NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.7043 8.2076 120.2146 54.5399 43.5920 177.0174 3 Y 4.0512 8.7819 119.0077 59.6596 38.5866 176.9375 4 L 3.6881 8.1131 121.6837 57.2692 42.1368 180.5334 5 R 3.9316 7.7412 117.7795 59.0757 30.1009 178.4830 6 E 3.9840 8.4588 119.3236 59.2381 29.6765 178.8449 7 L 4.0198 7.9998 119.1351 57.7837 41.6231 178.8129 8 Y 4.0470 8.1808 119.5279 60.7228 38.8106 178.0375 9 K 3.8616 8.4658 119.7158 59.6572 32.1426 179.0618 10 L 3.9714 8.0086 118.8174 57.9128 41.4973 179.5045 11 E 3.9191 8.1371 118.1987 59.5267 29.4161 179.1967 12 Q 3.8143 7.8635 118.0387 59.0596 28.7119 179.1338 13 Q 3.8478 8.0232 119.8852 59.2772 29.1239 178.0693 14 A 3.9773 8.2977 122.1402 55.2927 18.3452 179.3079 15 M 3.9737 8.6261 117.2231 58.8460 32.1663 178.5280 16 K 4.0222 8.5231 119.8294 58.8109 32.2754 178.2847 17 L 3.9197 7.9831 120.8744 57.8530 42.1225 178.1990 18 Y 4.0974 8.2484 116.9041 60.6038 37.8372 178.1322 19 R 3.8964 8.0535 119.9088 59.5109 30.2297 178.2643 20 E 3.8964 7.7169 117.5647 59.4397 29.5387 179.0025 21 A 3.9875 7.9092 120.7852 55.4140 18.1997 179.8863 22 S 4.1036 8.2649 111.6658 61.7135 63.2187 176.0642 23 E 4.0766 7.8954 121.0371 58.9723 29.2799 179.0228 24 K 4.2449 7.9033 116.6755 56.8125 32.6038 177.4600 25 A 3.9902 7.4102 122.2157 52.9947 18.5667 177.3776 26 R 4.3144 8.4804 121.5068 57.6995 31.5241 177.6459 27 N 4.5255 7.9338 116.3150 52.3346 39.8782 174.1314 28 P 4.2561 0.0000 0.0000 65.5784 31.6913 178.5382 29 E 3.9344 8.0882 117.7315 59.2043 29.6831 178.8846 30 K 4.0224 7.9574 118.1494 59.1434 32.1747 179.1611 31 K 3.9614 8.2293 120.2266 59.5445 32.1722 179.0428 32 S 4.2934 8.2060 114.6672 61.3615 62.7645 176.6141 33 V 3.5169 7.6792 121.3424 65.7271 31.3769 177.8587 34 L 4.0453 7.9677 118.5778 58.1094 41.6775 179.5977 35 Q 3.9726 8.4722 118.1948 58.8109 28.2221 178.9500 36 K 3.8587 8.1458 120.5748 59.6445 32.2932 178.9794 37 I 3.4707 7.9717 120.4666 63.9392 36.7516 178.1055 38 L 3.6989 7.5815 121.2765 58.1423 41.8988 178.7818 39 E 3.9751 7.8600 118.0042 59.4861 29.2800 179.1473 40 D 3.9709 7.3948 118.1479 57.2475 40.9047 178.5949 41 E 3.7253 7.7693 118.7960 59.4699 29.6134 179.1700 42 E 3.8424 8.1072 118.6167 59.3828 29.5154 179.4387 43 K 3.7928 7.7713 119.3295 59.7531 32.1021 178.4495 44 H 4.0685 7.9013 116.7556 58.8409 28.5875 177.8166 45 I 3.7316 7.7525 121.5142 64.4827 36.9355 178.3607 46 E 4.3534 7.9661 120.3637 58.7918 29.3538 179.3936 47 W 4.4698 8.7413 119.4992 59.8919 28.8885 178.3501 48 L 4.1344 8.2563 119.4863 58.0378 41.3905 178.5074 49 E 4.1293 8.4048 118.9224 58.7297 29.2175 178.5842 50 T 4.5342 7.8057 108.4712 62.0681 70.0828 174.9863 51 I 3.9313 7.4666 121.0245 61.1206 36.5967 175.2284 52 N 3.9331 8.4003 123.1695 53.8589 39.2480 174.8805 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 2 D 8.21 4.70 0.00 2.83 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 3 Y 8.78 4.05 0.00 3.38 3.12 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 4 L 8.11 3.69 0.00 1.16 1.51 0.78 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.74 3.93 0.00 1.98 2.00 0.00 3.24 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 6 E 8.46 3.98 0.00 2.13 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 2.35 2.43 0.00 7 L 8.00 4.02 0.00 1.92 1.72 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.18 4.05 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.47 3.86 0.00 2.03 1.88 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.59 7.81 10 L 8.01 3.97 0.00 1.97 1.73 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.14 3.92 0.00 1.97 