NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4535 8.3193 115.4268 57.8899 63.9929 175.3979 2 S 4.1947 8.4894 114.5359 57.3323 64.7872 173.2225 3 N 4.3734 9.1352 122.4827 56.7315 38.9135 178.7551 4 A 4.0915 8.0032 121.4567 55.0690 18.5686 179.7101 5 K 3.9816 8.0416 116.5605 59.5249 32.2763 179.2451 6 F 4.0280 8.6156 121.1723 61.4481 39.4166 176.7754 7 D 4.4815 8.8490 118.9351 57.4496 40.5364 178.6435 8 Q 3.9471 8.0449 119.6715 59.1883 29.1092 178.2083 9 F 4.1113 8.0536 121.5840 61.2936 39.3810 176.8972 10 S 3.5431 8.0467 113.0855 61.1426 62.0626 176.1284 11 S 4.0042 7.9986 115.6733 61.5412 62.1963 175.8285 12 D 4.3259 8.0504 121.6959 57.2621 40.4989 178.6483 13 F 3.8592 8.1730 121.3689 61.3781 39.3905 177.2230 14 Q 3.9774 8.1910 117.6842 59.1748 28.4120 179.0402 15 T 3.8080 7.9821 116.8544 66.4649 68.3951 176.4173 16 F 4.0620 8.1147 122.5603 61.2608 39.4917 176.5933 17 N 3.6315 7.9758 116.7581 56.3404 38.7653 176.6883 18 A 3.9112 7.8985 122.0729 55.1665 18.4514 179.7634 19 K 3.8862 8.0232 117.0329 59.4862 31.9514 179.3687 20 F 3.8076 8.0793 121.3559 61.1418 39.2480 176.8440 21 D 4.3069 7.9826 118.3013 57.5940 40.5302 178.9167 22 Q 3.9652 7.8557 118.1477 58.6441 28.6445 178.5180 23 F 4.0692 8.2322 121.9585 61.3009 39.4362 177.0092 24 S 3.5647 7.6515 112.9258 61.3312 62.0543 176.0116 25 N 4.2842 8.0509 119.0387 56.2949 38.2045 177.0975 26 D 4.3293 8.2317 120.6763 57.3450 40.8551 178.6973 27 F 4.0009 8.1719 121.4739 61.3356 39.3527 176.9844 28 N 4.2454 8.3376 115.9398 56.0255 38.2579 177.3369 29 A 3.9069 8.0303 122.3709 54.9590 18.4281 179.2782 30 F 4.0653 8.2853 119.3803 61.6418 39.3196 177.4621 31 R 3.3507 7.7130 117.8168 59.2266 29.7138 179.2835 32 S 4.1754 7.8307 114.8171 61.6555 62.8235 176.4609 33 D 4.2855 7.9402 121.6419 57.1373 40.5107 178.6628 34 F 3.9308 8.0426 121.5244 61.3177 39.3301 177.0826 35 Q 3.8548 8.2500 117.7147 58.8731 28.4862 178.7479 36 A 3.8924 8.0340 121.7237 55.1933 18.4172 179.4850 37 F 3.9919 8.0020 118.9408 61.2435 39.4204 177.1420 38 K 3.2477 7.7505 119.5719 59.4971 31.8721 178.4743 39 D 4.2763 8.0870 119.1571 57.1180 40.7378 178.4746 40 D 4.2790 8.0193 119.6273 57.1832 40.7556 178.5056 41 F 3.8661 8.1759 121.2636 61.2035 39.3651 176.9179 42 A 3.9977 8.0925 120.4912 55.1233 18.0944 179.6713 43 R 3.7259 8.0510 117.1747 59.4117 30.1772 178.3598 44 F 4.0697 8.0397 120.4521 61.3818 39.2355 176.5209 45 N 3.6212 7.8721 116.8337 56.5584 38.6928 176.5778 46 Q 3.8759 7.8938 120.8918 59.1544 29.1075 178.4369 47 R 3.8876 7.9635 119.2434 58.9753 29.9994 178.7186 48 F 3.9134 8.0710 120.9283 61.2365 39.2844 176.6096 49 D 4.1559 8.2898 117.9638 57.2296 40.8797 177.7514 50 N 4.2378 8.1892 117.4984 56.5525 38.8661 176.5319 51 F 4.0437 8.2038 121.7276 61.4585 39.3152 177.0674 52 A 3.7208 7.7867 119.0649 54.5470 18.0840 178.9567 53 T 4.1330 7.6501 113.0884 65.3566 69.4905 176.3447 54 K 4.0688 8.0570 118.3308 57.4084 32.6447 177.0170 55 Y 4.3835 7.3884 113.6374 57.4182 39.4779 175.9061 56 R 4.0594 7.4121 123.6505 56.2699 31.2329 174.7857 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 S 8.32 4.45 0.00 4.02 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 2 S 8.49 4.19 0.00 4.18 4.06 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 3 N 9.14 4.37 0.00 2.79 2.98 0.00 0.00 6.75 7.30 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 4 A 8.00 4.09 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 5 K 8.04 3.98 0.00 2.03 1.94 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.53 7.81 6 F 8.62 4.03 0.00 3.34 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 4.48 0.00 2.96 2.76 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 8 Q 8.04 3.95 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 9 F 8.05 4.11 0.00 3.11 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 10 S 8.05 3.54 0.00 3.54 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 11 S 8.00 4.00 0.00 3.97 