NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3122 8.4449 118.7954 56.1319 31.9281 176.9480 4 R 3.9287 7.8244 117.9281 54.5323 32.1441 174.7952 5 P 4.1963 0.0000 0.0000 66.1765 31.6990 178.7241 6 L 3.8861 7.8268 116.8410 57.6396 41.5124 179.0300 7 D 4.3277 7.9230 118.3711 57.5422 40.6457 178.8630 8 V 3.5445 7.6381 117.1346 66.0107 31.7662 177.8781 9 I 3.6809 7.5037 119.2078 64.5651 37.0527 177.7748 10 H 4.0666 8.0914 119.3353 59.3319 29.4602 177.1245 11 R 4.0002 8.0385 118.9630 58.4495 30.1733 177.5001 12 S 4.5423 7.7467 113.6051 57.3055 63.2753 173.7933 13 L 4.2712 7.0912 122.5422 56.4313 41.7923 176.5320 14 D 4.4878 9.7379 121.9005 54.8099 40.3365 172.9167 15 K 4.7882 7.7429 115.7485 53.7494 36.5799 174.8506 16 D 5.0310 8.4904 121.1072 54.6096 42.6500 175.3655 17 V 4.9575 8.9438 117.3904 59.7755 36.9660 173.5395 18 L 4.9797 8.9185 124.9185 53.4155 44.4875 175.2604 19 V 4.5718 9.3058 127.5435 61.3621 33.2927 174.1531 20 I 4.3657 8.7777 130.6970 60.5272 37.7277 175.7287 21 L 4.8847 8.5681 127.2750 52.5185 43.9533 177.5055 22 K 4.2422 7.7361 122.0668 54.9061 31.3893 178.5699 23 K 5.0984 10.1652 129.6763 58.9088 33.7973 174.7892 24 G 3.9768 7.4136 120.9146 46.6694 0.0000 170.6015 25 F 5.4580 7.9078 123.3857 56.0871 42.8971 173.1531 26 E 4.7386 8.7565 122.7781 55.2747 33.6654 173.5483 27 F 5.3932 8.9344 118.0019 55.7263 42.7362 174.7441 28 R 5.0233 9.2187 121.5402 54.2930 33.8845 174.5647 29 G 4.3394 7.9709 111.0130 46.2722 0.0000 171.0509 30 R 4.7005 7.8785 120.8722 55.5188 31.2339 175.4357 31 L 4.6969 9.0835 130.2594 55.0972 42.7033 176.7155 32 I 4.3708 8.2821 119.1983 60.2716 39.0000 175.1884 33 G 4.1184 7.6800 109.0513 46.6074 0.0000 171.5332 34 Y 5.2550 7.5608 117.2117 56.6719 40.6330 172.1576 35 D 4.8796 8.5789 118.7552 51.0595 42.6707 176.3352 36 I 3.7280 8.2566 118.3326 64.1184 37.8512 175.9776 37 H 4.5200 8.0862 115.3127 55.9140 28.6846 175.4554 38 L 3.8094 8.1118 118.4939 55.5381 39.5417 174.0633 39 N 4.8904 8.2122 116.0127 53.3677 39.8912 174.6226 40 V 5.0182 8.7480 114.9691 59.5767 36.8068 174.5058 41 V 4.7803 8.5847 121.4092 61.2152 34.1451 174.2672 42 L 5.3599 8.9880 127.4584 52.9074 45.0845 175.2589 43 A 4.9490 8.8742 123.8344 50.4707 21.9348 176.0456 44 D 4.2956 8.5507 118.9105 55.3450 39.0853 172.9576 45 A 5.1245 8.2068 121.5404 50.9420 22.3620 177.3810 46 E 5.2622 9.1430 116.0958 55.2328 33.5232 174.0415 47 M 4.7631 9.4500 123.0784 54.7509 34.1335 174.6650 48 I 5.0399 8.8953 127.1333 59.5088 40.9531 174.2150 49 Q 4.5908 8.7600 127.5454 54.7928 32.0738 174.7216 50 D 4.4028 9.0073 125.2317 55.2658 40.1637 174.4757 51 G 3.9084 8.4398 102.9914 44.9957 0.0000 173.3191 52 E 4.5329 7.8486 121.1718 53.6424 31.3565 175.1848 53 V 4.0594 8.4054 126.0283 63.4187 31.6909 175.6162 54 V 4.3296 8.3791 120.6860 61.5788 33.0388 175.8129 55 K 4.3761 7.5116 119.5180 55.5413 35.2811 173.9561 56 R 5.0998 8.0992 122.7140 54.6888 34.0124 174.4288 57 Y 4.7426 9.1497 118.4850 56.4298 42.2952 176.7267 58 G 3.6815 9.0231 110.4517 49.0263 0.0000 173.3690 59 K 5.2037 7.8529 119.5154 54.9164 35.5294 175.3220 60 I 4.4122 8.7864 126.3255 59.5270 41.9051 173.3433 61 V 4.5689 8.2024 128.9108 61.4801 32.8463 174.5773 62 I 4.3375 8.4493 129.4422 59.3184 39.9779 175.4128 63 R 4.5780 8.5429 126.3891 55.5140 30.6963 177.7866 64 G 3.7595 9.4435 113.3687 48.5337 0.0000 174.8783 65 D 4.2720 8.2053 118.2926 56.7274 40.9724 176.4142 66 N 4.8287 8.1346 114.2873 52.7485 39.0001 174.1338 67 V 4.3452 7.7057 119.5924 62.0185 32.6387 175.3955 68 L 4.3614 9.0916 130.0723 57.4510 42.5570 176.1598 69 A 4.6959 7.5511 117.7034 51.1064 22.8734 174.6685 70 I 5.0254 8.1792 119.0004 59.6505 40.9151 175.0792 71 S 4.7379 9.0530 121.7234 55.4561 65.1290 171.3067 72 P 4.6403 0.0000 0.0000 63.0184 32.0247 176.4705 73 T 4.1834 8.6149 119.1040 63.9150 68.0251 174.4840 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 E 8.44 4.31 0.00 2.08 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 2.17 2.33 0.00 4 R 7.82 3.93 0.00 2.02 1.88 0.00 3.15 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 5 P 0.00 4.20 0.00 2.12 2.10 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 6 L 7.83 3.89 0.00 1.66 1.69 0.94 1.10 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 7 D 7.92 4.33 0.00 3.00 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 8 V 7.64 3.54 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 0.79 0.00 0.00 0.90 0.00 0.00 9 I 7.50 3.68 1.48 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 0.31 0.00 0.00 10 H 8.09 4.07 0.00 3.29 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.04 4.00 0.00 2.04 2.08 0.00 3.29 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 12 S 7.75 4.54 0.00 3.97 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 13 L 7.09 4.27 0.00 1.72 1.63 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.74 4.49 0.00 2.68 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 15 K 7.74 4.79 0.00 1.88 1.64 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.49 7.81 16 D 8.49 5.03 0.00 2.73 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.94 