NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1742 8.3149 120.1193 56.7407 33.4251 173.5384 2 T 4.3575 7.9568 116.0939 62.0301 71.3034 173.3907 3 Y 4.5098 8.5007 120.3646 56.4187 38.2451 174.4204 4 Q 5.0829 8.0139 122.9743 53.6152 32.6961 173.8721 5 C 4.4627 8.8311 124.4827 59.3688 32.6701 172.9845 6 Q 4.5347 8.4891 117.8634 55.6100 29.4840 175.8708 7 Y 4.5477 8.0207 114.4755 59.4394 41.2944 175.2372 8 C 4.5492 9.5458 110.6758 59.2644 31.9338 172.6132 9 E 4.5840 7.3523 122.9186 55.0750 29.0815 175.8144 10 L 4.8471 7.4129 122.2958 54.2386 45.3481 175.4911 11 R 4.9985 8.4382 119.2495 54.6797 32.2090 174.6123 12 S 4.8254 9.1959 116.1632 57.2621 67.2768 174.1961 13 A 4.3662 8.6034 120.6087 52.8309 20.7597 175.5309 14 D 3.9499 7.3659 112.7113 51.9496 44.5751 173.8550 15 S 4.8891 7.7481 115.2805 56.7420 65.1996 174.6212 16 S 4.6585 8.3079 122.7219 57.9123 61.7716 174.4720 17 N 4.8208 7.9284 114.9691 53.5698 39.7297 174.7551 18 L 4.6294 7.6852 119.2090 56.1152 43.4870 178.0588 19 K 3.9528 8.1140 117.7850 59.9441 31.8746 178.8055 20 T 3.8925 7.5830 115.8191 67.4324 68.4456 175.3698 21 H 4.1007 8.3702 119.0550 59.3489 29.8074 176.5869 22 I 3.7076 8.0060 120.6500 65.0219 37.0034 177.7716 23 K 4.1667 8.5189 120.8444 60.2522 30.4910 178.6364 24 T 3.8314 7.9551 115.2603 66.2423 68.4044 176.3776 25 K 3.9818 7.7005 116.9412 56.9942 32.5774 177.0196 26 H 4.6656 8.2444 114.9305 56.0367 31.6539 174.3011 27 S 4.7392 7.6425 114.0068 57.5040 63.1836 174.9891 28 K 4.2949 8.0839 120.7395 58.5862 35.2013 175.8289 29 E 4.1766 7.4953 113.0549 57.9393 31.1898 175.7497 30 K 4.8431 7.2800 123.6365 55.7766 33.0871 173.7433 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 K 8.31 4.17 0.00 1.60 1.72 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.40 7.81 2 T 7.96 4.36 4.22 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 1.30 0.00 0.00 3 Y 8.50 4.51 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.01 5.08 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.49 0.00 5 C 8.83 4.46 0.00 3.07 2.94 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 6 Q 8.49 4.53 0.00 1.54 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.59 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 7 Y 8.02 4.55 0.00 2.43 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 9.55 4.55 0.00 3.14 3.13 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 0.00 0.00 0.00 0.00 9 E 7.35 4.58 0.00 2.20 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 0.00 2.09 2.05 0.00 10 L 7.41 4.85 0.00 1.66 1.32 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.44 5.00 0.00 1.83 1.87 0.00 3.04 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 12 S 9.20 4.83 0.00 3.96 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 13 A 8.60 4.37 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 14 D 7.37 3.95 0.00 2.44 2.28 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 15 S 7.75 4.89 0.00 4.35 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.66 0.00 3.95 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 17 N 7.93 4.82 0.00 2.62 2.91 0.00 0.00 6.79 7.55 0.00 0.00 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 L 7.69 4.63 0.00 1.88 1.72 1.11 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.11 3.95 0.00 1.93 1.90 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.67 7.81 20 T 7.58 3.89 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 21 H 8.37 4.10 0.00 3.27 3.54 0.00 5.91 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.01 3.71 2.16 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.82 1.10 0.00 0.00 23 K 8.52 4.17 0.00 1.83 2.10 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.42 7.81 24 T 7.96 3.83 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 25 K 7.70 3.98 0.00 1.31 1.61 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.35 7.81 26 H 8.24 4.67 0.00 2.80 2.29 0.00 5.59 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.64 4.74 0.00 3.85 3.88 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 28 K 8.08 4.29 0.00 1.88 1.89 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.28 1.32 7.81 29 E 7.50 4.18 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 30 K 7.28 4.84 0.00 1.75 1.97 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.48 7.81