NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4085 8.1585 120.3457 55.5470 34.6313 177.6031 2 A 4.0231 7.9591 120.8840 53.7757 18.6821 178.0532 3 K 3.8997 8.7880 117.0180 59.3565 33.3259 176.3014 4 E 3.7897 7.9205 117.4096 57.5486 29.8284 177.1543 5 F 4.7003 7.3481 114.3338 56.0301 41.0175 176.0888 6 G 3.7223 8.1567 108.3755 46.2097 0.0000 173.3465 7 I 4.1332 7.6636 121.4858 59.2965 37.8619 174.2545 8 P 4.3736 0.0000 0.0000 62.0934 33.2119 177.0819 9 A 3.9979 8.7062 122.6520 55.6015 18.0124 180.0776 10 A 3.9878 8.0253 118.5300 55.2241 18.3545 179.8604 11 V 3.6652 7.7076 115.9162 65.7256 31.7784 177.9301 12 A 4.0982 8.4140 121.0837 55.2869 18.2755 179.8883 13 G 3.5695 8.5375 104.6297 48.1574 0.0000 176.0185 14 T 3.8704 7.6037 116.6926 66.4323 68.4940 176.8493 15 V 3.6112 8.0072 120.2241 66.1341 31.5480 178.1660 16 L 4.1012 8.2189 118.7152 57.7156 41.3832 179.2578 17 N 4.3584 8.2481 116.8151 56.0400 38.3608 177.6076 18 V 3.5588 7.7193 119.4595 65.7948 31.6336 178.1313 19 V 3.5966 7.8276 117.9615 66.3453 31.1946 178.0016 20 E 4.0440 8.2252 116.4239 58.8453 29.3482 178.2621 21 A 4.3944 7.9145 118.4910 51.4389 18.8507 177.4296 22 G 3.8117 8.0426 105.4527 46.2868 0.0000 174.6041 23 G 3.8604 7.9861 109.0661 44.2055 0.0000 174.1386 24 W 4.5265 8.3408 118.7947 56.3334 29.8052 177.9497 25 V 3.7130 8.7254 121.8485 66.5159 30.8807 178.5885 26 T 4.0022 8.0484 108.7364 64.6825 68.6728 176.7404 27 T 3.9403 7.9663 118.6800 66.6384 68.5196 176.6691 28 I 3.7165 7.7905 121.2451 64.4084 37.1165 178.4405 29 V 3.6214 8.1962 119.6480 66.0780 31.3523 178.2580 30 S 4.1472 8.4857 114.3376 61.3740 62.5073 176.6055 31 I 3.6956 7.8355 123.4218 64.2856 36.9305 178.4752 32 L 4.0216 8.0836 119.7993 57.9471 41.5147 179.6782 33 T 3.8762 8.3284 116.0373 66.5418 68.1477 176.5291 34 A 4.0734 7.7829 121.6862 54.8090 18.4046 179.5117 35 V 3.6914 7.2217 116.1594 66.0599 32.3163 175.9769 36 G 3.9258 8.5469 104.0501 43.8178 0.0000 174.2048 37 S 4.1686 9.2497 112.6973 61.9315 62.2794 177.5325 38 G 4.1987 7.6176 108.9194 47.1471 0.0000 175.7545 39 G 4.0665 7.8819 108.8307 47.2530 0.0000 175.6276 40 L 3.9918 7.9344 121.7761 57.4742 41.5996 179.7997 41 S 4.1288 8.3627 115.4602 61.5973 62.3287 176.5739 42 L 2.9321 7.3926 122.7866 57.6464 41.4424 178.9061 43 L 3.9166 7.6499 117.9028 57.7617 41.8272 179.0975 44 A 4.0556 8.0640 120.5250 54.9346 18.0930 179.5151 45 A 3.9475 7.7596 118.1777 54.9421 18.7771 179.3861 46 A 2.7029 7.4302 118.6466 51.7029 18.4432 178.9205 47 G 3.7522 8.0723 105.2670 47.3452 0.0000 175.2453 48 R 4.3798 8.6670 123.4301 55.6552 30.3272 175.8671 49 E 4.3768 7.7170 118.3717 55.3449 30.5558 177.3517 50 S 4.3645 8.3351 116.7008 58.2231 65.2488 175.2526 51 I 3.7351 8.3316 122.8686 64.1497 37.7042 178.2186 52 K 3.9631 8.0949 119.9305 59.4433 32.1503 178.5410 53 A 4.0160 8.1170 121.1319 55.1741 18.3173 178.8970 54 Y 4.1429 8.3713 118.2912 61.1149 38.8615 178.5414 55 L 3.9222 8.2765 119.8630 57.4185 41.6872 179.5468 56 K 3.8894 8.2297 118.7397 59.3196 32.1205 179.1796 57 K 3.8674 7.9506 119.7277 59.4917 32.1269 178.5348 58 E 3.6276 7.8287 118.7493 59.4392 29.2895 179.4985 59 I 3.6084 7.7960 119.7800 64.3059 36.9640 178.4625 60 K 4.0138 7.9513 119.4099 58.5355 32.0801 177.9430 61 K 4.3513 7.6361 116.1771 56.9758 33.3199 177.1301 62 K 4.2164 8.1387 117.6770 55.7865 34.9226 177.6744 63 G 3.9989 8.3674 104.1256 45.2174 0.0000 174.1528 64 K 3.8246 8.7107 120.8670 59.4501 32.2190 179.0049 65 R 3.8758 8.0526 118.0794 59.6212 29.9270 178.1431 66 A 4.0612 7.9454 119.9218 55.0699 18.2005 179.6299 67 V 3.6685 7.6661 116.1066 66.1385 31.9543 177.9270 68 I 3.9350 8.2400 119.7622 64.5187 37.0154 178.2443 69 A 4.0748 8.1805 121.5003 54.7720 18.1640 177.2994 70 W 4.3093 8.6920 131.7511 57.7760 30.8243 175.4869 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 1 M 8.16 4.41 0.00 2.15 2.41 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.16 2.67 0.00 2 A 7.96 4.02 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 3 K 8.79 3.90 0.00 1.73 1.81 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.36 7.81 4 E 7.92 3.79 0.00 1.16 1.12 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 1.96 1.75 0.00 5 F 7.35 4.70 0.00 3.09 3.06 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 6 G 8.16 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.66 4.13 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.13 0.92 0.00 0.00 8 P 0.00 4.37 0.00 2.16 1.97 0.00 3.62 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 9 A 8.71 4.00 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 10 A 8.03 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 11 V 7.71 3.67 2.21 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 1.12 0.00 0.00 0.93 0.00 0.00 12 A 8.41 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.60 3.87 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 