NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.9927 8.3249 119.4868 57.5322 39.9158 173.5896 2 E 4.5023 8.7587 123.5529 54.4798 32.7614 173.7941 3 N 4.6040 8.6708 121.8246 53.4560 39.6471 174.1313 4 R 4.7040 8.3523 122.6823 55.9091 30.2067 178.4420 5 V 3.8146 8.1369 114.6247 64.7890 31.4440 178.0863 6 A 4.3602 7.9038 121.8819 54.5611 18.1505 179.3341 7 E 3.9406 8.1415 116.6496 59.4782 29.5739 179.4673 8 K 4.0863 7.7367 117.1039 59.7025 31.6330 179.2238 9 Q 4.1114 8.5825 118.6886 58.9048 28.2352 179.1279 10 K 3.9306 7.8751 119.8940 59.5012 32.1241 178.4150 11 L 3.7769 7.8481 119.4109 58.3339 41.9888 178.6305 12 F 4.2257 8.3125 116.0037 59.2822 39.1589 176.9935 13 Q 4.5174 7.9588 115.7804 54.8764 28.9944 175.2341 14 E 3.8837 7.3004 121.4530 56.4730 30.0897 177.7603 15 D 4.7425 8.5665 129.0886 54.7059 38.3157 175.8214 16 N 4.6783 7.9395 113.3066 51.8526 38.1230 176.4125 17 G 3.9218 8.0550 104.4924 46.5414 0.0000 173.5929 18 L 4.4882 7.7175 118.9849 52.2645 43.0241 175.1383 19 P 4.5007 0.0000 0.0000 62.0732 32.5565 177.4320 20 V 3.6436 8.5921 119.7069 65.3735 30.9760 177.5093 21 H 4.5947 8.1609 112.9582 56.5341 28.8195 175.3149 22 L 4.6594 7.9992 119.1524 54.2642 43.5340 178.2412 23 K 3.9690 7.7123 118.3858 58.7814 32.1745 177.9490 24 G 3.7576 8.2213 106.9555 46.8348 0.0000 174.4135 25 G 3.6472 6.5725 107.1409 45.3535 0.0000 173.8326 26 A 4.3465 8.3338 121.6042 54.0730 19.1747 179.5379 27 T 3.9453 7.8636 108.1982 64.6418 69.0129 176.4880 28 D 4.4191 8.1361 121.5993 57.2606 40.7867 178.0527 29 N 4.4465 8.1510 117.1706 56.6717 39.0971 176.7954 30 I 3.7161 7.5354 114.5871 64.0209 37.6027 177.9210 31 L 3.9770 8.3244 121.5424 57.6175 41.4214 178.8490 32 Y 4.2636 8.4836 119.5663 61.1026 38.7886 178.5941 33 R 3.4822 8.2769 119.0256 58.7709 29.9894 179.3479 34 V 3.5097 8.1631 118.7271 66.1882 31.5783 178.0696 35 T 3.8203 8.1489 115.7879 67.1481 68.3912 176.3828 36 M 3.9800 8.0209 120.5705 58.7555 31.8130 179.2271 37 T 3.8449 7.7559 115.7153 66.5889 68.7018 176.8712 38 L 3.9936 8.0640 121.0524 57.9380 41.6171 179.4317 39 C 4.1504 8.1701 116.5955 62.8399 28.0882 176.2630 40 L 4.1119 8.1096 120.6746 57.5795 41.1647 179.7750 41 G 3.6665 8.5077 106.1979 47.9247 0.0000 175.9408 42 G 3.8162 8.6044 109.2802 47.8283 0.0000 175.8540 43 T 3.9689 8.1898 117.8792 66.2571 68.4601 176.9916 44 L 4.0803 7.9653 121.2513 57.7646 41.6974 178.6884 45 Y 4.4317 8.4995 119.9797 60.8599 38.7657 177.9517 46 S 3.9096 8.4027 114.2767 61.5928 62.3840 176.2180 47 L 4.0399 8.0015 121.4413 57.8117 41.2311 178.8894 48 Y 4.2357 8.0705 119.3239 61.0600 38.7410 177.7976 49 C 3.7099 7.9684 117.5346 62.7276 28.2814 175.9218 50 L 4.0413 7.9946 121.8132 58.2472 41.4491 179.3034 51 G 3.7732 8.0497 104.5901 47.4242 0.0000 175.3300 52 W 4.1422 8.2770 130.5919 60.4044 30.6238 178.1266 53 A 3.9969 8.4696 120.0384 54.9025 17.8982 179.1349 54 S 4.0461 7.9313 110.9369 59.1307 63.4968 174.1303 55 F 4.4386 7.2584 121.8502 54.3402 40.8061 173.4686 56 P 3.9717 0.0000 0.0000 63.6243 30.8974 175.5336 57 H 4.5553 8.4475 121.1780 53.8964 29.6922 174.5993 58 K 4.2041 8.4897 123.0995 56.3932 32.2135 176.5754 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 F 8.32 4.99 0.00 2.93 2.96 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 0.00 0.00 0.00 2 E 8.76 4.50 0.00 2.01 1.84 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 2.21 2.46 0.00 3 N 8.67 4.60 0.00 2.71 2.78 0.00 0.00 6.86 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 4 R 8.35 4.70 0.00 1.99 2.10 0.00 3.26 0.00 0.00 3.52 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 5 V 8.14 3.81 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 0.80 0.00 0.00 0.95 0.00 0.00 6 A 7.90 4.36 1.33 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 0.00 0.00 7 E 8.14 3.94 0.00 2.20 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 2.41 2.42 0.00 8 K 7.74 4.09 0.00 2.15 2.02 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.79 7.81 9 Q 8.58 4.11 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.71 0.00 10 K 7.88 3.93 0.00 