NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2081 8.1744 115.2295 61.9360 69.1177 174.5055 2 V 3.7488 7.7349 118.4048 62.4178 32.2354 173.5815 3 L 4.6947 8.5723 122.6374 53.6779 44.0486 175.1072 4 H 4.8797 8.6952 123.2794 53.9561 32.1024 176.2145 5 V 3.6956 8.1520 121.5187 66.3417 31.3925 178.0057 6 Q 3.9757 8.0670 118.8124 59.3082 28.7504 177.9574 7 E 4.0659 8.1255 118.0507 59.0834 29.8008 178.6722 8 I 4.0129 7.4558 118.5366 63.7455 37.1059 178.1647 9 R 4.0601 7.6230 118.0196 58.5289 30.0609 178.1466 10 D 4.5095 7.7659 117.7423 56.0808 41.1756 177.0064 11 M 4.2495 6.8458 117.6602 55.3615 32.8571 175.7321 12 T 4.4429 8.4657 115.6630 60.2619 68.7850 173.8875 13 P 4.2340 0.0000 0.0000 65.9721 30.6565 178.5408 14 A 4.1092 7.9327 118.5493 54.5785 18.6075 179.2110 15 E 4.0459 8.2342 117.3659 59.2494 29.5292 179.6036 16 R 3.9729 7.8768 117.9451 59.2488 30.2505 178.6490 17 E 4.0195 8.0406 117.6351 58.7664 29.0603 179.0054 18 A 4.0850 7.5670 120.1814 54.5561 18.9213 179.0639 19 E 3.9493 8.2140 117.6867 58.6725 29.6684 178.8478 20 L 3.9067 8.0147 120.8421 58.3729 41.9118 178.7287 21 D 4.4203 7.6957 118.0993 57.1446 40.5146 178.5597 22 D 4.3764 7.7429 119.6031 57.2397 40.8748 178.6381 23 L 4.0968 7.9812 119.4773 57.4378 41.6957 179.5834 24 K 4.0698 8.2482 118.6059 59.4950 32.0010 179.4020 25 T 4.0453 7.6760 115.7890 66.1124 68.3077 176.5697 26 E 4.0381 7.9581 121.2034 58.5251 29.5447 178.6004 27 L 4.0376 7.9458 120.8284 57.9865 42.3115 178.5740 28 L 3.9474 7.9918 120.2807 58.0246 41.7186 178.1144 29 N 4.5827 8.2445 114.7769 54.5870 38.5579 176.8012 30 A 4.1794 7.4421 121.3135 54.5242 19.4189 179.6655 31 R 3.9455 8.2751 116.3486 58.9701 29.7587 179.1261 32 A 4.0369 7.8717 120.6250 54.9762 18.4499 179.7263 33 V 3.7065 7.4152 116.3583 65.5643 31.4490 177.8838 34 Q 4.1579 7.8704 118.9988 58.5847 28.7122 177.5440 35 A 4.0226 7.7254 120.4747 54.2917 18.5097 178.5646 36 A 4.3156 7.6105 116.2291 51.6336 19.5792 177.0130 37 G 3.6958 7.7818 105.2226 46.4170 0.0000 174.6407 38 G 3.7569 8.0364 106.9591 45.0685 0.0000 174.0956 39 A 4.4024 8.3564 123.0539 52.9587 19.9252 176.5392 40 P 4.5663 0.0000 0.0000 62.9597 31.2526 176.1871 41 E 4.3719 7.8675 117.8807 57.1207 31.0747 177.2552 42 N 4.8742 8.1029 116.4950 51.1507 39.2646 173.4778 43 P 4.2945 0.0000 0.0000 65.1537 31.5251 179.0553 44 G 3.7895 7.9998 104.1558 46.8366 0.0000 175.5712 45 R 4.0325 7.9136 120.8462 59.0194 29.5400 178.1441 46 I 3.7648 7.6664 117.8629 63.3337 37.4760 177.6645 47 K 4.1562 7.4905 117.8534 59.4870 32.0110 178.7038 48 E 4.0516 7.9216 118.1478 59.2045 29.2112 179.2364 49 L 3.9790 8.1117 119.2287 57.7429 41.6142 179.7602 50 R 3.9870 7.5405 118.5884 59.0412 30.0851 179.1502 51 K 4.0211 7.8214 117.2559 59.2450 32.0332 179.3622 52 A 4.0048 8.3443 121.5254 55.2121 18.2957 179.8006 53 I 3.6988 7.6519 118.2597 64.2380 37.0946 178.6087 54 A 3.9788 7.8758 121.3747 55.1664 18.2566 179.8680 55 R 3.8783 8.0980 116.6117 59.5575 30.1670 179.4465 56 I 3.7689 7.8863 119.5524 64.3197 36.9634 178.7144 57 K 4.0722 8.1297 119.3322 59.4978 31.9180 179.5962 58 T 3.9705 8.0017 116.3700 66.4616 68.3227 177.0214 59 I 3.8454 7.9163 121.8590 64.2355 37.1383 178.4382 60 Q 4.0919 8.3437 119.2835 58.7505 28.0486 179.0042 61 G 3.6614 7.9096 107.0723 47.6444 0.0000 175.8132 62 E 3.8489 7.9235 119.8782 59.1059 29.6256 178.7451 63 E 4.2445 8.3643 116.6853 56.2250 31.0490 175.9786 64 G 3.4932 7.3719 105.7724 45.7345 0.0000 173.3527 65 D 4.8837 8.6530 121.3241 54.6115 41.2155 175.3400 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 T 8.17 4.21 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 1.20 0.00 0.00 2 V 7.73 3.75 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 3 L 8.57 4.69 0.00 1.60 1.53 0.93 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 H 8.70 4.88 0.00 3.28 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.15 3.70 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 1.04 0.00 0.00 0.94 0.00 0.00 6 Q 8.07 3.98 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 7 E 8.13 4.07 0.00 2.15 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 2.31 2.41 0.00 8 I 7.46 4.01 1.98 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 1.53 1.07 0.91 0.00 0.00 9 R 7.62 4.06 0.00 1.88 1.99 0.00 3.16 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 10 D 7.77 4.51 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 6.85 4.25 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.48 0.00 12 T 8.47 4.44 4.33 