NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8305 7.8774 120.0355 56.7323 44.9754 174.7019 2 G 3.6510 7.8201 105.4601 44.4091 0.0000 169.7441 3 E 4.4045 7.7772 119.8492 55.0057 32.3123 172.7479 4 T 4.8825 8.8041 113.5037 60.2164 71.5182 174.4132 5 C 4.6913 8.4996 122.3438 56.3396 39.5791 175.3994 6 L 3.8550 7.6067 120.7050 57.8124 41.8701 179.3707 7 L 4.1450 7.7059 116.5658 55.4643 42.0726 176.4267 8 G 3.7855 6.9459 110.3015 46.1300 0.0000 174.3512 9 T 4.7124 7.3991 113.9325 61.8657 72.5363 174.0590 10 C 4.6030 8.6480 121.6880 57.5737 40.7422 173.8323 11 Y 4.0153 8.6961 121.0676 59.7927 38.0293 176.3686 12 T 4.1899 7.7834 117.4104 63.0748 69.3002 173.8724 13 T 4.0512 8.3163 116.0998 62.7500 69.5611 175.1597 14 G 3.9378 8.9274 112.3497 45.5987 0.0000 172.9153 15 C 5.1564 7.5843 116.5273 55.6751 37.6588 173.3637 16 T 4.7922 8.6399 113.4057 59.9732 71.9266 172.6132 17 C 5.1311 8.6943 120.8881 56.1513 39.2072 173.3534 18 N 4.8498 9.4078 122.5350 51.2829 38.5301 176.1823 19 K 3.8438 8.6721 120.7857 60.1876 32.3335 176.5448 20 Y 4.5659 9.0367 117.0453 57.2639 38.5424 174.6599 21 R 3.8461 8.6945 117.7093 57.6493 29.2244 175.2840 22 V 4.8828 7.4276 114.3057 60.6021 35.0699 175.0778 23 C 5.1188 9.5955 126.7424 57.4235 41.6274 173.2801 24 T 4.5632 9.1660 113.4568 60.3086 70.9949 174.1200 25 K 4.4429 9.3783 127.3309 57.4752 33.0750 176.6919 26 D 4.6988 8.9281 116.3622 52.9566 40.6839 177.9762 27 G 4.9203 7.6428 119.1336 46.5488 0.0000 172.8392 28 S 4.3506 7.9340 117.2360 58.0049 63.4348 174.7791 29 V 3.6826 8.3670 124.6316 65.7838 32.1262 176.6500 30 L 4.3623 7.6109 122.1734 53.0663 40.5840 175.7534 31 N 4.3839 7.6176 123.0132 54.2752 38.7418 173.5542 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 C 7.88 4.83 0.00 3.03 3.14 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 2 G 7.82 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 0.00 0.00 0.00 3 E 7.78 4.40 0.00 2.06 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 2.34 2.34 0.00 4 T 8.80 4.88 4.16 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 0.00 0.00 0.00 1.13 0.00 0.00 5 C 8.50 4.69 0.00 3.01 3.22 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 6 L 7.61 3.86 0.00 1.58 1.69 0.87 1.01 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 7 L 7.71 4.14 0.00 1.70 1.79 0.44 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 G 6.95 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 0.00 0.00 0.00 9 T 7.40 4.71 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 1.22 0.00 0.00 10 C 8.65 4.60 0.00 3.11 3.08 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 11 Y 8.70 4.02 0.00 2.84 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 12 T 7.78 4.19 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 13 T 8.32 4.05 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 1.21 0.00 0.00 14 G 8.93 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.58 5.16 0.00 3.05 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 16 T 8.64 4.79 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 17 C 8.69 5.13 0.00 2.89 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 18 N 9.41 4.85 0.00 2.93 3.06 0.00 0.00 6.36 7.61 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 19 K 8.67 3.84 0.00 1.77 1.97 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.46 7.81 20 Y 9.04 4.57 0.00 2.81 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.69 3.85 0.00 1.93 1.76 0.00 3.04 0.00 0.00 3.01 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 22 V 7.43 4.88 2.19 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 1.05 0.00 0.00 0.93 0.00 0.00 23 C 9.60 5.12 0.00 3.14 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 24 T 9.17 4.56 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 1.30 0.00 0.00 25 K 9.38 4.44 0.00 1.74 1.86 0.00 1.80 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.45 7.81 26 D 8.93 4.70 0.00 2.82 2.77 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 0.00 27 G 7.64 4.92 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 28 S 7.93 4.35 0.00 3.88 3.81 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 0.00 0.00 0.00 29 V 8.37 3.68 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.96 0.00 0.00 30 L 7.61 4.36 0.00 1.63 1.60 0.93 0.87 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 31 N 7.62 4.38 0.00 2.72 2.70 0.00 0.00 7.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00