2.02 2.01 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.47 7.81 11 L 7.85 3.78 0.00 1.49 1.64 0.70 0.75 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 12 F 8.31 4.23 0.00 3.21 3.16 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 0.00 0.00 0.00 13 Q 7.96 4.52 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 14 E 7.30 3.88 0.00 2.12 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 2.29 2.26 0.00 15 D 8.57 4.74 0.00 2.70 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 16 N 7.94 4.68 0.00 2.76 2.85 0.00 0.00 6.31 7.00 0.00 0.00 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 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 18 L 7.72 4.49 0.00 1.80 1.55 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.50 0.00 2.19 2.15 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 20 V 8.59 3.64 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 0.84 0.00 0.00 0.93 0.00 0.00 21 H 8.16 4.59 0.00 3.25 3.42 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.00 4.66 0.00 1.52 1.59 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.71 3.97 0.00 2.07 2.09 0.00 1.99 0.00 0.00 1.98 0.00 0.00 3.07 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.34 1.36 7.81 24 G 8.22 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 25 G 6.57 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 26 A 8.33 4.35 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 27 T 7.86 3.95 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 1.23 0.00 0.00 28 D 8.14 4.42 0.00 2.96 3.02 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 0.00 0.00 0.00 29 N 8.15 4.45 0.00 2.80 2.95 0.00 0.00 6.93 7.72 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 30 I 7.54 3.72 1.89 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 1.54 1.10 0.98 0.00 0.00 31 L 8.32 3.98 0.00 2.02 1.85 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.48 4.26 0.00 3.10 3.30 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 33 R 8.28 3.48 0.00 1.95 1.86 0.00 3.39 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.92 0.00 34 V 8.16 3.51 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.94 0.00 0.00 35 T 8.15 3.82 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 1.23 0.00 0.00 36 M 8.02 3.98 0.00 1.81 1.70 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.41 0.00 37 T 7.76 3.84 4.37 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 1.18 0.00 0.00 38 L 8.06 3.99 0.00 1.80 1.72 0.92 1.01 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 C 8.17 4.15 0.00 3.11 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 40 L 8.11 4.11 0.00 1.69 1.71 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.51 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.19 3.97 4.41 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 1.24 0.00 0.00 44 L 7.97 4.08 0.00 1.95 1.77 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.50 4.43 0.00 2.99 3.18 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 0.00 0.00 0.00 0.00 46 S 8.40 3.91 0.00 3.91 4.02 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 0.00 0.00 0.00 47 L 8.00 4.04 0.00 2.12 1.80 0.95 0.84 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 48 Y 8.07 4.24 0.00 3.17 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 49 C 7.97 3.71 0.00 2.97 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 50 L 7.99 4.04 0.00 1.68 1.89 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.05 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.28 4.14 0.00 2.83 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 53 A 8.47 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.93 4.05 0.00 3.71 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 55 F 7.26 4.44 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 56 P 0.00 3.97 0.00 2.09 2.02 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 57 H 8.45 4.56 0.00 2.45 2.92 0.00 5.86 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.49 4.20 0.00 1.69 1.69 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.45 7.81