NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.3727 8.4449 120.3616 56.0864 31.0070 172.4947 3 Y 4.7120 7.4261 122.6437 55.6708 39.7226 172.5021 4 E 4.1797 9.4405 122.6264 56.8726 31.0770 176.1157 5 E 4.6234 8.3329 119.3487 55.1386 33.4801 176.1564 6 G 3.9246 8.7371 105.8375 43.9193 0.0000 170.9682 7 P 4.2043 0.0000 0.0000 64.3567 31.3843 177.3691 8 G 3.8354 8.8686 109.9930 45.6791 0.0000 173.7238 9 K 4.3773 7.9820 117.4237 56.0637 33.9775 176.4358 10 N 4.7097 8.0511 115.3042 52.2239 37.5299 174.4142 11 I 4.4736 6.9905 111.4428 58.4234 40.1852 173.8068 12 P 4.3277 0.0000 0.0000 64.3212 31.7567 176.3002 13 F 4.8769 7.6160 113.0192 54.7515 40.0062 174.9392 14 S 4.3805 8.4205 116.6427 57.9874 63.0022 174.2393 15 V 4.4524 7.8664 119.3029 61.1464 32.4350 176.9368 16 E 3.9076 8.2247 122.1381 58.7683 29.7421 176.9154 17 N 4.8423 7.8644 118.4588 51.4754 40.7263 175.1397 18 K 3.7936 8.4046 128.3544 59.4480 32.4977 179.0872 19 W 4.4284 8.6956 120.6922 59.6261 29.1514 178.5103 20 R 3.9902 8.4261 118.1465 59.1494 29.4106 178.2036 21 L 3.9384 8.1445 120.3193 57.9864 42.0957 178.2654 22 L 3.9534 8.0415 120.2100 58.4026 41.8645 178.8044 23 A 4.0413 8.2388 120.1968 55.4953 18.3754 179.1878 24 M 3.9648 8.2368 117.3864 59.2024 32.0684 179.0400 25 M 3.9935 8.7063 118.7292 58.5948 32.0751 179.1083 26 T 3.9913 8.2707 116.2772 66.7453 68.6988 176.7947 27 L 4.0530 8.2661 121.1830 58.3154 41.4675 178.5189 28 F 4.1955 8.4823 121.1353 60.9136 39.0542 176.9282 29 F 4.3568 8.8693 117.9949 60.3690 39.0116 178.3386 30 G 3.6386 8.4493 105.8616 47.8941 0.0000 175.8556 31 S 4.3427 8.2261 117.5621 61.1175 62.4157 177.0630 32 G 3.4892 7.5629 108.3899 47.5419 0.0000 175.2741 33 F 4.4360 7.9732 121.9144 61.0109 39.6388 176.7650 34 A 4.4151 8.9576 120.7110 54.8671 18.2292 179.0725 35 A 3.9730 7.9143 119.2697 55.2116 18.3990 177.7865 36 P 4.0520 0.0000 0.0000 65.9853 31.2819 178.6565 37 F 4.1509 7.8305 115.6158 60.7797 38.8181 177.5103 38 F 3.9886 8.5781 116.4562 59.5804 38.6331 178.0055 39 I 3.8157 7.6605 120.0399 64.1423 37.0805 178.1206 40 V 3.5271 8.1544 119.4201 66.0370 31.4229 177.6420 41 R 3.7941 8.1512 118.5842 59.9506 29.6226 177.5052 42 H 4.0906 8.0776 116.4650 59.7311 29.5610 176.7531 43 Q 4.0760 8.4121 119.8776 58.9896 28.2738 178.7571 44 L 4.0871 8.1488 119.7904 57.0218 41.4126 178.4201 45 L 4.3440 7.3971 116.4408 55.1420 41.8475 177.8792 46 K 4.2438 7.4093 118.3931 56.6582 32.7381 176.3701 47 K 3.9400 7.2077 124.0358 57.2643 33.8373 173.7451 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 H 8.44 4.37 0.00 3.02 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.43 4.71 0.00 2.97 2.66 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 4 E 9.44 4.18 0.00 1.96 1.88 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 2.34 2.28 0.00 5 E 8.33 4.62 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 6 G 8.74 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 0.00 0.00 0.00 7 P 0.00 4.20 0.00 2.02 2.01 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 8 G 8.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 4.38 0.00 1.85 1.78 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.57 7.81 10 N 8.05 4.71 0.00 2.78 2.86 0.00 0.00 5.87 7.81 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 11 I 6.99 4.47 1.05 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 1.06 0.21 0.72 0.00 0.00 12 P 0.00 4.33 0.00 2.24 2.21 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.04 0.00 13 F 7.62 4.88 0.00 3.06 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 14 S 8.42 4.38 0.00 3.82 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 15 V 7.87 4.45 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 0.78 0.00 0.00 0.78 0.00 0.00 16 E 8.22 3.91 0.00 1.92 1.96 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 2.31 2.29 0.00 17 N 7.86 4.84 0.00 2.80 2.69 0.00 0.00 6.86 6.76 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 18 K 8.40 3.79 0.00 1.59 1.73 0.00 0.64 0.00 0.00 1.05 0.00 0.00 2.67 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.54 0.21 7.81 19 W 8.70 4.43 0.00 3.52 3.24 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 20 R 8.43 3.99 0.00 1.95 1.98 0.00 3.21 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 21 L 8.14 3.94 0.00 1.83 1.76 1.07 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.04 3.95 0.00 2.01 2.11 1.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.24 4.04 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 24 M 8.24 3.96 0.00 1.94 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.98 0.00 25 M 8.71 3.99 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 26 T 8.27 3.99 4.61 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 0.00 0.00 0.00 1.26 0.00 0.00 27 L 8.27 4.05 0.00 1.86 1.74 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.48 4.20 0.00 2.92 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 29 F 8.87 4.36 0.00 3.34 3.03 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 30 G 8.45 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.23 4.34 0.00 4.01 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 0.00 32 G 7.56 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 33 F 7.97 4.44 0.00 3.11 3.39 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 34 A 8.96 4.42 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 35 A 7.91 3.97 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 P 0.00 4.05 0.00 1.42 1.77 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.05 0.00 37 F 7.83 4.15 0.00 3.35 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 38 F 8.58 3.99 0.00 3.14 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 39 I 7.66 3.82 2.06 0.00 0.00 0.84 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 0.86 0.91 0.00 0.00 40 V 8.15 3.53 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 0.96 0.00 0.00 0.83 0.00 0.00 41 R 8.15 3.79 0.00 1.69 1.92 0.00 2.85 0.00 0.00 2.80 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 42 H 8.08 4.09 0.00 3.26 3.53 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.41 4.08 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 44 L 8.15 4.09 0.00 1.79 1.69 0.90 0.47 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 45 L 7.40 4.34 0.00 1.62 1.68 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.41 4.24 0.00 1.68 1.81 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.40 7.81 47 K 7.21 3.94 0.00 1.61 1.64 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.19 1.13 7.81