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 2.53 2.49 0.00 12 Q 7.86 3.81 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 1.95 2.23 0.00 13 Q 8.02 3.85 0.00 2.22 2.29 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 2.32 2.35 0.00 14 A 8.30 3.98 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.63 3.97 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 16 K 8.52 4.02 0.00 1.83 2.00 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 L 7.98 3.92 0.00 1.87 1.41 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.25 4.10 0.00 3.17 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 19 R 8.05 3.90 0.00 2.01 1.93 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 20 E 7.72 3.90 0.00 2.24 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 2.50 0.00 21 A 7.91 3.99 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 22 S 8.26 4.10 0.00 4.03 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 23 E 7.90 4.08 0.00 2.24 2.06 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 2.35 2.49 0.00 24 K 7.90 4.24 0.00 1.74 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 25 A 7.41 3.99 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 26 R 8.48 4.31 0.00 1.80 1.99 0.00 3.37 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 27 N 7.93 4.53 0.00 2.77 2.75 0.00 0.00 7.18 8.03 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 28 P 0.00 4.26 0.00 2.15 2.09 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 29 E 8.09 3.93 0.00 2.07 1.94 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 2.38 2.46 0.00 30 K 7.96 4.02 0.00 1.98 1.85 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.50 7.81 31 K 8.23 3.96 0.00 1.91 1.95 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.67 7.81 32 S 8.21 4.29 0.00 4.08 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 0.00 33 V 7.68 3.52 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 1.06 0.00 0.00 1.04 0.00 0.00 34 L 7.97 4.05 0.00 1.92 1.84 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.47 3.97 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 36 K 8.15 3.86 0.00 1.81 2.01 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.41 7.81 37 I 7.97 3.47 1.34 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 -0.03 0.00 0.00 38 L 7.58 3.70 0.00 1.76 1.74 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.86 3.98 0.00 2.16 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 2.25 2.28 0.00 40 D 7.39 3.97 0.00 2.60 2.34 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 41 E 7.77 3.73 0.00 1.96 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 2.19 2.47 0.00 42 E 8.11 3.84 0.00 1.99 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 2.25 2.54 0.00 43 K 7.77 3.79 0.00 1.53 1.42 0.00 0.97 0.00 0.00 1.13 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.80 7.81 44 H 7.90 4.07 0.00 3.25 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.75 3.73 2.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.93 0.87 0.00 0.00 46 E 7.97 4.35 0.00 2.25 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 0.00 2.37 2.35 0.00 47 W 8.74 4.47 0.00 3.56 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 4.13 0.00 2.10 1.92 0.98 1.03 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 E 8.40 4.13 0.00 2.35 2.02 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 2.35 2.58 0.00 50 T 7.81 4.53 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 1.34 0.00 0.00 51 I 7.47 3.93 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.98 0.00 0.00 52 N 8.40 3.93 0.00 2.83 2.74 0.00 0.00 7.02 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