NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0835 8.2516 120.4286 55.4413 33.0577 174.5764 2 Q 4.0764 8.5001 127.7495 55.0930 30.6277 172.6647 3 S 5.2313 8.7490 118.7992 56.5180 65.4049 172.4631 4 I 4.7811 8.9574 126.4902 58.9681 41.2890 174.7522 5 N 5.6182 8.7022 125.3928 51.6680 38.6105 175.5684 6 F 4.1478 8.9374 120.6483 61.9379 39.2986 177.5766 7 R 3.8011 8.1233 116.7932 59.5477 29.7720 179.0358 8 T 3.9192 7.8760 114.5662 65.8947 68.2688 176.3169 9 A 4.1117 7.2149 122.2465 54.4421 18.9274 179.1256 10 R 3.9153 7.6594 116.6048 58.7519 30.2075 178.2642 11 G 3.8200 7.8961 104.0991 45.8343 0.0000 173.3953 12 N 5.0798 7.8738 119.3958 51.6323 40.1133 176.4036 13 L 3.9191 8.0280 121.8616 58.3175 42.7430 177.2197 14 S 4.1316 8.1197 114.9549 61.7051 62.9554 176.1075 15 E 4.2222 8.0325 118.1665 57.8396 29.7085 178.9128 16 V 3.5260 7.2858 119.8472 66.2567 31.6780 177.8709 17 L 3.9980 7.9407 118.6273 57.6182 41.2724 179.3965 18 N 4.2840 7.9395 116.1258 56.4627 38.5962 176.9158 19 N 4.2652 7.9647 117.4284 56.5222 38.6708 177.5979 20 V 4.0112 8.0631 121.0623 65.5826 31.4175 177.7474 21 E 3.9827 8.3514 118.0452 58.8853 29.5327 177.7486 22 A 4.3465 7.8190 118.3590 52.3070 18.5610 177.7847 23 G 3.9841 7.8661 106.2326 45.0156 0.0000 173.5452 24 E 4.4896 8.3239 120.9364 55.1200 31.9937 174.6515 25 E 4.9204 8.6501 123.9268 54.6570 32.1717 174.8599 26 V 4.7936 8.3621 124.5914 60.9439 34.4313 174.0233 27 E 4.7405 8.8959 129.6128 55.7836 31.3033 175.0045 28 I 5.1841 8.7392 127.4161 59.8585 40.0303 174.6585 29 T 4.8268 8.8654 118.0491 60.3567 71.4620 174.0181 30 R 4.9019 8.2257 121.4364 54.1168 34.0414 174.8840 31 R 3.9140 8.8593 122.9719 58.1574 30.3078 176.6300 32 G 3.8932 9.1827 110.4342 45.9298 0.0000 172.4895 33 R 4.7055 7.8829 116.9190 53.7587 34.2747 174.6742 34 E 4.2345 8.5217 119.1510 55.3140 30.1481 175.4849 35 P 4.7080 0.0000 0.0000 63.0545 32.4365 175.1163 36 A 4.8700 8.8449 122.9777 50.2985 22.6250 175.2405 37 V 4.8115 8.1065 117.3576 61.3514 35.1061 174.1008 38 I 4.6142 8.7752 127.8908 59.2458 40.0017 174.6167 39 V 4.9342 8.1337 127.4881 59.7886 34.8468 174.7393 40 S 4.2255 8.6163 115.9809 58.1493 63.7616 175.2496 41 K 3.9377 8.8085 123.3571 59.6412 32.0765 178.7621 42 A 3.9718 8.0492 120.5244 55.7155 18.2699 179.6352 43 T 3.5191 7.5784 113.8444 66.4412 68.4280 176.6388 44 F 3.9764 8.1216 122.4553 61.4554 39.4037 176.8047 45 E 3.8475 8.8508 118.1568 59.6093 29.1563 179.4459 46 A 4.0023 7.8491 120.2432 55.1586 18.3501 179.4153 47 Y 4.2371 7.8868 115.5028 61.0942 37.9071 178.2251 48 K 3.7431 8.0798 121.0395 59.1793 32.1341 178.6146 49 K 3.8226 8.1741 119.8273 59.6371 32.1070 178.6434 50 A 3.9761 7.8608 120.8522 54.9465 18.1651 179.5111 51 A 3.9515 8.1881 119.5384 55.2903 18.3643 179.9321 52 L 3.9894 8.2978 117.9216 57.9675 41.7272 179.2850 53 D 4.4189 8.5076 119.0468 57.3351 40.7233 178.9135 54 A 4.0294 8.1349 121.1467 55.1268 18.2320 179.3951 55 E 3.9084 8.2445 116.1297 59.5925 29.8659 178.9007 56 F 4.2358 8.6146 120.6154 61.4904 39.4032 176.8850 57 A 4.1595 8.3336 120.3769 55.3865 18.3238 179.6981 58 S 4.3504 8.2049 113.8846 61.0102 62.6234 176.7308 59 L 3.7870 7.3276 121.2917 56.6862 41.2113 177.7824 60 F 4.4500 7.6159 115.1905 57.0267 39.0777 175.0243 61 D 4.7283 7.7738 122.7326 52.5631 40.7633 176.7034 62 T 4.1003 8.1512 114.8435 60.7915 70.1000 175.2702 63 L 4.1051 8.2909 120.5320 57.2130 41.1296 179.5499 64 D 4.4362 7.4337 117.4982 57.4412 41.0189 178.3208 65 S 4.4858 7.5495 111.7866 59.4384 64.2383 174.9716 66 T 4.6663 7.0482 110.3533 58.2466 68.4694 173.6482 67 N 4.3067 7.8731 124.7010 54.3548 36.6535 175.3599 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 8.25 5.08 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.41 0.00 2 Q 8.50 4.08 0.00 2.37 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 3 S 8.75 5.23 0.00 3.90 3.71 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 4 I 8.96 4.78 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 1.28 1.55 0.94 0.00 0.00 5 N 8.70 5.62 0.00 3.01 2.98 0.00 0.00 6.35 8.12 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 6 F 8.94 4.15 0.00 3.31 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 R 8.12 3.80 0.00 1.88 1.98 0.00 3.46 0.00 0.00 3.51 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 8 T 7.88 3.92 4.35 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 1.25 0.00 0.00 9 A 7.21 4.11 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 10 R 7.66 3.92 0.00 1.40 1.64 0.00 3.37 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 11 G 7.90 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 12 N 7.87 5.08 0.00 2.80 2.70 0.00 0.00 6.47 6.63 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 13 L 8.03 3.92 0.00 1.89 1.60 