NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9993 8.2127 109.7428 45.5795 0.0000 173.7121 2 I 3.1242 7.9617 118.9751 62.3988 37.7532 173.9483 3 V 3.4733 8.3061 119.9780 66.1104 31.7471 177.2840 4 E 3.9715 8.0287 116.4022 59.3546 28.4606 178.7936 5 Q 4.1410 8.4437 119.7421 58.7242 29.0947 176.5208 6 C 4.7786 8.3233 115.2341 56.1051 41.6448 174.1665 7 C 4.2692 8.1157 117.3988 60.0656 28.8444 174.6740 8 T 4.2889 7.8724 109.1064 62.8473 69.1014 174.6897 9 S 4.6818 7.4417 115.0266 56.0517 66.2907 173.0419 10 I 4.1141 8.1727 122.3184 61.4565 37.3154 176.7246 11 C 4.8416 8.5936 123.2957 55.9229 42.2124 174.3826 12 S 4.4906 8.8896 119.1139 58.0353 64.7351 175.5585 13 L 4.0254 8.4655 122.2399 58.2320 41.1225 179.1947 14 Y 4.2113 7.9995 118.0092 60.7910 38.9678 177.5629 15 Q 4.0683 8.4114 119.0591 59.0299 28.7881 178.8763 16 L 4.2437 8.1464 119.9196 57.8055 41.6330 179.3256 17 E 3.9184 8.1042 118.2851 58.8142 29.0318 178.4300 18 N 3.9118 7.1990 116.8347 56.3152 38.6549 175.2146 19 Y 4.5192 7.6324 115.7546 57.0854 38.4195 175.4304 20 C 4.4082 7.1220 118.2847 59.3760 28.9955 173.5184 21 N 4.5255 8.5631 118.1800 53.7737 38.1391 175.2799 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 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.12 0.60 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.20 0.64 0.00 0.00 3 V 8.31 3.47 2.03 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 0.98 0.00 0.00 0.86 0.00 0.00 4 E 8.03 3.97 0.00 1.98 2.01 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 2.31 2.36 0.00 5 Q 8.44 4.14 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 6 C 8.32 4.78 0.00 3.01 3.06 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 0.00 0.00 0.00 7 C 8.12 4.27 0.00 3.12 2.95 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 0.00 0.00 0.00 0.00 8 T 7.87 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 9 S 7.44 4.68 0.00 4.14 3.95 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 0.00 0.00 0.00 0.00 10 I 8.17 4.11 1.88 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 1.42 0.54 0.92 0.00 0.00 11 C 8.59 4.84 0.00 3.00 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 12 S 8.89 4.49 0.00 4.12 4.06 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 0.00 0.00 0.00 13 L 8.47 4.03 0.00 1.77 1.81 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.00 4.21 0.00 2.95 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 15 Q 8.41 4.07 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 16 L 8.15 4.24 0.00 1.91 1.79 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.10 3.92 0.00 1.93 1.82 0.00 0.00 0.00 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 2.45 0.00 18 N 7.20 3.91 0.00 2.23 1.91 0.00 0.00 7.13 7.49 0.00 0.00 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 Y 7.63 4.52 0.00 3.19 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 20 C 7.12 4.41 0.00 3.02 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 21 N 8.56 4.53 0.00 2.71 2.73 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00