NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4706 8.3344 115.4101 58.4435 64.3726 171.9235 3 S 4.3738 8.6361 117.1718 57.3870 68.1507 170.3775 4 E 4.3840 8.0955 117.4290 55.1833 32.2040 175.8069 5 K 3.0791 7.3207 116.3633 57.0722 31.4445 176.3136 6 E 4.2217 7.3211 117.7448 57.5558 29.8792 177.4156 7 Y 4.2917 6.8972 117.6065 59.2101 37.6936 178.3123 8 V 3.7175 6.8961 120.2009 65.8364 31.9360 176.9554 9 E 4.4585 7.9931 115.0644 57.3773 28.7769 177.3549 10 M 4.0766 7.8691 119.5978 58.3138 32.1525 177.5192 11 L 4.0900 8.0176 119.7028 57.3097 42.2670 178.3390 12 D 4.5337 7.6165 117.5750 56.9170 42.2147 176.6106 13 R 4.8865 7.5490 120.2334 54.0526 26.7529 174.0400 14 L 4.3686 7.1308 123.8899 56.2270 48.9597 175.4805 15 Y 4.4372 7.2831 114.8163 59.4392 38.5066 176.5989 16 S 4.4555 8.1428 113.8072 59.4794 63.6679 175.5114 17 K 4.4224 7.3831 118.7253 55.9540 32.2779 175.9436 18 L 4.2598 7.6114 120.6234 52.9067 43.0858 173.6070 19 P 4.2286 0.0000 0.0000 63.3906 31.0397 174.8114 20 E 4.3319 8.4132 119.6765 57.5255 31.7364 177.9509 21 K 4.0163 7.9384 115.8877 54.8325 31.2227 176.4226 22 G 3.7085 8.4312 107.0351 46.6726 0.0000 172.4492 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 2 S 8.33 4.47 0.00 4.17 3.93 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 3 S 8.64 4.37 0.00 3.88 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 4 E 8.10 4.38 0.00 2.39 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 0.00 2.30 2.26 0.00 5 K 7.32 3.08 0.00 1.87 1.73 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.35 7.81 6 E 7.32 4.22 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 7 Y 6.90 4.29 0.00 3.20 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 8 V 6.90 3.72 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.96 0.00 0.00 9 E 7.99 4.46 0.00 2.20 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 2.28 2.27 0.00 10 M 7.87 4.08 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 11 L 8.02 4.09 0.00 2.01 1.89 1.01 1.06 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 12 D 7.62 4.53 0.00 2.94 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 13 R 7.55 4.89 0.00 1.87 1.86 0.00 3.19 0.00 0.00 3.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 14 L 7.13 4.37 0.00 1.51 1.29 0.79 0.43 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 Y 7.28 4.44 0.00 3.07 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 16 S 8.14 4.46 0.00 4.04 4.16 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 17 K 7.38 4.42 0.00 1.74 1.80 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.32 7.81 18 L 7.61 4.26 0.00 1.77 1.63 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.23 0.00 2.09 2.06 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 20 E 8.41 4.33 0.00 1.91 1.94 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 2.21 2.58 0.00 21 K 7.94 4.02 0.00 1.93 1.89 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.43 7.81 22 G 8.43 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00