#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u57 n GLU 2 N 0.00 2.90 0.00 1.47 4.71 -1.26 -4.78 120.64 123.68 1u57 n GLU 2 Ca 0.00 -2.74 0.00 0.00 -0.01 0.00 0.00 57.16 54.41 1u57 n GLU 2 Cb 0.00 -3.33 0.00 0.00 -1.01 0.00 0.00 31.44 27.10 1u57 n GLU 2 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1u57 n GLU 3 N 6.65 0.66 -0.10 3.49 0.28 -1.26 -1.39 120.64 128.97 1u57 n GLU 3 Ca 0.51 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 57.31 1u57 n GLU 3 Cb 0.41 -1.07 -0.07 0.00 1.43 0.00 0.00 31.44 32.13 1u57 n GLU 3 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1u57 n MET 4 N -0.35 0.43 -0.21 3.44 1.56 -1.26 -3.86 117.12 116.87 1u57 n MET 4 Ca 0.00 0.18 -0.08 0.00 -0.27 0.00 0.00 57.70 57.52 1u57 n MET 4 Cb 0.04 -1.24 0.04 0.00 2.15 0.00 0.00 33.22 34.21 1u57 n MET 4 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 1u57 h MET 5 N -0.63 1.07 -0.51 2.12 2.86 -1.73 -0.04 114.93 118.08 1u57 h MET 5 Ca -0.50 -0.33 -0.08 0.00 -2.06 0.00 0.00 59.70 56.74 1u57 h MET 5 Cb 1.47 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 1u57 h MET 5 CO -0.28 1.03 0.03 1.15 1.06 0.00 0.00 176.91 179.90 1u57 h THR 6 N 0.98 1.26 0.28 2.22 2.02 -1.47 -3.10 112.91 115.11 1u57 h THR 6 Ca 0.18 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1u57 h THR 6 Cb 0.53 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1u57 h THR 6 CO 0.03 0.37 -0.14 0.00 0.37 0.00 0.00 175.52 176.15 1u57 h ALA 7 N 0.95 -0.38 -0.17 6.16 0.00 -1.64 -3.20 119.26 120.98 1u57 h ALA 7 Ca 0.15 -0.17 -0.69 0.00 0.00 0.00 0.00 54.91 54.20 1u57 h ALA 7 Cb 0.49 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1u57 h ALA 7 CO 0.02 -0.58 3.44 0.00 0.00 0.00 0.00 179.25 182.13 1u57 h GLN 9 N 4.99 0.52 -4.64 0.00 5.75 -1.54 -3.45 115.11 116.74 1u57 h GLN 9 Ca 0.81 -0.06 -0.28 0.00 -0.15 0.00 0.00 58.65 58.97 1u57 h GLN 9 Cb 0.32 -0.10 0.11 0.00 1.07 0.00 0.00 27.48 28.87 1u57 h GLN 9 CO 1.72 0.42 -0.53 0.41 -2.65 0.00 0.00 178.83 178.21 1u57 n GLY 10 N -0.99 -0.16 0.24 2.39 0.00 -1.26 -4.94 105.19 100.47 1u57 n GLY 10 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1u57 n GLY 10 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1u57 h VAL 11 N -1.84 1.25 -0.61 1.61 3.04 -1.97 -2.66 116.25 115.07 1u57 h VAL 11 Ca -0.43 -1.16 -0.02 0.00 -1.01 0.00 0.00 66.70 64.09 1u57 h VAL 11 Cb 1.27 1.26 -0.03 0.00 -2.01 0.00 0.00 31.29 31.78 1u57 h VAL 11 CO 0.40 0.37 0.30 1.23 -1.01 0.00 0.00 177.57 178.86 1u57 h GLY 12 N 0.98 0.94 0.00 3.17 0.00 -1.99 -3.49 103.07 102.68 1u57 h GLY 12 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1u57 h GLY 12 CO 0.04 0.44 0.00 0.61 0.00 0.00 0.00 176.54 177.63 1u57 n GLY 13 N -0.95 -0.07 0.21 4.60 0.00 -1.00 -1.50 105.19 106.47 1u57 n GLY 13 Ca 0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.06 1u57 n GLY 13 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u57 h PRO 14 N 0.00 0.23 -0.72 1.61 0.11 -1.94 0.65 132.00 131.94 1u57 h PRO 14 Ca 0.00 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.24 1u57 h PRO 14 Cb 0.00 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 