NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3892 8.2893 120.3503 56.6199 32.5871 176.0148 2 K 4.5973 7.5288 121.1528 56.4556 30.5486 175.5690 3 R 3.1840 6.9862 118.6893 59.5052 32.3172 178.1547 4 T 4.5150 8.0658 109.0825 63.1363 73.2166 174.9643 5 W 4.4139 8.3240 132.3292 56.7156 30.8528 175.2912 6 Q 4.0241 7.1844 125.1613 53.0881 28.7738 171.3096 7 P 3.8899 0.0000 0.0000 61.6013 30.6087 173.5297 8 N 4.8780 7.6254 119.2111 50.9983 42.1491 173.4853 9 R 4.0698 9.3539 126.7821 57.5932 29.5138 179.6410 10 R 3.7627 9.0379 121.8513 59.6123 30.9282 178.7063 11 K 3.7302 8.2440 119.7288 59.2999 31.8203 177.6238 12 R 4.0617 7.9725 118.1088 59.8631 29.9814 178.2093 13 A 4.0965 7.8457 119.2430 54.4676 18.1125 179.0068 14 K 4.1529 8.4058 116.2597 58.5608 33.3012 178.5732 15 T 4.1067 7.7414 113.5159 65.7098 68.5761 174.5027 16 H 4.9776 8.5511 115.3916 57.7070 36.2973 173.8210 17 G 4.2486 7.7699 107.1765 44.0794 0.0000 173.8381 18 F 3.3454 9.0379 115.6373 61.4772 39.6101 177.8284 19 R 3.6841 9.8243 117.5435 60.1562 30.2306 178.3148 20 A 3.5539 7.0492 115.3023 55.7213 19.6669 178.6685 21 R 4.0069 8.6594 112.8252 58.9951 30.6850 178.8519 22 M 3.6754 7.6928 116.8791 56.5799 33.2166 177.0848 23 R 4.6270 10.6400 113.2932 52.9782 31.1672 174.7869 24 T 4.1843 7.0515 109.7455 60.5479 70.5741 171.9744 25 P 4.3831 0.0000 0.0000 65.6313 31.9678 178.1273 26 G 3.6850 8.2413 108.0230 48.3928 0.0000 175.8590 27 G 3.5948 8.6942 108.4621 47.3954 0.0000 175.5298 28 R 4.1778 8.4171 119.4953 56.9051 29.5801 178.8366 29 K 3.9913 7.8919 121.1008 59.4899 32.2211 178.5831 30 V 3.5928 7.5722 118.3244 66.7936 31.2646 176.9113 31 L 3.6471 8.1771 114.5761 58.5129 41.2235 178.7308 32 K 3.5716 7.8894 118.6615 61.0160 32.5869 178.1848 33 R 3.9249 7.9337 116.6882 58.8769 29.4403 178.5869 34 R 3.9206 8.9105 118.4884 60.1647 30.4833 178.5602 35 R 4.0030 8.6142 117.8437 59.5251 30.1008 176.9090 36 Q 4.4047 8.6439 116.5240 56.0219 29.0511 177.3103 37 K 4.0235 7.9196 120.6240 60.3770 32.2813 176.8634 38 G 3.5180 7.0825 108.4622 45.2866 0.0000 174.1211 39 R 3.9917 7.5164 120.0223 56.0915 30.8644 176.7597 40 W 4.6229 8.4488 121.0098 59.9547 29.7864 178.7028 41 R 4.4283 7.7890 117.2209 55.1177 27.3428 175.8121 42 L 4.1553 8.0453 121.4369 57.4539 42.2270 178.3542 43 T 4.3717 8.1290 109.3843 61.8752 69.9511 172.4243 44 P 4.0210 0.0000 0.0000 62.2312 28.0915 175.1624 45 A 4.2674 8.0884 124.9065 52.2735 19.1969 177.1586 46 V 4.6065 7.9419 117.9588 61.2827 34.9960 174.7705 47 R 4.7608 8.6559 119.4697 56.2451 32.2231 175.3784 48 K 3.9944 8.5696 116.3720 58.3978 31.9211 174.0784 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 8.29 4.39 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 K 7.53 4.60 0.00 2.01 1.83 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.45 7.81 3 R 6.99 3.18 0.00 1.90 1.85 0.00 3.19 0.00 0.00 3.30 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 4 T 8.07 4.52 4.33 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 1.25 0.00 0.00 5 W 8.32 4.41 0.00 3.37 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 6 Q 7.18 4.02 0.00 1.73 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.88 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 7 P 0.00 3.89 0.00 1.96 2.09 0.00 3.34 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.35 0.00 8 N 7.63 4.88 0.00 2.57 2.53 0.00 0.00 7.30 7.65 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 9 R 9.35 4.07 0.00 1.93 1.71 0.00 3.23 0.00 0.00 3.42 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 10 R 9.04 3.76 0.00 2.01 2.18 0.00 3.00 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 11 K 8.24 3.73 0.00 1.94 1.98 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.60 7.81 12 R 7.97 4.06 0.00 2.07 2.07 0.00 3.50 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.96 0.00 13 A 7.85 4.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 4.15 0.00 1.82 1.85 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.50 7.81 15 T 7.74 4.11 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 16 H 8.55 4.98 0.00 3.14 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.77 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 0.00 0.00 0.00 0.00 18 F 9.04 3.35 0.00 3.17 2.90 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 19 R 9.82 3.68 0.00 1.94 2.04 0.00 3.39 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 20 A 7.05 3.55 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.66 4.01 0.00 2.03 1.95 0.00 3.18 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 22 M 7.69 3.68 0.00 1.62 1.68 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 1.25 2.25 0.00 23 R 10.64 4.63 0.00 1.74 1.77 0.00 3.24 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 24 T 7.05 4.18 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 1.26 0.00 0.00 25 P 0.00 4.38 0.00 2.21 2.16 0.00 3.80 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 1.96 0.00 26 G 8.24 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 27 G 8.69 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.42 4.18 0.00 1.92 1.95 0.00 3.08 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 29 K 7.89 3.99 0.00 2.06 1.74 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.58 7.81 30 V 7.57 3.59 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 0.97 0.00 0.00 0.93 0.00 0.00 31 L 8.18 3.65 0.00 1.90 1.57 0.82 0.84 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 32 K 7.89 3.57 0.00 1.86 1.84 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.34 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.53 7.81 33 R 7.93 3.92 0.00 2.08 1.82 0.00 3.20 0.00 0.00 3.16 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.00 0.00 34 R 8.91 3.92 0.00 1.79 2.02 0.00 3.29 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 35 R 8.61 4.00 0.00 1.73 2.10 0.00 3.27 0.00 0.00 3.25 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 36 Q 8.64 4.40 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 37 K 7.92 4.02 0.00 1.99 1.94 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.37 7.81 38 G 7.08 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.52 3.99 0.00 1.79 1.86 0.00 3.13 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 40 W 8.45 4.62 0.00 3.38 3.07 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 0.00 0.00 0.00 0.00 41 R 7.79 4.43 0.00 1.82 1.94 0.00 3.23 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 42 L 8.05 4.16 0.00 1.73 1.83 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.13 4.37 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 1.29 0.00 0.00 44 P 0.00 4.02 0.00 2.19 2.04 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 45 A 8.09 4.27 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 46 V 7.94 4.61 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 0.93 0.00 0.00 1.06 0.00 0.00 47 R 8.66 4.76 0.00 1.91 1.91 0.00 3.24 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 48 K 8.57 3.99 0.00 1.95 1.86 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.19 7.81