NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2761 8.2644 123.5828 52.0376 19.3932 175.7351 3 R 4.2797 8.3112 123.3598 53.1136 31.3717 174.6113 4 R 4.1863 8.5226 121.2661 56.7779 31.3304 175.3450 5 T 4.2906 8.3130 108.6374 60.7435 70.5479 172.4693 6 W 4.3412 8.8132 135.0000 60.6301 30.9269 176.5485 7 L 3.8145 8.3278 119.0324 58.3429 41.8264 179.1784 8 G 3.6897 8.6408 105.6397 48.0883 0.0000 175.1937 9 D 4.5021 8.2430 120.8084 57.0739 40.9559 178.4236 10 I 4.1148 7.3916 116.8524 62.0981 37.1474 177.0996 11 L 4.3723 8.0822 121.2708 55.8223 42.2974 176.9413 12 R 4.1835 7.1611 117.8636 55.1692 31.0268 174.7307 13 P 4.3848 0.0000 0.0000 65.6282 31.3709 178.7257 14 L 3.8544 7.2283 118.5988 57.4758 41.6378 177.6988 15 N 4.5434 7.9303 115.1989 55.0504 39.7867 175.9007 16 S 4.2132 8.5496 112.8536 61.4780 62.9491 175.2303 17 E 4.4240 8.0132 118.5906 55.8311 29.4057 176.3857 18 Y 4.3991 8.2282 118.9337 59.7702 38.6313 179.1043 19 G 3.7931 8.8052 104.5780 45.1322 0.0000 174.8903 20 K 4.2766 7.5977 116.1318 56.2419 31.7762 176.6265 21 V 3.7519 7.3637 118.1299 63.6182 32.6354 173.4094 22 A 4.7236 7.9558 124.3122 48.8111 22.1852 173.6311 23 P 4.1086 0.0000 0.0000 63.6996 31.1664 177.0616 24 G 3.9909 8.5262 114.8236 45.6853 0.0000 171.7194 25 W 4.1434 8.7725 113.7421 58.4746 28.1315 181.6747 26 G 3.2040 6.7439 103.4139 47.0112 0.0000 175.4563 27 T 4.3153 7.3651 115.1620 61.6819 67.8417 176.5054 28 T 4.0360 8.2119 117.8634 67.1888 68.7397 173.8645 29 P 4.3518 0.0000 0.0000 66.4991 30.7754 177.9137 30 L 4.1772 7.5001 117.2742 58.1878 42.1157 178.1207 31 M 4.2369 8.7092 118.9922 58.1502 32.2532 177.4479 32 A 4.2662 7.9816 119.3052 53.7515 18.5763 178.6152 33 V 4.0869 7.5823 116.5994 62.8619 32.2311 177.9364 34 F 3.9112 9.0302 119.3354 59.8646 38.9345 177.7992 35 M 4.4231 8.2366 118.4316 58.0783 31.4506 178.6640 36 G 3.6460 7.8478 104.6736 47.9898 0.0000 175.8222 37 L 4.0927 7.5903 121.1202 57.1198 41.5245 179.3229 38 F 4.1742 8.3256 120.9928 61.1882 39.5212 176.8779 39 L 3.7871 9.0458 121.0573 58.1916 41.6410 179.6866 40 V 3.5363 7.5937 118.4830 65.4421 31.4331 177.3086 41 F 3.8389 8.1558 120.3729 60.8448 38.9110 176.8262 42 L 3.7482 8.7612 117.8331 58.1143 41.8593 179.7831 43 L 3.8993 7.7051 119.9521 57.9755 41.5041 179.0123 44 I 3.6797 8.2124 113.9594 63.7455 37.4450 178.2681 45 I 3.4826 7.2111 121.3641 63.5228 37.0359 177.6592 46 L 3.9756 7.8805 121.3453 58.4118 41.8738 178.5881 47 E 4.2373 8.1564 118.0150 57.2498 29.3394 178.6819 48 I 4.0696 6.8675 119.4429 63.6818 37.8171 177.2068 49 Y 4.4158 8.5449 120.7292 60.7414 38.5849 176.9984 50 N 4.3463 8.1290 114.0670 53.6913 40.0652 174.1980 51 S 3.7933 8.0206 114.2138 60.7936 60.7977 172.3295 52 T 4.5261 7.4147 107.9265 61.0628 71.1696 173.6817 53 L 4.6021 8.1683 124.8246 53.0050 40.8974 173.7630 54 I 3.8673 7.6448 119.1777 60.1171 37.9227 175.2213 55 L 4.5448 8.0351 127.7667 53.0385 43.2032 176.5043 56 D 4.2952 8.5210 120.8222 55.6461 41.7227 177.1545 57 G 3.9757 8.6516 112.0615 46.0288 0.0000 175.9803 58 V 4.2269 6.9730 115.1185 62.0558 32.8346 171.0451 59 N 4.5540 8.0858 120.7350 51.6694 38.6357 176.0117 60 V 3.9225 7.9727 130.4093 62.2288 29.8510 173.6400 61 S 4.7932 7.1824 115.0601 55.9532 66.8282 174.7747 62 W 4.0271 8.8405 119.3799 59.7032 29.3577 177.9787 63 K 4.3948 8.0944 118.6521 56.0403 29.6318 176.4337 64 A 4.2576 7.6843 125.0688 54.3824 20.1483 177.5281 65 L 4.1607 7.7705 120.1349 55.3572 42.2039 176.4534 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 4.28 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 3 R 8.31 4.28 0.00 1.86 1.83 0.00 3.25 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 4 R 8.52 4.19 0.00 1.97 1.94 0.00 3.19 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 5 T 8.31 4.29 4.27 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 0.00 0.00 0.00 1.23 0.00 0.00 6 W 8.81 4.34 0.00 3.27 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 7 L 8.33 3.81 0.00 1.29 1.52 0.73 0.91 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 8 G 8.64 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.24 4.50 0.00 2.82 2.81 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 0.00 0.00 0.00 10 I 7.39 4.11 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.86 0.96 0.00 0.00 11 L 8.08 4.37 0.00 1.83 1.66 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.16 4.18 0.00 1.77 1.83 0.00 3.26 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 13 P 0.00 4.38 0.00 2.26 2.31 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 14 L 7.23 3.85 0.00 1.82 1.78 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.93 4.54 0.00 2.64 2.80 0.00 0.00 6.90 7.63 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 16 S 8.55 4.21 0.00 3.