NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1142 8.3144 119.9965 57.3994 33.7842 170.8817 3 V 3.2030 8.6593 131.6598 61.4611 33.0439 170.5550 4 R 4.6269 8.8826 127.7866 53.6254 30.7579 172.3597 5 S 4.3947 7.2133 113.4832 57.9116 66.9907 174.7548 6 S 4.1830 8.6575 116.4161 59.7198 61.0028 174.0956 7 V 4.2926 7.9350 118.7262 59.6915 32.6901 175.6338 8 K 3.6943 8.1739 122.0959 55.6072 31.3100 175.3056 9 K 3.7007 8.6361 118.3627 59.7411 31.9521 174.4687 10 M 2.7227 8.4847 127.9900 55.5859 31.1695 173.0616 11 C 3.7681 8.5547 130.1715 59.1388 26.4424 173.6286 12 D 4.4828 8.8540 124.9019 57.0557 40.8631 177.3924 13 N 4.2942 8.1867 116.7423 56.0502 39.0612 173.6240 14 C 4.6466 8.2770 115.9267 58.3122 27.1168 173.5371 15 K 4.1649 8.2662 124.0413 56.4435 32.3115 178.2440 16 V 4.0236 8.2444 114.1435 61.3448 31.9782 173.3241 17 V 3.1340 7.7879 126.8206 62.0106 32.3547 170.9970 18 R 4.5102 8.5620 126.9033 54.7448 31.0075 174.1091 19 R 4.4823 8.5565 122.8884 56.0641 32.1984 175.8365 20 H 4.6735 10.3928 120.5401 55.5435 31.7087 174.0849 21 G 4.2531 6.9591 118.2644 45.3831 0.0000 171.3328 22 R 4.9695 7.3316 123.7557 55.0413 33.8370 174.7839 23 V 4.2975 8.0434 112.1104 61.7522 35.7763 175.6480 24 L 3.6262 7.1563 120.4649 54.3929 40.0767 173.9157 25 V 4.0985 7.2239 111.4235 61.8638 33.3216 172.2204 26 I 4.7172 8.2709 126.6326 61.8605 38.0822 176.2211 27 C 4.1503 7.7588 119.8500 59.1565 31.3181 175.1624 28 S 4.8403 8.3126 108.6389 56.4422 65.4452 173.2071 29 N 4.6202 8.3701 120.6971 53.6976 45.1899 175.7148 30 V 4.2704 8.5557 118.2561 61.6987 34.2486 171.7637 31 K 4.2162 8.4094 133.5344 56.7366 36.6765 174.6584 32 H 4.9274 8.0253 112.1014 53.9426 31.4206 173.3321 33 K 4.5092 8.3964 123.6494 54.6333 31.7673 175.0241 34 Q 4.3827 7.8474 121.0817 54.8605 30.2938 175.6215 35 R 4.3511 7.7500 116.2980 56.0988 32.6270 174.2373 36 Q 4.2303 8.7761 120.6589 56.2924 28.8745 175.3510 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 3.20 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 4.63 0.00 1.74 1.76 0.00 3.33 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 7.21 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 7.93 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 0.86 0.00 0.00 0.95 0.00 0.00 8 K 8.17 3.69 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 2.05 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 8.85 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 8.24 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 7.79 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 1.82 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 4.25 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 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 4.30 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 1.99 1.71 0.94 0.90 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 7.22 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 0.93 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 8.31 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 2.39 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 8.56 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 8.03 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 3.01 0.00 0.00 0.00 0.00 1.30 1.48 7.81 34 Q 7.85 4.38 0.00 2.19 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 7.75 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 8.78 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