NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3488 8.2649 123.5882 51.9665 20.3132 176.6729 3 R 4.3350 7.6393 119.8735 55.0281 32.1993 176.3878 4 K 3.7586 9.2892 122.7346 59.9334 33.2522 178.5327 5 A 4.0295 8.3234 119.4060 55.6113 18.0396 178.5145 6 L 4.3283 7.8136 111.2801 55.8573 41.9718 177.9824 7 I 4.4163 8.3610 122.0072 60.4288 36.2324 175.5349 8 E 4.5496 7.6878 114.1638 55.9534 30.4026 177.7399 9 K 3.7456 7.8845 122.0126 59.7264 32.3860 178.6287 10 A 3.8297 7.9724 119.7973 54.7308 18.2287 177.1283 11 K 3.9467 7.4083 115.9941 56.5175 31.5801 176.4042 12 R 3.8467 8.9005 125.7939 60.3312 30.3447 178.9279 13 T 3.7303 6.5130 119.1490 63.8398 65.3944 171.0501 14 P 4.4348 0.0000 0.0000 62.3429 32.5919 179.5388 15 K 3.6281 8.7920 119.5565 57.1373 32.6300 175.7451 16 F 4.6497 8.4647 116.2558 56.2727 43.1467 174.8462 17 K 4.2912 8.9287 124.5828 58.4670 32.3859 177.9559 18 V 3.9405 7.7321 112.3959 63.1861 31.9688 176.6090 19 R 4.4599 7.8608 117.9339 55.9894 29.8639 176.4603 20 A 4.3209 7.8462 121.1399 52.2709 19.1573 177.7193 21 Y 4.5153 8.5784 114.1761 58.0217 40.6554 175.7640 22 T 2.7240 8.5918 110.0125 58.9337 71.8420 172.4837 23 R 4.2706 9.0208 117.5534 55.3580 30.6038 175.6394 24 C 4.5239 8.3102 121.2782 59.3851 32.2811 173.7073 25 V 4.2286 8.3500 125.6621 61.5709 31.3067 176.3145 26 R 4.6828 7.9180 119.2471 57.6388 35.0835 175.1432 27 C 4.6387 8.2610 109.6006 57.1288 31.4966 174.8746 28 G 3.9509 8.4072 107.4100 45.2077 0.0000 173.8244 29 R 4.1188 7.7152 120.8563 56.1082 27.9748 176.3263 30 A 4.2431 8.2901 125.7125 54.3274 18.9236 179.2836 31 R 4.0604 7.4699 114.8903 59.3665 30.4182 177.0435 32 S 4.6057 7.5756 112.8098 56.8023 62.0267 175.3595 33 V 4.1698 7.8630 120.1040 63.0622 31.9323 175.8391 34 Y 3.9966 9.8338 127.8350 58.6860 37.3102 177.8643 35 R 3.6673 8.7621 122.0653 58.7826 31.0876 178.8119 36 F 3.9407 8.1325 121.5467 60.7648 39.8601 176.4684 37 F 4.7306 9.2189 117.5327 56.6836 41.1682 176.5404 38 G 4.0261 8.5642 107.1817 45.4139 0.0000 172.3679 39 L 5.0200 7.7230 118.8005 52.3653 44.4080 176.1617 40 C 4.9300 8.3436 116.9603 57.3272 30.5676 174.6544 41 R 4.0181 8.3083 116.6731 59.6380 28.4997 178.8382 42 I 3.6555 7.6868 120.3080 64.2256 37.3050 177.5204 43 C 4.1065 8.0529 116.8118 62.8971 27.9854 175.7251 44 L 3.6230 7.7633 121.7777 58.3562 41.4480 179.3042 45 R 3.6962 7.3558 117.8518 59.3613 29.8399 177.6525 46 E 3.9631 8.0873 117.3066 59.8984 29.7362 179.3002 47 L 4.1048 8.3699 118.2621 58.0452 41.9279 179.3803 48 A 3.9460 8.0398 120.5568 55.8736 17.8669 179.4613 49 H 4.3031 8.1563 113.9724 58.8476 28.8922 177.7346 50 K 4.2282 8.1577 119.3535 57.4680 31.9060 178.2228 51 G 3.9919 7.7803 106.8778 45.3752 0.0000 174.5704 52 Q 4.0536 7.8429 116.5239 56.4673 29.2020 175.9103 53 L 4.5980 7.4081 119.9715 51.8055 41.7717 173.7614 54 P 4.3136 0.0000 0.0000 64.7281 31.2057 176.4636 55 G 4.0474 8.5321 110.5031 46.7964 0.0000 173.9855 56 V 4.1864 7.2342 117.1593 60.8016 30.5240 174.2604 57 R 4.1921 7.6039 123.0279 55.5013 31.6233 174.7678 58 K 4.3868 8.2623 118.0935 54.4709 33.0908 176.9757 59 A 4.0942 8.6085 126.7256 52.2933 18.9435 176.9642 60 S 5.1550 8.4174 111.4635 58.0130 64.1348 177.1476 61 W 4.8497 8.6379 124.3142 56.7104 27.8848 174.9264 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 2 A 8.26 4.35 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.64 4.34 0.00 2.03 1.86 0.00 3.23 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 4 K 9.29 3.76 0.00 1.82 1.90 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.48 7.81 5 A 8.32 4.03 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 6 L 7.81 4.33 0.00 1.88 1.82 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.36 4.42 1.98 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 1.38 0.93 0.89 0.00 0.00 8 E 7.69 4.55 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 9 K 7.88 3.75 0.00 1.13 1.52 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.59 0.63 7.81 10 A 7.97 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.41 3.95 0.00 1.74 2.10 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.40 7.81 12 R 8.90 3.85 0.00 1.82 1.93 0.00 3.43 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 13 T 6.51 3.73 