NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6966 7.8774 117.5404 56.0155 42.3134 174.3543 2 G 3.5387 8.2266 106.8580 44.2781 0.0000 169.9339 3 E 4.4604 8.3947 121.1084 55.7481 32.5872 173.8889 4 S 4.8675 8.3697 116.7878 56.5534 66.3685 173.2534 5 C 5.7541 8.4938 120.8360 54.9636 41.4674 175.9583 6 V 3.6946 8.2895 121.2976 66.5914 31.6109 176.1953 7 F 4.5697 8.5040 116.0876 58.0424 40.8156 175.7422 8 I 4.7775 7.3799 111.6091 57.9099 40.5572 172.8810 9 P 4.6126 0.0000 0.0000 62.4753 31.8197 177.2341 10 C 4.4003 8.6212 118.2115 57.8573 40.7611 174.2751 11 I 3.9672 9.1860 124.1748 63.8577 37.4825 176.8984 12 S 4.5566 8.0450 114.8661 58.6547 62.3346 176.1303 13 T 4.2348 7.8112 110.8629 63.6622 69.1961 176.4010 14 L 3.9039 7.9421 121.5778 57.6116 41.9233 178.1174 15 L 4.0235 7.7554 119.3220 57.8677 42.5027 175.9715 16 G 3.2682 7.1370 109.7636 45.2459 0.0000 171.8381 17 C 4.5828 8.4058 120.3295 56.8209 41.9158 172.8082 18 S 4.8780 9.3463 121.5139 56.8827 64.9048 173.2255 19 C 4.7633 8.7441 124.1320 56.4387 44.4687 172.8618 20 K 4.5190 9.4319 128.2158 55.7387 34.4683 175.4340 21 N 4.2736 9.6732 124.6385 54.7826 37.3992 174.5700 22 K 3.9836 8.3650 112.4731 56.1776 30.1538 175.2575 23 V 4.6436 7.8617 119.4231 61.1686 34.6502 173.5193 24 C 5.2307 8.5385 124.5956 56.1353 39.6106 172.8459 25 Y 5.2169 9.1345 120.8706 56.1745 42.0753 174.6982 26 R 5.4493 9.4299 119.1541 53.8126 32.9549 174.9991 27 N 4.2462 9.8533 115.2747 54.7077 37.4178 175.3044 28 G 4.4107 9.3227 110.2429 44.9975 0.0000 177.0081 29 V 4.2219 7.1298 112.0585 60.2231 33.1373 175.6199 30 I 4.3814 8.3470 122.9549 58.7509 37.6206 174.6118 31 P 4.1585 0.0000 0.0000 63.1411 30.8968 176.1913 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 7.88 4.70 0.00 2.99 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 2 G 8.23 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 4.46 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 4 S 8.37 4.87 0.00 3.73 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 5 C 8.49 5.75 0.00 3.01 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 6 V 8.29 3.69 2.39 0.00 0.00 0.00 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 1.07 0.00 0.00 7 F 8.50 4.57 0.00 2.95 3.09 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 0.00 0.00 0.00 0.00 8 I 7.38 4.78 1.91 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 1.29 0.98 0.00 0.00 9 P 0.00 4.61 0.00 2.08 2.04 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 10 C 8.62 4.40 0.00 3.04 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 9.19 3.97 1.87 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 1.18 0.37 0.91 0.00 0.00 12 S 8.05 4.56 0.00 3.87 3.90 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 13 T 7.81 4.23 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 1.38 0.00 0.00 14 L 7.94 3.90 0.00 1.66 1.78 0.92 0.95 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 15 L 7.76 4.02 0.00 1.61 1.82 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.14 3.27 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 17 C 8.41 4.58 0.00 2.94 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 18 S 9.35 4.88 0.00 3.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.74 4.76 0.00 3.01 3.04 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 20 K 9.43 4.52 0.00 1.80 1.78 0.00 1.60 0.00 0.00 1.39 0.00 0.00 2.31 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.32 1.32 7.81 21 N 9.67 4.27 0.00 2.90 2.97 0.00 0.00 7.38 6.73 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 22 K 8.37 3.98 0.00 2.03 1.95 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.35 7.81 23 V 7.86 4.64 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 1.06 0.00 0.00 24 C 8.54 5.23 0.00 2.82 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 25 Y 9.13 5.22 0.00 2.86 2.92 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 26 R 9.43 5.45 0.00 1.84 2.04 0.00 3.21 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.42 0.00 27 N 9.85 4.25 0.00 2.86 2.92 0.00 0.00 7.20 7.99 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 28 G 9.32 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.13 4.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.90 0.00 0.00 30 I 8.35 4.38 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.30 0.95 0.00 0.00 31 P 0.00 4.16 0.00 2.18 2.18 0.00 3.84 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00