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.01 4.42 0.00 2.02 1.98 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 2.34 2.33 0.00 18 Y 8.23 4.40 0.00 2.99 2.24 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 0.00 19 G 8.81 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 20 K 7.60 4.28 0.00 1.90 2.03 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.82 1.45 7.81 21 V 7.36 3.75 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 0.80 0.00 0.00 0.95 0.00 0.00 22 A 7.96 4.72 1.22 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 23 P 0.00 4.11 0.00 2.18 2.22 0.00 3.84 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 2.05 1.95 0.00 24 G 8.53 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 25 W 8.77 4.14 0.00 3.58 3.22 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 26 G 6.74 3.20 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 0.00 0.00 0.00 0.00 27 T 7.37 4.32 4.26 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 1.24 0.00 0.00 28 T 8.21 4.04 4.62 0.00 0.00 0.00 0.00 0.00 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 29 P 0.00 4.35 0.00 2.34 2.48 0.00 3.80 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 30 L 7.50 4.18 0.00 1.77 1.98 1.17 1.01 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 31 M 8.71 4.24 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 32 A 7.98 4.27 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 7.58 4.09 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.91 0.00 0.00 34 F 9.03 3.91 0.00 3.32 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.24 4.42 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 36 G 7.85 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.59 4.09 0.00 1.98 1.74 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.33 4.17 0.00 3.23 3.22 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 39 L 9.05 3.79 0.00 1.99 1.72 0.92 0.47 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 40 V 7.59 3.54 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 0.86 0.00 0.00 0.92 0.00 0.00 41 F 8.16 3.84 0.00 3.31 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 42 L 8.76 3.75 0.00 1.34 1.60 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.71 3.90 0.00 1.82 1.71 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.21 3.68 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.36 0.88 0.00 0.00 45 I 7.21 3.48 1.69 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.66 0.00 0.00 46 L 7.88 3.98 0.00 1.87 1.83 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.16 4.24 0.00 2.11 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 2.30 2.17 0.00 48 I 6.87 4.07 1.87 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 1.34 0.66 0.91 0.00 0.00 49 Y 8.54 4.42 0.00 3.02 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 50 N 8.13 4.35 0.00 2.87 2.81 0.00 0.00 7.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.02 3.79 0.00 4.05 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 52 T 7.41 4.53 4.23 0.00 0.00 0.00 0.00 0.00 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 53 L 8.17 4.60 0.00 1.52 1.67 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.64 3.87 1.86 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 1.41 0.92 0.90 0.00 0.00 55 L 8.04 4.54 0.00 1.62 1.54 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.52 4.30 0.00 2.65 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 57 G 8.65 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 0.00 0.00 0.00 58 V 6.97 4.23 2.24 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 0.70 0.00 0.00 0.92 0.00 0.00 59 N 8.09 4.55 0.00 2.72 2.75 0.00 0.00 7.24 7.71 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 60 V 7.97 3.92 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 0.88 0.00 0.00 0.97 0.00 0.00 61 S 7.18 4.79 0.00 4.06 3.96 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 0.00 0.00 0.00 62 W 8.84 4.03 0.00 3.33 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.09 4.39 0.00 1.83 1.84 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.47 7.81 64 A 7.68 4.26 1.25 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 0.00 0.00 0.00 65 L 7.77 4.16 0.00 1.64 1.59 0.94 0.84 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