NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4583 8.1749 111.0783 61.7211 70.6806 172.3778 3 I 4.2842 8.4426 123.2617 58.7492 39.5852 173.0716 4 Q 4.9470 9.5242 129.3480 54.4623 31.0715 174.0376 5 L 4.8673 9.1274 126.8256 53.2607 45.2798 175.5388 6 T 4.8092 8.3505 118.8110 62.4436 70.8364 173.9872 7 V 4.5965 8.7625 126.5053 60.0837 31.9249 173.9730 8 P 4.3233 0.0000 0.0000 64.8789 31.6065 177.5337 9 T 4.3303 7.8408 105.7455 61.7054 69.0583 175.4596 10 I 3.9606 7.5180 123.4860 61.4039 35.4615 175.1920 11 A 4.2801 8.4346 128.8802 54.1236 19.4101 177.0889 12 C 4.6924 7.4881 109.3334 56.2096 33.7784 174.2018 13 E 3.9032 8.7701 119.5906 59.3622 29.0887 178.3438 14 A 3.9903 7.9724 120.4884 55.2598 18.4641 179.2817 15 C 4.1858 8.2997 115.9259 62.2506 28.2832 175.8065 16 A 3.8402 7.9900 122.3972 55.1275 17.8571 179.1754 17 E 3.8057 8.4323 117.7545 59.4514 29.6539 178.9288 18 A 3.9741 7.7744 120.2096 55.1441 18.4581 179.8628 19 V 3.4125 7.5703 116.7139 66.2519 31.5306 178.2896 20 T 3.8305 7.9088 115.5293 66.6899 68.2961 176.6411 21 K 3.9165 8.2943 120.2129 59.3961 31.5895 179.1543 22 A 3.9899 8.1512 121.0711 55.1630 18.2865 179.9403 23 V 3.3922 7.8696 116.5336 66.4082 31.3976 178.4163 24 Q 4.3112 8.2934 117.4146 58.6021 28.2555 178.2778 25 N 4.5032 8.2418 116.9834 55.5541 38.5787 176.3452 26 E 4.6230 7.4563 118.6565 56.6261 30.6311 175.5427 27 D 4.4609 8.2475 117.7823 52.1743 42.5150 175.3333 28 A 4.2173 8.5015 129.7660 54.3080 18.5928 177.9638 29 Q 4.3315 8.2363 112.8262 55.9873 28.9563 175.7530 30 A 4.6064 7.8502 121.1594 51.9355 19.5235 177.3766 31 T 4.5361 8.5785 111.5940 60.0252 71.3184 173.7529 32 V 4.7850 8.3480 124.3597 61.2332 34.1661 174.2138 33 Q 4.6702 9.1834 127.5105 54.0164 31.4633 174.6777 34 V 4.4001 8.3830 123.7842 61.1357 33.8790 174.5250 35 D 4.6491 9.1219 129.5677 52.7953 40.8189 176.8857 36 L 4.0741 8.5150 126.8606 57.7151 42.1746 179.4086 37 T 4.0607 8.1438 115.0010 66.1203 68.5299 175.5699 38 S 4.3931 8.2385 113.5694 57.8670 64.0214 175.0669 39 K 3.9028 8.4412 122.2339 57.3641 29.9271 175.6216 40 K 4.7225 7.6854 123.6582 54.6333 33.3048 179.5309 41 V 4.7418 9.0610 125.4167 60.6310 34.0232 174.1893 42 T 5.0718 8.8666 125.3870 61.9860 70.7422 173.6046 43 I 4.9009 9.1473 127.3887 59.7624 40.7257 174.6368 44 T 4.7120 8.5244 124.1083 62.3986 70.0117 173.4389 45 S 4.9572 8.2855 119.3046 56.9824 64.9026 174.6264 46 A 4.1483 8.3591 128.4431 54.2214 18.4526 178.3997 47 L 4.2676 7.8025 116.2010 54.3642 42.4779 177.8485 48 G 3.9192 9.5078 109.1099 43.6793 0.0000 174.5497 49 E 4.0047 8.8715 123.2010 60.1587 29.4254 179.6263 50 E 4.0143 8.1304 117.4031 61.3040 29.8820 180.7145 51 Q 4.2237 8.0230 118.8254 58.7375 28.8478 178.7591 52 L 4.0224 8.0421 120.0037 57.8483 41.6125 179.7709 53 R 3.9640 8.5368 118.3772 59.5054 29.9317 179.2956 54 T 3.8466 8.0040 115.2878 66.5337 68.3822 176.5412 55 A 4.0006 8.0401 122.6130 55.3727 18.4775 179.8388 56 I 3.7428 7.9663 118.0497 64.4227 37.1809 178.5493 57 A 4.4438 8.1786 123.1176 54.8708 17.9853 179.9140 58 S 4.1467 8.2294 112.6246 61.2518 62.9680 175.9423 59 A 4.3999 7.5591 121.1921 52.0509 18.5008 177.6711 60 G 3.8258 7.5348 105.8802 45.1449 0.0000 173.5963 61 Y 4.4664 8.2551 117.5101 55.5260 40.2845 174.5859 62 E 4.1698 8.7805 126.4654 55.8107 30.4894 175.9244 63 V 4.1596 8.2427 125.5169 61.7480 32.8415 175.4615 64 E 4.2659 8.8329 125.8584 56.5771 29.4257 175.8328 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 T 8.17 4.46 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 3 I 8.44 4.28 1.87 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 1.11 0.95 0.91 0.00 0.00 4 Q 9.52 4.95 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 5 L 9.13 4.87 0.00 1.55 1.52 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.35 4.81 4.25 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 1.22 0.00 0.00 7 V 8.76 4.60 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 1.12 0.00 0.00 0.93 0.00 0.00 8 P 0.00 4.32 0.00 2.11 2.12 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 9 T 7.84 4.33 4.31 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 1.23 0.00 0.00 10 I 7.52 3.96 1.83 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 0.86 0.58 0.82 0.00 0.00 11 A 8.43 4.28 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.49 4.69 0.00 3.12 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.77 