#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 1.21 0.00 0.00 0.00 0.00 -1.26 -4.78 117.38 112.55 1lup n GLN 3 Ca -0.27 0.37 0.00 0.00 -0.00 0.00 0.00 57.00 57.10 1lup n GLN 3 Cb 0.42 -1.12 0.00 0.00 0.00 0.00 0.00 30.24 29.54 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 -1.16 0.00 -1.43 3.69 4.76 -1.26 -5.03 118.16 117.73 1lup n LYS 4 Ca 0.00 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.52 1lup n LYS 4 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 1lup n LYS 4 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 1lup n TRP 5 N 0.00 -3.57 -2.28 2.13 -0.00 -1.26 -4.60 117.44 107.86 1lup n TRP 5 Ca 0.00 1.95 0.00 0.00 -0.00 0.00 0.00 57.50 59.45 1lup n TRP 5 Cb 0.00 -3.11 0.00 0.00 -0.00 0.00 0.00 31.31 28.20 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 -3.39 -2.71 -2.32 5.87 2.81 0.33 -4.72 117.12 112.98 1lup n MET 6 Ca -0.04 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.60 1lup n MET 6 Cb 0.51 -4.40 0.09 0.00 -0.71 0.00 0.00 33.22 28.71 1lup n MET 6 CO 0.00 0.00 0.00 1.67 1.51 0.00 0.00 175.97 179.15 1lup s TRP 7 N -1.85 2.47 0.09 2.03 1.48 -1.26 -4.22 118.94 117.68 1lup s TRP 7 Ca 0.00 0.20 -0.31 0.00 -1.06 0.00 0.00 56.10 54.93 1lup s TRP 7 Cb 0.00 -3.19 -0.07 0.00 -1.16 0.00 0.00 33.47 29.05 1lup s TRP 7 CO 0.00 -1.53 1.29 -0.08 -4.06 0.00 0.00 176.95 172.57 1lup s THR 8 N -3.22 3.67 0.40 0.66 -1.32 -1.26 -2.23 115.64 112.33 1lup s THR 8 Ca 0.63 1.21 -0.23 0.00 -1.21 0.00 0.00 61.69 62.08 1lup s THR 8 Cb -0.09 -3.77 -0.10 0.00 -1.51 0.00 0.00 72.50 67.03 1lup s THR 8 CO 0.45 0.10 0.97 0.00 -2.21 0.00 0.00 174.62 173.92 1lup n ASP 10 N -0.21 -0.20 -0.27 0.00 5.75 -1.26 -4.95 116.55 115.42 1lup n ASP 10 Ca 0.05 -1.21 0.26 0.00 -0.01 0.00 0.00 54.79 53.89 1lup n ASP 10 Cb 0.52 0.35 0.61 0.00 -1.03 0.00 0.00 41.12 41.57 1lup n ASP 10 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1lup h GLU 11 N 0.00 0.21 -2.59 0.11 4.11 -2.06 -3.31 114.58 111.06 1lup h GLU 11 Ca -0.03 -0.01 -0.47 0.00 0.07 0.00 0.00 59.36 58.91 1lup h GLU 11 Cb 0.14 -0.05 -0.38 0.00 0.50 0.00 0.00 28.75 28.96 1lup h GLU 11 CO 0.05 0.14 -0.74 -1.21 0.07 0.00 0.00 179.01 177.31 1lup s GLU 12 N -5.23 0.25 -0.40 1.06 2.02 -1.26 -5.11 118.70 110.02 1lup s GLU 12 Ca -0.07 -0.46 -0.29 0.00 0.02 0.00 0.00 54.97 54.17 1lup s GLU 12 Cb 0.23 -1.02 0.02 0.00 0.10 0.00 0.00 34.13 33.46 1lup s GLU 12 CO 0.79 -1.03 1.26 0.50 0.02 0.00 0.00 175.26 176.79 1lup s ARG 13 N 2.11 3.75 0.61 1.61 3.52 -1.25 -4.88 118.95 124.43 1lup s ARG 13 Ca 0.10 0.88 0.32 0.00 -0.13 0.00 0.00 55.73 56.90 1lup s ARG 13 Cb -0.16 -3.92 1.84 0.00 -1.56 0.00 0.00 34.95 31.15 1lup s ARG 13 CO -0.34 -1.34 2.17 0.87 -0.81 0.00 0.00 175.30 175.85 1lup h LYS 14 N 9.62 0.00 -4.18 5.12 6.56 -1.96 -3.45 116.57 128.28 1lup h LYS 14 Ca -0.25 0.00 -0.41 0.00 -1.06 0.00 0.00 60.65 58.93 1lup h LYS 14 Cb 1.08 0.00 0.14 0.00 -0.57 0.00 0.00 32.23 32.88 1lup h LYS 14 CO 1.09 0.00 -0.92 0.00 -2.06 0.00 0.00 179.45 177.55 1lup n GLU 17 N -4.93 1.00 -0.94 0.00 2.13 -1.26 -3.61 120.64 113.03 1lup n GLU 17 Ca 0.15 