NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 V 3.8795 8.0544 120.3895 62.3682 32.7516 175.2443 23 D 4.1537 8.4120 126.0101 53.4710 41.4638 174.9593 24 A 3.7718 8.3051 130.4063 55.0854 18.8781 178.3136 25 E 2.5400 7.5179 115.1770 58.9310 29.2614 178.8303 26 A 3.7930 8.5958 122.2852 54.7372 18.3711 179.3317 27 V 3.4394 7.7988 117.0195 66.4744 31.5032 178.4572 28 V 3.4776 7.3857 117.6111 65.8908 31.1755 177.5520 29 Q 4.2126 8.0959 114.5420 57.3014 28.4934 176.5883 30 Q 4.5103 7.6159 117.2950 54.4283 31.5679 175.5466 31 K 4.5062 8.5020 115.3851 57.0233 34.2414 176.7992 32 C 4.7165 8.0519 115.9914 61.0458 29.8718 175.9359 33 I 3.8898 7.9308 114.0804 64.4131 36.4386 177.9050 34 S 4.1098 7.9346 115.4356 61.2723 62.8756 175.2513 35 C 4.6655 7.8557 116.6562 61.4936 30.0725 175.8819 36 H 4.3747 8.5235 117.3513 56.2634 28.4262 176.7444 37 G 4.3025 8.2166 106.5627 45.2846 0.0000 174.3648 38 G 3.8836 8.7000 109.3041 48.9638 0.0000 174.5720 39 D 4.5660 8.1379 118.0502 53.4935 41.3039 177.0100 40 L 4.1128 8.3765 119.4555 56.0583 39.5628 176.2222 41 T 4.0144 7.3715 109.2340 62.6862 69.2797 175.2308 42 G 4.3989 8.1628 110.8543 46.2478 0.0000 172.7050 43 A 4.0087 7.2764 125.3428 53.9435 18.8615 178.2793 44 S 4.4873 7.6343 114.6340 57.5760 64.2747 174.0722 45 A 4.6553 7.2871 122.9654 49.4366 22.0491 173.9111 46 P 4.6341 0.0000 0.0000 61.9795 32.0773 176.1721 47 A 4.2247 8.4961 122.5332 52.6392 18.3889 177.4786 48 I 4.3919 8.3002 115.4584 60.3539 38.7821 177.0089 49 D 4.2889 8.3390 121.8381 56.1231 39.1238 177.5557 50 K 4.2718 7.8037 116.1759 55.8083 32.9050 177.5100 51 A 3.8011 8.1396 123.9502 55.2270 17.8460 180.3488 52 G 3.7102 7.9139 102.6501 47.5768 0.0000 175.3803 53 A 4.1073 7.7833 122.6919 55.0343 18.5860 179.2255 54 N 4.3029 7.7380 113.3164 55.0359 38.9709 174.8580 55 Y 5.1048 7.5729 115.0944 55.8524 41.9360 175.6968 56 S 4.7332 8.3126 117.3065 57.0595 65.9253 175.1389 57 E 4.0016 8.7351 122.1799 59.8927 28.8347 178.8337 58 E 3.9302 8.3045 117.8585 59.5201 29.2193 178.7750 59 E 3.8871 8.1673 119.5235 58.7698 29.6364 179.4834 60 I 3.7309 7.8117 119.4383 64.2414 37.1327 177.8958 61 L 3.9271 8.4927 121.4895 58.5958 41.8196 178.7389 62 D 4.3542 8.3696 118.6218 57.5717 40.8295 178.9675 63 I 3.9434 7.8852 121.7602 63.8169 36.9919 178.5306 64 I 3.7153 8.2830 120.9239 64.5412 36.7707 178.5697 65 L 3.9984 8.0354 118.5613 57.1666 41.3586 178.5579 66 N 4.6932 8.9935 116.2430 57.2108 39.7368 174.3189 67 G 3.8578 7.6286 104.9433 45.1885 0.0000 171.7617 68 Q 4.2491 8.7215 115.7815 56.5191 33.9662 175.6368 69 G 3.8975 9.1502 115.0365 46.8118 0.0000 175.7016 70 G 3.6878 9.0884 113.9878 47.0456 0.0000 173.6348 71 M 4.1760 8.4621 122.3709 54.6528 32.7613 175.2035 72 P 4.0183 0.0000 0.0000 64.2207 31.5220 177.8538 73 G 4.0083 7.6073 102.4298 46.9219 0.0000 173.4195 74 G 4.3856 8.9165 105.8138 46.1868 0.0000 176.1610 75 I 3.6268 7.3601 122.1273 63.2425 37.2598 176.5527 76 A 4.7961 7.3337 118.9118 50.1378 21.8942 175.0320 77 K 4.6515 8.2740 118.7417 55.8481 36.7664 178.4869 78 G 3.6100 8.5905 108.2168 45.5222 0.0000 175.6704 79 A 4.0032 8.8081 121.2545 55.7274 17.9673 178.8006 80 E 3.8407 8.3303 115.7674 60.0643 29.5697 179.4403 81 A 4.0405 7.8458 119.7157 55.0600 18.1327 179.2307 82 E 3.8694 8.6857 117.3529 59.5611 29.5342 179.3053 83 A 4.0538 8.3428 120.8932 55.7865 18.5121 179.0810 84 V 3.5533 8.2068 116.0637 66.8438 31.3694 177.7458 85 A 4.0495 8.9851 119.6438 55.2785 18.3651 179.3592 86 A 3.9376 8.3008 119.2074 55.2268 18.3015 179.4614 87 W 4.1243 8.3698 125.5740 60.6638 30.9692 177.8058 88 L 3.1916 8.7712 118.7616 57.5670 40.8962 179.1360 89 A 3.8989 8.0194 119.5932 55.3980 18.0964 179.0311 90 E 3.9527 8.2614 117.0925 58.3597 29.5168 178.3157 91 K 3.8370 7.3697 118.6627 57.9083 32.2092 176.4754 92 K 4.0322 7.2557 121.6217 57.4000 32.6152 176.6346 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 22 V 8.05 3.88 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 0.97 0.00 0.00 0.96 0.00 0.00 23 D 8.41 4.15 0.00 2.78 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 24 A 8.31 3.77 1.23 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 0.00 0.00 25 E 7.52 2.54 0.00 2.03 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 2.40 2.25 0.00 26 A 8.60 3.79 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 27 V 7.80 3.44 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 1.07 0.00 0.00 0.90 0.00 0.00 28 V 7.39 3.48 1.16 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 1.19 0.00 0.00 0.73 0.00 0.00 29 Q 8.10 4.21 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 30 Q 7.62 4.51 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 31 K 8.50 4.51 0.00 1.85 1.78 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.46 7.81 32 C 8.05 4.72 0.00 3.05 2.98 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 33 I 7.93 3.89 1.89 