#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lup n GLN 3 N 1.42 0.00 0.00 0.00 0.00 -1.26 -4.77 117.38 112.77 1lup n GLN 3 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.00 57.03 1lup n GLN 3 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 30.24 29.29 1lup n GLN 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1lup n LYS 4 N -0.47 0.00 -1.30 3.69 3.00 -1.26 -5.03 118.16 116.79 1lup n LYS 4 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.46 1lup n LYS 4 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 1lup n LYS 4 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1lup n TRP 5 N 0.00 -3.24 -2.24 5.64 8.01 -1.26 -4.60 117.44 119.76 1lup n TRP 5 Ca 0.00 1.78 -0.01 0.00 -1.31 0.00 0.00 57.50 57.96 1lup n TRP 5 Cb 0.00 -2.95 -0.00 0.00 -2.01 0.00 0.00 31.31 26.35 1lup n TRP 5 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35 1lup n MET 6 N -4.11 -2.67 -3.07 -0.99 2.81 -1.09 -4.78 117.12 103.22 1lup n MET 6 Ca -0.07 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.42 1lup n MET 6 Cb 0.59 -3.84 -0.05 0.00 -0.71 0.00 0.00 33.22 29.21 1lup n MET 6 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1lup s TRP 7 N -1.73 3.40 0.25 2.03 -0.11 -1.26 -4.42 118.94 117.11 1lup s TRP 7 Ca 0.01 1.01 -0.28 0.00 1.22 0.00 0.00 56.10 58.05 1lup s TRP 7 Cb -0.01 -2.84 -0.15 0.00 -1.50 0.00 0.00 33.47 28.98 1lup s TRP 7 CO 0.02 -0.17 0.89 -2.37 -4.62 0.00 0.00 176.95 170.70 1lup n THR 8 N 4.63 1.90 -2.02 5.86 5.66 -1.26 -3.03 114.28 126.03 1lup n THR 8 Ca -0.00 -0.48 -0.32 0.00 -3.05 0.00 0.00 64.05 60.21 1lup n THR 8 Cb 0.50 -0.71 0.00 0.00 -1.55 0.00 0.00 70.33 68.57 1lup n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1lup n ASP 10 N -2.32 0.00 -0.11 0.00 5.75 -1.26 -4.99 116.55 113.62 1lup n ASP 10 Ca 0.07 -0.23 0.27 0.00 -0.01 0.00 0.00 54.79 54.89 1lup n ASP 10 Cb 0.54 0.00 0.71 0.00 -1.03 0.00 0.00 41.12 41.34 1lup n ASP 10 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1lup h GLU 11 N 0.00 0.00 -1.39 0.11 5.08 -2.06 -3.32 114.58 112.99 1lup h GLU 11 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1lup h GLU 11 Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 1lup h GLU 11 CO 0.00 0.00 -0.47 -1.21 -1.00 0.00 0.00 179.01 176.33 1lup s GLU 12 N -4.77 0.49 -0.60 2.33 2.02 -1.26 -5.10 118.70 111.80 1lup s GLU 12 Ca -0.04 0.29 -0.26 0.00 0.02 0.00 0.00 54.97 54.97 1lup s GLU 12 Cb 0.19 -0.06 -0.03 0.00 0.10 0.00 0.00 34.13 34.32 1lup s GLU 12 CO 0.66 -1.05 1.94 0.50 0.02 0.00 0.00 175.26 177.34 1lup s ARG 13 N 2.64 2.54 0.53 1.61 3.00 -1.25 -4.81 118.95 123.20 1lup s ARG 13 Ca 0.10 0.69 0.26 0.00 -1.00 0.00 0.00 55.73 55.78 1lup s ARG 13 Cb -0.11 -4.44 1.39 0.00 0.00 0.00 0.00 34.95 31.79 1lup s ARG 13 CO -0.28 -2.84 1.97 0.87 0.00 0.00 0.00 175.30 175.02 1lup h LYS 14 N 15.51 0.03 -4.28 5.12 6.56 -1.96 -3.44 116.57 134.11 1lup h LYS 14 Ca -0.25 -0.00 -0.43 0.00 -1.06 0.00 0.00 60.65 58.92 1lup h LYS 14 Cb 1.17 -0.01 0.13 0.00 -0.57 0.00 0.00 32.23 32.96 1lup h LYS 14 CO 1.21 0.02 -0.85 0.00 -2.06 0.00 0.00 179.45 177.77 1lup h GLU 17 N -0.62 0.00 -0.08 0.00 9.09 -1.95 -1.77 114.58 119.26 1lup h GLU 17 Ca -0.45 0.00 0.02 0.00 0.05 