NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 2.4947 8.0433 122.3922 54.6055 43.6696 178.8571 3 Q 3.7772 7.6968 115.0646 57.5709 28.6602 175.8553 4 L 4.3051 8.4102 117.6562 55.5946 43.4382 176.8199 5 W 4.5886 8.3618 121.4582 56.6479 29.5250 176.4402 6 S 4.7865 8.9102 119.3776 57.0158 65.4465 175.3897 7 K 4.6137 8.1601 122.1329 59.6484 32.0347 179.0597 8 F 4.3667 7.6162 118.5407 60.3489 38.9771 177.2930 9 D 4.2420 8.1170 118.6658 57.1056 40.4171 178.9360 10 V 3.9345 8.0549 119.1497 65.8790 31.5860 178.2991 11 G 3.6608 8.1383 105.5526 48.0584 0.0000 175.4116 12 D 4.3652 8.2520 121.5617 56.6300 40.8810 178.7140 13 W 4.1294 8.0803 130.2343 59.8946 30.7337 177.9719 14 L 3.4688 8.2991 119.2554 57.7693 40.9947 179.3994 15 E 3.9516 8.1610 118.6662 59.3115 29.4690 179.5622 16 S 4.1417 8.2019 114.5134 60.1275 62.7057 175.4310 17 I 4.0035 6.5677 114.8408 60.3162 38.0429 175.0173 18 H 4.0904 7.5499 114.6041 57.8085 26.5507 175.0558 19 L 4.6510 7.9212 118.1642 53.9245 42.5448 179.3211 20 G 3.6051 8.0644 107.5111 47.3949 0.0000 174.9398 21 E 4.0907 8.0336 118.2344 58.7227 29.9626 177.5874 22 H 4.8666 7.9850 116.5545 56.0640 29.3001 176.9140 23 R 3.9661 7.7714 119.1688 59.3926 29.0858 178.6337 24 D 4.4193 8.1225 119.1036 57.2175 40.9466 178.7433 25 R 4.0611 8.1161 118.1358 59.4013 30.1677 178.9501 26 F 4.1671 8.6356 117.5729 60.5190 38.8545 177.4069 27 E 3.9332 8.7131 119.2135 59.3939 29.2574 178.5420 28 D 4.4175 8.3630 118.3051 57.4178 40.9397 177.5642 29 H 4.4760 8.0527 113.7399 54.5652 29.3685 174.8887 30 E 3.7195 8.0720 119.4447 57.2522 27.7994 175.4486 31 I 4.0749 7.9956 119.5827 61.1657 37.9518 176.3501 32 E 4.8925 8.5400 124.8950 54.3799 31.9937 177.1857 33 G 3.7175 8.7930 106.8486 48.4359 0.0000 175.7622 34 A 3.9402 7.9251 121.4305 55.0357 18.5641 178.8202 35 H 4.4431 8.0928 114.4217 58.1927 28.8528 177.6160 36 L 4.0893 7.8952 121.3163 57.5987 41.3325 177.8721 37 P 4.2617 0.0000 0.0000 65.1011 31.4027 177.2093 38 A 4.3112 7.6033 118.6932 52.7795 19.1849 177.6702 39 L 3.9933 7.4918 116.4541 54.8040 42.1850 177.5691 40 T 4.5200 8.3581 113.8620 59.7375 72.2876 175.7133 41 K 4.1440 8.5243 120.7849 59.8605 32.1012 178.2039 42 E 3.9820 8.1801 117.2908 59.4229 29.4633 178.7180 43 D 4.1444 7.8012 119.3210 57.2307 40.8256 178.6471 44 F 4.2266 7.8415 118.1638 60.5386 38.8006 177.8615 45 V 3.6236 8.0970 117.9032 66.1562 31.1449 177.7820 46 E 3.9130 7.9810 117.5377 58.8523 29.5011 177.8196 47 L 4.1904 7.5666 116.6166 54.7785 41.9123 177.6640 48 G 4.0468 8.3254 108.4654 45.2613 0.0000 175.1535 49 V 3.9619 7.6529 120.8343 62.1115 29.6595 175.4537 50 T 4.2876 7.9632 111.4747 61.6664 70.1619 176.2738 51 R 4.3852 7.6096 122.9765 54.7875 31.9493 176.7998 52 V 3.6741 8.4885 123.5258 66.2694 31.5840 178.3350 53 G 3.6255 8.0056 104.7426 47.9642 0.0000 175.3266 54 H 4.2604 8.0515 117.9731 58.9002 28.7949 177.9159 55 R 3.6009 7.8701 119.7990 59.0323 29.7350 178.7772 56 E 3.8894 8.2746 119.1958 59.3887 29.5667 178.6953 57 N 4.3350 8.2763 116.5143 56.0118 38.4572 177.5847 58 I 3.6530 7.7306 121.4599 64.2621 37.2236 177.9398 59 E 4.0004 8.2973 120.2430 59.4245 29.2595 178.9627 60 R 3.9537 8.0413 116.6840 59.3764 30.0977 178.6166 61 A 4.3013 8.4266 120.6972 55.0451 18.3016 179.6010 62 L 3.9941 8.4897 117.6700 58.2614 41.5712 179.7019 63 R 3.9732 7.8729 116.3923 59.4431 30.0276 177.8815 64 Q 4.4641 7.5777 116.4280 56.2007 29.5250 175.6340 65 L 4.2601 8.0372 124.5323 54.5306 42.9184 176.1290 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 L 8.04 2.49 0.00 1.15 1.26 0.53 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 7.70 3.78 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 4 L 8.41 4.31 0.00 1.73 1.88 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5 W 8.36 4.59 0.00 3.44 3.07 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 6 S 8.91 4.79 0.00 4.13 4.10 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 7 K 8.16 4.61 0.00 1.84 1.98 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.55 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.89 0.21 7.81 8 F 7.62 4.37 0.00 3.13 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 9 D 8.12 4.24 0.00 2.90 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 0.00 0.00 0.00 0.00 10 V 8.05 3.93 2.44 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 1.46 0.00 0.00 1.23 0.00 0.00 11 G 8.14 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.37 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.08 4.13 0.00 2.94 3.37 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 