4.96 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 0.83 0.00 0.00 0.98 0.00 0.00 18 L 8.92 4.98 0.00 1.72 1.61 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.31 4.57 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 20 I 8.78 4.37 1.95 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 1.21 0.37 0.91 0.00 0.00 21 L 8.57 4.88 0.00 1.82 1.75 1.10 0.72 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 22 K 7.74 4.24 0.00 1.62 1.89 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.65 7.81 23 K 10.17 5.10 0.00 1.92 1.89 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.26 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 1.23 7.81 24 G 7.41 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 0.00 0.00 0.00 25 F 7.91 5.46 0.00 3.03 2.86 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 26 E 8.76 4.74 0.00 2.00 1.87 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 2.08 2.22 0.00 27 F 8.93 5.39 0.00 2.92 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 R 9.22 5.02 0.00 1.87 1.74 0.00 3.44 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 29 G 7.97 4.34 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 0.00 30 R 7.88 4.70 0.00 1.94 1.95 0.00 3.25 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 31 L 9.08 4.70 0.00 1.80 1.73 1.07 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.28 4.37 1.87 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 1.28 0.84 0.96 0.00 0.00 33 G 7.68 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.56 5.25 0.00 3.01 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 35 D 8.58 4.88 0.00 2.86 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 36 I 8.26 3.73 1.84 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 1.39 0.67 0.69 0.00 0.00 37 H 8.09 4.52 0.00 3.39 3.32 0.00 5.80 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.11 3.81 0.00 1.83 1.83 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.21 4.89 0.00 2.96 2.73 0.00 0.00 6.78 7.68 0.00 0.00 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 V 8.75 5.02 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 0.82 0.00 0.00 0.90 0.00 0.00 41 V 8.58 4.78 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 0.94 0.00 0.00 0.90 0.00 0.00 42 L 8.99 5.36 0.00 1.51 1.49 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.87 4.95 1.22 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 0.00 0.00 0.00 44 D 8.55 4.30 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 45 A 8.21 5.12 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 46 E 9.14 5.26 0.00 2.14 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 2.43 2.30 0.00 47 M 9.45 4.76 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.57 0.00 48 I 8.90 5.04 1.80 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 1.11 0.61 0.90 0.00 0.00 49 Q 8.76 4.59 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.15 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 50 D 9.01 4.40 0.00 2.89 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 51 G 8.44 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 52 E 7.85 4.53 0.00 2.00 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 2.21 2.21 0.00 53 V 8.41 4.06 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 0.86 0.00 0.00 0.94 0.00 0.00 54 V 8.38 4.33 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 0.77 0.00 0.00 1.05 0.00 0.00 55 K 7.51 4.38 0.00 1.80 1.59 0.00 1.30 0.00 0.00 1.69 0.00 0.00 2.46 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.14 0.37 7.81 56 R 8.10 5.10 0.00 1.56 1.70 0.00 3.19 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 57 Y 9.15 4.74 0.00 2.85 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 58 G 9.02 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.85 5.20 0.00 1.73 1.63 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.42 7.81 60 I 8.79 4.41 1.42 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.94 0.50 0.00 0.00 61 V 8.20 4.57 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 0.85 0.00 0.00 0.87 0.00 0.00 62 I 8.45 4.34 1.72 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.07 0.86 0.00 0.00 63 R 8.54 4.58 0.00 1.88 1.86 0.00 3.13 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 64 G 9.44 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.21 4.27 0.00 2.63 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 66 N 8.13 4.83 0.00 2.89 2.87 0.00 0.00 6.45 7.10 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 67 V 7.71 4.35 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 0.80 0.00 0.00 1.01 0.00 0.00 68 L 9.09 4.36 0.00 1.65 1.86 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.55 4.70 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 70 I 8.18 5.03 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.93 0.00 0.00 71 S 9.05 4.74 0.00 3.83 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.64 0.00 2.10 2.02 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 73 T 8.61 4.18 4.38 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 1.21 0.00 0.00