NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2724 8.3049 120.3517 55.3796 33.3455 172.2273 2 I 2.9534 7.6532 125.8272 59.2012 37.6677 169.3107 3 V 2.8345 8.5287 125.2237 62.0182 32.7266 173.8870 4 P 4.2711 0.0000 0.0000 62.1552 31.8938 176.3408 5 V 3.6900 8.0251 121.7313 63.4404 32.2200 173.3192 6 R 4.2816 8.8038 127.7697 55.0780 29.4224 174.9650 7 C 4.0950 8.2491 116.9567 54.5422 42.8866 174.2735 8 F 4.1283 8.1553 122.4484 61.1761 38.8047 177.2078 9 S 4.2589 8.2164 114.4012 61.8303 62.3480 175.7034 10 C 4.3242 7.7018 116.9080 55.2204 40.2920 173.3527 11 G 3.4780 6.9539 123.4586 45.7020 0.0000 173.5118 12 K 3.8837 7.6859 123.3635 56.1548 32.6627 176.1624 13 V 3.9357 8.3796 119.2593 62.1864 31.9083 176.2732 14 V 4.2765 8.3269 116.2041 60.7763 33.7257 177.3419 15 G 3.8001 7.8677 108.5676 49.3014 0.0000 174.8897 16 D 4.5889 7.9468 120.3200 54.3912 39.8082 178.0966 17 K 4.2419 8.0036 120.0237 58.2848 32.0554 178.7939 18 W 4.3351 8.1711 128.7722 60.5768 30.5515 177.4048 19 E 3.9191 8.5578 118.0505 60.0328 28.8276 179.8054 20 S 4.1192 8.0918 114.0650 61.5698 62.6331 175.9690 21 Y 4.0697 8.0031 122.5271 60.3100 37.9971 177.2968 22 L 3.5145 7.8046 121.2400 57.3892 41.9865 178.4058 23 N 4.4025 7.6943 116.5323 55.5524 38.2518 176.6953 24 L 4.1834 7.5863 119.0050 55.9429 41.5309 178.4042 25 L 4.2642 7.0202 119.5709 56.4736 42.1990 177.9106 26 Q 4.1926 7.3740 115.9637 56.5807 29.5753 174.9221 27 E 4.4500 7.7033 114.8263 58.6750 31.3642 176.8685 28 D 4.3735 7.9572 116.1347 55.0883 41.4170 175.9048 29 E 3.8709 7.8231 116.2808 56.9696 26.3936 173.9225 30 L 4.6700 7.2061 116.0275 53.0552 44.2287 177.4020 31 D 4.6322 8.1821 120.5289 52.9646 41.7465 177.0821 32 E 4.0745 8.8999 120.7916 59.7581 29.0603 179.8584 33 G 3.7384 8.2348 104.9738 48.5371 0.0000 175.7608 34 T 4.0749 8.0552 118.0266 65.6676 68.3476 176.8050 35 A 4.0497 8.3014 123.2855 55.1730 17.9044 179.6704 36 L 4.0748 8.3997 117.5593 57.6963 41.5464 179.7727 37 S 4.2518 7.8177 114.2266 61.1764 62.6889 176.4711 38 R 4.0059 7.7481 120.3958 58.7528 29.9783 177.0968 39 L 4.1567 7.5415 116.0630 55.5606 41.7992 177.7118 40 G 3.8642 7.8978 107.3033 44.9301 0.0000 173.9718 41 L 4.2617 7.3041 119.5555 53.9625 40.7088 176.1895 42 K 4.3383 8.4465 123.4845 57.9279 34.2825 177.8089 43 R 4.2185 7.5974 115.3507 55.5376 30.3800 176.4125 44 Y 4.4052 7.6784 117.6445 59.5844 38.8810 175.7954 45 C 4.2712 7.4561 116.0231 59.3156 41.1905 175.4742 46 C 4.3806 7.6145 116.7801 56.7803 34.8106 175.0234 47 R 4.2973 7.4067 121.9782 58.2438 30.0207 178.2813 48 R 4.2667 7.9470 113.6577 57.6127 29.2490 178.1241 49 M 3.8657 7.7489 119.3487 58.6934 32.5582 177.5574 50 I 3.9478 7.4729 119.3371 64.1170 37.4560 178.0104 51 L 4.1365 7.6375 119.4291 57.5676 42.1345 177.6151 52 T 4.3853 7.2240 113.5161 64.5991 69.5463 174.8531 53 H 4.1639 7.8255 121.9263 55.9375 30.1656 174.3426 54 V 4.1085 7.9857 126.6310 61.2957 32.1493 175.5251 55 D 4.4352 8.3796 128.0643 53.5446 39.7211 175.6493 56 L 4.3368 8.1981 124.8823 56.4466 42.1611 177.7843 57 I 3.8772 8.0348 118.5070 64.6086 37.8675 176.9451 58 E 4.0344 8.4986 118.5302 59.8234 28.8431 179.3472 59 K 4.1709 8.5127 117.7103 58.5303 31.7337 179.1461 60 F 4.2200 8.6428 118.6781 59.9338 38.7474 177.6533 61 L 3.9663 7.6444 116.8879 57.2815 41.5314 178.8372 62 R 3.9988 7.3687 117.8658 58.1690 30.0714 176.4221 63 Y 4.1309 6.9739 116.8076 57.4428 38.0757 174.5404 64 N 4.2718 8.9352 124.2646 56.7729 39.3287 172.5896 65 P 4.4793 0.0000 0.0000 62.7432 31.5091 176.3686 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 M 8.30 4.27 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 2 I 7.65 2.95 1.79 0.00 0.00 0.82 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 0.61 0.81 0.00 0.00 3 V 8.53 2.83 1.85 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 0.55 0.00 0.00 0.13 0.00 0.00 4 P 0.00 4.27 0.00 1.69 1.73 0.00 3.42 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.98 0.00 5 V 8.03 3.69 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 0.75 0.00 0.00 0.87 0.00 0.00 6 R 8.80 4.28 0.00 1.88 1.88 0.00 3.27 0.00 0.00 3.90 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 7 C 8.25 4.10 0.00 2.94 3.07 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 0.00 0.00 0.00 0.00 8 F 8.16 4.13 0.00 3.06 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.22 4.26 0.00 3.85 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 10 C 7.70 4.32 0.00 2.90 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 11 G 6.95 3.48 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 0.00 12 K 7.69 3.88 0.00 1.76 1.65 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.45 7.81 13 V 8.38 3.94 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 0.73 0.00 0.00 0.91 0.00 0.00 14 V 8.33 4.28 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 0.71 0.00 0.00 0.87 0.00 0.00 15 G 7.