NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3287 8.2644 123.5814 51.6878 20.6060 177.3167 2 K 4.1192 7.9340 113.9627 53.8932 34.2800 173.2977 3 T 3.8460 7.9644 108.3847 60.9188 70.3164 170.5736 4 I 4.1306 7.5265 117.9203 60.3340 41.5617 173.0301 5 K 4.9436 8.6259 129.4329 56.1229 33.7088 175.9949 6 I 5.0736 9.0803 124.3443 60.2051 41.5189 174.5651 7 T 4.8921 8.5510 119.1265 62.6415 72.9443 175.3978 8 Q 3.8488 8.8601 123.5469 57.4201 29.3232 178.3099 9 T 3.7196 9.0260 114.7701 62.6079 67.3863 171.6545 10 R 4.5344 8.3393 118.1015 54.6313 33.2610 174.0994 11 S 4.1989 8.6904 118.8333 58.9684 62.6423 173.4735 12 A 4.7562 8.2079 121.3465 51.6558 19.1019 177.3132 13 I 3.7187 7.4200 120.1577 64.2421 37.3188 177.7504 14 G 3.8382 8.1855 115.0059 47.5302 0.0000 173.5137 15 R 4.2797 8.1306 119.1854 55.4736 30.9999 177.0318 16 L 4.2261 8.3110 119.2136 53.9251 43.5495 176.5346 17 P 4.2606 0.0000 0.0000 66.0492 31.3423 178.8009 18 K 3.8867 8.1673 116.3941 59.9750 31.9858 178.5778 19 H 4.1282 7.9964 115.3640 59.6505 28.7887 176.8307 20 K 3.7725 8.4791 119.2012 59.8104 32.0820 178.8007 21 A 3.9847 8.5390 120.4437 55.9899 18.2831 180.0101 22 T 3.8326 8.3879 114.3094 66.6569 68.5614 176.6461 23 L 3.9188 8.2780 121.4761 58.1761 41.7648 179.6446 24 L 4.1039 8.0097 119.8475 57.9869 41.7621 179.1129 25 G 3.6788 7.7631 104.4488 46.9775 0.0000 174.9816 26 L 4.3281 8.0810 119.5441 54.1055 42.4082 176.6159 27 G 3.8846 7.7764 107.0240 46.4320 0.0000 174.1938 28 L 4.5829 7.7693 119.2394 53.1401 42.6276 177.4078 29 R 4.1545 8.5472 123.2529 58.2152 30.7274 177.1293 30 R 4.6996 7.3692 114.9150 53.6025 34.2698 174.4151 31 I 3.6464 8.3881 112.9760 62.9740 37.4024 175.8521 32 G 3.8461 8.8951 112.3556 46.9874 0.0000 174.6549 33 H 4.2127 8.1936 120.7253 58.5050 30.0550 171.8255 34 T 4.0571 8.5831 122.6312 62.6938 68.4433 171.2921 35 V 4.4829 7.7785 123.5622 60.6912 35.3855 172.6219 36 E 5.0896 8.6458 120.2916 54.7660 31.4352 175.9290 37 R 4.7923 8.7690 122.7871 53.8697 34.6526 174.9733 38 E 4.3962 8.7226 120.5548 55.8441 30.3208 176.9445 39 D 4.6006 8.2028 122.0772 54.3444 41.3032 176.9786 40 T 4.2093 7.5266 113.3019 61.0453 69.9474 171.7422 41 P 4.2425 0.0000 0.0000 65.7317 31.0987 178.7653 42 A 3.9759 7.9629 119.2324 55.1666 18.4989 179.2111 43 I 3.9223 7.6297 109.5966 62.7355 38.0241 177.7589 44 R 4.0735 7.9090 121.2426 59.0318 29.9027 178.2556 45 G 3.6422 8.5564 106.2558 47.9568 0.0000 175.5445 46 M 4.0422 7.7743 120.8851 58.2351 32.0675 178.4589 47 I 3.5690 7.6380 119.8559 64.9196 37.2422 177.2632 48 N 4.2272 8.4484 117.1049 56.9386 38.4546 176.2247 49 A 4.1132 7.8136 121.5023 55.0153 18.7299 179.5368 50 V 3.9060 7.4846 109.3491 60.8880 32.4285 178.1628 51 S 4.0787 8.8826 117.7693 60.5483 62.5556 175.3025 52 F 4.6270 7.5285 113.0483 57.6627 38.0275 175.2095 53 M 4.9078 7.1926 119.7149 54.0468 30.7471 175.5280 54 V 4.5650 7.6343 109.8603 61.6161 36.0838 173.4137 55 K 4.7442 8.8687 126.7377 54.6908 34.8046 175.2223 56 V 4.9003 8.1833 124.2668 60.0249 34.3896 174.2442 57 E 4.7852 9.2014 124.4221 54.2156 32.5047 176.1928 58 E 4.2345 8.7569 121.2635 56.3599 29.8860 175.6885 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 A 8.26 4.33 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 2 K 7.93 4.12 0.00 1.75 1.79 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.54 7.81 3 T 7.96 3.85 4.23 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 1.20 0.00 0.00 4 I 7.53 4.13 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.06 0.96 0.00 0.00 5 K 8.63 4.94 0.00 1.80 1.67 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.44 7.81 6 I 9.08 5.07 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.76 0.88 0.00 0.00 7 T 8.55 4.89 4.22 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 1.21 0.00 0.00 8 Q 8.86 3.85 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 5.81 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 9 T 9.03 3.72 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 10 R 8.34 4.53 0.00 1.75 1.77 0.00 3.51 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 11 S 8.69 4.20 