0.00 0.00 59.36 58.98 1lup h GLU 17 Cb 1.24 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1lup h GLU 17 CO 0.52 0.00 0.24 0.78 0.05 0.00 0.00 179.01 180.60 1lup h GLY 18 N 0.00 0.00 -1.88 1.06 0.00 -2.00 -3.42 103.07 96.83 1lup h GLY 18 Ca 0.03 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.73 1lup h GLY 18 CO -0.00 0.00 -0.66 1.08 0.00 0.00 0.00 176.54 176.96 1lup s LEU 19 N -6.37 2.77 0.56 3.11 1.43 -0.67 -4.37 118.68 115.14 1lup s LEU 19 Ca -0.04 -1.23 0.05 0.00 -1.03 0.00 0.00 54.13 51.88 1lup s LEU 19 Cb 0.12 -0.99 0.05 0.00 0.03 0.00 0.00 46.19 45.40 1lup s LEU 19 CO 0.38 -0.25 0.41 0.68 0.23 0.00 0.00 176.35 177.80 1lup s VAL 20 N -2.63 1.51 -0.39 -1.59 -7.23 -1.22 -4.89 120.40 103.97 1lup s VAL 20 Ca 0.33 -1.50 -0.09 0.00 -1.81 0.00 0.00 61.98 58.91 1lup s VAL 20 Cb 0.04 -2.01 0.05 0.00 0.56 0.00 0.00 36.38 35.02 1lup s VAL 20 CO 0.17 0.00 0.21 0.00 -0.31 0.00 0.00 175.10 175.17 1lup s ARG 22 N 1.47 0.29 0.00 0.00 0.52 -1.26 -4.99 118.95 114.97 1lup s ARG 22 Ca 0.02 0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 1lup s ARG 22 Cb -0.21 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.37 1lup s ARG 22 CO 0.04 -0.52 0.00 -0.11 0.02 0.00 0.00 175.30 174.73 1lup n LEU 23 N 4.99 0.00 -3.65 2.53 -0.00 -1.26 -4.58 117.00 115.03 1lup n LEU 23 Ca 0.08 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.94 1lup n LEU 23 Cb 0.57 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.92 1lup n LEU 23 CO -0.12 0.00 0.24 -1.66 -0.00 0.00 0.00 177.39 175.84 1lup s TRP 24 N 0.00 -0.47 -0.44 1.96 -2.14 -1.26 -3.39 118.94 113.19 1lup s TRP 24 Ca 0.00 0.90 -0.44 0.00 2.66 0.00 0.00 56.10 59.22 1lup s TRP 24 Cb 0.00 0.25 -0.18 0.00 -3.10 0.00 0.00 33.47 30.44 1lup s TRP 24 CO 0.00 -0.45 1.82 0.00 -2.66 0.00 0.00 176.95 175.66 1lup s LYS 26 N 4.19 1.75 0.66 0.00 -0.14 -1.25 -2.66 119.74 122.28 1lup s LYS 26 Ca 1.08 -1.16 -0.11 0.00 -1.36 0.00 0.00 55.97 54.42 1lup s LYS 26 Cb -1.35 -2.70 0.17 0.00 -1.68 0.00 0.00 37.83 32.27 1lup s LYS 26 CO 0.72 -0.63 0.39 2.89 -0.76 0.00 0.00 175.35 177.95 1lup n ARG 27 N 4.58 -3.30 -4.52 1.68 0.00 -1.26 -3.39 116.66 110.44 1lup n ARG 27 Ca -0.11 -0.65 -0.22 0.00 -0.00 0.00 0.00 57.85 56.87 1lup n ARG 27 Cb 0.43 -0.85 -0.16 0.00 -0.00 0.00 0.00 32.46 31.88 1lup n ARG 27 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1lup s ILE 28 N -1.49 0.96 0.25 8.89 -5.25 -1.26 -4.91 121.20 118.39 1lup s ILE 28 Ca 0.30 -0.47 0.03 0.00 -0.99 0.00 0.00 60.65 59.52 1lup s ILE 28 Cb -0.05 -0.84 -0.03 0.00 2.95 0.00 0.00 42.46 44.49 1lup s ILE 28 CO 0.25 0.29 0.40 -0.63 -1.79 0.00 0.00 174.94 173.46 1lup s ILE 29 N 0.08 5.23 -0.44 8.37 -1.09 -1.26 -5.08 121.20 127.01 1lup s ILE 29 Ca -0.02 -0.76 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 1lup s ILE 29 Cb -0.09 -3.83 0.19 0.00 -1.58 0.00 0.00 42.46 37.16 1lup s ILE 29 CO 0.01 -0.33 0.82 0.20 -1.23 0.00 0.00 174.94 174.40 1lup s ASN 30 N -3.81 -1.11 0.00 3.58 0.02 -1.26 -5.35 114.94 107.02 1lup s ASN 30 Ca 0.36 -1.09 0.00 0.00 -1.02 0.00 0.00 52.86 51.11 1lup s ASN 30 Cb -0.10 1.44 0.00 0.00 0.02 0.00 0.00 41.25 42.61 1lup s ASN 30 CO 0.31 -0.06 0.20 1.15 0.02 0.00 0.00 177.10 178.71