NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7047 8.4249 118.2175 52.5909 39.2200 174.0806 3 Q 4.2815 7.7350 117.2308 55.7269 28.8166 175.4524 4 G 3.8827 8.8272 107.0591 46.7362 0.0000 174.6258 5 K 4.3349 7.7099 118.7983 56.3485 32.9691 178.0013 6 I 3.4226 7.6176 120.4843 63.8017 37.3377 176.6872 7 W 5.2677 7.6148 117.7019 56.7890 29.0492 177.3851 8 T 4.3451 8.0692 111.1403 62.7653 68.8052 175.7121 9 V 4.1635 7.6070 113.5182 61.7843 33.9786 175.9596 10 V 4.1887 7.9566 120.1057 61.0560 32.7750 174.1997 11 N 4.8673 8.7512 125.6000 52.5835 39.5671 173.8900 12 P 4.1937 0.0000 0.0000 65.5994 31.0937 178.0438 13 A 3.9736 8.1200 120.0837 54.5557 18.4216 178.9177 14 I 4.2141 7.5528 117.4678 63.6982 38.0457 178.3941 15 G 3.8885 8.5329 106.9772 47.8452 0.0000 175.9248 16 I 3.7280 7.7097 122.2220 63.7589 37.1011 176.7994 17 P 4.2215 0.0000 0.0000 65.4680 31.1920 178.5265 18 A 4.0616 8.2600 119.7586 54.8424 18.2105 179.4626 19 L 3.9257 8.4310 119.2724 58.4420 42.4231 179.2282 20 L 4.1086 8.3106 119.3423 57.6895 41.4766 179.7971 21 G 3.6466 8.5233 106.0637 47.9439 0.0000 175.9592 22 S 4.1349 8.1405 117.8651 61.2697 62.8088 176.9179 23 V 3.6159 7.9885 120.9837 66.3954 31.1557 178.2280 24 T 3.8861 7.8801 115.1044 66.5686 68.2552 176.8305 25 V 3.6108 8.0980 120.4140 65.9666 31.5274 178.1959 26 I 3.6872 8.0429 119.3367 64.2916 36.9624 177.9086 27 A 4.0553 8.1680 121.7900 55.5532 18.1025 179.5612 28 I 3.7034 8.0799 118.2381 64.7094 37.2216 178.6821 29 L 4.0057 8.0343 119.6152 57.7356 41.3982 179.7291 30 V 3.5987 8.4308 118.4547 66.3197 31.4283 177.5391 31 H 4.2349 8.4969 115.9893 59.2591 28.4270 177.7983 32 L 3.9907 8.1072 119.0490 57.5088 41.7288 179.1704 33 A 4.1673 8.5479 121.2023 55.3608 18.3219 179.7628 34 I 3.6101 7.9970 118.4990 64.3896 36.9001 178.3883 35 L 3.5686 7.9722 120.4655 58.0136 41.8892 178.7527 36 S 4.3060 7.6700 113.2788 59.8612 62.9970 174.5651 37 H 4.8142 7.6052 116.4217 55.1828 29.5208 173.0429 38 T 4.6071 7.3465 108.8001 59.9133 71.7893 173.6006 39 T 4.2394 8.1190 111.1242 62.8859 70.0291 177.0105 40 W 4.4156 7.7308 119.8747 58.9174 28.2546 178.1902 41 F 4.3116 7.1072 121.2916 60.8437 38.7788 175.2348 42 P 3.9536 0.0000 0.0000 65.5649 31.1607 178.5020 43 A 4.2050 8.2226 119.4531 54.9911 17.9868 178.9646 44 Y 4.4459 8.3825 118.0683 61.1806 39.0250 178.3674 45 W 4.3494 7.8869 118.4069 59.5586 29.2035 178.0917 46 Q 4.1458 8.5923 119.7571 59.1245 29.1138 177.6752 47 G 3.7600 9.3587 109.1112 47.2712 0.0000 173.8920 48 G 4.0446 9.0739 107.4623 45.6913 0.0000 174.3734 49 V 4.0994 7.0594 119.5380 60.2574 31.5806 176.8603 50 K 4.2177 8.6807 131.7328 58.1130 32.0522 179.7147 51 K 4.5673 8.9960 128.3304 56.4833 33.6159 178.0094 52 A 4.0904 9.5475 121.2231 52.4817 16.7610 178.0320 53 A 4.1447 8.9886 124.0732 52.1668 19.0012 177.6501 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 N 8.42 4.70 0.00 2.84 2.99 0.00 0.00 6.00 6.50 0.00 0.00 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 Q 7.73 4.28 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 4 G 8.83 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 0.00 0.00 0.00 5 K 7.71 4.33 0.00 1.83 1.81 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 6 I 7.62 3.42 1.56 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.68 -0.50 0.00 0.00 7 W 7.61 5.27 0.00 3.32 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 8 T 8.07 4.35 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 1.29 0.00 0.00 9 V 7.61 4.16 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 0.69 0.00 0.00 0.94 0.00 0.00 10 V 7.96 4.19 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 1.12 0.00 0.00 0.86 0.00 0.00 11 N 8.75 4.87 