69.4719 171.7648 7 S 4.5243 9.0064 115.6875 58.1306 66.0340 174.0768 8 V 4.4969 8.1302 119.6350 60.1629 35.4114 173.6687 9 V 4.3110 8.2079 121.1457 59.9963 32.7866 175.7392 10 L 4.5689 8.3573 124.8731 52.6253 43.6137 176.1265 11 G 3.9071 8.5987 108.5135 45.5663 0.0000 174.3847 12 D 4.3801 8.6991 119.2590 57.4227 40.6965 178.7122 13 H 3.9927 8.0350 118.1312 59.4950 29.9374 177.2995 14 F 4.6408 7.8997 118.6821 60.2272 38.8669 177.4337 15 Q 4.0156 8.2892 119.4839 58.9230 28.7731 177.8824 16 A 4.1649 7.8883 121.2683 54.3724 18.7798 179.3373 17 F 4.1741 8.2497 120.6021 61.0170 39.5185 177.1208 18 I 3.5030 8.1024 119.5551 64.6510 36.9811 177.8092 19 D 4.3888 8.0939 119.5732 57.6361 40.2224 179.3791 20 S 4.1350 8.4317 114.8855 61.3952 63.0992 176.4348 21 Q 3.8879 8.2339 122.1114 58.7539 28.2432 179.0481 22 V 3.8009 7.9961 118.0614 65.5488 31.6706 177.0284 23 A 4.3764 7.6971 117.6545 53.2542 19.2289 177.6304 24 D 4.7957 8.1274 117.8713 53.0936 44.1048 176.4191 25 G 3.8783 8.2213 108.6610 46.8046 0.0000 175.1357 26 R 3.7058 7.4826 119.6312 58.5680 30.1220 176.1833 27 Y 4.8183 7.4539 111.6297 56.2526 41.9644 175.2703 28 G 3.8588 8.6051 108.4895 46.9879 0.0000 174.0518 29 S 4.5084 7.5228 113.3378 56.4562 66.4864 175.7583 30 A 3.9477 8.3302 123.0099 55.4245 17.9579 179.8623 31 S 4.0206 7.9929 113.0927 61.8902 63.0803 176.6582 32 E 3.9777 7.7402 120.8816 59.1014 29.1326 179.6845 33 V 2.5233 7.1738 117.8113 65.7833 31.5747 177.8260 34 I 3.5991 7.6779 119.6743 64.8813 36.8876 178.5954 35 R 3.8844 7.9850 118.2621 58.7784 29.8589 178.8427 36 A 4.2545 7.7392 120.6240 55.2097 18.3705 179.7450 37 G 3.6144 8.0116 104.0603 48.0106 0.0000 175.6953 38 L 3.9428 7.9655 121.4993 57.4705 41.6046 179.3764 39 R 3.8826 8.7461 119.6871 59.5531 29.8490 178.4532 40 L 3.9573 8.0192 118.4501 57.7118 41.7728 179.2087 41 L 3.8974 8.1949 120.5854 58.0637 42.0241 178.5425 42 E 3.8800 8.4627 119.5239 59.2779 29.5559 178.1807 43 E 3.9053 8.2790 119.3799 59.5779 29.7277 178.4624 44 N 4.2960 8.4441 116.8352 56.3152 39.0436 176.2821 45 E 4.0341 8.0301 120.2600 58.5186 29.6314 178.4696 46 A 3.9466 8.0307 121.0377 55.1721 18.5218 179.6136 47 K 3.8394 8.1985 117.1309 59.4818 32.1042 179.2732 48 L 3.8953 7.8119 119.7561 58.0968 42.1463 178.7345 49 A 3.9692 7.8373 119.9435 55.2771 18.2503 179.4330 50 A 3.9333 8.2232 119.3508 55.2882 18.3428 179.6754 51 L 3.8983 8.3547 119.2824 58.3503 42.1200 179.4339 52 R 3.9698 8.2500 117.8847 58.9214 29.8797 178.9183 53 A 3.9978 7.9135 120.4873 55.0115 18.3736 179.5665 54 A 4.0212 8.1893 119.3417 54.7511 18.3126 179.9358 55 L 3.9375 7.5869 117.5215 57.8173 42.0325 179.0549 56 I 3.6659 7.9433 120.1747 64.7181 36.8901 177.7033 57 E 3.9857 8.3557 118.8311 59.3879 29.7158 179.0333 58 G 3.5900 7.7840 105.0735 47.9829 0.0000 175.3574 59 E 4.1360 7.9824 120.2867 58.5612 29.4726 178.5612 60 E 4.6043 7.7522 115.7056 55.8885 30.0577 176.5126 61 S 4.3392 7.7293 112.4924 57.5460 63.7635 174.8133 62 G 3.9407 8.3881 107.5883 45.2197 0.0000 172.4771 63 F 4.7675 8.1005 115.5676 55.6545 42.6742 174.6918 64 I 4.3336 8.3705 125.4801 60.6080 38.0912 175.6746 65 E 4.5858 8.7858 123.0164 56.9117 30.4248 175.9848 66 D 4.9186 7.8147 117.9217 52.2773 40.0082 175.3766 67 F 4.0171 8.7048 122.0176 59.8908 39.7462 173.9830 68 D 4.5697 7.8541 127.1931 52.2895 42.0923 176.2871 69 F 3.3874 8.3973 129.5021 61.2996 39.6666 176.2129 70 D 4.4745 8.4508 117.8137 57.6805 40.5705 178.8115 71 A 3.9726 8.0957 120.9398 54.8929 18.3441 179.2742 72 F 3.9864 8.2472 119.5059 61.6639 39.1781 177.5284 73 I 3.5916 8.0647 118.3363 64.1998 37.1028 178.0595 74 E 4.0393 8.2483 119.3958 59.3367 29.1351 178.6202 75 E 3.8490 7.9828 118.1257 59.6561 29.7665 178.9595 76 R 4.1007 7.4227 114.6490 57.4949 30.0024 177.9112 77 S 4.5552 7.9618 113.5963 57.6036 63.7876 174.3752 78 R 4.0864 8.3564 123.1509 57.7043 28.7629 175.8678 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 5 N 8.42 4.63 0.00 2.70 2.87 0.00 0.00 7.04 6.82 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 6 T 7.78 4.02 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 1.20 0.00 0.00 7 S 9.01 4.52 0.00 3.78 3.69 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 8 V 8.13 4.50 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 0.73 0.00 0.00 0.93 0.00 0.00 9 V 8.21 4.31 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 0.78 0.00 0.00 0.96 0.00 0.00 10 L 8.36 4.57 0.00 1.77 1.85 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.60 3.91 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 0.00 0.00 0.00 12 D 8.70 4.38 0.00 2.73 2.74 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 13 H 8.03 3.99 0.00 3.01 2.93 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.90 4.64 0.00 3.21 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 15 Q 8.29 4.02 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 16 A 7.89 4.16 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 17 F 8.25 4.17 0.00 3.10 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.50 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.88 0.00 0.00 19 D 8.09 4.39 