NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3040 8.0433 122.7542 54.8862 44.0703 175.1121 10 L 4.5875 8.4398 125.1739 53.0786 42.6069 174.2905 11 L 5.0433 8.0831 123.1221 52.9871 46.4758 175.1474 12 E 4.7966 8.4119 116.7683 54.8597 33.3792 176.8328 13 C 4.9955 8.7528 119.1158 61.6924 31.0551 172.1155 14 T 5.7109 8.3042 117.0685 62.7602 70.2076 171.8360 15 E 3.4292 9.0572 131.2549 55.6219 28.7884 175.2964 16 C 4.7593 9.7317 124.5630 58.9951 30.8649 171.8683 17 K 3.8590 8.1523 130.2086 58.3507 29.8254 176.5934 18 R 3.9576 8.5022 124.1490 56.4565 29.7015 177.2450 19 R 3.6980 7.0269 115.9661 56.2795 27.3548 175.3294 20 N 4.3730 7.7122 119.2564 52.3214 39.7255 175.1142 21 Y 5.6245 7.6368 118.0351 56.3865 40.7977 174.5494 22 A 4.1957 9.1628 117.5664 52.5007 22.1593 176.4606 23 T 3.6843 7.1637 109.9425 59.2079 69.5061 172.3735 24 E 5.1773 8.0709 128.4160 55.8032 31.8895 176.0823 25 K 4.5903 8.1519 124.7608 55.8279 33.7920 174.2029 26 N 4.6606 7.4253 114.7686 51.5052 41.0893 174.0068 27 K 3.9630 8.0138 115.1224 57.0689 30.4359 174.7274 28 R 4.5782 9.2995 117.9955 54.8517 31.3467 176.0935 29 N 4.9643 8.4442 117.8026 52.8134 39.7247 174.1208 30 T 4.4054 7.3312 110.9666 60.8580 70.3520 171.0318 31 P 4.5299 0.0000 0.0000 62.3359 31.5789 177.1256 32 N 4.1809 8.2255 113.5785 54.0952 36.8255 174.3258 33 K 4.3145 7.6974 117.7554 56.0390 33.1509 176.0641 34 L 4.4342 8.3361 117.6440 56.2597 41.6368 179.7595 35 E 3.7608 9.6974 118.2979 56.0883 28.3833 174.5551 36 L 4.2169 9.3179 125.7384 55.1928 40.8144 174.7268 37 R 3.6427 7.4795 116.3878 54.8034 30.4019 175.0052 38 K 5.0552 8.5688 125.0246 56.5197 33.2376 175.5344 39 Y 5.1758 8.3172 128.3326 56.1709 42.2804 172.3859 40 C 4.6955 7.4734 118.6809 56.5025 33.9540 173.1727 41 P 3.4915 0.0000 0.0000 62.6606 30.7479 176.9770 42 W 4.4391 7.5594 122.7988 58.3523 29.1487 175.8206 43 C 4.8974 8.0836 119.6948 56.4427 31.7078 173.9666 44 R 4.5144 7.3973 114.0465 56.5033 33.9004 173.1625 45 K 4.6850 7.7568 125.8162 57.0609 31.5070 178.9271 46 H 4.7074 8.8870 117.5505 54.8387 31.7788 169.0541 47 T 4.6277 8.6137 118.3468 63.9805 68.5079 174.8500 48 V 4.1587 7.7514 119.3302 60.9284 33.5791 177.6919 49 H 5.3280 11.1153 108.3051 57.2116 28.1748 173.9670 50 R 4.4686 8.2830 116.4693 55.2964 31.9922 173.1050 51 E 4.0896 7.9484 119.2301 57.1131 30.5024 176.9993 52 V 4.1461 7.9764 119.7119 61.3414 34.9809 172.7790 53 K 4.5431 7.9771 118.9634 56.6410 32.4014 175.7996 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 9 L 8.04 4.30 0.00 1.74 1.59 0.91 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.44 4.59 0.00 1.62 1.59 0.92 0.60 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 11 L 8.08 5.04 0.00 1.51 1.50 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.41 4.80 0.00 2.15 2.05 0.00 0.00 0.00 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 2.33 0.00 13 C 8.75 5.00 0.00 3.54 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 14 T 8.30 5.71 4.54 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 1.39 0.00 0.00 15 E 9.06 3.43 0.00 1.59 1.63 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 2.19 2.09 0.00 16 C 9.73 4.76 0.00 3.22 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 17 K 8.15 3.86 0.00 1.91 2.08 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.34 7.81 18 R 8.50 3.96 0.00 1.96 2.25 0.00 3.24 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 19 R 7.03 3.70 0.00 1.95 2.42 0.00 3.28 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 20 N 7.71 4.37 0.00 2.62 3.05 0.00 0.00 6.98 7.68 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 21 Y 7.64 5.62 0.00 2.94 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 22 A 9.16 4.20 0.21 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 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.16 3.68 4.25 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 0.00 0.00 0.00 1.16 0.00 0.00 24 E 8.07 5.18 0.00 2.11 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 2.00 2.06 0.00 25 K 8.15 4.59 0.00 1.93 1.80 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.35 7.81 26 N 7.43 4.66 0.00 2.62 2.85 0.00 0.00 7.33 6.46 0.00 0.00 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 K 8.01 3.96 0.00 1.87 1.83 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.49 7.81 28 R 9.30 4.58 0.00 1.81 1.98 0.00 3.48 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 29 N 8.44 4.96 0.00 2.66 2.78 0.00 0.00 6.80 7.54 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 30 T 7.33 4.41 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 1.21 0.00 0.00 31 P 0.00 4.53 0.00 2.25 2.24 0.00 3.89 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 2.11 1.97 0.00 32 N 8.23 4.18 0.00 2.89 2.97 0.00 0.00 7.07 7.61 0.00 0.00 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 K 7.70 4.31 0.00 1.75 1.79 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.52 7.81 34 L 8.34 4.43 0.00 1.82 1.87 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.70 3.76 0.00 2.18 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 2.40 2.24 0.00 36 L 9.32 4.22 0.00 1.72 2.12 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.48 3.64 0.00 1.72 1.80 0.00 3.24 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 38 K 8.57 5.06 0.00 2.02 1.84 0.00 1.21 0.00 0.00 2.29 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.30 7.81 39 Y 8.32 5.18 0.00 2.80 2.17 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 40 C 7.47 4.70 0.00 2.47 2.31 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 41 P 0.00 3.49 0.00 2.03 2.30 0.00 3.51 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 2.42 1.75 0.00 42 W 7.56 4.44 0.00 3.46 3.11 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 0.00 0.00 0.00 0.00 43 C 8.08 4.90 0.00 2.89 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 44 R 7.40 4.51 0.00 2.04 1.96 0.00 3.05 0.00 0.00 3.25 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.00 45 K 7.76 4.68 0.00 1.85 1.04 0.00 1.37 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.46 7.81 46 H 8.89 4.71 0.00 3.10 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.61 4.63 4.21 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 0.00 0.00 0.00 1.25 0.00 0.00 48 V 7.75 4.16 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 0.77 0.00 0.00 0.96 0.00 0.00 49 H 11.12 5.33 0.00 3.43 3.80 0.00 5.99 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.28 4.47 0.00 2.05 2.08 0.00 3.02 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 51 E 7.95 4.09 0.00 1.99 1.95 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 2.35 2.30 0.00 52 V 7.98 4.15 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 -0.21 0.00 0.00 0.66 0.00 0.00 53 K 7.98 4.54 0.00 1.83 1.69 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.83 1.31 7.81