NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4635 8.3193 115.4263 58.2677 64.4878 174.1595 16 I 3.3397 7.2282 114.0404 58.6386 37.7564 172.3750 17 R 4.1479 9.1162 125.3156 55.2038 30.0622 179.6779 18 L 3.4869 8.0498 122.6023 52.0800 42.7287 175.1317 19 P 4.2750 0.0000 0.0000 62.2273 31.9906 177.5924 20 A 3.9381 8.8197 125.0631 55.8988 18.3061 179.4737 21 H 4.1759 8.2129 113.3611 58.3068 30.0579 175.6322 22 L 4.5515 8.0291 117.9644 54.6649 41.7464 177.2943 23 R 4.2234 7.7229 117.4954 56.9294 30.2168 176.8897 24 L 4.4282 7.6607 118.4151 54.5366 41.8708 176.5628 25 Q 3.9418 8.6026 118.3096 55.3103 29.3721 176.0190 26 P 2.0000 0.0000 0.0000 64.9749 31.4632 178.2566 27 I 3.3192 7.1741 116.8862 63.8328 37.7780 175.7544 28 Y 4.6689 7.6382 115.5551 57.5552 38.0258 175.4517 29 W 4.6917 8.0536 122.6157 56.4928 29.9443 176.6759 30 S 4.8186 9.1279 118.9366 57.5187 65.1426 175.4568 31 R 4.6350 8.3873 122.2129 59.1473 29.7561 177.6467 32 D 4.3770 8.1166 117.4555 57.5520 41.3062 177.8653 33 D 4.2816 8.2510 119.3906 57.0520 40.6742 179.0107 34 V 3.6852 7.7241 118.5705 65.8652 31.5965 177.9765 35 A 4.0544 7.9459 120.0739 55.4196 18.2827 179.6037 36 Q 4.0041 8.1080 116.5765 58.7546 28.6172 179.0627 37 W 4.1570 8.1226 129.4558 60.3673 30.7416 177.9828 38 L 3.4943 8.0302 118.9614 57.6310 41.1527 179.6557 39 K 3.8858 8.0167 118.2607 59.1600 31.9765 179.0970 40 W 4.0852 8.3109 128.2746 60.5288 30.6411 177.8757 41 A 3.5004 8.1962 121.0053 54.8514 17.7119 179.0913 42 E 3.7493 8.3574 118.3059 59.3228 29.5433 178.6251 43 N 4.1232 7.8271 116.6975 56.6368 38.9856 176.5917 44 E 3.5341 7.7279 119.8289 58.0501 29.4165 177.3439 45 F 4.5009 7.4709 114.8439 56.1306 39.9023 175.2774 46 S 3.5976 7.4752 114.8357 59.4926 60.6362 172.2361 47 L 4.4302 7.5427 118.3009 53.4140 43.0589 177.3631 48 R 4.2018 8.0677 119.1442 54.8406 30.7804 174.9865 49 P 4.3381 0.0000 0.0000 63.4460 31.6159 176.2388 50 I 4.4055 8.1669 122.4916 59.1487 39.3347 174.8833 51 D 4.5180 8.6167 126.0934 53.8876 41.9290 177.1650 52 S 4.2653 8.8905 122.7525 61.9611 63.0531 175.9246 53 N 4.7164 8.4951 113.0862 54.8697 37.9149 175.3357 54 T 4.4230 7.8487 114.9670 63.9750 70.0671 174.6923 55 F 4.8289 8.4875 120.0286 56.6764 39.6099 177.2966 56 E 4.3619 8.0825 120.5000 55.4053 28.2976 176.2717 57 M 4.4482 7.8342 119.5811 54.5733 33.9206 174.5572 58 N 5.2612 8.1898 117.1897 51.4170 40.0312 175.7943 59 G 3.6300 9.0067 104.3937 47.8697 0.0000 175.9393 60 K 3.8166 8.1429 119.3602 59.3937 32.3754 178.7199 61 A 4.1097 8.2370 120.8530 54.9010 18.3011 179.1055 62 L 3.9547 7.8387 118.9863 58.6324 41.9460 179.2492 63 L 4.1305 7.8481 116.4466 56.8765 41.5280 178.6361 64 L 4.3061 8.0111 118.5604 55.2877 42.2846 177.2910 65 L 4.3141 7.5314 119.5477 54.9051 42.2746 177.5612 66 T 4.5801 9.5799 114.6826 60.0925 71.8107 175.9148 67 K 3.3074 7.8111 121.3708 59.6519 31.9091 177.8677 68 E 3.9212 8.1135 118.7308 59.5952 29.5103 178.3398 69 D 4.4289 7.8076 118.1676 57.3510 40.8723 178.9321 70 F 4.0740 8.6458 118.2104 60.7637 38.6841 177.5311 71 R 4.2844 8.9307 118.7072 59.9920 29.4765 177.8269 72 Y 4.1110 8.4721 118.7761 60.6402 38.8694 177.5928 73 R 4.0911 7.7050 117.7519 57.4811 30.8170 176.5159 74 S 4.4805 8.7903 113.4582 55.7884 63.4904 172.1460 75 P 4.4459 0.0000 0.0000 65.1711 31.5159 178.1902 76 H 4.3947 8.3007 113.4448 58.8842 28.8753 177.2558 77 S 4.6682 8.1447 114.0022 59.1070 63.0538 176.3254 78 G 4.2199 8.7472 109.8268 48.4112 0.0000 175.0719 79 D 4.4507 8.2268 121.0347 57.0299 40.8980 179.1720 80 R 3.9227 7.9684 118.3749 59.1477 30.1100 178.3217 81 L 3.8686 8.3521 119.4763 57.6829 41.5771 178.5568 82 Y 3.0788 8.0452 119.7127 60.7129 