NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5980 8.3044 120.6140 55.3341 33.5611 174.2890 2 K 4.1888 8.5836 124.9045 54.0728 34.9333 169.9525 3 V 5.1990 9.2458 130.3896 61.0046 30.9258 174.3850 4 R 4.6058 7.9912 124.3829 54.1215 32.7604 176.8165 5 S 4.1274 8.6915 114.9940 60.1355 63.0842 174.6932 6 S 4.5948 7.5969 115.2919 56.4455 60.9058 172.4985 7 V 3.8860 7.5588 122.3343 62.0016 32.5371 175.0859 8 K 4.3511 8.3273 122.8949 55.6490 34.5391 174.7509 9 K 3.9660 8.5511 119.8539 57.3983 32.5848 176.5885 10 M 4.7369 7.9508 116.7550 54.5193 34.9345 175.1311 11 C 4.7459 7.4819 111.2505 57.4970 31.9877 172.7706 12 D 4.8546 8.6314 122.1480 54.0199 39.8576 175.2167 13 N 4.9458 8.0637 116.9834 55.1592 45.7800 175.0040 14 C 3.7807 7.3894 117.5768 59.1272 27.5403 174.5302 15 K 4.3550 9.4449 128.2637 53.7723 31.0085 173.1773 16 V 3.9270 8.0627 120.6011 63.4544 32.0320 175.1774 17 V 4.1498 8.4307 128.1835 61.7966 33.8575 175.0994 18 R 5.3723 7.9459 120.9864 53.5780 29.9431 177.0067 19 R 4.1505 7.8382 122.3200 55.5122 31.9956 175.1165 20 H 3.9750 9.0235 120.8635 57.9572 29.0587 177.2460 21 G 3.8550 8.4911 112.5653 45.9052 0.0000 171.5777 22 R 4.4869 7.7915 120.0333 54.3809 32.0342 174.6543 23 V 4.4632 8.1223 123.8166 62.0439 33.0085 174.7053 24 L 4.9878 9.5431 128.3116 52.8119 46.1108 175.4654 25 V 4.7460 8.1235 118.4924 61.3009 34.7194 173.8063 26 I 4.6678 8.2875 120.6938 59.3466 39.8348 173.9697 27 C 4.8734 8.5765 126.7188 57.1105 34.3365 173.6306 28 S 4.2554 9.1746 119.7479 61.5257 62.3755 174.8703 29 N 4.4750 7.9227 118.8441 52.8845 39.4459 174.9699 30 V 3.8575 8.3975 118.2114 64.2418 32.0821 178.4810 31 K 3.9285 8.0693 116.5341 58.6617 31.9702 176.9745 32 H 4.6355 8.1042 115.1289 56.3857 29.5360 174.6019 33 K 4.1580 10.2150 119.5942 57.4288 32.2252 176.4325 34 Q 4.9981 8.1027 124.7807 54.2303 31.5790 174.9638 35 R 4.7134 7.5486 120.0975 56.7815 33.7254 175.4286 36 Q 4.8636 8.3011 126.2515 57.5572 29.1597 176.5687 37 G 3.7317 7.8710 110.2625 45.5551 0.0000 172.3569 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 M 8.30 4.60 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 2 K 8.58 4.19 0.00 1.83 1.62 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.46 7.81 3 V 9.25 5.20 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 1.03 0.00 0.00 0.98 0.00 0.00 4 R 7.99 4.61 0.00 1.79 1.80 0.00 3.17 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 5 S 8.69 4.13 0.00 3.82 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 6 S 7.60 4.59 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 3.89 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 0.87 0.00 0.00 0.93 0.00 0.00 8 K 8.33 4.35 0.00 1.83 1.70 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 1.37 7.81 9 K 8.55 3.97 0.00 1.72 1.80 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.55 7.81 10 M 7.95 4.74 0.00 1.76 1.64 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 11 C 7.48 4.75 0.00 3.07 3.01 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 12 D 8.63 4.85 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.95 0.00 2.69 2.80 0.00 0.00 7.22 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 14 C 7.39 3.78 0.00 2.97 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 15 K 9.44 4.36 0.00 1.63 1.74 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.58 7.81 16 V 8.06 3.93 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 0.73 0.00 0.00 0.92 0.00 0.00 17 V 8.43 4.15 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 0.90 0.00 0.00 0.98 0.00 0.00 18 R 7.95 5.37 0.00 1.67 1.79 0.00 3.64 0.00 0.00 3.88 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 19 R 7.84 4.15 0.00 1.82 1.91 0.00 3.25 0.00 0.00 3.16 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 20 H 9.02 3.98 0.00 3.19 3.29 0.00 6.02 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.49 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.49 0.00 1.87 1.77 0.00 3.22 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 23 V 8.12 4.46 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 0.93 0.00 0.00 0.93 0.00 0.00 24 L 9.54 4.99 0.00 1.53 1.54 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.12 4.75 2.18 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 1.09 0.00 0.00 0.92 0.00 0.00 26 I 8.29 4.67 1.88 0.00 0.00 0.86 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 0.77 0.92 0.00 0.00 27 C 8.58 4.87 0.00 3.01 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 28 S 9.17 4.26 0.00 4.02 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.48 0.00 2.65 2.71 0.00 0.00 6.99 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 8.40 3.86 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 0.78 0.00 0.00 0.92 0.00 0.00 31 K 8.07 3.93 0.00 1.71 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 32 H 8.10 4.64 0.00 3.39 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 10.21 4.16 0.00 1.83 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 34 Q 8.10 5.00 0.00 1.89 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 35 R 7.55 4.71 0.00 1.91 1.84 0.00 3.13 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 36 Q 8.30 4.86 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.50 2.26 0.00 37 G 7.87 3.73 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 0.00 0.00 0.00