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.12 4.13 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 4.22 0.00 2.18 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 0.00 2.40 2.39 0.00 16 V 7.29 3.53 2.21 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 1.09 0.00 0.00 0.97 0.00 0.00 17 L 7.94 4.00 0.00 1.89 1.69 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.94 4.28 0.00 2.91 2.85 0.00 0.00 6.91 6.22 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 19 N 7.96 4.27 0.00 3.01 3.15 0.00 0.00 6.76 7.04 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 20 V 8.06 4.01 2.28 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 1.30 0.00 0.00 1.00 0.00 0.00 21 E 8.35 3.98 0.00 2.08 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 2.31 2.32 0.00 22 A 7.82 4.35 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 23 G 7.87 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 24 E 8.32 4.49 0.00 2.08 1.88 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 2.27 2.29 0.00 25 E 8.65 4.92 0.00 1.99 1.89 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 2.35 2.32 0.00 26 V 8.36 4.79 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 1.04 0.00 0.00 0.93 0.00 0.00 27 E 8.90 4.74 0.00 2.14 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 2.31 2.40 0.00 28 I 8.74 5.18 1.92 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 1.29 0.58 1.01 0.00 0.00 29 T 8.87 4.83 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 1.26 0.00 0.00 30 R 8.23 4.90 0.00 1.68 1.70 0.00 2.62 0.00 0.00 2.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 31 R 8.86 3.91 0.00 1.77 1.91 0.00 3.44 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 32 G 9.18 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 33 R 7.88 4.71 0.00 1.82 1.76 0.00 3.29 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 34 E 8.52 4.23 0.00 1.96 1.89 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 2.31 2.24 0.00 35 P 0.00 4.71 0.00 2.13 2.12 0.00 3.73 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 2.00 1.99 0.00 36 A 8.84 4.87 1.26 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 0.00 0.00 37 V 8.11 4.81 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 0.86 0.00 0.00 0.97 0.00 0.00 38 I 8.78 4.61 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 1.26 1.26 0.99 0.00 0.00 39 V 8.13 4.93 2.12 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 0.84 0.00 0.00 0.91 0.00 0.00 40 S 8.62 4.23 0.00 4.00 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 41 K 8.81 3.94 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.57 7.81 42 A 8.05 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 3.52 4.19 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 0.00 0.00 0.00 0.44 0.00 0.00 44 F 8.12 3.98 0.00 3.11 3.23 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 45 E 8.85 3.85 0.00 2.10 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 2.65 2.53 0.00 46 A 7.85 4.00 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 47 Y 7.89 4.24 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.08 3.74 0.00 1.05 1.60 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.31 7.81 49 K 8.17 3.82 0.00 1.91 1.93 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.44 7.81 50 A 7.86 3.98 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 51 A 8.19 3.95 1.37 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 0.00 0.00 0.00 52 L 8.30 3.99 0.00 1.89 1.74 0.92 1.18 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 53 D 8.51 4.42 0.00 2.85 2.77 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 54 A 8.13 4.03 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 55 E 8.24 3.91 0.00 2.15 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 2.37 2.64 0.00 56 F 8.61 4.24 0.00 3.26 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 57 A 8.33 4.16 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.20 4.35 0.00 4.04 4.24 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 0.00 0.00 0.00 0.00 59 L 7.33 3.79 0.00 1.11 0.87 0.83 1.01 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 60 F 7.62 4.45 0.00 2.97 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 61 D 7.77 4.73 0.00 2.85 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 4.10 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 63 L 8.29 4.11 0.00 1.73 1.75 0.90 0.99 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 64 D 7.43 4.44 0.00 2.67 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 65 S 7.55 4.49 0.00 3.87 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 66 T 7.05 4.67 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 67 N 7.87 4.31 0.00 2.78 2.93 0.00 0.00 6.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00