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 1.80 1.20 1.10 0.00 0.00 34 S 7.93 4.11 0.00 3.87 4.02 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 0.00 0.00 0.00 35 C 7.86 4.67 0.00 2.85 2.86 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 36 H 8.52 4.37 0.00 3.31 3.39 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.22 4.30 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 0.00 38 G 8.70 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 39 D 8.14 4.57 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.38 4.11 0.00 1.93 1.82 1.13 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.37 4.01 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 1.27 0.00 0.00 42 G 8.16 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 0.00 0.00 0.00 0.00 43 A 7.28 4.01 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 44 S 7.63 4.49 0.00 3.93 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 45 A 7.29 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.63 0.00 2.24 2.11 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 47 A 8.50 4.22 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 48 I 8.30 4.39 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.01 1.00 0.00 0.00 49 D 8.34 4.29 0.00 2.84 3.01 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 50 K 7.80 4.27 0.00 1.79 1.73 0.00 1.51 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.38 7.81 51 A 8.14 3.80 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 52 G 7.91 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 4.11 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 54 N 7.74 4.30 0.00 1.87 1.95 0.00 0.00 6.68 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 55 Y 7.57 5.10 0.00 2.94 2.67 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 56 S 8.31 4.73 0.00 3.93 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 57 E 8.74 4.00 0.00 2.22 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 0.00 2.38 2.41 0.00 58 E 8.30 3.93 0.00 2.21 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 0.00 2.38 2.43 0.00 59 E 8.17 3.89 0.00 2.17 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 2.38 2.32 0.00 60 I 7.81 3.73 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.83 1.00 0.00 0.00 61 L 8.49 3.93 0.00 1.84 1.94 0.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.37 4.35 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.89 3.94 2.11 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.98 1.00 0.00 0.00 64 I 8.28 3.72 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 0.99 0.00 0.00 65 L 8.04 4.00 0.00 1.76 1.74 0.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.99 4.69 0.00 2.79 2.83 0.00 0.00 7.22 7.90 0.00 0.00 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 G 7.63 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 68 Q 8.72 4.25 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 5.64 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 69 G 9.15 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.09 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.46 4.18 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 72 P 0.00 4.02 0.00 2.22 2.17 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 73 G 7.61 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 0.00 0.00 0.00 74 G 8.92 4.39 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 0.00 75 I 7.36 3.63 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 0.87 0.97 0.00 0.00 76 A 7.33 4.80 1.23 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 0.00 0.00 77 K 8.27 4.65 0.00 1.82 1.74 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.43 7.81 78 G 8.59 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 79 A 8.81 4.00 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 80 E 8.33 3.84 0.00 2.28 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 2.38 2.42 0.00 81 A 7.85 4.04 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 82 E 8.69 3.87 0.00 2.00 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 0.00 2.35 2.48 0.00 83 A 8.34 4.05 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 84 V 8.21 3.55 2.32 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 1.07 0.00 0.00 0.92 0.00 0.00 85 A 8.99 4.05 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 86 A 8.30 3.94 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 87 W 8.37 4.12 0.00 3.25 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.77 3.19 0.00 2.04 1.66 1.24 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.02 3.90 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 90 E 8.26 3.95 0.00 2.06 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 2.26 2.44 0.00 91 K 7.37 3.84 0.00 1.22 1.51 0.00 1.79 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.85 0.21 7.81 92 K 7.26 4.03 0.00 1.89 1.66 0.00 1.64 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.31 7.81