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.76 1.26 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 0.00 0.00 0.00 13 I 7.42 3.72 1.89 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 1.24 0.53 0.92 0.00 0.00 14 G 8.19 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.13 4.28 0.00 2.01 2.04 0.00 3.30 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 16 L 8.31 4.23 0.00 1.51 1.51 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.26 0.00 2.15 2.11 0.00 3.59 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 2.19 0.00 18 K 8.17 3.89 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 19 H 8.00 4.13 0.00 3.44 3.46 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 20 K 8.48 3.77 0.00 2.11 1.85 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.53 7.81 21 A 8.54 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 22 T 8.39 3.83 4.47 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 1.20 0.00 0.00 23 L 8.28 3.92 0.00 1.87 1.74 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.01 4.10 0.00 1.73 1.85 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.76 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.08 4.33 0.00 1.89 1.71 0.88 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.78 3.88 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 0.00 0.00 0.00 28 L 7.77 4.58 0.00 1.65 1.64 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.55 4.15 0.00 1.53 1.87 0.00 3.26 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 30 R 7.37 4.70 0.00 1.84 1.74 0.00 3.17 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 I 8.39 3.65 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 1.35 0.53 0.92 0.00 0.00 32 G 8.90 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 0.00 0.00 0.00 33 H 8.19 4.21 0.00 3.28 3.35 0.00 6.07 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.58 4.06 4.18 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 1.21 0.00 0.00 35 V 7.78 4.48 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 0.74 0.00 0.00 0.91 0.00 0.00 36 E 8.65 5.09 0.00 1.82 1.88 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 2.18 2.27 0.00 37 R 8.77 4.79 0.00 1.75 1.75 0.00 3.16 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 38 E 8.72 4.40 0.00 1.83 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 2.31 2.37 0.00 39 D 8.20 4.60 0.00 2.63 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 40 T 7.53 4.21 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 1.23 0.00 0.00 41 P 0.00 4.24 0.00 2.19 2.11 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 42 A 7.96 3.98 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 43 I 7.63 3.92 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.76 0.91 0.00 0.00 44 R 7.91 4.07 0.00 2.07 2.12 0.00 3.14 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 45 G 8.56 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.77 4.04 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.58 0.00 47 I 7.64 3.57 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.87 0.00 0.00 48 N 8.45 4.23 0.00 2.81 2.98 0.00 0.00 7.16 9.01 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 49 A 7.81 4.11 1.42 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 0.00 0.00 0.00 50 V 7.48 3.91 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 0.81 0.00 0.00 0.83 0.00 0.00 51 S 8.88 4.08 0.00 3.86 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 52 F 7.53 4.63 0.00 3.17 3.24 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 53 M 7.19 4.91 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.41 0.00 54 V 7.63 4.56 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 0.46 0.00 0.00 0.82 0.00 0.00 55 K 8.87 4.74 0.00 1.82 1.62 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.34 7.81 56 V 8.18 4.90 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 0.78 0.00 0.00 0.98 0.00 0.00 57 E 9.20 4.79 0.00 1.89 1.85 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 2.19 2.20 0.00 58 E 8.76 4.23 0.00 2.04 1.88 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 2.16 2.25 0.00