#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 1.20 0.28 -3.01 0.00 3.00 -1.26 -4.84 117.38 112.75 1lup n GLN 3 Ca 0.00 -0.96 -0.44 0.00 -0.01 0.00 0.00 57.00 55.60 1lup n GLN 3 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 30.24 29.98 1lup n GLN 3 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1lup n LYS 4 N -1.70 3.92 -1.12 -1.09 4.01 -1.26 -4.64 118.16 116.28 1lup n LYS 4 Ca 0.06 -4.29 0.13 0.00 -0.51 0.00 0.00 58.31 53.70 1lup n LYS 4 Cb 0.21 -2.65 -0.04 0.00 -0.51 0.00 0.00 35.03 32.04 1lup n LYS 4 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 1lup n TRP 5 N 2.65 -2.60 -3.02 2.13 5.03 -1.26 -4.65 117.44 115.72 1lup n TRP 5 Ca 0.29 1.34 -0.21 0.00 3.03 0.00 0.00 57.50 61.95 1lup n TRP 5 Cb 0.37 -2.36 -0.04 0.00 -1.03 0.00 0.00 31.31 28.25 1lup n TRP 5 CO 0.00 0.00 0.00 -1.33 -0.03 0.00 0.00 177.69 176.33 1lup n MET 6 N -3.46 -1.02 -3.36 -0.99 2.81 0.40 -4.72 117.12 106.79 1lup n MET 6 Ca -0.02 0.07 -0.37 0.00 -1.81 0.00 0.00 57.70 55.57 1lup n MET 6 Cb 0.63 -2.69 -0.06 0.00 -0.71 0.00 0.00 33.22 30.38 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 -2.13 3.70 -0.47 2.03 -0.11 -1.26 -4.33 118.94 116.36 1lup s TRP 7 Ca 0.41 1.12 -0.47 0.00 1.22 0.00 0.00 56.10 58.39 1lup s TRP 7 Cb -0.24 -2.40 -0.20 0.00 -1.50 0.00 0.00 33.47 29.13 1lup s TRP 7 CO 0.51 0.53 1.58 2.41 -4.62 0.00 0.00 176.95 177.35 1lup n THR 8 N 1.30 0.01 -3.96 5.86 -1.04 -1.26 -3.00 114.28 112.19 1lup n THR 8 Ca -0.09 -0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.65 1lup n THR 8 Cb 0.51 -0.50 -0.04 0.00 -1.82 0.00 0.00 70.33 68.49 1lup n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lup n ASP 10 N -0.33 0.00 -0.07 0.00 -0.08 -1.26 -4.72 116.55 110.09 1lup n ASP 10 Ca -0.07 0.00 0.25 0.00 -1.51 0.00 0.00 54.79 53.47 1lup n ASP 10 Cb 0.53 0.00 0.70 0.00 2.34 0.00 0.00 41.12 44.70 1lup n ASP 10 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1lup h GLU 11 N 0.00 0.00 -0.93 -0.67 5.08 -2.02 -3.37 114.58 112.67 1lup h GLU 11 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1lup h GLU 11 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 1lup h GLU 11 CO 0.00 0.00 -0.12 -1.83 -1.00 0.00 0.00 179.01 176.06 1lup s GLU 12 N -4.72 0.46 0.01 2.33 -1.05 -1.26 -5.16 118.70 109.31 1lup s GLU 12 Ca -0.04 0.86 0.05 0.00 -0.15 0.00 0.00 54.97 55.69 1lup s GLU 12 Cb 0.18 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 34.32 1lup s GLU 12 CO 0.62 -0.44 -0.12 -0.98 0.95 0.00 0.00 175.26 175.29 1lup s ARG 13 N 2.86 2.36 0.53 -4.83 1.04 -1.26 -5.01 118.95 114.64 1lup s ARG 13 Ca 0.11 -0.82 0.22 0.00 -1.04 0.00 0.00 55.73 54.20 1lup s ARG 13 Cb -0.13 -2.37 1.43 0.00 -2.04 0.00 0.00 34.95 31.85 1lup s ARG 13 CO -0.18 0.58 2.14 0.87 -0.04 0.00 0.00 175.30 178.67 1lup h LYS 14 N 4.60 0.00 -4.11 3.89 6.56 -1.98 -3.45 116.57 122.08 1lup h LYS 14 Ca -0.48 0.00 -0.41 0.00 -1.06 0.00 0.00 60.65 58.70 1lup h LYS 14 Cb 1.16 0.00 0.13 0.00 -0.57 0.00 0.00 32.23 32.95 1lup h LYS 14 CO 0.51 0.06 -0.82 0.00 -2.06 0.00 0.00 179.45 177.14 1lup n GLU 17 N -4.53 0.69 -0.93 0.00 1.02 -1.26 -3.49 120.64 112.14 1lup n GLU 17 Ca 0.04 0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 