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 1.19 0.00 0.00 14 P 0.00 4.43 0.00 2.49 2.38 0.00 3.77 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 2.01 1.94 0.00 15 K 8.79 3.63 0.00 1.88 2.05 0.00 1.87 0.00 0.00 1.97 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.57 1.21 7.81 16 F 8.46 4.65 0.00 3.11 2.88 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 17 K 8.93 4.29 0.00 1.88 1.97 0.00 1.49 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.59 7.81 18 V 7.73 3.94 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 0.76 0.00 0.00 0.97 0.00 0.00 19 R 7.86 4.46 0.00 1.98 2.06 0.00 3.29 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 20 A 7.85 4.32 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 21 Y 8.58 4.52 0.00 3.01 2.89 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 22 T 8.59 2.72 4.31 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 1.27 0.00 0.00 23 R 9.02 4.27 0.00 1.94 2.04 0.00 3.48 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.31 0.00 24 C 8.31 4.52 0.00 3.03 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 25 V 8.35 4.23 2.11 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 0.83 0.00 0.00 0.94 0.00 0.00 26 R 7.92 4.68 0.00 1.76 1.93 0.00 3.20 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 27 C 8.26 4.64 0.00 3.09 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 28 G 8.41 3.95 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 0.00 0.00 0.00 29 R 7.72 4.12 0.00 1.93 1.91 0.00 3.27 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 30 A 8.29 4.24 1.43 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 0.00 0.00 31 R 7.47 4.06 0.00 1.90 1.99 0.00 3.31 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 32 S 7.58 4.61 0.00 3.92 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 33 V 7.86 4.17 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 0.94 0.00 0.00 1.03 0.00 0.00 34 Y 9.83 4.00 0.00 3.03 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 35 R 8.76 3.67 0.00 2.04 1.99 0.00 3.22 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 1.78 1.74 0.00 36 F 8.13 3.94 0.00 3.14 3.33 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 37 F 9.22 4.73 0.00 3.05 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.72 5.02 0.00 1.64 1.51 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.34 4.93 0.00 3.15 3.12 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 0.00 0.00 0.00 41 R 8.31 4.02 0.00 2.19 2.41 0.00 2.80 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 42 I 7.69 3.66 1.88 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 1.65 0.66 0.91 0.00 0.00 43 C 8.05 4.11 0.00 2.95 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 44 L 7.76 3.62 0.00 1.61 1.62 0.46 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.36 3.70 0.00 1.68 1.96 0.00 3.21 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 46 E 8.09 3.96 0.00 2.10 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 2.37 2.52 0.00 47 L 8.37 4.10 0.00 1.74 1.74 0.96 0.74 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 48 A 8.04 3.95 1.30 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 49 H 8.16 4.30 0.00 3.47 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.16 4.23 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.66 7.81 51 G 7.78 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.84 4.05 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 53 L 7.41 4.60 0.00 1.79 1.81 1.05 1.11 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 54 P 0.00 4.31 0.00 2.18 2.12 0.00 3.97 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 55 G 8.53 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.23 4.19 2.27 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 0.85 0.00 0.00 1.17 0.00 0.00 57 R 7.60 4.19 0.00 1.81 1.85 0.00 3.28 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 58 K 8.26 4.39 0.00 1.80 1.76 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.43 7.81 59 A 8.61 4.09 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 60 S 8.42 5.15 0.00 3.91 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 61 W 8.64 4.85 0.00 3.38 2.99 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 0.00 0.00 0.00