30.96 1u57 h PRO 14 CO 0.00 0.15 0.23 0.78 -0.21 0.00 0.00 178.00 178.95 1u57 h GLY 15 N 0.24 1.04 1.75 -0.55 0.00 -1.98 0.32 103.07 103.89 1u57 h GLY 15 Ca 0.27 -0.09 -0.23 0.00 0.00 0.00 0.00 47.33 47.28 1u57 h GLY 15 CO -0.35 -0.14 -1.17 0.84 0.00 0.00 0.00 176.54 175.72 1u57 h HIS 16 N 0.35 0.00 0.00 5.60 -0.00 -0.89 -3.10 115.15 117.11 1u57 h HIS 16 Ca 0.40 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.76 1u57 h HIS 16 Cb 0.63 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.04 1u57 h HIS 16 CO -0.21 1.00 -0.05 0.87 -0.00 0.00 0.00 177.93 179.54 1u57 h LYS 17 N 0.00 0.00 -0.19 5.26 1.57 0.52 0.33 116.57 124.06 1u57 h LYS 17 Ca -0.08 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1u57 h LYS 17 Cb 1.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.14 1u57 h LYS 17 CO 0.12 0.05 -0.44 0.00 -0.57 0.00 0.00 179.45 178.61 1u57 h ALA 18 N 1.95 0.31 -0.39 3.86 0.00 -0.44 -2.00 119.26 122.55 1u57 h ALA 18 Ca -0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 1u57 h ALA 18 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1u57 h ALA 18 CO 0.01 0.44 -0.36 -0.09 0.00 0.00 0.00 179.25 179.25 1u57 h ARG 19 N 0.32 0.92 -0.17 0.00 2.43 -1.10 -1.70 114.38 115.08 1u57 h ARG 19 Ca -0.00 -0.47 -0.17 0.00 -0.81 0.00 0.00 59.98 58.53 1u57 h ARG 19 Cb 1.05 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1u57 h ARG 19 CO 0.10 1.12 -0.61 -0.24 -1.51 0.00 0.00 179.97 178.83 1u57 h VAL 20 N 0.76 1.32 0.30 0.20 3.04 -0.47 -0.69 116.25 120.71 1u57 h VAL 20 Ca 0.07 -1.88 -0.01 0.00 -1.01 0.00 0.00 66.70 63.87 1u57 h VAL 20 Cb 0.94 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 32.07 1u57 h VAL 20 CO 0.09 0.58 -0.15 0.25 -1.01 0.00 0.00 177.57 177.34 1u57 h LEU 21 N 0.43 -0.34 -1.00 3.16 5.85 -1.37 -2.11 115.31 119.92 1u57 h LEU 21 Ca -0.00 -0.18 0.22 0.00 0.84 0.00 0.00 57.88 58.75 1u57 h LEU 21 Cb 1.17 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 42.17 1u57 h LEU 21 CO 0.11 0.03 0.60 0.00 -0.34 0.00 0.00 178.44 178.84 1u57 h ALA 22 N -0.22 1.73 -0.34 1.25 0.00 -1.18 0.30 119.26 120.80 1u57 h ALA 22 Ca -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1u57 h ALA 22 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1u57 h ALA 22 CO 0.07 -0.16 0.16 1.49 0.00 0.00 0.00 179.25 180.81 1u57 h GLU 23 N 0.67 0.49 -0.14 0.00 4.81 -1.08 -1.89 114.58 117.44 1u57 h GLU 23 Ca 0.61 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.62 1u57 h GLU 23 Cb 1.06 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1u57 h GLU 23 CO -0.43 0.45 -0.53 0.00 -0.73 0.00 0.00 179.01 177.77 1u57 h ALA 24 N 1.01 0.81 0.00 2.92 0.00 -0.14 -0.50 119.26 123.36 1u57 h ALA 24 Ca 0.12 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1u57 h ALA 24 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1u57 h ALA 24 CO -0.01 0.68 0.00 -1.33 0.00 0.00 0.00 179.25 178.59 1u57 n MET 25 N -3.95 1.00 -0.00 0.00 2.81 0.80 -0.36 117.12 117.41 1u57 n MET 25 Ca -0.03 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.92 1u57 n MET 25 Cb 0.58 -1.41 -0.09 0.00 -0.71 0.00 0.00 33.22 31.60 1u57 n MET 25 