1lup n GLU 17 Cb 0.55 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.64 1lup n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lup n GLY 18 N 0.89 3.77 2.94 0.62 0.00 -1.26 -4.87 105.19 107.28 1lup n GLY 18 Ca 0.18 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1lup n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lup s LEU 19 N -2.53 1.31 0.21 0.99 1.43 -1.23 -4.22 118.68 114.64 1lup s LEU 19 Ca 0.45 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.47 1lup s LEU 19 Cb 0.37 0.32 -0.08 0.00 0.03 0.00 0.00 46.19 46.83 1lup s LEU 19 CO 0.09 -0.08 1.03 -0.69 0.23 0.00 0.00 176.35 176.94 1lup s VAL 20 N 0.46 3.94 -0.53 -1.59 1.01 -1.24 -4.89 120.40 117.57 1lup s VAL 20 Ca -0.03 1.80 -0.24 0.00 0.00 0.00 0.00 61.98 63.50 1lup s VAL 20 Cb -0.05 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.22 1lup s VAL 20 CO -0.02 0.36 0.93 0.00 0.00 0.00 0.00 175.10 176.37 1lup s ARG 22 N 3.87 0.29 0.00 0.00 0.52 -1.26 -4.99 118.95 117.37 1lup s ARG 22 Ca 0.32 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1lup s ARG 22 Cb -0.12 0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.47 1lup s ARG 22 CO 0.21 -0.52 0.00 -0.11 0.02 0.00 0.00 175.30 174.89 1lup n LEU 23 N 5.10 0.00 -3.72 2.53 -0.00 -1.26 -4.63 117.00 115.02 1lup n LEU 23 Ca 0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.95 1lup n LEU 23 Cb 0.57 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.90 1lup n LEU 23 CO -0.13 0.00 0.09 -1.66 -0.00 0.00 0.00 177.39 175.69 1lup s TRP 24 N 0.00 -0.33 -0.07 1.96 -2.14 -1.26 -2.97 118.94 114.13 1lup s TRP 24 Ca 0.00 0.65 -0.31 0.00 2.66 0.00 0.00 56.10 59.10 1lup s TRP 24 Cb 0.00 0.15 -0.09 0.00 -3.10 0.00 0.00 33.47 30.43 1lup s TRP 24 CO 0.00 -0.35 2.02 0.00 -2.66 0.00 0.00 176.95 175.95 1lup s LYS 26 N 4.87 2.27 0.19 0.00 1.02 -1.25 0.15 119.74 127.00 1lup s LYS 26 Ca 0.94 -0.89 -0.32 0.00 0.02 0.00 0.00 55.97 55.72 1lup s LYS 26 Cb -0.50 -2.33 -0.12 0.00 -0.52 0.00 0.00 37.83 34.36 1lup s LYS 26 CO 0.43 0.56 1.70 0.54 -0.92 0.00 0.00 175.35 177.66 1lup n ARG 27 N 1.40 2.64 -1.09 1.68 3.00 -1.26 -3.62 116.66 119.42 1lup n ARG 27 Ca -0.15 0.95 -0.36 0.00 -0.01 0.00 0.00 57.85 58.28 1lup n ARG 27 Cb 0.52 -2.79 0.06 0.00 0.00 0.00 0.00 32.46 30.25 1lup n ARG 27 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1lup n ILE 28 N 3.91 0.49 -1.54 0.55 2.08 -1.26 -4.83 119.36 118.76 1lup n ILE 28 Ca 0.16 -0.42 -0.40 0.00 0.56 0.00 0.00 62.75 62.66 1lup n ILE 28 Cb 0.34 -0.31 0.03 0.00 -0.75 0.00 0.00 39.64 38.94 1lup n ILE 28 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1lup n ILE 29 N -2.46 2.52 -2.29 1.39 -6.64 -1.26 -4.91 119.36 105.71 1lup n ILE 29 Ca 0.05 -0.50 -0.01 0.00 -1.77 0.00 0.00 62.75 60.52 1lup n ILE 29 Cb 0.52 -0.89 0.02 0.00 -1.44 0.00 0.00 39.64 37.85 1lup n ILE 29 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 1lup n ASN 30 N 0.38 -0.27 0.00 7.28 6.94 -1.26 -5.27 115.26 123.06 1lup n ASN 30 Ca 0.11 -1.03 0.13 0.00 -0.02 0.00 0.00 54.58 53.78 1lup n ASN 30 Cb 0.44 0.12 0.80 0.00 -2.36 0.00 0.00 39.78 38.77 1lup n ASN 30 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46