15 V 8.01 3.61 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 1.06 0.00 0.00 0.98 0.00 0.00 16 L 8.22 4.10 0.00 1.75 1.72 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.25 4.36 0.00 2.89 2.85 0.00 0.00 6.53 7.84 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 18 V 7.72 3.56 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 1.07 0.00 0.00 0.93 0.00 0.00 19 V 7.83 3.60 2.28 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 0.99 0.00 0.00 1.04 0.00 0.00 20 E 8.23 4.04 0.00 1.98 2.00 0.00 0.00 0.00 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 2.56 0.00 21 A 7.91 4.39 1.35 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 0.00 0.00 22 G 8.04 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 0.00 0.00 0.00 23 G 7.99 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 0.00 0.00 0.00 24 W 8.34 4.53 0.00 3.37 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.73 3.71 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 1.21 0.00 0.00 0.97 0.00 0.00 26 T 8.05 4.00 4.34 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 1.21 0.00 0.00 27 T 7.97 3.94 4.45 0.00 0.00 0.00 0.00 0.00 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 28 I 7.79 3.72 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.78 0.95 0.00 0.00 29 V 8.20 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 1.15 0.00 0.00 0.99 0.00 0.00 30 S 8.49 4.15 0.00 4.10 4.20 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 31 I 7.84 3.70 1.88 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 1.52 0.91 0.91 0.00 0.00 32 L 8.08 4.02 0.00 1.68 1.82 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.33 3.88 4.42 0.00 0.00 0.00 0.00 0.00 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 34 A 7.78 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.22 3.69 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 0.84 0.00 0.00 0.98 0.00 0.00 36 G 8.55 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 9.25 4.17 0.00 3.90 3.91 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 0.00 0.00 0.00 38 G 7.62 4.20 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 0.00 39 G 7.88 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.99 0.00 1.86 1.71 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.36 4.13 0.00 4.13 4.16 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 0.00 0.00 0.00 42 L 7.39 2.93 0.00 0.46 1.36 0.71 0.53 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 43 L 7.65 3.92 0.00 1.77 1.67 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.06 4.06 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 45 A 7.76 3.95 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.43 2.70 1.30 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 0.00 0.00 0.00 47 G 8.07 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.67 4.38 0.00 1.80 1.96 0.00 3.20 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 49 E 7.72 4.38 0.00 2.21 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 2.28 0.00 50 S 8.34 4.36 0.00 4.07 4.01 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 0.00 0.00 0.00 51 I 8.33 3.74 1.90 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.28 0.95 0.00 0.00 52 K 8.09 3.96 0.00 1.92 1.84 0.00 1.82 0.00 0.00 1.97 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.55 7.81 53 A 8.12 4.02 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 54 Y 8.37 4.14 0.00 3.10 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 55 L 8.28 3.92 0.00 1.84 1.72 1.00 1.10 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 56 K 8.23 3.89 0.00 2.06 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.59 7.81 57 K 7.95 3.87 0.00 1.81 1.89 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.43 7.81 58 E 7.83 3.63 0.00 1.85 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 59 I 7.80 3.61 1.98 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 1.38 0.76 0.93 0.00 0.00 60 K 7.95 4.01 0.00 1.72 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 61 K 7.64 4.35 0.00 1.89 1.82 0.00 1.48 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.46 1.29 7.81 62 K 8.14 4.22 0.00 1.74 1.73 0.00 1.29 0.00 0.00 1.51 0.00 0.00 2.75 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.20 1.10 7.81 63 G 8.37 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.71 3.82 0.00 1.83 1.83 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.52 7.81 65 R 8.05 3.88 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 66 A 7.95 4.06 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 67 V 7.67 3.67 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 1.06 0.00 0.00 0.90 0.00 0.00 68 I 8.24 3.94 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.95 0.95 0.00 0.00 69 A 8.18 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 W 8.69 4.31 0.00 3.40 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00