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.13 0.00 3.99 4.11 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 0.00 0.00 0.00 0.00 21 Q 8.23 3.89 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 1.60 1.34 0.00 22 V 8.00 3.80 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 0.82 0.00 0.00 0.96 0.00 0.00 23 A 7.70 4.38 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.80 0.00 2.86 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.48 3.71 0.00 2.10 1.43 0.00 3.05 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 27 Y 7.45 4.82 0.00 2.86 2.79 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 0.00 0.00 0.00 0.00 28 G 8.61 3.86 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 0.00 0.00 0.00 29 S 7.52 4.51 0.00 4.00 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 30 A 8.33 3.95 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 31 S 7.99 4.02 0.00 3.86 3.91 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 32 E 7.74 3.98 0.00 2.23 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 0.00 2.39 2.35 0.00 33 V 7.17 2.52 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 0.74 0.00 0.00 0.68 0.00 0.00 34 I 7.68 3.60 1.96 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 1.46 0.55 0.86 0.00 0.00 35 R 7.98 3.88 0.00 1.84 1.95 0.00 3.12 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 36 A 7.74 4.25 1.34 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 0.00 0.00 37 G 8.01 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 3.94 0.00 1.83 1.70 0.89 0.67 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 39 R 8.75 3.88 0.00 1.98 2.09 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 40 L 8.02 3.96 0.00 2.05 1.70 0.95 0.43 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 41 L 8.19 3.90 0.00 1.78 1.81 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.46 3.88 0.00 2.13 1.92 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 2.30 2.31 0.00 43 E 8.28 3.91 0.00 2.16 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 0.00 2.31 2.33 0.00 44 N 8.44 4.30 0.00 2.88 2.91 0.00 0.00 6.93 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.03 4.03 0.00 2.36 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 2.29 2.36 0.00 46 A 8.03 3.95 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 47 K 8.20 3.84 0.00 1.80 1.88 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 48 L 7.81 3.90 0.00 1.96 1.66 0.92 1.26 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 49 A 7.84 3.97 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 50 A 8.22 3.93 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 51 L 8.35 3.90 0.00 1.92 1.81 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.25 3.97 0.00 2.09 1.96 0.00 3.29 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 53 A 7.91 4.00 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 54 A 8.19 4.02 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 55 L 7.59 3.94 0.00 1.98 1.71 0.92 1.28 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 56 I 7.94 3.67 1.86 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 1.41 0.84 0.93 0.00 0.00 57 E 8.36 3.99 0.00 2.03 2.16 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 2.28 2.32 0.00 58 G 7.78 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.98 4.14 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 60 E 7.75 4.60 0.00 1.92 1.93 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 2.27 2.40 0.00 61 S 7.73 4.34 0.00 3.87 3.99 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 0.00 0.00 0.00 62 G 8.39 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 0.00 0.00 0.00 63 F 8.10 4.77 0.00 2.98 2.89 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 64 I 8.37 4.33 1.90 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 1.43 0.47 1.10 0.00 0.00 65 E 8.79 4.59 0.00 1.97 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 2.25 2.35 0.00 66 D 7.81 4.92 0.00 2.75 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 67 F 8.70 4.02 0.00 2.93 3.10 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 0.00 0.00 0.00 0.00 68 D 7.85 4.57 0.00 2.63 2.35 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 69 F 8.40 3.39 0.00 3.21 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 70 D 8.45 4.47 0.00 2.89 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 71 A 8.10 3.97 1.28 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 0.00 0.00 0.00 72 F 8.25 3.99 0.00 2.79 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 73 I 8.06 3.59 2.14 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.34 0.96 0.00 0.00 74 E 8.25 4.04 0.00 2.17 1.96 0.00 0.00 0.00 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 2.35 0.00 75 E 7.98 3.85 0.00 2.00 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 2.26 2.33 0.00 76 R 7.42 4.10 0.00 1.47 1.74 0.00 3.18 0.00 0.00 3.12 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.84 0.00 77 S 7.96 4.56 0.00 3.87 3.80 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 78 R 8.36 4.09 0.00 1.91 1.96 0.00 3.20 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00