NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8587 8.4549 115.4385 56.0798 38.5806 173.3346 2 S 4.0196 7.9976 121.0159 55.1419 69.3517 175.0691 3 Q 3.6427 10.6734 124.7055 59.0296 27.6319 172.3479 4 N 4.4378 7.8743 106.6254 55.3279 37.4669 174.0457 5 E 5.5284 7.4664 118.9374 56.7068 32.6230 174.9174 6 Y 4.7514 8.0043 116.5771 57.2834 41.8624 173.7669 7 F 5.0019 9.0166 124.4273 57.1013 40.2920 174.6688 8 D 4.5230 8.2471 128.4456 53.8187 41.2128 177.3437 9 S 4.0019 8.6777 122.7746 60.5846 63.3855 175.5012 10 L 4.0580 8.4374 122.6096 57.0387 41.8830 177.3031 11 L 4.2948 7.8300 115.1419 53.9024 42.7537 175.4940 12 H 3.6462 7.9409 114.9744 56.0600 26.7522 173.0537 13 A 4.8514 6.7299 118.4196 51.3603 23.5324 176.2826 14 C 5.2026 8.6978 115.9317 55.7452 36.1395 174.0456 15 I 4.5641 8.0471 124.6150 58.3093 40.7722 173.4485 16 P 4.4471 0.0000 0.0000 63.2571 31.7317 177.8194 17 C 3.9513 8.7949 122.2333 60.4387 38.9974 176.1585 18 Q 3.6089 7.5153 118.4600 59.2746 28.0536 179.4037 19 L 3.8969 7.5539 118.5349 58.2638 41.8629 179.9536 20 R 3.9895 7.7723 115.9024 59.2861 29.9377 178.8918 21 C 4.1494 8.0299 116.4965 60.3045 40.8380 174.3949 22 S 3.7472 7.8903 115.2937 58.5697 61.9501 174.0977 23 S 3.8905 8.0314 109.0501 59.4057 61.3318 170.0565 24 N 5.0394 7.5397 115.3656 52.1135 42.2499 174.2874 25 T 4.0422 8.2527 116.3722 62.6432 68.6464 173.5542 26 P 4.3691 0.0000 0.0000 62.1554 32.4449 174.5760 27 P 5.0267 0.0000 0.0000 61.4697 33.3428 174.2168 28 L 4.1479 8.5134 121.2896 56.0167 43.0584 176.7024 29 T 3.6380 8.0550 111.7569 63.4275 65.4058 173.2515 30 C 4.9886 7.6782 119.1751 56.5401 43.9253 177.0848 31 Q 3.9500 8.3739 118.8408 59.0202 28.3577 177.9359 32 R 3.9101 8.1106 118.3718 59.7959 30.1024 177.5831 33 Y 4.0779 8.1878 118.1386 61.5013 38.8246 179.0672 34 C 4.3791 8.0913 117.0794 60.6878 38.8887 174.6817 35 N 4.4286 9.3274 119.9068 54.0786 39.0845 176.3539 36 A 4.0881 8.0992 123.4095 54.9604 19.3158 179.6337 37 S 4.2000 8.0394 109.1060 61.5704 63.2049 175.7756 38 V 3.6798 7.5538 119.9807 65.3840 31.4471 175.8697 39 T 4.0820 8.2085 121.0074 64.1376 68.3635 173.3443 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 8.45 4.86 0.00 3.11 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.00 4.02 0.00 3.97 2.91 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 3 Q 10.67 3.64 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 4 N 7.87 4.44 0.00 3.33 3.71 0.00 0.00 6.83 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.47 5.53 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.60 0.00 6 Y 8.00 4.75 0.00 3.09 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.02 5.00 0.00 2.99 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.52 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.68 4.00 0.00 3.89 3.92 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 10 L 8.44 4.06 0.00 1.51 1.83 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.83 4.29 0.00 1.49 1.57 0.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 H 7.94 3.65 0.00 3.24 3.42 0.00 5.66 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 13 A 6.73 4.85 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 5.20 0.00 2.88 3.18 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 0.00 15 I 8.05 4.56 0.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.21 0.93 0.00 0.00 16 P 0.00 4.45 0.00 2.15 2.00 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 17 C 8.79 3.95 0.00 2.43 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.52 3.61 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.03 0.00 19 L 7.55 3.90 0.00 1.70 1.80 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.77 3.99 0.00 1.68 1.77 0.00 3.33 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.81 0.00 21 C 8.03 4.15 0.00 3.13 3.16 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 0.00 22 S 7.89 3.75 0.00 4.04 4.01 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 23 S 8.03 3.89 0.00 4.19 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.54 5.04 0.00 2.92 2.69 0.00 0.00 6.88 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.25 4.04 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 26 P 0.00 4.37 0.00 1.99 1.92 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 27 P 0.00 5.03 0.00 1.76 1.73 0.00 3.46 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.70 0.00 28 L 8.51 4.15 0.00 1.64 1.65 0.93 0.87 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 29 T 8.05 3.64 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 30 C 7.68 4.99 0.00 3.04 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.37 3.95 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 32 R 8.11 3.91 0.00 1.91 2.05 0.00 3.19 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 33 Y 8.19 4.08 0.00 3.08 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 34 C 8.09 4.38 0.00 3.16 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 9.33 4.43 0.00 2.93 2.63 0.00 0.00 6.97 9.14 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 36 A 8.10 4.09 1.24 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 0.00 0.00 0.00 37 S 8.04 4.20 0.00 4.08 4.04 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 38 V 7.55 3.68 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 0.00 0.00 39 T 8.21 4.08 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00