NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4858 8.3349 115.4131 57.8864 65.2728 174.4165 5 E 4.3553 7.8268 119.5341 55.5966 31.8742 173.1845 6 V 3.7183 8.7936 119.4043 65.9036 32.6149 177.9557 7 R 3.8449 7.9181 117.7703 59.1207 29.9274 178.3025 8 K 3.9692 7.7415 117.8829 59.5950 32.2802 178.3146 9 Q 3.9309 8.1932 119.2906 60.0401 28.7675 178.3242 10 L 3.9919 8.2384 119.8245 57.3874 41.3988 178.6506 11 E 3.9182 7.9039 119.8950 59.9037 29.6332 178.7639 12 E 3.9820 8.2951 118.7078 59.0106 29.7942 178.0563 13 A 4.1055 8.1339 120.7637 54.4351 19.0324 178.4937 14 R 3.8750 7.2494 114.6639 57.7013 30.8535 176.6993 15 K 3.6341 8.5629 118.8018 54.5959 28.7409 173.1665 16 L 5.3546 7.4597 130.8175 56.0071 44.1132 172.5485 17 S 4.7025 7.2438 120.8063 57.0410 65.7682 175.6320 18 P 4.7774 0.0000 0.0000 63.3471 32.5292 176.7042 19 V 3.5478 7.7543 117.1051 64.7686 31.3531 177.1141 20 E 4.0898 7.9079 117.6154 59.3588 30.0076 178.1014 21 L 3.9332 7.7116 118.4658 57.7745 41.5299 178.7689 22 E 3.9118 8.5592 118.4826 60.1754 29.7696 178.3577 23 K 3.7974 8.1927 117.9583 59.0721 31.9273 179.2199 24 L 3.7737 8.8753 122.3329 58.8667 42.5068 179.9501 25 V 3.6488 7.8647 118.4102 65.8195 31.3854 178.1682 26 R 3.8187 8.6408 118.3890 59.3561 29.8813 178.9094 27 E 3.9841 8.0692 117.8979 59.2748 29.5426 179.3588 28 K 4.1302 7.8522 118.3126 59.3163 32.1124 179.6621 29 K 4.0538 8.7737 119.4810 59.2076 31.9367 179.4617 30 R 3.9145 8.3896 119.6430 59.3305 29.5355 178.3564 31 E 3.9806 8.5111 118.8115 59.1404 29.2865 179.1731 32 L 3.9781 7.9672 120.6220 58.1580 42.1805 178.4149 33 M 4.1103 7.9254 118.2375 58.9847 31.8496 177.9207 34 E 4.0256 8.2932 117.3878 58.2585 29.5522 178.9584 35 L 4.1731 7.5301 119.0263 57.3305 41.9695 179.1487 36 R 4.0170 8.4411 118.4244 59.3960 30.1138 179.1490 37 F 4.0282 8.6864 117.6318 60.5567 38.6487 177.7703 38 Q 4.1081 7.7787 116.4531 58.6051 29.0711 177.8377 39 A 4.2190 8.5608 121.1469 54.1809 18.6657 178.9993 40 S 4.0909 7.9962 113.1700 60.8296 62.3554 175.6609 41 I 3.8648 7.7216 116.4611 62.6361 37.3987 175.1240 42 G 4.1740 8.3660 111.5557 46.3749 0.0000 173.3387 43 Q 4.5281 7.7243 120.8927 53.9338 27.1389 176.2400 44 L 4.6031 7.2593 114.7251 54.5150 45.3632 174.1942 45 S 4.6904 8.0484 112.6555 57.0420 65.5000 173.9467 46 Q 4.3692 8.0583 122.9437 55.0491 30.0095 177.6102 47 N 3.9761 8.9601 120.5495 53.7471 41.3290 178.1374 48 H 3.8038 8.3918 118.7714 58.7948 31.2859 176.8433 49 K 4.3474 8.3263 123.9514 58.2574 31.7028 179.0723 50 I 3.7390 7.7647 113.1848 63.6601 37.4237 177.9317 51 R 4.1960 7.7511 116.7099 57.8757 29.8832 178.1145 52 D 4.3760 8.4817 120.2455 57.2439 40.8833 178.5959 53 L 3.9007 7.9571 120.4398 58.0923 42.0835 178.6337 54 K 3.8165 7.7661 117.9923 60.1084 32.0123 179.4746 55 R 3.9471 8.7159 118.4123 59.1544 29.9118 178.9372 56 Q 3.7407 8.2920 119.7294 59.0652 28.9760 178.5361 57 I 3.6653 8.2580 121.0277 64.2118 37.2011 177.8921 58 A 3.9828 8.1605 121.9539 55.4473 18.3210 179.4916 59 R 3.8403 8.6490 117.2096 59.6578 30.1387 178.9021 60 L 3.9578 8.0066 118.2068 58.1650 41.8296 179.4964 61 L 3.9400 8.0354 118.5525 58.4636 41.5515 179.7354 62 T 3.9457 7.9917 112.7757 64.9197 67.3929 176.6753 63 V 3.6455 7.6714 120.0666 65.6051 31.6131 177.7314 64 L 3.9992 8.1947 120.7274 58.3785 41.7650 178.3220 65 N 4.3588 8.2004 116.2443 55.8811 38.4699 177.1150 66 E 3.9439 8.3241 119.5483 59.6270 29.6134 179.7374 67 K 3.8356 7.9527 117.6834 59.9431 31.9981 179.3741 68 R 3.8585 7.6911 116.3362 59.2350 30.1631 178.4991 69 R 4.0309 8.3531 118.1348 60.0797 30.1563 177.3931 70 Q 3.8051 8.1815 116.2644 57.0514 28.7823 176.1275 71 N 4.9932 6.7152 134.2264 54.3003 42.1638 174.4394 72 A 4.1738 7.7189 125.5537 52.8471 18.3526 176.9886 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 4 S 8.33 4.49 0.00 4.00 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 5 E 7.83 4.36 0.00 2.15 1.99 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 2.29 2.42 0.00 6 V 8.79 3.72 2.08 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 1.07 0.00 0.00 0.94 0.00 0.00 7 R 7.92 3.84 0.00 1.90 1.97 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 8 K 7.74 3.97 0.00 1.88 1.91 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 9 Q 8.19 3.93 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 10 L 8.24 3.99 0.00 1.90 1.63 0.92 0.63 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 E 7.90 3.92 0.00 2.05 2.14 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 2.33 2.39 0.00 12 E 8.30 3.98 0.00 2.08 2.13 0.00 0.00 0.00 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 2.37 0.00 13 A 8.13 4.11 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 14 R 7.25 3.87 0.00 1.97 1.89 0.00 3.32 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 15 K 8.56 3.63 0.00 1.87 1.82 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.35 7.81 16 L 7.46 5.35 0.00 1.68 1.92 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.24 4.70 0.00 4.06 3.85 