38.7193 178.3011 83 E 3.7970 8.1843 119.2703 59.0538 29.5052 179.0308 84 L 3.9346 8.0691 120.7118 58.0920 42.1121 178.7994 85 L 3.9504 8.1477 120.1732 58.2955 41.9136 178.7957 86 Q 3.7668 7.7369 117.9795 59.2027 28.5615 178.4863 87 H 4.1192 8.6744 119.3364 59.4510 29.6974 177.2186 88 I 3.5228 7.4557 120.1499 64.2929 36.9601 178.2086 89 L 4.0173 7.6418 121.0856 58.2758 41.5939 179.8668 90 K 4.0348 8.1645 122.4371 60.5137 31.7666 179.0451 91 Q 4.3529 7.8739 124.1380 55.7184 28.9980 176.7681 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 15 S 8.32 4.46 0.00 4.03 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 16 I 7.23 3.34 2.22 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.61 1.03 0.00 0.00 17 R 9.12 4.15 0.00 2.00 2.04 0.00 3.26 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.19 0.00 18 L 8.05 3.49 0.00 1.42 1.15 1.08 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.28 0.00 2.06 1.93 0.00 3.03 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 20 A 8.82 3.94 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 21 H 8.21 4.18 0.00 3.06 3.31 0.00 5.88 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.03 4.55 0.00 1.35 1.30 0.69 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.72 4.22 0.00 1.76 1.98 0.00 3.14 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 24 L 7.66 4.43 0.00 1.87 1.73 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.60 3.94 0.00 2.17 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 26 P 0.00 2.00 0.00 1.47 0.80 0.00 3.17 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.79 0.00 27 I 7.17 3.32 1.44 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.19 -0.29 0.00 0.00 28 Y 7.64 4.67 0.00 3.10 2.95 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 0.00 0.00 0.00 29 W 8.05 4.69 0.00 3.49 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 30 S 9.13 4.82 0.00 4.11 4.08 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 31 R 8.39 4.64 0.00 1.96 2.02 0.00 3.28 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 32 D 8.12 4.38 0.00 2.85 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 33 D 8.25 4.28 0.00 2.91 2.14 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 34 V 7.72 3.69 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 1.28 0.00 0.00 1.25 0.00 0.00 35 A 7.95 4.05 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 36 Q 8.11 4.00 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 37 W 8.12 4.16 0.00 2.88 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 38 L 8.03 3.49 0.00 1.85 1.52 0.67 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.02 3.89 0.00 2.03 1.88 0.00 1.53 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 40 W 8.31 4.09 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 41 A 8.20 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.36 3.75 0.00 2.00 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 2.35 2.44 0.00 43 N 7.83 4.12 0.00 2.76 2.71 0.00 0.00 6.84 7.34 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 44 E 7.73 3.53 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 1.47 1.47 0.00 45 F 7.47 4.50 0.00 2.96 2.90 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 46 S 7.48 3.60 0.00 3.91 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 47 L 7.54 4.43 0.00 1.59 1.56 0.78 0.86 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 48 R 8.07 4.20 0.00 1.78 1.84 0.00 3.07 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 49 P 0.00 4.34 0.00 2.03 2.01 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 50 I 8.17 4.41 1.81 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 1.30 0.76 0.88 0.00 0.00 51 D 8.62 4.52 0.00 2.74 2.60 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 52 S 8.89 4.27 0.00 3.