NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6185 8.2076 120.5175 54.3889 43.3892 177.3725 2 Y 4.0264 8.0655 118.3263 59.7837 37.7585 176.9029 3 L 3.9859 7.8589 121.6145 57.1921 42.1698 180.6090 4 R 3.9253 7.7652 117.7118 59.2670 30.0755 178.7643 5 E 3.9905 8.3995 118.4717 59.2993 29.4425 179.2890 6 L 4.0439 7.8086 118.8684 57.7072 41.7961 179.3915 7 L 3.9655 8.1042 120.2341 58.1415 42.2073 179.1123 8 K 3.9987 8.3977 118.7762 59.5437 31.5547 179.2841 9 L 4.1124 8.1329 119.0411 57.4367 41.4934 179.1366 10 E 4.2098 8.1794 118.6980 58.7744 29.4666 179.0934 11 L 3.9903 7.8443 119.0198 57.6914 41.7139 178.8902 12 Q 3.9451 7.9828 118.9460 59.3561 28.1690 178.7222 13 A 3.9099 7.7083 120.1807 55.2120 18.4006 179.6211 14 I 4.1020 7.8621 118.4074 64.4534 37.1760 178.0572 15 K 3.8188 8.1678 120.2868 60.2255 31.8537 178.6792 16 Q 3.9738 8.2382 117.6955 59.1683 28.6119 178.5536 17 Y 4.2117 9.3136 118.0808 61.0854 37.8907 178.5443 18 R 3.9739 8.5137 119.4666 59.2145 30.0117 178.9427 19 E 4.0529 8.4505 118.1460 59.4034 29.2119 179.1923 20 A 4.0685 8.2969 120.9354 55.2509 18.4208 179.3601 21 L 4.0388 8.7686 119.1999 58.1814 41.8430 178.7866 22 E 3.8988 8.0674 118.4927 59.5277 29.7772 177.9887 23 Y 4.4212 7.7696 113.6624 59.1777 38.3206 176.2516 24 V 4.4037 7.5089 114.7222 60.8920 34.5003 174.4115 25 K 3.8362 8.0627 118.1272 58.2723 31.8155 175.1683 26 L 4.6934 7.4337 117.3307 53.2386 43.8346 176.3983 27 P 4.2495 0.0000 0.0000 65.5231 31.3104 178.9250 28 V 3.6891 7.7443 117.3951 64.2402 31.3970 178.4353 29 L 3.8475 8.1713 120.0824 57.6891 41.0395 178.7917 30 A 3.9503 8.1029 120.2256 55.3705 17.7029 179.4377 31 K 3.9217 7.8746 117.8424 59.2693 32.2055 179.1981 32 I 3.4542 7.3798 119.9695 64.1080 36.9033 177.7778 33 L 3.7615 7.4065 121.0917 58.3843 41.7917 178.7889 34 E 4.0075 7.6879 117.8115 59.3631 29.5664 178.5282 35 D 4.1411 7.5422 118.5964 57.0990 40.8081 178.5038 36 E 3.9537 7.9821 119.2583 59.4666 29.5329 179.2788 37 E 3.9691 8.3468 118.7935 58.7520 29.3393 179.2995 38 K 3.5495 7.6162 120.1410 59.4196 32.1422 178.3947 39 H 3.9700 8.1555 116.8429 58.9477 28.5474 177.8357 40 I 3.6975 7.6045 121.3969 64.3041 37.0833 178.1502 41 E 3.9461 7.7980 118.8511 59.4479 29.0541 179.5520 42 W 4.5306 8.0955 118.9477 60.0044 28.9959 178.6672 43 L 4.1334 8.4352 119.0298 57.6579 40.8458 179.2385 44 E 4.0845 8.4954 118.1276 59.1555 29.4285 179.0700 45 T 4.0897 7.5938 115.3780 66.6336 68.6070 176.5432 46 I 3.9250 7.4099 120.3720 65.3902 37.6485 177.5665 47 L 4.5409 8.2282 123.7054 56.0167 44.0447 177.0726 48 G 4.2851 8.0459 111.0623 46.0096 0.0000 173.6301 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 D 8.21 4.62 0.00 2.77 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 2 Y 8.07 4.03 0.00 3.34 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 3 L 7.86 3.99 0.00 1.42 1.62 0.70 0.96 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 4 R 7.77 3.93 0.00 2.01 1.96 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 5 E 8.40 3.99 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 6 L 7.81 4.04 0.00 1.92 1.75 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.10 3.97 0.00 1.88 1.83 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.40 4.00 0.00 1.94 1.86 0.00 1.97 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.75 7.81 9 L 8.13 4.11 0.00 1.83 1.74 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.18 4.21 0.00 2.16 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 2.62 2.53 0.00 11 L 7.84 3.99 0.00 1.73 1.72 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.98 3.95 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 13 A 7.71 3.91 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 14 I 7.86 4.10 2.13 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 1.41 0.82 0.92 0.00 0.00 15 K 8.17 3.82 0.00 1.99 1.91 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 16 Q 8.24 3.97 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 17 Y 9.31 4.21 0.00 3.18 2.94 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 0.00 0.00 0.00 18 R 8.51 3.97 0.00 2.09 2.02 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 19 E 8.45 4.05 0.00 2.21 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 2.44 2.40 0.00 20 A 8.30 4.07 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.77 4.04 0.00 1.92 1.72 0.93 1.19 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 22 E 8.07 3.90 0.00 2.38 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 2.17 2.30 0.00 23 Y 7.77 4.42 0.00 2.84 2.94 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 0.00 0.00 0.00 24 V 7.51 4.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.06 0.00 0.00 25 K 8.06 3.84 0.00 2.02 1.91 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.40 7.81 26 L 7.43 4.69 0.00 1.72 1.61 0.94 1.06 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 27 P 0.00 4.25 0.00 2.14 2.10 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 28 V 7.74 3.69 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 0.82 0.00 0.00 0.90 0.00 0.00 29 L 8.17 3.85 0.00 1.91 1.81 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.10 3.95 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 K 7.87 3.92 0.00 1.73 1.75 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.41 7.81 32 I 7.38 3.45 1.29 0.00 0.00 0.75 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 0.48 -0.08 0.00 0.00 33 L 7.41 3.76 0.00 1.77 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.69 4.01 0.00 2.27 1.81 0.00 0.00 0.00 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 2.28 0.00 35 D 7.54 4.14 0.00 2.76 2.40 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 36 E 7.98 3.95 0.00 2.07 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 2.31 2.53 0.00 37 E 8.35 3.97 0.00 2.11 1.89 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 2.27 2.34 0.00 38 K 7.62 3.55 0.00 1.50 1.56 0.00 1.35 0.00 0.00 1.45 0.00 0.00 2.53 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.30 0.80 7.81 39 H 8.16 3.97 0.00 3.29 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.60 3.70 2.07 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 1.52 0.69 0.89 0.00 0.00 41 E 7.80 3.95 0.00 2.02 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 2.34 2.33 0.00 42 W 8.10 4.53 0.00 3.59 3.14 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 43 L 8.44 4.13 0.00 1.73 1.74 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.50 4.08 0.00 2.03 2.03 0.00 0.00 0.00 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 2.35 0.00 45 T 7.59 4.09 4.54 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 0.00 0.00 0.00 1.24 0.00 0.00 46 I 7.41 3.93 2.03 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 1.52 0.68 0.89 0.00 0.00 47 L 8.23 4.54 0.00 1.68 1.54 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.05 4.29 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 0.00