NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1136 8.3144 119.9965 57.4046 33.7865 170.8816 3 V 3.2086 8.6614 131.6552 61.4685 33.0294 170.5458 4 R 4.6248 8.8789 127.8135 53.6064 30.7552 172.3710 5 S 4.3948 7.2161 113.5111 57.9041 66.9959 174.7603 6 S 4.1820 8.6598 116.4086 59.7214 61.0038 174.0940 7 V 4.2917 7.9365 118.7248 59.6927 32.6882 175.6263 8 K 3.6961 8.1718 122.1247 55.5982 31.3125 175.3062 9 K 3.7000 8.6360 118.3726 59.7425 31.9518 174.4636 10 M 2.7237 8.4814 128.0337 55.5808 31.1559 173.0459 11 C 3.7692 8.5542 130.1903 59.1367 26.4803 173.6355 12 D 4.4768 8.8574 124.9000 57.0605 40.8611 177.3904 13 N 4.2943 8.1859 116.7458 56.0576 39.0613 173.6232 14 C 4.6458 8.2804 115.9258 58.3143 27.1123 173.5331 15 K 4.1646 8.2655 124.0421 56.4387 32.3113 178.2523 16 V 4.0208 8.2461 114.1687 61.3579 31.9724 173.3325 17 V 3.1293 7.7849 126.7880 62.0197 32.3403 171.0021 18 R 4.5101 8.5614 126.9187 54.7473 31.0047 174.1131 19 R 4.4843 8.5560 122.8742 56.0723 32.1873 175.8233 20 H 4.6731 10.3908 120.5331 55.5440 31.7018 174.1080 21 G 4.2629 6.9579 118.3407 45.3926 0.0000 171.3231 22 R 4.9697 7.3298 123.7115 55.0389 33.8408 174.7849 23 V 4.2942 8.0384 112.1205 61.7839 35.7722 175.6698 24 L 3.6318 7.1555 120.5484 54.3614 40.1039 173.9197 25 V 4.0970 7.2253 111.4330 61.8635 33.3226 172.2326 26 I 4.7178 8.2712 126.6481 61.8618 38.0834 176.2211 27 C 4.1509 7.7615 119.9154 59.1570 31.3078 175.1902 28 S 4.8374 8.3151 108.5704 56.4498 65.4512 173.2043 29 N 4.6247 8.3719 120.6641 53.6856 45.1936 175.6998 30 V 4.2715 8.5535 118.1605 61.6948 34.2687 171.7658 31 K 4.2167 8.4126 133.5381 56.7401 36.6662 174.6572 32 H 4.9268 8.0243 112.1020 53.9442 31.4230 173.3320 33 K 4.5102 8.3968 123.6404 54.6350 31.7677 175.0284 34 Q 4.3842 7.8467 121.0997 54.8811 30.2953 175.6251 35 R 4.3520 7.7601 116.2721 56.0848 32.6370 174.2595 36 Q 4.2296 8.7747 120.6659 56.2934 28.8768 175.3521 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 K 8.31 4.11 0.00 1.88 1.90 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.38 7.81 3 V 8.66 3.21 2.08 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 0.70 0.00 0.00 0.93 0.00 0.00 4 R 8.88 4.62 0.00 1.74 1.76 0.00 3.32 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 5 S 7.22 4.39 0.00 3.84 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 6 S 8.66 4.18 0.00 3.82 3.82 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 0.00 0.00 0.00 7 V 7.94 4.29 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 0.85 0.00 0.00 0.96 0.00 0.00 8 K 8.17 3.70 0.00 1.85 1.78 0.00 1.65 0.00 0.00 1.70 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 9 K 8.64 3.70 0.00 1.74 1.89 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 10 M 8.48 2.72 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 11 C 8.55 3.77 0.00 3.19 2.96 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 0.00 0.00 0.00 12 D 8.86 4.48 0.00 2.63 2.73 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 0.00 0.00 0.00 13 N 8.19 4.29 0.00 2.76 2.99 0.00 0.00 7.25 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 14 C 8.28 4.65 0.00 3.00 2.88 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 0.00 0.00 0.00 15 K 8.27 4.16 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 16 V 8.25 4.02 2.08 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 0.99 0.00 0.00 0.93 0.00 0.00 17 V 7.78 3.13 2.09 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 0.73 0.00 0.00 0.93 0.00 0.00 18 R 8.56 4.51 0.00 1.79 1.82 0.00 3.23 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 19 R 8.56 4.48 0.00 1.81 1.73 0.00 3.23 0.00 0.00 3.24 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 20 H 10.39 4.67 0.00 3.06 3.34 0.00 5.99 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 21 G 6.96 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 0.00 0.00 0.00 0.00 22 R 7.33 4.97 0.00 1.77 2.07 0.00 3.49 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 23 V 8.04 4.29 2.08 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 0.83 0.00 0.00 0.93 0.00 0.00 24 L 7.16 3.63 0.00 2.02 1.71 0.94 0.91 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 25 V 7.23 4.10 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 0.72 0.00 0.00 0.96 0.00 0.00 26 I 8.27 4.72 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.92 0.00 0.00 27 C 7.76 4.15 0.00 3.21 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 28 S 8.32 4.84 0.00 3.80 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 29 N 8.37 4.62 0.00 2.67 2.40 0.00 0.00 6.71 7.71 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 30 V 8.55 4.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.92 0.00 0.00 31 K 8.41 4.22 0.00 1.54 1.43 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.96 0.75 7.81 32 H 8.02 4.93 0.00 3.18 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.40 4.51 0.00 1.67 1.73 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.48 7.81 34 Q 7.85 4.38 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 35 R 7.76 4.35 0.00 1.70 1.73 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 36 Q 8.77 4.23 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00