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 18 P 0.00 4.78 0.00 2.25 2.30 0.00 3.70 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 1.96 1.97 0.00 19 V 7.75 3.55 2.08 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 1.06 0.00 0.00 0.93 0.00 0.00 20 E 7.91 4.09 0.00 2.04 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 2.36 2.38 0.00 21 L 7.71 3.93 0.00 1.86 1.72 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.56 3.91 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 23 K 8.19 3.80 0.00 2.10 1.85 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.62 7.81 24 L 8.88 3.77 0.00 1.91 1.73 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.86 3.65 2.20 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 0.98 0.00 0.00 1.04 0.00 0.00 26 R 8.64 3.82 0.00 1.94 1.96 0.00 3.17 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 27 E 8.07 3.98 0.00 2.18 1.98 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 2.39 2.45 0.00 28 K 7.85 4.13 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.62 7.81 29 K 8.77 4.05 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.59 7.81 30 R 8.39 3.91 0.00 1.88 2.04 0.00 3.06 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 31 E 8.51 3.98 0.00 2.24 1.98 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 2.31 2.49 0.00 32 L 7.97 3.98 0.00 1.93 1.79 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 M 7.93 4.11 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.62 0.00 34 E 8.29 4.03 0.00 2.02 1.91 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 2.06 2.38 0.00 35 L 7.53 4.17 0.00 1.93 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.44 4.02 0.00 2.19 2.01 0.00 3.15 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 37 F 8.69 4.03 0.00 3.22 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 38 Q 7.78 4.11 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 39 A 8.56 4.22 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 40 S 8.00 4.09 0.00 4.06 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 41 I 7.72 3.86 1.88 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 1.48 0.75 0.99 0.00 0.00 42 G 8.37 4.17 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 0.00 43 Q 7.72 4.53 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.21 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 44 L 7.26 4.60 0.00 1.82 1.63 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.05 4.69 0.00 3.76 3.67 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 46 Q 8.06 4.37 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 5.97 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 47 N 8.96 3.98 0.00 2.93 2.83 0.00 0.00 6.89 8.16 0.00 0.00 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 H 8.39 3.80 0.00 3.38 3.81 0.00 5.49 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.33 4.35 0.00 1.75 1.87 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.07 7.81 50 I 7.76 3.74 1.88 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 1.70 0.63 0.92 0.00 0.00 51 R 7.75 4.20 0.00 2.06 2.23 0.00 3.00 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 52 D 8.48 4.38 0.00 2.80 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 53 L 7.96 3.90 0.00 1.92 1.65 1.02 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.77 3.82 0.00 2.01 1.87 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 55 R 8.72 3.95 0.00 1.89 1.98 0.00 3.14 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 56 Q 8.29 3.74 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 57 I 8.26 3.67 2.13 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 0.91 0.00 0.00 58 A 8.16 3.98 1.38 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 0.00 0.00 0.00 59 R 8.65 3.84 0.00 2.08 2.02 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 60 L 8.01 3.96 0.00 1.85 1.73 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.04 3.94 0.00 1.83 1.74 0.92 0.52 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 62 T 7.99 3.95 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 1.32 0.00 0.00 63 V 7.67 3.65 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 0.96 0.00 0.00 0.97 0.00 0.00 64 L 8.19 4.00 0.00 1.91 1.82 0.92 0.67 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 65 N 8.20 4.36 0.00 3.16 2.80 0.00 0.00 6.95 7.28 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 66 E 8.32 3.94 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 67 K 7.95 3.84 0.00 2.01 1.87 0.00 1.56 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.54 7.81 68 R 7.69 3.86 0.00 2.09 1.99 0.00 3.20 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 69 R 8.35 4.03 0.00 1.76 2.07 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 70 Q 8.18 3.81 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 71 N 6.72 4.99 0.00 2.71 2.82 0.00 0.00 7.31 9.26 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 72 A 7.72 4.17 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