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1u57 n SER 26 N -0.91 2.06 -0.12 7.83 7.64 -0.72 -4.38 113.62 125.03 1u57 n SER 26 Ca 0.19 -0.11 -0.23 0.00 1.01 0.00 0.00 58.87 59.73 1u57 n SER 26 Cb 0.09 1.46 -0.11 0.00 -1.01 0.00 0.00 64.21 64.64 1u57 n SER 26 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1u57 n GLN 27 N -1.82 0.63 -0.07 1.43 7.27 -0.27 -3.56 117.38 121.00 1u57 n GLN 27 Ca -0.02 0.24 -0.12 0.00 0.07 0.00 0.00 57.00 57.18 1u57 n GLN 27 Cb 0.29 -1.55 -0.06 0.00 2.41 0.00 0.00 30.24 31.33 1u57 n GLN 27 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1u57 h VAL 28 N -0.44 1.28 -0.93 1.69 2.07 -0.97 0.80 116.25 119.76 1u57 h VAL 28 Ca -0.59 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.00 1u57 h VAL 28 Cb 1.76 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 33.02 1u57 h VAL 28 CO -0.20 0.30 0.61 0.00 0.02 0.00 0.00 177.57 178.29 1u57 h THR 29 N 0.09 1.09 -0.55 2.57 1.03 -1.76 -1.06 112.91 114.32 1u57 h THR 29 Ca 0.05 -0.37 -0.09 0.00 -0.01 0.00 0.00 66.41 65.99 1u57 h THR 29 Cb 0.47 -0.09 -0.02 0.00 -1.07 0.00 0.00 68.15 67.44 1u57 h THR 29 CO 0.02 0.20 0.01 -1.13 -0.01 0.00 0.00 175.52 174.60 1u57 h ASN 30 N 1.09 0.94 0.10 0.00 -1.24 -1.53 0.26 115.58 115.20 1u57 h ASN 30 Ca 0.39 -0.30 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 1u57 h ASN 30 Cb 0.15 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 38.94 1u57 h ASN 30 CO -0.14 1.02 -0.09 0.28 -1.29 0.00 0.00 177.43 177.20 1u57 h SER 31 N 0.84 0.00 0.87 1.15 0.02 0.17 -0.33 113.55 116.27 1u57 h SER 31 Ca 0.16 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.88 1u57 h SER 31 Cb 0.53 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1u57 h SER 31 CO 0.03 0.09 -1.20 0.00 -1.14 0.00 0.00 176.83 174.60 1u57 h ALA 32 N 1.91 0.53 -0.33 3.77 0.00 -0.80 -3.26 119.26 121.09 1u57 h ALA 32 Ca -0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 54.91 53.82 1u57 h ALA 32 Cb 0.16 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1u57 h ALA 32 CO 0.01 1.28 0.01 0.00 0.00 0.00 0.00 179.25 180.55 1u57 h THR 33 N 0.00 1.19 -0.75 0.00 1.03 0.69 -0.89 112.91 114.17 1u57 h THR 33 Ca -0.11 -0.73 -0.00 0.00 -0.01 0.00 0.00 66.41 65.56 1u57 h THR 33 Cb 1.80 0.93 -0.04 0.00 -1.07 0.00 0.00 68.15 69.77 1u57 h THR 33 CO 0.10 0.25 0.47 0.40 -0.01 0.00 0.00 175.52 176.73 1u57 h ILE 34 N 0.48 1.21 -0.42 0.00 2.04 -1.16 -0.83 117.51 118.83 1u57 h ILE 34 Ca 0.11 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 1u57 h ILE 34 Cb 0.30 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1u57 h ILE 34 CO 0.01 0.21 0.01 0.24 0.00 0.00 0.00 178.15 178.62 1u57 h MET 35 N 1.03 0.74 0.14 2.37 2.86 -1.22 0.30 114.93 121.15 1u57 h MET 35 Ca 0.27 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1u57 h MET 35 Cb -0.06 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1u57 h MET 35 CO -0.05 0.81 -0.07 0.52 1.06 0.00 0.00 176.91 179.18 1u57 h MET 36 N 0.58 -0.18 -0.24 1.72 2.86 -1.18 -2.23 114.93 116.25 1u57 h MET 36 Ca 0.12 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1u57 h MET 36 Cb 0.48 