NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4150 0.0000 0.0000 63.2722 32.5713 174.6529 3 Y 4.3065 7.9292 118.4347 55.6811 41.3820 172.1402 4 S 4.0565 7.3726 117.6601 58.7869 63.6041 173.4333 5 S 4.6370 8.5431 120.2309 58.3695 63.3038 173.7126 6 D 4.7829 7.7595 121.3331 53.2484 41.8842 176.4732 7 T 4.1724 8.2045 111.0460 62.1835 69.4160 173.8402 8 T 4.7191 8.1124 118.7614 60.9402 72.0253 172.2426 9 P 4.5416 0.0000 0.0000 62.8661 32.2075 176.2643 10 C 5.0047 8.4840 117.5627 55.3087 44.1755 173.7582 11 C 4.9225 8.1299 118.1381 55.4135 42.0272 174.1273 12 F 4.5822 8.4508 119.7252 56.8889 40.0547 174.6054 13 A 4.4133 7.3158 121.6583 51.1043 21.7700 175.3131 14 Y 5.1045 7.9734 117.2835 55.6396 40.7820 175.9850 15 I 3.8099 8.7169 124.7003 61.0561 38.5951 175.8339 16 A 4.2010 9.0548 133.2658 55.2034 18.4980 177.8719 17 R 4.6094 7.4450 110.9614 53.0259 33.5465 175.4770 18 P 2.0000 0.0000 0.0000 62.7485 31.5183 176.9335 19 L 4.1724 7.2579 122.2385 53.1485 42.7397 175.0068 20 P 4.1683 0.0000 0.0000 62.6076 31.8729 177.1925 21 R 3.1295 8.8816 124.0313 59.2917 29.8071 178.0760 22 A 4.0663 7.7455 117.7955 54.5363 18.5713 177.3457 23 H 4.7132 8.2825 112.5520 55.7781 29.2467 174.5134 24 I 4.8576 7.6159 121.7967 59.4239 38.5243 175.3009 25 K 4.6230 8.8146 123.9872 57.4559 34.8759 175.5537 26 E 5.1163 8.0897 118.6262 55.6646 34.5427 173.2255 27 Y 5.8339 8.5859 116.9704 57.5427 40.7158 173.7058 28 F 4.6551 7.8530 113.5000 56.0755 41.1563 172.4333 29 Y 4.8330 8.7543 118.5393 57.2553 38.9353 175.7203 30 T 4.4316 8.4121 113.8492 61.1722 70.1432 174.3372 31 S 4.2499 8.9672 117.0118 58.7436 62.7660 175.5396 32 G 3.8222 8.5969 114.2900 47.4104 0.0000 174.8924 33 K 3.9905 7.8978 119.3164 59.0395 32.2607 177.2854 34 C 4.5198 7.7766 115.9279 56.4836 40.6314 174.0819 35 S 4.1146 8.5906 116.9242 60.4149 63.0055 174.3018 36 N 5.0511 7.6338 117.0683 50.2621 40.8593 172.5177 37 P 4.5214 0.0000 0.0000 62.9627 32.6782 175.1347 38 A 4.5716 7.9464 118.2335 51.4328 22.5700 175.0249 39 V 4.0232 8.0492 120.0866 60.7202 34.3006 174.6287 40 V 4.4120 7.8751 128.0535 61.0554 33.3866 174.1690 41 F 5.2891 8.9005 127.9302 56.5853 41.0045 175.0554 42 V 4.9226 8.9938 124.3042 61.6197 33.1362 175.6465 43 T 4.9305 8.9048 119.0861 61.0666 70.3403 176.0501 44 R 4.0950 8.9895 123.2779 58.8640 30.0801 178.5866 45 K 4.3328 7.9639 118.0007 53.9222 31.8793 181.7448 46 N 4.4726 8.3888 114.9751 55.3746 36.4609 174.7022 47 R 4.4526 7.8687 117.0217 55.9532 32.0331 175.5526 48 Q 5.0828 8.6327 119.5656 54.3116 31.3783 175.0984 49 V 4.5028 8.8895 124.8245 61.1299 34.3697 173.9731 50 C 5.0365 8.8673 124.9593 56.8386 42.6549 172.4212 51 A 5.1107 9.0073 123.9677 50.1610 23.2023 174.8231 52 N 3.5845 8.1132 118.6373 51.5143 39.0029 174.3219 53 P 4.0823 0.0000 0.0000 65.1888 31.4792 177.3815 54 E 4.2284 8.6826 114.8456 56.4869 30.4455 182.7899 55 K 4.1608 7.4424 118.4154 56.2374 33.9598 177.6185 56 K 3.8151 8.5244 124.6891 59.4938 32.1843 179.2025 57 W 4.1390 8.0583 116.4247 59.3589 27.9651 178.3028 58 V 2.8254 6.2974 118.4900 65.6187 30.8753 178.0832 59 R 3.8592 7.5911 117.7346 59.1871 29.8451 178.9760 60 E 3.9995 8.2765 118.3800 59.6515 29.5199 178.8842 61 Y 4.2244 8.4704 117.0717 61.1843 37.8497 178.9016 62 I 3.2657 7.8518 120.5427 64.4028 36.9775 178.1418 63 N 4.3131 8.0682 115.9937 56.3371 38.5562 177.1889 64 S 4.2247 8.5548 114.7509 61.5333 62.1702 176.1269 65 L 4.0283 8.4668 121.9439 57.9451 41.1729 179.0698 66 E 4.0159 8.3685 116.6864 58.3906 29.4755 178.3248 67 M 4.3013 7.9457 118.7542 57.3881 32.6940 176.2168 68 S 4.3165 7.4855 118.2458 58.9031 62.9889 173.9993 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 P 0.00 4.42 0.00 2.22 2.15 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 3 Y 7.93 4.31 0.00 2.93 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 4 S 7.37 4.06 0.00 3.58 3.48 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 5 S 8.54 4.64 0.00 4.03 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.76 4.78 0.00 2.67 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 7 T 8.20 4.17 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 8 T 8.11 4.72 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 1.35 0.00 0.00 9 P 0.00 4.54 0.00 2.32 2.15 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 10 C 8.48 5.00 0.00 2.75 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.13 4.92 0.00 2.75 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 12 F 8.45 4.58 0.00 2.96 2.94 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 0.00 0.00 0.00 13 A 7.32 4.41 1.18 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 0.00 0.00 0.00 0.00 0.00 14 Y 7.97 5.10 0.00 3.01 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.72 3.81 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 1.34 0.00 0.00 16 A 9.05 4.20 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 17 R 7.45 4.61 0.00 1.79 1.66 0.00 3.28 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 18 P 0.00 2.00 0.00 1.42 0.79 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.00 19 L 7.26 4.17 0.00 1.68 1.60 1.17 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.17 0.00 1.72 1.73 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 21 R 8.88 3.13 0.00 1.23 1.69 0.00 2.41 0.00 0.00 2.