NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8750 8.3549 109.7458 45.7673 0.0000 169.4330 2 I 3.4180 8.9263 134.7274 58.8869 37.3017 171.9830 3 G 3.6984 8.8768 123.7707 45.5235 0.0000 173.1017 4 K 4.3605 7.1377 118.6641 56.4948 34.2266 177.4367 5 Y 3.7875 7.1952 115.6983 59.2233 38.3924 176.6335 6 L 5.0522 8.0253 116.9801 54.6549 42.4089 176.8290 7 H 4.8551 7.8245 111.4901 56.2649 31.5754 172.6522 8 S 4.3019 7.7658 117.9419 58.4093 70.0800 177.1325 9 A 4.1779 8.8901 123.8274 54.8948 18.0934 179.5628 10 K 3.9852 7.6419 115.8618 60.1625 32.2886 178.6520 11 K 3.6868 8.0243 116.9704 60.5318 31.4611 178.8261 12 F 4.6718 7.2767 117.6047 60.7192 37.5178 177.8273 13 G 4.3358 9.6237 106.9450 47.1048 0.0000 175.1941 14 K 4.2768 8.2580 119.0426 57.2254 32.7462 178.6357 15 A 4.0948 7.6651 120.6449 53.9923 19.5611 179.0659 16 W 4.3339 9.3387 116.4203 59.7369 28.1141 178.8568 17 V 2.0000 5.4500 118.3467 63.6267 30.4890 178.5215 18 G 3.7806 6.9283 104.5437 46.6190 0.0000 174.1302 19 E 4.2611 7.8236 121.6594 58.6450 29.9490 178.1596 20 I 3.9402 8.9546 119.5074 64.6800 37.4285 178.3310 21 M 4.1223 8.2480 117.8912 58.2159 31.9686 177.2811 22 N 4.5401 7.5665 115.6759 55.9998 39.2583 174.7538 23 S 4.1877 7.8844 119.9570 58.8222 64.2870 173.5552 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 G 8.35 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.93 3.42 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 1.07 0.00 0.00 3 G 8.88 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.14 4.36 0.00 1.19 1.60 0.00 1.50 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.71 0.97 7.81 5 Y 7.20 3.79 0.00 3.09 3.05 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 6 L 8.03 5.05 0.00 1.29 1.52 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 H 7.82 4.86 0.00 3.20 3.22 0.00 5.74 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.77 4.30 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.89 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 3.99 0.00 1.73 1.86 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.54 7.81 11 K 8.02 3.69 0.00 1.23 1.37 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.28 7.81 12 F 7.28 4.67 0.00 3.32 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.62 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.26 4.28 0.00 1.84 1.79 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.55 7.81 15 A 7.67 4.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.34 4.33 0.00 3.40 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 5.45 2.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.20 0.00 0.00 18 G 6.93 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.82 4.26 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 20 I 8.95 3.94 2.52 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.22 1.10 0.00 0.00 21 M 8.25 4.12 0.00 1.78 1.75 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.70 0.00 22 N 7.57 4.54 0.00 2.88 3.00 0.00 0.00 6.96 7.51 0.00 0.00 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 7.88 4.19 0.00 3.90 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00