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1u57 h MET 36 CO 0.02 -0.07 0.19 0.37 1.06 0.00 0.00 176.91 178.48 1u57 h GLN 37 N -0.25 0.00 -2.02 1.72 4.15 -1.01 -0.16 115.11 117.55 1u57 h GLN 37 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1u57 h GLN 37 Cb 0.19 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1u57 h GLN 37 CO 0.03 0.00 -0.03 -2.13 -1.93 0.00 0.00 178.83 174.77 1u57 n ARG 38 N -4.25 0.97 0.00 1.69 3.00 0.10 -1.65 116.66 116.53 1u57 n ARG 38 Ca 0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1u57 n ARG 38 Cb 0.34 -1.18 0.00 0.00 0.00 0.00 0.00 32.46 31.62 1u57 n ARG 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1u57 n GLY 39 N 1.70 -1.49 1.75 5.14 0.00 -1.19 -4.89 105.19 106.21 1u57 n GLY 39 Ca 0.05 0.54 -0.09 0.00 0.00 0.00 0.00 46.02 46.52 1u57 n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u57 n ASN 40 N 0.00 5.80 0.03 1.61 3.02 -0.08 -2.39 115.26 123.25 1u57 n ASN 40 Ca 0.00 -2.70 0.00 0.00 -0.03 0.00 0.00 54.58 51.85 1u57 n ASN 40 Cb 0.00 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 1u57 n ASN 40 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1u57 n PHE 41 N 1.16 -1.81 0.04 3.10 -0.00 -1.19 -4.71 117.46 114.04 1u57 n PHE 41 Ca 0.18 0.18 -0.13 0.00 -0.00 0.00 0.00 57.45 57.68 1u57 n PHE 41 Cb 0.57 0.71 -0.08 0.00 -0.00 0.00 0.00 39.48 40.68 1u57 n PHE 41 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1u57 h ARG 42 N 0.00 -0.53 -0.28 -4.13 2.43 -1.38 -0.94 114.38 109.55 1u57 h ARG 42 Ca 0.00 0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.02 1u57 h ARG 42 Cb 0.00 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1u57 h ARG 42 CO 0.00 -0.35 -0.56 -0.97 -1.51 0.00 0.00 179.97 176.58 1u57 h ASN 43 N -0.55 0.96 -0.05 -3.80 -0.73 -1.75 -3.28 115.58 106.38 1u57 h ASN 43 Ca 0.01 -0.52 0.04 0.00 1.87 0.00 0.00 56.30 57.70 1u57 h ASN 43 Cb 0.60 -0.28 -0.05 0.00 0.27 0.00 0.00 38.32 38.86 1u57 h ASN 43 CO -0.31 1.32 -0.32 1.56 -0.37 0.00 0.00 177.43 179.32 1u57 h GLN 44 N 0.66 -0.42 -5.52 6.67 4.20 -1.58 -3.47 115.11 115.64 1u57 h GLN 44 Ca 0.01 0.03 -0.31 0.00 0.06 0.00 0.00 58.65 58.44 1u57 h GLN 44 Cb 1.17 0.10 0.17 0.00 0.30 0.00 0.00 27.48 29.21 1u57 h GLN 44 CO 0.12 -0.28 -0.76 0.54 -0.67 0.00 0.00 178.83 177.79 1u57 n ARG 45 N -5.41 -5.99 0.00 1.46 1.74 -0.37 -5.01 116.66 103.09 1u57 n ARG 45 Ca -0.04 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 1u57 n ARG 45 Cb 0.32 -5.76 0.00 0.00 -1.02 0.00 0.00 32.46 26.00 1u57 n ARG 45 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1u57 n LYS 46 N -3.95 0.00 -0.75 5.56 4.81 -1.26 -5.07 118.16 117.50 1u57 n LYS 46 Ca -0.26 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 56.86 1u57 n LYS 46 Cb 0.66 0.00 0.15 0.00 0.02 0.00 0.00 35.03 35.86 1u57 n LYS 46 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1u57 n ILE 47 N 0.00 0.16 0.73 3.15 -5.35 -1.26 -5.18 119.36 111.61 1u57 n ILE 47 Ca 0.00 -0.09 0.09 0.00 -0.27 0.00 0.00 62.75 62.48 1u57 n ILE 47 Cb 0.00 -0.88 0.07 0.00 -1.74 0.00 0.00 39.64 37.09 1u57 n ILE 47 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12