NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1142 8.3144 119.9965 57.4009 33.7867 170.8826 3 V 3.2043 8.6601 131.6478 61.4635 33.0404 170.5566 4 R 4.6254 8.8785 127.7858 53.6112 30.7575 172.3647 5 S 4.3951 7.2145 113.4952 57.9124 66.9966 174.7759 6 S 4.1827 8.6601 116.4029 59.7239 60.9935 174.0929 7 V 4.2918 7.9336 118.7071 59.6947 32.6866 175.6233 8 K 3.6995 8.1721 122.1635 55.5857 31.3115 175.3146 9 K 3.7005 8.6309 118.3719 59.7332 31.9551 174.4541 10 M 2.7237 8.4749 128.1057 55.5753 31.1536 173.0890 11 C 3.7702 8.5559 130.1060 59.1477 26.4503 173.6357 12 D 4.4728 8.8537 124.8902 57.0494 40.8670 177.3890 13 N 4.2951 8.1839 116.7343 56.0388 39.0651 173.6270 14 C 4.6479 8.2808 115.9387 58.3132 27.1293 173.5412 15 K 4.1669 8.2664 124.0560 56.4372 32.3104 178.2513 16 V 4.0219 8.2451 114.1572 61.3495 31.9756 173.3303 17 V 3.1289 7.7863 126.7921 62.0175 32.3445 171.0094 18 R 4.5059 8.5612 126.9166 54.7520 30.9517 174.1183 19 R 4.4814 8.5381 122.9084 56.0401 32.2442 175.8450 20 H 4.6749 10.3698 120.5306 55.5255 31.7182 174.0974 21 G 4.2673 6.9588 118.3751 45.3934 0.0000 171.3119 22 R 4.9675 7.3332 123.7281 55.0272 33.8477 174.7939 23 V 4.2918 8.0314 112.1218 61.7753 35.7418 175.6815 24 L 3.6328 7.1567 120.5536 54.3467 40.0732 173.9203 25 V 4.0976 7.2234 111.4423 61.8645 33.3213 172.2294 26 I 4.7195 8.2699 126.6523 61.8361 38.0789 176.2068 27 C 4.1448 7.7684 119.8560 59.1788 31.2711 175.1443 28 S 4.8440 8.3146 108.5038 56.4536 65.4591 173.2142 29 N 4.6231 8.3716 120.6787 53.6976 45.1809 175.7266 30 V 4.2708 8.5568 118.2189 61.6950 34.2434 171.7577 31 K 4.2174 8.4096 133.5062 56.7380 36.6924 174.6618 32 H 4.9263 8.0250 112.1049 53.9416 31.4228 173.3329 33 K 4.5100 8.3972 123.6565 54.6354 31.7662 175.0252 34 Q 4.3826 7.8468 121.0477 54.8803 30.2912 175.6207 35 R 4.3521 7.7543 116.2955 56.0917 32.6331 174.2506 36 Q 4.2304 8.7736 120.6272 56.2920 28.8741 175.3529 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 3.32 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 7.21 4.40 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 0.84 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 8.63 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 8.47 2.72 0.00 2.10 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 8.56 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 4.47 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 8.18 4.30 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 4.17 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 7.79 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 8.54 4.48 0.00 1.82 1.74 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 10.37 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 4.27 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 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 8.03 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 2.01 1.71 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 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 0.95 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 7.77 4.14 0.00 3.21 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 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 8.02 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 2.19 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 8.77 4.23 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00