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 22 A 7.75 4.07 1.25 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 0.00 0.00 0.00 23 H 8.28 4.71 0.00 3.32 3.31 0.00 5.60 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 24 I 7.62 4.86 1.83 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 1.02 0.00 0.00 25 K 8.81 4.62 0.00 1.78 1.93 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.45 7.81 26 E 8.09 5.12 0.00 2.03 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 2.37 2.38 0.00 27 Y 8.59 5.83 0.00 2.72 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 28 F 7.85 4.66 0.00 3.00 2.96 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 29 Y 8.75 4.83 0.00 2.90 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 30 T 8.41 4.43 4.29 0.00 0.00 0.00 0.00 0.00 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 S 8.97 4.25 0.00 4.03 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 32 G 8.60 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 33 K 7.90 3.99 0.00 1.56 1.65 0.00 1.38 0.00 0.00 1.46 0.00 0.00 2.65 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.32 7.81 34 C 7.78 4.52 0.00 3.01 2.88 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 35 S 8.59 4.11 0.00 4.02 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 36 N 7.63 5.05 0.00 2.68 2.77 0.00 0.00 6.93 8.02 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 37 P 0.00 4.52 0.00 2.23 2.08 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 38 A 7.95 4.57 1.27 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 0.00 0.00 0.00 39 V 8.05 4.02 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 -0.17 0.00 0.00 0.13 0.00 0.00 40 V 7.88 4.41 0.67 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 0.66 0.00 0.00 0.54 0.00 0.00 41 F 8.90 5.29 0.00 3.13 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 42 V 8.99 4.92 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 1.08 0.00 0.00 1.14 0.00 0.00 43 T 8.90 4.93 4.38 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 1.31 0.00 0.00 44 R 8.99 4.09 0.00 1.81 2.03 0.00 3.23 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 45 K 7.96 4.33 0.00 1.77 1.68 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.02 7.81 46 N 8.39 4.47 0.00 2.87 3.01 0.00 0.00 6.93 7.38 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 47 R 7.87 4.45 0.00 1.85 1.90 0.00 3.09 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 48 Q 8.63 5.08 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 49 V 8.89 4.50 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 1.24 0.00 0.00 1.04 0.00 0.00 50 C 8.87 5.04 0.00 3.05 3.08 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 0.00 0.00 0.00 51 A 9.01 5.11 1.06 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 0.00 0.00 52 N 8.11 3.58 0.00 1.60 2.21 0.00 0.00 6.73 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 53 P 0.00 4.08 0.00 2.26 2.09 0.00 3.38 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 54 E 8.68 4.23 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 2.22 2.14 0.00 55 K 7.44 4.16 0.00 1.30 1.25 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.24 1.47 7.81 56 K 8.52 3.82 0.00 1.81 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.51 7.81 57 W 8.06 4.14 0.00 3.20 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 58 V 6.30 2.83 1.65 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 0.64 0.00 0.00 -0.66 0.00 0.00 59 R 7.59 3.86 0.00 1.99 1.92 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 60 E 8.28 4.00 0.00 2.31 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 0.00 2.37 2.69 0.00 61 Y 8.47 4.22 0.00 3.14 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 62 I 7.85 3.27 1.90 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.49 0.70 0.00 0.00 63 N 8.07 4.31 0.00 2.88 2.91 0.00 0.00 7.06 7.59 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 64 S 8.55 4.22 0.00 3.88 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 65 L 8.47 4.03 0.00 1.90 1.94 1.21 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.37 4.02 0.00 2.14 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 0.00 2.78 2.62 0.00 67 M 7.95 4.30 0.00 1.98 2.30 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.90 0.00 68 S 7.49 4.32 0.00 3.85 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