NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2102 8.1749 117.3640 63.4534 69.7874 172.9196 3 S 4.6426 8.0894 121.3592 56.4566 66.5105 171.7817 4 Y 4.7752 9.0733 120.2295 57.0022 42.4115 174.7209 5 T 4.7951 8.5337 120.3419 61.6538 72.2816 173.0188 6 L 4.9025 8.2679 124.9868 53.5851 45.4618 175.2011 7 N 5.1065 8.3710 119.6824 52.2421 42.5998 173.4721 8 E 4.6424 8.3595 118.9952 55.7481 33.6046 174.5355 9 V 4.2119 8.1963 120.1349 61.3537 32.6160 175.6749 10 V 4.3938 8.1141 126.4691 60.3500 32.3720 172.9102 11 P 4.5896 0.0000 0.0000 61.6969 29.4095 176.8435 12 L 4.0660 8.4611 127.5834 58.7538 41.5624 178.4764 13 K 3.8116 8.0650 117.5460 59.1904 32.0183 177.6904 14 E 3.9736 7.9298 117.6112 57.5616 29.5266 177.0071 15 F 4.9855 7.7993 116.0886 57.4248 41.0954 175.9629 16 V 4.5624 7.4253 111.4147 58.3696 34.5280 173.2406 17 P 4.5646 0.0000 0.0000 62.3008 31.9904 176.8184 18 E 3.9914 8.8374 118.7726 58.6294 29.4731 177.8748 19 W 4.7477 8.0734 117.2332 54.9084 31.0346 175.4128 20 V 4.6749 8.2941 114.7435 59.8272 35.3343 174.5426 21 R 4.7600 8.3746 119.1101 54.3559 32.9784 175.4781 22 I 4.5710 7.7291 112.6152 59.0229 40.6939 176.1063 23 G 3.7356 7.1671 106.8723 46.1378 0.0000 172.1988 24 F 4.8880 8.3833 117.6111 55.7588 42.6862 174.1524 25 S 4.6586 8.3729 115.2253 57.0083 65.4043 173.0456 26 A 4.5936 8.1060 127.0637 51.3424 21.7327 175.4732 27 T 4.7563 7.9845 109.8543 60.2506 72.0670 172.6819 28 T 4.9782 8.2681 111.0605 60.1174 73.2458 175.3560 29 G 4.2653 8.4367 112.4162 45.6005 0.0000 175.0537 30 A 4.1874 9.1931 127.5054 53.7365 18.8219 178.1860 31 E 4.5716 7.8857 114.6120 55.1221 31.6833 174.3667 32 F 5.0346 6.8441 113.7263 56.3998 40.6269 172.9163 33 A 4.3708 8.0505 120.4004 51.4193 21.2898 175.7767 34 A 4.3337 8.4713 123.5073 51.7268 19.5956 177.0107 35 H 4.8729 8.6446 118.7137 53.9709 31.2836 173.2478 36 E 4.6558 8.5089 122.7675 54.4157 33.4343 174.8291 37 V 4.2081 8.0892 120.9185 61.1132 33.6558 175.3034 38 L 4.4971 8.3527 125.8761 55.9080 42.9058 176.4624 39 S 4.7723 7.6320 109.9720 57.3769 65.4620 173.4247 40 W 5.4074 8.4635 129.7553 56.6946 33.4098 173.0443 41 Y 4.8230 8.9772 125.8485 55.7135 41.2027 174.0652 42 F 4.4496 7.4479 126.8889 56.5957 42.6891 173.0362 43 H 4.4069 7.0115 125.0740 54.2877 32.6243 172.5265 44 S 4.5453 7.9239 120.1293 56.2193 65.9745 172.9996 45 E 4.5691 8.2357 118.2484 54.5684 32.2505 174.4431 46 L 4.5202 8.2510 122.6196 53.0227 44.6486 175.7326 47 A 4.2898 8.5716 129.0829 52.1251 19.4347 177.1747 48 G 3.7430 8.2873 108.4814 46.3194 0.0000 173.4820 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 T 8.17 4.21 4.20 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 0.95 0.00 0.00 3 S 8.09 4.64 0.00 3.80 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 4 Y 9.07 4.78 0.00 2.91 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 5 T 8.53 4.80 4.28 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 1.24 0.00 0.00 6 L 8.27 4.90 0.00 1.55 1.50 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.37 5.11 0.00 2.71 2.66 0.00 0.00 6.78 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 8.36 4.64 0.00 1.93 1.83 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 2.24 2.23 0.00 9 V 8.20 4.21 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 0.82 0.00 0.00 0.95 0.00 0.00 10 V 8.11 4.39 2.16 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 1.05 0.00 0.00 0.96 0.00 0.00 11 P 0.00 4.59 0.00 2.13 2.18 0.00 4.04 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 12 L 8.46 4.07 0.00 1.73 1.82 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.07 3.81 0.00 1.69 1.78 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.49 7.81 14 E 7.93 3.97 0.00 1.16 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 2.10 2.07 0.00 15 F 7.80 4.99 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.43 4.56 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.04 0.00 0.00 17 P 0.00 4.56 0.00 2.32 2.07 0.00 3.73 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 2.08 2.15 0.00 18 E 8.84 3.99 0.00 2.02 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 2.27 2.34 0.00 19 W 8.07 4.75 0.00 3.22 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 8.29 4.67 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 0.78 0.00 0.00 0.95 0.00 0.00 21 R 8.37 4.76 0.00 1.76 1.79 0.00 3.14 0.00 0.00 3.27 7.37 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 7.73 4.57 1.76 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.53 0.75 0.00 0.00 23 G 7.17 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 24 F 8.38 4.89 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 25 S 8.37 4.66 0.00 3.76 3.66 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 26 A 8.11 4.59 1.04 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 0.00 0.00 0.00 0.00 0.00 27 T 7.98 4.76 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 1.20 0.00 0.00 28 T 8.27 4.98 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 29 G 8.44 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 0.00 0.00 0.00 0.00 30 A 9.19 4.19 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 31 E 7.89 4.57 0.00 1.97 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 32 F 6.84 5.03 0.00 3.09 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 33 A 8.05 4.37 1.08 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 0.00 0.00 0.00 0.00 0.00 34 A 8.47 4.33 1.23 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 0.00 0.00 0.00 35 H 8.64 4.87 0.00 3.05 3.13 0.00 5.84 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.51 4.66 0.00 1.84 1.73 0.00 0.00 0.00 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 2.24 0.00 37 V 8.09 4.21 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.06 0.00 0.00 38 L 8.35 4.50 0.00 1.64 1.71 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.63 4.77 0.00 4.06 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 8.46 5.41 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 41 Y 8.98 4.82 0.00 2.95 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.45 0.00 2.50 2.33 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 43 H 7.01 4.41 0.00 2.79 2.86 0.00 5.92 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.92 4.55 0.00 3.90 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 45 E 8.24 4.57 0.00 2.00 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 2.10 2.24 0.00 46 L 8.25 4.52 0.00 1.44 1.44 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.57 4.29 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 48 G 8.29 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