14 L 8.30 3.47 0.00 1.71 1.64 0.13 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.16 3.95 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 16 S 8.20 4.14 0.00 3.95 4.14 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 17 I 6.57 4.00 1.55 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.25 0.48 0.00 0.00 18 H 7.55 4.09 0.00 3.24 3.38 0.00 5.79 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.92 4.65 0.00 1.44 1.48 0.69 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.06 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.03 4.09 0.00 2.05 2.02 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 0.00 2.00 1.91 0.00 22 H 7.99 4.87 0.00 3.12 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.77 3.97 0.00 2.10 2.16 0.00 2.84 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 24 D 8.12 4.42 0.00 2.78 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 25 R 8.12 4.06 0.00 2.03 2.27 0.00 3.46 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 26 F 8.64 4.17 0.00 3.24 3.23 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 0.00 0.00 0.00 0.00 27 E 8.71 3.93 0.00 2.20 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 0.00 2.33 2.17 0.00 28 D 8.36 4.42 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.05 4.48 0.00 3.19 3.25 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.07 3.72 0.00 2.07 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 2.21 2.23 0.00 31 I 8.00 4.07 2.10 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 1.07 0.00 0.00 32 E 8.54 4.89 0.00 1.73 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 2.29 2.24 0.00 33 G 8.79 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 34 A 7.93 3.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.09 4.44 0.00 3.33 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.90 4.09 0.00 1.67 1.81 0.66 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.26 0.00 2.00 2.09 0.00 3.78 0.00 0.00 3.65 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 38 A 7.60 4.31 1.24 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 0.00 0.00 0.00 39 L 7.49 3.99 0.00 1.04 0.55 0.68 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.36 4.52 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 41 K 8.52 4.14 0.00 1.93 1.91 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.59 7.81 42 E 8.18 3.98 0.00 2.17 2.19 0.00 0.00 0.00 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 2.33 0.00 43 D 7.80 4.14 0.00 2.47 2.37 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 44 F 7.84 4.23 0.00 3.29 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 45 V 8.10 3.62 2.26 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 1.11 0.00 0.00 1.00 0.00 0.00 46 E 7.98 3.91 0.00 2.06 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 2.23 2.32 0.00 47 L 7.57 4.19 0.00 1.70 1.36 -0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.33 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.65 3.96 2.30 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 0.78 0.00 0.00 1.14 0.00 0.00 50 T 7.96 4.29 4.26 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 0.00 0.00 0.00 1.25 0.00 0.00 51 R 7.61 4.39 0.00 1.56 1.71 0.00 2.98 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 52 V 8.49 3.67 2.07 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 1.04 0.00 0.00 0.93 0.00 0.00 53 G 8.01 3.63 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 0.00 0.00 0.00 54 H 8.05 4.26 0.00 3.34 3.30 0.00 5.65 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 55 R 7.87 3.60 0.00 1.94 1.79 0.00 3.21 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.76 0.00 56 E 8.27 3.89 0.00 2.17 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 0.00 2.30 2.39 0.00 57 N 8.28 4.34 0.00 2.72 2.77 0.00 0.00 7.04 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 58 I 7.73 3.65 1.76 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.56 1.12 0.00 0.00 59 E 8.30 4.00 0.00 2.09 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 2.34 2.44 0.00 60 R 8.04 3.95 0.00 1.99 2.02 0.00 3.23 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 61 A 8.43 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.49 3.99 0.00 2.01 1.77 1.11 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.87 3.97 0.00 1.99 2.05 0.00 3.18 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 64 Q 7.58 4.46 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 65 L 8.04 4.26 0.00 1.59 1.25 0.63 1.05 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