#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 1.44 0.00 0.00 0.00 1.13 -1.26 -4.44 117.38 114.25 1lup n GLN 3 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1lup n GLN 3 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1lup n GLN 3 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1lup n LYS 4 N -1.27 0.00 -1.58 -1.09 3.00 -1.26 -4.92 118.16 111.03 1lup n LYS 4 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 1lup n LYS 4 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 1lup n LYS 4 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 1lup n TRP 5 N 0.00 -4.21 0.00 5.64 -0.00 -1.26 -4.54 117.44 113.07 1lup n TRP 5 Ca 0.00 2.28 0.00 0.00 -0.00 0.00 0.00 57.50 59.78 1lup n TRP 5 Cb 0.00 -3.54 0.00 0.00 -0.00 0.00 0.00 31.31 27.77 1lup n TRP 5 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 1lup n MET 6 N -2.71 0.00 -1.03 5.87 2.81 -1.13 -4.88 117.12 116.05 1lup n MET 6 Ca -0.00 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.52 1lup n MET 6 Cb 0.49 -0.80 0.03 0.00 -0.71 0.00 0.00 33.22 32.23 1lup n MET 6 CO 0.00 0.00 0.00 1.87 1.51 0.00 0.00 175.97 179.35 1lup n TRP 7 N 0.00 -4.69 -1.38 2.03 -0.00 -1.26 -2.92 117.44 109.21 1lup n TRP 7 Ca 0.00 0.06 -0.46 0.00 -0.00 0.00 0.00 57.50 57.11 1lup n TRP 7 Cb 0.00 -1.46 -0.02 0.00 -0.00 0.00 0.00 31.31 29.83 1lup n TRP 7 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1lup n THR 8 N -2.26 1.60 -4.51 5.87 -1.04 -1.26 -3.01 114.28 109.67 1lup n THR 8 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 1lup n THR 8 Cb 0.53 -0.09 -0.17 0.00 -1.82 0.00 0.00 70.33 68.79 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 4.19 0.35 -0.05 0.00 -0.08 -1.26 -4.36 116.55 115.33 1lup n ASP 10 Ca -0.19 -0.59 0.25 0.00 -1.51 0.00 0.00 54.79 52.75 1lup n ASP 10 Cb 0.51 0.00 0.71 0.00 2.34 0.00 0.00 41.12 44.68 1lup n ASP 10 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1lup h GLU 11 N 0.00 0.00 -0.96 -0.67 9.09 -2.02 -3.35 114.58 116.67 1lup h GLU 11 Ca 0.00 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.45 1lup h GLU 11 Cb 0.00 0.00 -0.21 0.00 -1.65 0.00 0.00 28.75 26.89 1lup h GLU 11 CO 0.00 0.00 -0.36 -1.83 0.05 0.00 0.00 179.01 176.87 1lup s GLU 12 N -4.73 0.54 0.52 1.06 4.04 -1.26 -5.17 118.70 113.70 1lup s GLU 12 Ca -0.04 0.51 0.03 0.00 0.04 0.00 0.00 54.97 55.51 1lup s GLU 12 Cb 0.18 0.24 0.03 0.00 0.02 0.00 0.00 34.13 34.59 1lup s GLU 12 CO 0.63 -1.01 0.25 2.89 -1.84 0.00 0.00 175.26 176.18 1lup n ARG 13 N 5.38 0.74 0.00 -4.83 -4.01 -1.26 -5.12 116.66 107.57 1lup n ARG 13 Ca 0.05 -3.43 0.00 0.00 -1.04 0.00 0.00 57.85 53.44 1lup n ARG 13 Cb 0.54 0.57 0.00 0.00 -3.04 0.00 0.00 32.46 30.54 1lup n ARG 13 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1lup n LYS 14 N -1.56 0.00 -2.02 2.89 4.01 -1.26 -4.93 118.16 115.29 1lup n LYS 14 Ca -0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 1lup n LYS 14 Cb 0.61 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.13 1lup n LYS 14 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1lup h GLU 17 N -0.92 0.00 -1.85 0.00 4.57 -2.00 -2.47 114.58 111.91 1lup h GLU 17 Ca -0.44 0.00 -0.47 0.00 -1.18 0.00 0.00 59.36 57.27 1lup h GLU 17 Cb 1.32 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.73 1lup h GLU 17 CO 0.38 0.00 0.42 0.41 -1.18 0.00 0.00 179.01 179.04 1lup n GLY 18 N -1.35 4.35 3.47 1.92 0.00 -1.26 -4.85 105.19 107.48 1lup n GLY 18 Ca 0.02 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.17 -0.32 0.76 0.99 1.43 -0.93 -4.92 118.68 113.51 1lup s LEU 19 Ca 0.52 1.18 -0.10 0.00 -1.03 0.00 0.00 54.13 54.71 1lup s LEU 19 Cb 0.36 1.94 0.07 0.00 0.03 0.00 0.00 46.19 48.59 1lup s LEU 19 CO -0.17 -0.21 1.10 0.68 0.23 0.00 0.00 176.35 177.99 1lup s VAL 20 N 0.75 2.13 -0.09 -1.59 -7.23 -1.25 -4.92 120.40 108.21 1lup s VAL 20 Ca -0.04 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 1lup s VAL 20 Cb -0.05 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.91 1lup s VAL 20 CO -0.06 -0.00 -0.07 0.00 -0.31 0.00 0.00 175.10 174.66 1lup s ARG 22 N 1.48 0.28 0.00 0.00 0.52 -1.26 -4.99 118.95 114.98 1lup s ARG 22 Ca -0.00 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 1lup s ARG 22 Cb -0.13 0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.45 1lup s ARG 22 CO -0.05 -0.51 0.00 1.28 0.02 0.00 0.00 175.30 176.04 1lup n LEU 23 N 5.11 0.00 -3.70 2.53 4.77 -1.26 -4.49 117.00 119.95 1lup n LEU 23 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 1lup n LEU 23 Cb 0.57 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.53 1lup n LEU 23 CO -0.13 0.00 -0.11 -1.66 -1.33 0.00 0.00 177.39 174.16 1lup s TRP 24 N 0.00 -0.38 0.35 -1.77 -2.14 -1.26 -1.62 118.94 112.12 1lup s TRP 24 Ca 0.00 0.89 -0.23 0.00 2.66 0.00 0.00 56.10 59.42 1lup s TRP 24 Cb 0.00 0.03 -0.16 0.00 -3.10 0.00 0.00 33.47 30.24 1lup s TRP 24 CO 0.00 -0.28 0.22 0.00 -2.66 0.00 0.00 176.95 174.22 1lup s LYS 26 N -1.02 0.79 0.41 0.00 2.20 -1.25 -2.84 119.74 118.03 1lup s LYS 26 Ca 0.61 -0.59 -0.07 0.00 -0.36 0.00 0.00 55.97 55.56 1lup s LYS 26 Cb -0.71 -0.74 0.10 0.00 -1.51 0.00 0.00 37.83 34.96 1lup s LYS 26 CO 0.61 0.19 0.51 2.89 -0.36 0.00 0.00 175.35 179.19 1lup n ARG 27 N 2.19 -0.82 -3.86 4.03 0.00 -1.26 -3.84 116.66 113.11 1lup n ARG 27 Ca -0.17 -0.80 -0.19 0.00 -0.00 0.00 0.00 57.85 56.69 1lup n ARG 27 Cb 0.56 -0.57 -0.17 0.00 -0.00 0.00 0.00 32.46 32.28 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 -2.08 0.18 -0.21 8.89 -5.25 -1.26 -4.95 121.20 116.52 1lup s ILE 28 Ca 0.30 0.15 -0.06 0.00 -0.99 0.00 0.00 60.65 60.05 1lup s ILE 28 Cb -0.01 -0.32 -0.03 0.00 2.95 0.00 0.00 42.46 45.05 1lup s ILE 28 CO 0.21 0.18 0.02 -0.63 -1.79 0.00 0.00 174.94 172.93 1lup s ILE 29 N 1.42 4.10 0.07 8.37 -1.09 -1.26 -4.89 121.20 127.93 1lup s ILE 29 Ca -0.04 -0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 1lup s ILE 29 Cb -0.13 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 1lup s ILE 29 CO -0.03 0.41 0.00 -3.20 -1.23 0.00 0.00 174.94 170.89 1lup n ASN 30 N 4.34 -9.16 0.00 3.58 2.85 -1.26 -5.36 115.26 110.25 1lup n ASN 30 Ca -0.17 1.66 0.00 0.00 -0.11 0.00 0.00 54.58 55.97 1lup n ASN 30 Cb 0.52 -5.03 0.00 0.00 1.24 0.00 0.00 39.78 36.50 1lup n ASN 30 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38