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.87 1lup n GLU 17 Cb 0.58 -1.23 0.21 0.00 0.27 0.00 0.00 31.44 31.27 1lup n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1lup n GLY 18 N 0.73 4.52 3.37 8.31 0.00 -1.26 -4.99 105.19 115.87 1lup n GLY 18 Ca 0.11 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.19 0.87 0.34 0.99 1.43 -1.24 -4.78 118.68 113.10 1lup s LEU 19 Ca 0.50 -0.98 0.09 0.00 -1.03 0.00 0.00 54.13 52.70 1lup s LEU 19 Cb 0.43 1.16 -0.05 0.00 0.03 0.00 0.00 46.19 47.76 1lup s LEU 19 CO 0.06 -0.94 0.06 -0.69 0.23 0.00 0.00 176.35 175.08 1lup s VAL 20 N -4.01 2.76 -0.37 -1.59 1.01 -1.17 -4.98 120.40 112.04 1lup s VAL 20 Ca 0.22 -1.86 -0.08 0.00 0.00 0.00 0.00 61.98 60.26 1lup s VAL 20 Cb 0.03 -2.87 0.05 0.00 0.00 0.00 0.00 36.38 33.59 1lup s VAL 20 CO 0.04 -0.19 0.17 0.00 0.00 0.00 0.00 175.10 175.13 1lup s ARG 22 N 1.45 0.29 0.00 0.00 0.52 -1.26 -4.99 118.95 114.95 1lup s ARG 22 Ca 0.01 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 1lup s ARG 22 Cb -0.20 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.38 1lup s ARG 22 CO 0.04 -0.52 0.00 1.28 0.02 0.00 0.00 175.30 176.12 1lup n LEU 23 N 5.05 0.00 -3.76 2.53 7.99 -1.26 -4.58 117.00 122.97 1lup n LEU 23 Ca 0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.95 1lup n LEU 23 Cb 0.57 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.78 1lup n LEU 23 CO -0.12 0.00 0.01 -1.66 -1.51 0.00 0.00 177.39 174.10 1lup s TRP 24 N 0.00 -0.34 -0.24 -1.77 -2.14 -1.26 -3.42 118.94 109.78 1lup s TRP 24 Ca 0.00 0.81 -0.36 0.00 2.66 0.00 0.00 56.10 59.21 1lup s TRP 24 Cb 0.00 0.12 -0.12 0.00 -3.10 0.00 0.00 33.47 30.37 1lup s TRP 24 CO 0.00 -0.21 1.98 0.00 -2.66 0.00 0.00 176.95 176.06 1lup s LYS 26 N 4.83 1.95 0.47 0.00 1.02 -1.25 0.12 119.74 126.89 1lup s LYS 26 Ca 1.01 -1.04 0.03 0.00 0.02 0.00 0.00 55.97 55.98 1lup s LYS 26 Cb -0.83 -2.11 0.03 0.00 -0.52 0.00 0.00 37.83 34.39 1lup s LYS 26 CO 0.54 0.53 0.23 2.89 -0.92 0.00 0.00 175.35 178.62 1lup n ARG 27 N 1.55 0.82 -4.40 1.68 -4.01 -1.26 -3.07 116.66 107.98 1lup n ARG 27 Ca -0.16 -3.12 -0.34 0.00 -1.04 0.00 0.00 57.85 53.19 1lup n ARG 27 Cb 0.52 0.52 -0.10 0.00 -3.04 0.00 0.00 32.46 30.37 1lup n ARG 27 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1lup s ILE 28 N -2.48 4.06 0.23 8.89 1.09 -1.26 -5.08 121.20 126.65 1lup s ILE 28 Ca 0.18 -0.48 0.06 0.00 -1.10 0.00 0.00 60.65 59.31 1lup s ILE 28 Cb -0.01 -2.74 -0.03 0.00 -1.06 0.00 0.00 42.46 38.61 1lup s ILE 28 CO 0.11 0.50 0.24 -0.63 -0.10 0.00 0.00 174.94 175.05 1lup s ILE 29 N -0.96 4.70 -0.03 2.92 -1.09 -1.26 -5.05 121.20 120.44 1lup s ILE 29 Ca 0.16 -1.23 -0.25 0.00 -2.23 0.00 0.00 60.65 57.10 1lup s ILE 29 Cb -0.11 -3.52 -0.20 0.00 -1.58 0.00 0.00 42.46 37.04 1lup s ILE 29 CO 0.06 -0.31 1.17 0.78 -1.23 0.00 0.00 174.94 175.41 1lup h ASN 30 N 1.54 0.15 0.00 3.58 2.35 -2.10 -3.58 115.58 117.52 1lup h ASN 30 Ca -0.49 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 54.64 1lup h ASN 30 Cb 1.23 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1lup h ASN 30 CO 0.61 0.74 0.00 0.80 -1.65 0.00 0.00 177.43 177.93