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 1.29 0.00 0.00 13 P 0.00 4.23 0.00 2.19 2.26 0.00 3.64 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 2.18 0.00 14 A 7.93 4.11 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 15 E 8.23 4.05 0.00 2.30 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 2.33 2.34 0.00 16 R 7.88 3.97 0.00 2.00 1.97 0.00 3.13 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 17 E 8.04 4.02 0.00 1.97 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 2.33 2.47 0.00 18 A 7.57 4.08 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 19 E 8.21 3.95 0.00 2.27 2.08 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 2.30 2.35 0.00 20 L 8.01 3.91 0.00 2.04 1.78 0.92 1.14 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 21 D 7.70 4.42 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.74 4.38 0.00 2.86 2.71 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 23 L 7.98 4.10 0.00 1.85 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.25 4.07 0.00 1.88 1.85 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.59 7.81 25 T 7.68 4.05 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 26 E 7.96 4.04 0.00 2.13 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 2.30 2.31 0.00 27 L 7.95 4.04 0.00 1.96 1.85 0.92 0.39 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 28 L 7.99 3.95 0.00 2.00 1.65 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.24 4.58 0.00 2.87 2.83 0.00 0.00 6.81 7.40 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 30 A 7.44 4.18 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 31 R 8.28 3.95 0.00 2.02 1.99 0.00 3.12 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 32 A 7.87 4.04 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 33 V 7.42 3.71 2.20 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 0.98 0.00 0.00 0.98 0.00 0.00 34 Q 7.87 4.16 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 35 A 7.73 4.02 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 36 A 7.61 4.32 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 37 G 7.78 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.36 4.40 1.28 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 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.57 0.00 2.19 2.15 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 41 E 7.87 4.37 0.00 1.98 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 2.29 2.44 0.00 42 N 8.10 4.87 0.00 2.68 2.69 0.00 0.00 6.80 8.03 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 43 P 0.00 4.29 0.00 2.17 2.11 0.00 3.58 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 2.11 2.09 0.00 44 G 8.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.03 0.00 1.93 1.92 0.00 3.10 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 46 I 7.67 3.76 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 1.52 1.18 0.96 0.00 0.00 47 K 7.49 4.16 0.00 1.86 1.96 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 48 E 7.92 4.05 0.00 2.18 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 2.52 2.48 0.00 49 L 8.11 3.98 0.00 1.85 1.72 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.54 3.99 0.00 2.20 1.96 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 51 K 7.82 4.02 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 52 A 8.34 4.00 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 53 I 7.65 3.70 2.00 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 1.45 0.69 0.91 0.00 0.00 54 A 7.88 3.98 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 55 R 8.10 3.88 0.00 2.05 1.99 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 56 I 7.89 3.77 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 1.52 1.04 0.95 0.00 0.00 57 K 8.13 4.07 0.00 2.04 1.85 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.55 7.81 58 T 8.00 3.97 4.37 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 1.28 0.00 0.00 59 I 7.92 3.85 1.98 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 1.84 0.87 0.91 0.00 0.00 60 Q 8.34 4.09 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 61 G 7.91 3.66 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 0.00 0.00 0.00 62 E 7.92 3.85 0.00 2.21 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 2.43 0.00 63 E 8.36 4.24 0.00 1.93 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 2.54 2.46 0.00 64 G 7.37 3.49 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 0.00 65 D 8.65 4.88 0.00 2.75 2.87 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