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 4.72 0.00 2.92 2.89 0.00 0.00 6.82 7.54 0.00 0.00 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 T 7.85 4.42 4.73 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 1.18 0.00 0.00 55 F 8.49 4.83 0.00 2.94 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.36 0.00 2.00 1.97 0.00 0.00 0.00 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 2.36 0.00 57 M 7.83 4.45 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 58 N 8.19 5.26 0.00 3.29 3.09 0.00 0.00 5.81 6.94 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 59 G 9.01 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 60 K 8.14 3.82 0.00 1.90 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.48 7.81 61 A 8.24 4.11 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 62 L 7.84 3.95 0.00 2.04 1.82 1.22 0.68 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 63 L 7.85 4.13 0.00 1.73 1.64 0.68 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.01 4.31 0.00 1.77 1.73 0.91 0.85 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 65 L 7.53 4.31 0.00 2.01 1.67 0.46 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 66 T 9.58 4.58 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 1.24 0.00 0.00 67 K 7.81 3.31 0.00 0.79 1.50 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.55 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.19 7.81 68 E 8.11 3.92 0.00 2.01 1.93 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 2.40 2.35 0.00 69 D 7.81 4.43 0.00 3.10 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 70 F 8.65 4.07 0.00 3.49 3.43 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 71 R 8.93 4.28 0.00 2.13 2.19 0.00 3.12 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 72 Y 8.47 4.11 0.00 2.93 3.19 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 0.00 0.00 0.00 73 R 7.70 4.09 0.00 1.69 1.61 0.00 2.32 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.60 0.00 74 S 8.79 4.48 0.00 3.97 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 75 P 0.00 4.45 0.00 1.96 2.05 0.00 3.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 76 H 8.30 4.39 0.00 3.18 3.35 0.00 5.69 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 77 S 8.14 4.67 0.00 3.95 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 78 G 8.75 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 0.00 0.00 0.00 0.00 79 D 8.23 4.45 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.97 3.92 0.00 1.85 1.83 0.00 3.14 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 81 L 8.35 3.87 0.00 2.15 2.02 0.96 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.05 3.08 0.00 2.71 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 83 E 8.18 3.80 0.00 2.01 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 2.61 2.51 0.00 84 L 8.07 3.93 0.00 1.59 1.98 1.04 0.46 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 85 L 8.15 3.95 0.00 1.80 1.56 0.37 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.74 3.77 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 1.71 2.16 0.00 87 H 8.67 4.12 0.00 3.22 3.54 0.00 5.79 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 88 I 7.46 3.52 1.94 0.00 0.00 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 1.67 1.04 0.82 0.00 0.00 89 L 7.64 4.02 0.00 1.67 1.59 0.73 0.67 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 90 K 8.16 4.03 0.00 1.84 1.74 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.33 7.81 91 Q 7.87 4.35 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00