NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4263 8.3049 120.3262 55.1271 33.6866 174.8095 2 E 4.3572 8.1339 118.3591 53.3560 31.0159 174.0015 3 P 4.2063 0.0000 0.0000 63.0379 32.8335 175.2992 4 N 4.6091 8.5487 121.5807 52.3798 39.8583 173.0330 5 P 4.3418 0.0000 0.0000 66.2103 31.9968 176.1055 6 N 4.5535 7.9686 117.5635 53.1474 37.1409 174.7697 7 R 4.6143 7.5159 113.5712 55.5951 31.6499 176.1749 8 Q 3.8663 8.2378 115.8921 55.8161 29.0804 176.0031 9 P 4.5501 0.0000 0.0000 62.2584 32.4686 175.3659 10 V 4.4919 7.9797 117.4106 61.2245 34.1810 174.2134 11 E 4.5333 8.3879 124.2778 54.2670 32.0872 175.3309 12 L 4.1766 8.1822 127.7317 54.3819 43.1036 174.1113 13 N 4.6949 8.5519 124.0860 51.8040 38.5778 176.4482 14 R 3.7546 8.2320 118.9554 59.4753 30.2382 177.6154 15 T 4.6597 7.8090 114.3625 65.8825 69.4966 176.5589 16 S 3.7437 7.6790 114.5863 61.7642 62.2167 176.3285 17 L 3.9851 7.9659 122.8847 58.2160 41.6930 178.5464 18 Y 4.1123 8.6857 117.8756 60.8207 37.6630 178.6058 19 L 4.1114 8.0441 119.6220 57.8116 42.0826 179.1123 20 G 3.8974 8.5625 106.0129 48.2815 0.0000 175.5626 21 L 4.0408 8.2182 121.4713 57.3629 41.8027 179.3745 22 L 3.9843 8.2750 120.5441 57.6592 41.6895 178.9185 23 L 4.0234 8.6087 121.2162 58.1923 42.0328 178.9453 24 I 3.7819 7.7258 119.5157 64.4878 37.2997 178.2723 25 L 3.9681 8.1869 120.0598 58.2909 41.3198 179.6686 26 V 3.7386 7.5308 117.4354 65.3533 31.4781 177.6368 27 L 4.0998 7.8696 118.0454 58.0738 41.6965 179.3713 28 A 4.2840 8.3850 120.7329 55.5511 18.0718 179.5359 29 L 4.0351 7.5818 116.5918 58.0289 42.1637 178.7025 30 L 4.1840 8.5013 120.4217 58.3415 42.5627 178.7623 31 F 4.2466 9.9922 119.1640 60.2096 38.7278 177.7128 32 S 4.2811 8.4223 114.0977 61.8416 62.6575 176.6309 33 S 4.2237 8.2909 119.0899 61.4118 62.6324 176.5000 34 Y 4.2849 7.7739 117.7694 59.8940 37.4496 177.1510 35 F 4.8131 8.3351 117.6780 58.3564 39.4144 176.4027 36 F 4.7174 7.9731 116.4062 56.1859 40.1159 175.0029 37 N 4.6129 7.7113 121.2512 54.0312 40.3613 173.3921 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 M 8.30 4.43 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 E 8.13 4.36 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 3 P 0.00 4.21 0.00 2.03 2.01 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 4 N 8.55 4.61 0.00 2.66 2.70 0.00 0.00 7.16 7.69 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 5 P 0.00 4.34 0.00 2.21 2.16 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 6 N 7.97 4.55 0.00 2.73 2.86 0.00 0.00 6.69 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 7 R 7.52 4.61 0.00 1.75 1.88 0.00 3.41 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 8 Q 8.24 3.87 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.11 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 9 P 0.00 4.55 0.00 2.03 2.02 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 10 V 7.98 4.49 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 0.92 0.00 0.00 11 E 8.39 4.53 0.00 1.90 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 0.00 2.17 2.20 0.00 12 L 8.18 4.18 0.00 1.58 1.50 0.90 0.98 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 13 N 8.55 4.69 0.00 2.92 2.93 0.00 0.00 5.76 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 14 R 8.23 3.75 0.00 1.85 2.09 0.00 3.30 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 15 T 7.81 4.66 4.32 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 1.29 0.00 0.00 16 S 7.68 3.74 0.00 3.83 4.09 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 17 L 7.97 3.99 0.00 1.70 1.60 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.69 4.11 0.00 3.19 2.95 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 19 L 8.04 4.11 0.00 1.86 1.74 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.56 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 4.04 0.00 1.89 1.75 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.28 3.98 0.00 1.82 1.86 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.61 4.02 0.00 1.77 1.90 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.73 3.78 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.92 0.00 0.00 25 L 8.19 3.97 0.00 1.82 1.80 0.96 1.18 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 26 V 7.53 3.74 2.43 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 1.10 0.00 0.00 1.00 0.00 0.00 27 L 7.87 4.10 0.00 1.69 1.66 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.39 4.28 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.58 4.04 0.00 1.90 1.95 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.50 4.18 0.00 1.79 2.15 1.04 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.99 4.25 0.00 3.08 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.42 4.28 0.00 4.33 4.56 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 33 S 8.29 4.22 0.00 3.42 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 34 Y 7.77 4.28 0.00 2.83 2.80 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 35 F 8.34 4.81 0.00 3.11 2.67 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 0.00 0.00 0.00 36 F 7.97 4.72 0.00 3.28 3.04 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 37 N 7.71 4.61 0.00 3.08 2.86 0.00 0.00 7.00 7.44 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