NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0181 8.2127 109.7441 45.5949 0.0000 174.0504 2 I 3.1682 8.1532 117.8178 63.1269 37.8293 173.8967 3 V 3.5178 7.7522 118.9921 65.6944 31.6483 177.0116 4 E 3.8709 7.9903 117.6177 59.4714 29.6888 178.1792 5 Q 4.1487 8.1569 118.2572 58.4650 29.2880 176.2835 6 C 5.0758 8.1169 115.3317 56.0075 41.8470 174.1913 7 C 4.2529 7.8958 116.9524 60.3955 28.8918 175.0507 8 T 4.2016 7.9462 116.0688 65.3095 68.3794 174.6558 9 S 4.6954 7.4733 113.3915 56.0945 66.3150 172.8172 10 I 4.1288 8.1675 122.0718 61.0438 37.0791 176.9945 11 C 4.7156 8.6493 124.0179 56.4149 40.7498 174.4940 12 S 4.5023 9.2180 119.7004 58.0180 64.7501 175.5865 13 L 4.0357 8.4437 122.1955 58.0817 41.1190 179.1312 14 Y 4.1875 8.0038 118.1227 60.8707 39.1375 177.7028 15 Q 4.0759 8.2719 118.9284 59.0028 28.7983 178.7591 16 L 4.2428 8.0806 119.9573 57.9293 41.7055 179.3353 17 E 3.9667 8.1062 118.1018 58.7274 29.0319 178.5829 18 N 3.9881 7.4228 116.7411 56.2760 38.9002 175.3321 19 Y 4.4131 7.5638 115.3193 57.4178 38.6531 175.6925 20 C 4.3935 6.9497 117.5813 59.4944 28.9829 173.5107 21 N 4.5275 8.5388 117.8678 53.7736 38.1921 175.3635 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 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.17 0.57 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 0.62 0.00 0.00 3 V 7.75 3.52 2.04 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 0.95 0.00 0.00 0.87 0.00 0.00 4 E 7.99 3.87 0.00 2.00 2.13 0.00 0.00 0.00 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 2.38 0.00 5 Q 8.16 4.15 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.47 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 6 C 8.12 5.08 0.00 3.02 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 7 C 7.90 4.25 0.00 3.11 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 7.95 4.20 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 1.21 0.00 0.00 9 S 7.47 4.70 0.00 3.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 4.13 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 8.65 4.72 0.00 2.99 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 9.22 4.50 0.00 4.09 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 8.44 4.04 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 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.00 4.19 0.00 2.96 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 15 Q 8.27 4.08 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 16 L 8.08 4.24 0.00 1.94 1.78 0.94 0.81 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 8.11 3.97 0.00 1.95 1.80 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 2.29 2.42 0.00 18 N 7.42 3.99 0.00 2.36 2.13 0.00 0.00 7.15 7.55 0.00 0.00 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 7.56 4.41 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 6.95 4.39 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.54 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