NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3353 8.1133 119.0729 55.8703 31.0067 177.1635 2 M 3.8836 9.0592 119.0354 57.3539 31.5074 175.4755 3 K 3.9971 8.0601 120.7836 59.7846 32.8591 178.6344 4 Q 4.0523 8.0026 119.0458 58.6022 28.9600 177.8849 5 L 3.9547 7.4148 120.8081 58.1095 41.7401 178.4424 6 E 4.0018 8.1875 118.0138 59.3695 29.0648 178.0932 7 D 4.3849 7.3087 123.9288 57.1360 41.8575 178.3663 8 K 4.1550 8.0937 119.3551 60.0526 32.0056 178.4110 9 I 3.6587 8.1935 120.2212 65.0546 36.9194 177.9332 10 E 4.0523 8.7668 119.7833 59.3837 29.6358 179.1093 11 E 3.9704 8.3858 118.9422 59.3385 29.3731 179.1627 12 N 4.3395 8.4204 116.8379 56.6763 38.6628 177.5310 13 T 3.8664 8.3443 117.5668 66.6816 68.4934 176.6224 14 S 4.0814 8.3767 115.1707 61.3526 62.4546 176.2758 15 K 4.0492 8.0870 121.2192 59.5707 31.7282 179.3382 16 I 3.7082 8.1124 120.2868 64.4290 37.1649 177.6845 17 Y 4.0311 8.1432 120.2830 61.2692 38.6644 178.0945 18 H 4.1504 8.2520 116.9531 58.7844 28.7492 177.5499 19 N 4.3248 8.3720 118.3956 56.6908 38.4151 177.4405 20 T 3.8460 8.1949 117.4118 66.8195 68.5041 176.4336 21 N 4.2529 7.8160 117.9364 56.0977 38.5272 177.1829 22 E 3.8978 8.1978 120.8073 59.1991 29.7467 178.7551 23 I 3.6621 8.1739 120.1195 64.4929 37.1921 178.2016 24 A 4.0341 8.0192 121.4136 55.0021 18.1685 179.6302 25 R 3.7974 7.9556 117.2095 59.7568 30.1940 178.5556 26 N 4.3518 8.2009 116.2000 56.5366 38.2771 177.4067 27 T 3.8515 8.1234 116.6301 66.5918 68.6953 176.1749 28 K 4.0839 8.0503 121.3407 59.5929 32.0524 178.9585 29 L 4.0108 7.8187 117.9622 57.4612 41.5830 179.2404 30 V 4.0205 7.8367 110.9865 63.7865 32.1089 177.3300 31 G 3.9408 7.6132 104.9530 44.0392 0.0000 173.5024 32 E 4.2231 8.6001 119.4096 56.5980 29.7476 176.3685 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 4.34 0.00 1.75 1.03 0.00 3.23 0.00 0.00 3.33 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 2 M 9.06 3.88 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 3 K 8.06 4.00 0.00 1.89 1.85 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.06 7.81 4 Q 8.00 4.05 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 5 L 7.41 3.95 0.00 1.91 1.70 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.19 4.00 0.00 2.22 1.81 0.00 0.00 0.00 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 2.51 0.00 7 D 7.31 4.38 0.00 2.76 2.82 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 0.00 0.00 0.00 8 K 8.09 4.16 0.00 2.00 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.66 7.81 9 I 8.19 3.66 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.70 0.91 0.00 0.00 10 E 8.77 4.05 0.00 2.06 2.09 0.00 0.00 0.00 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 2.38 0.00 11 E 8.39 3.97 0.00 2.22 2.00 0.00 0.00 0.00 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 2.56 0.00 12 N 8.42 4.34 0.00 2.91 2.87 0.00 0.00 6.99 7.70 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 13 T 8.34 3.87 4.50 0.00 0.00 0.00 0.00 0.00 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 14 S 8.38 4.08 0.00 3.94 3.89 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 0.00 0.00 0.00 15 K 8.09 4.05 0.00 2.05 1.88 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.65 7.81 16 I 8.11 3.71 2.06 0.00 0.00 0.88 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 0.82 0.93 0.00 0.00 17 Y 8.14 4.03 0.00 3.06 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 18 H 8.25 4.15 0.00 3.28 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.37 4.32 0.00 2.88 2.86 0.00 0.00 7.01 6.59 0.00 0.00 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 T 8.19 3.85 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 1.15 0.00 0.00 21 N 7.82 4.25 0.00 2.70 2.73 0.00 0.00 6.68 6.98 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 22 E 8.20 3.90 0.00 2.15 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 0.00 2.29 2.38 0.00 23 I 8.17 3.66 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.47 0.89 0.00 0.00 24 A 8.02 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.80 0.00 1.89 2.11 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 26 N 8.20 4.35 0.00 2.91 2.84 0.00 0.00 7.08 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.12 3.85 4.40 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 1.20 0.00 0.00 28 K 8.05 4.08 0.00 1.83 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 29 L 7.82 4.01 0.00 1.79 1.71 0.91 0.75 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 7.84 4.02 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 0.71 0.00 0.00 1.03 0.00 0.00 31 G 7.61 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 0.00 0.00 0.00 32 E 8.60 4.22 0.00 1.96 1.86 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 2.27 2.23 0.00