3.90 0.00 2.09 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 2.37 2.43 0.00 14 A 7.97 3.99 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 15 C 8.30 4.19 0.00 3.15 2.83 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 16 A 7.99 3.84 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 17 E 8.43 3.81 0.00 2.06 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 0.00 2.30 2.37 0.00 18 A 7.77 3.97 1.47 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 0.00 0.00 19 V 7.57 3.41 1.83 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 0.91 0.00 0.00 0.26 0.00 0.00 20 T 7.91 3.83 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 1.19 0.00 0.00 21 K 8.29 3.92 0.00 2.07 1.86 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.33 7.81 22 A 8.15 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.39 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 1.02 0.00 0.00 0.96 0.00 0.00 24 Q 8.29 4.31 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 25 N 8.24 4.50 0.00 2.91 2.89 0.00 0.00 6.95 7.18 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 26 E 7.46 4.62 0.00 1.90 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 2.46 2.45 0.00 27 D 8.25 4.46 0.00 2.69 2.49 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 28 A 8.50 4.22 1.29 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 0.00 0.00 0.00 29 Q 8.24 4.33 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 30 A 7.85 4.61 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 31 T 8.58 4.54 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 32 V 8.35 4.79 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 0.81 0.00 0.00 0.91 0.00 0.00 33 Q 9.18 4.67 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.13 0.00 34 V 8.38 4.40 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.87 0.00 0.00 35 D 9.12 4.65 0.00 2.75 2.64 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 36 L 8.52 4.07 0.00 1.67 1.71 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.14 4.06 4.40 0.00 0.00 0.00 0.00 0.00 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 38 S 8.24 4.39 0.00 3.98 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 39 K 8.44 3.90 0.00 2.01 2.20 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.52 7.81 40 K 7.69 4.72 0.00 1.39 1.68 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.25 7.81 41 V 9.06 4.74 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 0.76 0.00 0.00 0.89 0.00 0.00 42 T 8.87 5.07 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 1.25 0.00 0.00 43 I 9.15 4.90 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 1.21 0.76 0.90 0.00 0.00 44 T 8.52 4.71 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 1.21 0.00 0.00 45 S 8.29 4.96 0.00 3.83 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 A 8.36 4.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 4.27 0.00 1.65 1.61 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.51 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.87 4.00 0.00 2.04 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 2.40 0.00 50 E 8.13 4.01 0.00 2.01 1.94 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 2.31 1.97 0.00 51 Q 8.02 4.22 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 52 L 8.04 4.02 0.00 1.86 1.72 0.92 0.69 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 53 R 8.54 3.96 0.00 1.95 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 54 T 8.00 3.85 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 55 A 8.04 4.00 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 56 I 7.97 3.74 1.91 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 1.09 1.03 0.00 0.00 57 A 8.18 4.44 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 4.15 0.00 4.08 3.96 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 59 A 7.56 4.40 1.48 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 0.00 0.00 60 G 7.53 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 0.00 0.00 0.00 61 Y 8.26 4.47 0.00 3.02 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 62 E 8.78 4.17 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 63 V 8.24 4.16 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 0.95 0.00 0.00 0.96 0.00 0.00 64 E 8.83 4.27 0.00 2.26 1.84 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 2.27 2.11 0.00