0.00 2.94 2.77 0.00 0.00 6.97 7.71 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 12 P 0.00 4.19 0.00 1.89 1.47 0.00 3.84 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 13 A 8.12 3.97 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.55 4.21 2.04 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 1.61 1.03 0.95 0.00 0.00 15 G 8.53 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 16 I 7.71 3.73 1.82 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 -0.12 0.81 0.00 0.00 17 P 0.00 4.22 0.00 2.16 2.09 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.12 0.00 18 A 8.26 4.06 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.43 3.93 0.00 2.00 1.94 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.31 4.11 0.00 1.72 1.71 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.52 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 22 S 8.14 4.13 0.00 4.10 3.95 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 23 V 7.99 3.62 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 1.14 0.00 0.00 1.00 0.00 0.00 24 T 7.88 3.89 4.40 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 0.00 0.00 0.00 1.23 0.00 0.00 25 V 8.10 3.61 2.23 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 1.05 0.00 0.00 0.99 0.00 0.00 26 I 8.04 3.69 2.06 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 1.48 0.63 0.94 0.00 0.00 27 A 8.17 4.06 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.08 3.70 2.10 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 1.55 0.77 0.95 0.00 0.00 29 L 8.03 4.01 0.00 1.91 1.74 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.43 3.60 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 31 H 8.50 4.23 0.00 3.58 3.59 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.11 3.99 0.00 1.77 1.74 0.98 0.92 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 33 A 8.55 4.17 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.00 3.61 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.59 0.00 0.00 35 L 7.97 3.57 0.00 1.24 1.66 -1.18 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.67 4.31 0.00 3.83 3.74 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 37 H 7.61 4.81 0.00 3.14 3.22 0.00 5.60 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.35 4.61 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 0.83 0.00 0.00 39 T 8.12 4.24 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 1.21 0.00 0.00 40 W 7.73 4.42 0.00 3.53 3.35 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 41 F 7.11 4.31 0.00 2.03 2.40 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 0.00 0.00 0.00 0.00 42 P 0.00 3.95 0.00 2.14 1.98 0.00 3.56 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 43 A 8.22 4.21 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.38 4.45 0.00 3.13 3.52 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 45 W 7.89 4.35 0.00 3.49 2.99 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 0.00 0.00 0.00 46 Q 8.59 4.15 0.00 2.18 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.90 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 47 G 9.36 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 48 G 9.07 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.06 4.10 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 0.76 0.00 0.00 0.96 0.00 0.00 50 K 8.68 4.22 0.00 1.77 1.54 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.50 7.81 51 K 9.00 4.57 0.00 1.72 0.88 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.45 7.81 52 A 9.55 4.09 1.17 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 0.00 0.00 53 A 8.99 4.14 1.20 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 0.00 0.00