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.95 4.59 0.00 2.82 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 17 K 8.00 4.24 0.00 2.20 1.94 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 18 W 8.17 4.34 0.00 3.38 3.10 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 19 E 8.56 3.92 0.00 2.09 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 2.55 2.45 0.00 20 S 8.09 4.12 0.00 3.90 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 21 Y 8.00 4.07 0.00 3.04 3.02 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 22 L 7.80 3.51 0.00 1.31 1.36 0.46 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.69 4.40 0.00 2.67 2.77 0.00 0.00 6.87 6.61 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 24 L 7.59 4.18 0.00 1.62 1.62 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.02 4.26 0.00 1.35 1.46 0.12 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.37 4.19 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 27 E 7.70 4.45 0.00 1.83 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 2.17 2.34 0.00 28 D 7.96 4.37 0.00 2.64 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.82 3.87 0.00 2.09 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 2.17 2.23 0.00 30 L 7.21 4.67 0.00 1.78 1.55 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.18 4.63 0.00 2.87 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 32 E 8.90 4.07 0.00 2.15 2.22 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 2.50 2.48 0.00 33 G 8.23 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.06 4.07 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 35 A 8.30 4.05 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 L 8.40 4.07 0.00 1.97 1.77 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.82 4.25 0.00 3.93 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 38 R 7.75 4.01 0.00 1.78 1.98 0.00 3.25 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 39 L 7.54 4.16 0.00 1.70 1.73 1.12 1.01 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 40 G 7.90 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 41 L 7.30 4.26 0.00 1.89 1.66 0.92 0.86 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 42 K 8.45 4.34 0.00 1.86 1.92 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.39 7.81 43 R 7.60 4.22 0.00 1.77 1.99 0.00 2.86 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 44 Y 7.68 4.41 0.00 3.10 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.46 4.27 0.00 3.12 3.02 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 46 C 7.61 4.38 0.00 2.90 3.10 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 47 R 7.41 4.30 0.00 2.27 2.00 0.00 3.31 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 48 R 7.95 4.27 0.00 2.17 2.26 0.00 2.90 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.04 0.00 49 M 7.75 3.87 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 50 I 7.47 3.95 1.62 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.01 0.00 0.00 51 L 7.64 4.14 0.00 1.67 1.75 1.04 0.92 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 52 T 7.22 4.39 4.47 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 1.27 0.00 0.00 53 H 7.83 4.16 0.00 3.08 3.22 0.00 5.73 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 54 V 7.99 4.11 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 0.86 0.00 0.00 1.01 0.00 0.00 55 D 8.38 4.44 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 4.34 0.00 2.05 2.11 1.07 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.03 3.88 1.89 0.00 0.00 0.82 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 1.54 0.98 0.00 0.00 58 E 8.50 4.03 0.00 2.10 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 2.53 2.50 0.00 59 K 8.51 4.17 0.00 1.75 1.70 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 60 F 8.64 4.22 0.00 3.34 3.16 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 0.00 0.00 0.00 0.00 61 L 7.64 3.97 0.00 1.93 1.80 0.99 0.93 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 62 R 7.37 4.00 0.00 1.50 1.62 0.00 3.26 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 63 Y 6.97 4.13 0.00 2.89 2.92 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 64 N 8.94 4.27 0.00 2.70 2.89 0.00 0.00 7.23 7.69 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 65 P 0.00 4.48 0.00 2.11 1.97 0.00 3.85 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 2.06 2.11 0.00