NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4423 8.1127 120.8597 56.6495 32.3859 177.2857 2 M 3.8181 8.0817 117.0060 57.7488 32.3887 176.5021 3 K 3.6255 8.8587 120.0208 58.9787 32.7615 177.9562 4 Q 4.0652 7.7944 118.0475 58.8191 28.9521 177.9497 5 L 4.0476 7.9181 120.0373 57.5800 41.6788 179.3875 6 E 3.9494 8.9735 119.6791 59.6893 29.4012 179.2522 7 D 4.4219 8.0247 118.3952 56.9326 40.7193 178.8532 8 K 3.9231 7.9177 120.1384 59.2565 32.3321 179.0713 9 V 3.5435 7.5940 118.1576 66.1294 31.6534 177.8764 10 E 3.9805 7.9967 117.8344 59.4330 28.8481 179.0365 11 E 4.0538 8.4368 119.6363 59.1725 29.6929 178.8347 12 L 4.0207 8.1610 119.0463 57.1839 41.5668 179.1808 13 L 3.7147 7.7338 120.4372 58.0000 42.0867 179.0263 14 S 4.2881 7.6530 114.0522 61.4391 62.7439 176.9408 15 K 3.9408 7.7326 120.6303 59.3830 31.8150 178.9304 16 Q 3.9111 7.8418 119.8340 59.5531 28.8413 178.2131 17 Y 4.4262 7.9845 117.7803 61.4840 37.9606 177.9498 18 H 4.0948 8.2181 118.8233 59.5041 29.9058 176.9697 19 L 4.0660 8.1055 120.4035 58.1600 41.3717 179.5538 20 E 4.0855 8.5238 118.3509 59.1001 29.2570 179.1652 21 N 4.3008 8.3682 116.8861 56.2034 38.5645 176.7021 22 E 3.8618 8.0518 120.6142 59.6075 29.8368 179.1268 23 V 3.1386 7.7978 117.5827 65.6992 31.3987 177.9765 24 A 3.9404 7.6898 120.6602 54.9787 18.3965 179.2352 25 R 3.8001 8.0281 117.4447 59.9247 29.9184 178.6786 26 L 4.0504 8.4576 117.8708 57.5971 41.6837 179.5830 27 K 4.0907 7.9254 118.3315 59.3277 31.8545 179.1143 28 K 3.9483 7.7809 117.7054 59.9359 32.1949 178.5945 29 L 3.9148 7.3634 118.2742 57.7156 41.9147 177.0159 30 V 3.8737 8.4890 123.4821 62.8734 31.4641 175.1733 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 R 8.11 4.44 0.00 1.82 1.99 0.00 3.31 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 2 M 8.08 3.82 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.71 0.00 3 K 8.86 3.63 0.00 1.90 1.79 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.59 7.81 4 Q 7.79 4.07 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 5 L 7.92 4.05 0.00 1.84 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.97 3.95 0.00 2.02 2.14 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 0.00 2.33 2.35 0.00 7 D 8.02 4.42 0.00 2.78 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 8 K 7.92 3.92 0.00 2.01 1.93 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 9 V 7.59 3.54 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 0.96 0.00 0.00 0.96 0.00 0.00 10 E 8.00 3.98 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 2.34 2.43 0.00 11 E 8.44 4.05 0.00 2.01 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 2.29 2.34 0.00 12 L 8.16 4.02 0.00 1.86 1.65 0.93 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.73 3.71 0.00 1.69 1.57 0.72 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.65 4.29 0.00 4.15 3.94 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 15 K 7.73 3.94 0.00 1.77 1.82 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 16 Q 7.84 3.91 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 17 Y 7.98 4.43 0.00 3.04 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 18 H 8.22 4.09 0.00 3.28 3.52 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.11 4.07 0.00 1.98 1.74 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.52 4.09 0.00 2.13 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 0.00 2.37 2.39 0.00 21 N 8.37 4.30 0.00 2.86 2.84 0.00 0.00 6.53 7.18 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 22 E 8.05 3.86 0.00 2.10 2.16 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 2.32 2.33 0.00 23 V 7.80 3.14 2.22 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 0.96 0.00 0.00 0.99 0.00 0.00 24 A 7.69 3.94 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.03 3.80 0.00 1.87 2.16 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 L 8.46 4.05 0.00 1.60 1.72 0.93 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.93 4.09 0.00 1.97 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.75 7.81 28 K 7.78 3.95 0.00 1.88 1.91 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.49 7.81 29 L 7.36 3.91 0.00 1.77 1.81 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.49 3.87 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 0.79 0.00 0.00 0.98 0.00 0.00