3.96 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 12 D 8.05 4.33 0.00 2.83 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 13 F 8.17 3.86 0.00 2.40 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 14 Q 8.19 3.98 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 15 T 7.98 3.81 4.36 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 1.20 0.00 0.00 16 F 8.11 4.06 0.00 3.06 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 17 N 7.98 3.63 0.00 2.43 2.71 0.00 0.00 7.14 8.45 0.00 0.00 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 A 7.90 3.91 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 19 K 8.02 3.89 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.60 7.81 20 F 8.08 3.81 0.00 2.45 2.90 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 21 D 7.98 4.31 0.00 2.92 2.67 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 22 Q 7.86 3.97 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 23 F 8.23 4.07 0.00 3.01 2.82 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 24 S 7.65 3.56 0.00 3.51 3.81 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 0.00 0.00 0.00 25 N 8.05 4.28 0.00 2.97 2.79 0.00 0.00 7.01 7.40 0.00 0.00 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 D 8.23 4.33 0.00 2.76 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 27 F 8.17 4.00 0.00 2.42 2.84 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 0.00 0.00 0.00 28 N 8.34 4.25 0.00 2.87 2.81 0.00 0.00 6.93 7.44 0.00 0.00 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 A 8.03 3.91 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 30 F 8.29 4.07 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 3.35 0.00 1.81 1.79 0.00 3.36 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.09 0.00 32 S 7.83 4.18 0.00 3.97 3.84 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 0.00 0.00 0.00 33 D 7.94 4.29 0.00 2.79 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 34 F 8.04 3.93 0.00 2.40 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 35 Q 8.25 3.85 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 36 A 8.03 3.89 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 37 F 8.00 3.99 0.00 3.12 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 38 K 7.75 3.25 0.00 1.19 1.62 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.38 7.81 39 D 8.09 4.28 0.00 2.63 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 40 D 8.02 4.28 0.00 2.74 2.68 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 41 F 8.18 3.87 0.00 2.51 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 42 A 8.09 4.00 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 43 R 8.05 3.73 0.00 1.85 2.15 0.00 3.10 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 44 F 8.04 4.07 0.00 3.01 2.84 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 0.00 0.00 0.00 45 N 7.87 3.62 0.00 2.46 2.73 0.00 0.00 6.92 6.69 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 46 Q 7.89 3.88 0.00 2.11 2.16 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 2.31 2.36 0.00 47 R 7.96 3.89 0.00 1.96 1.92 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 48 F 8.07 3.91 0.00 2.38 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 49 D 8.29 4.16 0.00 2.87 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 50 N 8.19 4.24 0.00 2.81 2.97 0.00 0.00 6.85 7.26 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 51 F 8.20 4.04 0.00 3.00 2.95 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 52 A 7.79 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.65 4.13 4.22 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 1.14 0.00 0.00 54 K 8.06 4.07 0.00 1.85 1.55 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.49 7.81 55 Y 7.39 4.38 0.00 2.66 2.67 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 56 R 7.41 4.06 0.00 1.65 1.61 0.00 3.30 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.11 0.00