NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0338 8.0549 120.3902 62.8525 32.6643 174.3893 2 T 4.3205 8.4426 123.3980 59.9021 70.5005 172.0357 3 S 4.7937 8.9349 121.0531 56.5396 67.2960 172.4392 4 Y 4.7836 8.3605 117.3374 56.5749 41.3008 175.2598 5 T 4.7600 8.4953 119.5034 61.6566 72.2470 173.1878 6 L 4.7903 8.4322 126.1001 53.2305 45.2039 174.9554 7 N 5.1860 8.5144 121.6582 51.2421 40.4261 173.1091 8 E 4.6119 8.1888 118.1577 54.7392 32.6568 174.8245 9 V 3.6752 8.3808 125.9198 62.6678 32.0111 175.2000 10 V 4.2899 8.2957 127.0094 60.5355 33.2371 173.7079 11 P 4.6253 0.0000 0.0000 61.0162 30.3924 176.0213 12 L 3.9522 8.3420 127.3820 58.6335 41.5884 178.6531 13 K 3.9110 8.0719 117.4227 58.9992 32.1937 177.3724 14 D 4.6756 7.9552 116.8673 54.5666 41.2277 176.8618 15 V 4.2136 7.7884 118.3102 63.2678 33.5074 175.8658 16 V 4.4832 7.3435 110.3003 58.5188 34.0821 173.4965 17 P 4.5938 0.0000 0.0000 62.1156 31.9522 176.6972 18 E 4.0496 8.8223 118.9065 58.4028 29.5368 177.8399 19 W 4.8139 8.0338 116.6039 54.9121 32.0665 174.9012 20 V 4.6465 8.2472 113.3469 60.0832 35.3271 174.4767 21 R 4.6579 8.4148 120.0959 54.3848 32.3514 175.8439 22 I 4.3223 7.7111 114.8531 59.4232 39.5428 174.8245 23 G 3.7835 7.3621 109.3976 45.7187 0.0000 172.1993 24 F 4.9713 8.2958 117.0240 55.5038 41.7903 175.0488 25 S 4.7758 8.4919 116.5547 56.6348 65.4864 172.8635 26 A 4.7613 8.1757 126.1611 51.0192 21.9632 175.4761 27 T 4.7770 8.1740 109.0367 60.0970 72.0843 173.0174 28 T 4.8914 8.3772 111.3306 59.9349 72.6969 175.3535 29 G 4.1369 8.4246 111.8913 45.1060 0.0000 174.3785 30 A 4.1900 9.1413 125.7674 55.0445 18.3658 178.1074 31 E 3.8311 7.8657 115.0600 55.8178 30.4543 175.7271 32 F 5.0024 6.4353 115.1411 56.0528 40.9024 172.8825 33 A 4.4210 8.0290 120.1752 51.5976 21.1055 175.8488 34 A 4.2116 8.6859 123.8653 51.8538 19.2311 177.4602 35 Q 4.4972 8.5440 120.8328 54.1111 31.2742 174.8053 36 E 4.7112 8.5367 121.5534 54.2557 33.3988 175.3264 37 V 4.2741 8.1347 120.5549 61.5000 33.9767 174.9819 38 H 4.7277 8.7869 123.0895 56.9108 30.0094 175.2105 39 S 4.7777 7.6399 110.8955 56.9437 65.4260 173.4878 40 W 5.4655 8.6729 131.4044 56.3547 33.2431 173.8268 41 S 4.8403 9.0180 119.9841 56.4929 64.4125 172.6733 42 F 4.7569 8.2203 126.8868 56.8088 42.2054 173.1039 43 N 4.6740 7.2247 124.9233 51.9424 41.5684 173.3914 44 S 4.5872 8.2240 118.6008 56.5877 66.4147 173.4037 45 Q 4.2239 8.3015 119.0108 54.3844 31.5619 174.3699 46 L 4.3467 8.7628 125.7142 55.1101 43.0839 176.2175 47 G 3.9980 8.7400 114.2939 45.7463 0.0000 172.3831 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 V 8.05 4.03 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 0.97 0.00 0.00 0.93 0.00 0.00 2 T 8.44 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 1.08 0.00 0.00 3 S 8.93 4.79 0.00 3.89 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 4 Y 8.36 4.78 0.00 2.91 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 5 T 8.50 4.76 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 L 8.43 4.79 0.00 1.55 1.50 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.51 5.19 0.00 2.82 2.74 0.00 0.00 5.88 7.66 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 8 E 8.19 4.61 0.00 1.89 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 2.20 2.36 0.00 9 V 8.38 3.68 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 10 V 8.30 4.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.94 0.00 0.00 11 P 0.00 4.63 0.00 2.41 2.19 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 2.04 1.98 0.00 12 L 8.34 3.95 0.00 1.71 1.77 0.93 0.90 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 13 K 8.07 3.91 0.00 1.74 1.84 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.52 7.81 14 D 7.96 4.68 0.00 2.83 2.69 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 15 V 7.79 4.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 16 V 7.34 4.48 2.09 0.00 0.00 0.00 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 1.00 0.00 0.00 17 P 0.00 4.59 0.00 2.30 2.06 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 18 E 8.82 4.05 0.00 2.09 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 2.29 2.37 0.00 19 W 8.03 4.81 0.00 3.18 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 4.65 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 0.79 0.00 0.00 0.94 0.00 0.00 21 R 8.41 4.66 0.00 1.77 1.81 0.00 3.19 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 22 I 7.71 4.32 1.83 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.61 0.77 0.00 0.00 23 G 7.36 3.78 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 0.00 0.00 0.00 24 F 8.30 4.97 0.00 2.87 2.69 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 25 S 8.49 4.78 0.00 3.78 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 26 A 8.18 4.76 1.18 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 0.00 0.00 27 T 8.17 4.78 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 28 T 8.38 4.89 4.43 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 1.36 0.00 0.00 29 G 8.42 4.14 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 0.00 0.00 0.00 30 A 9.14 4.19 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 31 E 7.87 3.83 0.00 1.92 1.64 0.00 0.00 0.00 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 2.15 0.00 32 F 6.44 5.00 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 33 A 8.03 4.42 1.24 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 0.00 0.00 34 A 8.69 4.21 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 35 Q 8.54 4.50 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 36 E 8.54 4.71 0.00 1.92 1.86 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 2.19 2.25 0.00 37 V 8.13 4.27 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 0.53 0.00 0.00 0.04 0.00 0.00 38 H 8.79 4.73 0.00 3.13 3.36 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.64 4.78 0.00 4.03 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 40 W 8.67 5.47 0.00 3.36 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 41 S 9.02 4.84 0.00 3.88 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 42 F 8.22 4.76 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.22 4.67 0.00 2.49 2.39 0.00 0.00 6.83 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 44 S 8.22 4.59 0.00 3.94 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 45 Q 8.30 4.22 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 46 L 8.76 4.35 0.00 1.46 1.48 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.74 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 0.00 0.00 0.00