#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 2.57 0.00 1.47 1.02 -1.26 -4.81 120.64 119.63 1u57 n GLU 2 Ca 0.00 -2.87 0.00 0.00 -0.02 0.00 0.00 57.16 54.27 1u57 n GLU 2 Cb 0.00 -3.51 0.00 0.00 -0.02 0.00 0.00 31.44 27.91 1u57 n GLU 2 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1u57 n GLU 3 N 8.01 0.60 0.15 3.49 0.28 -1.26 -3.38 120.64 128.52 1u57 n GLU 3 Ca 0.48 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.35 1u57 n GLU 3 Cb 0.45 -1.12 -0.08 0.00 1.43 0.00 0.00 31.44 32.12 1u57 n GLU 3 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1u57 h MET 4 N 0.17 -0.36 -0.13 3.44 2.86 -1.99 -0.54 114.93 118.38 1u57 h MET 4 Ca 0.00 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1u57 h MET 4 Cb 0.12 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1u57 h MET 4 CO 0.00 -0.06 -0.08 0.00 1.06 0.00 0.00 176.91 177.83 1u57 h MET 5 N -0.67 0.19 -0.38 1.72 -0.00 -1.88 -0.95 114.93 112.96 1u57 h MET 5 Ca -0.04 -0.03 -0.16 0.00 -0.00 0.00 0.00 59.70 59.47 1u57 h MET 5 Cb 0.47 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.03 1u57 h MET 5 CO 0.06 0.28 -0.37 1.15 -0.00 0.00 0.00 176.91 178.04 1u57 h THR 6 N 0.19 1.27 0.51 -0.10 2.02 -1.74 -2.42 112.91 112.65 1u57 h THR 6 Ca 0.04 -1.55 -0.03 0.00 0.77 0.00 0.00 66.41 65.65 1u57 h THR 6 Cb 0.27 1.37 0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1u57 h THR 6 CO 0.01 0.52 -0.25 0.00 0.37 0.00 0.00 175.52 176.17 1u57 h ALA 7 N 0.81 -0.92 -0.45 6.16 0.00 -0.52 -3.28 119.26 121.05 1u57 h ALA 7 Ca 0.06 -0.15 -0.55 0.00 0.00 0.00 0.00 54.91 54.27 1u57 h ALA 7 Cb 0.96 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 1u57 h ALA 7 CO 0.09 -0.87 1.21 0.00 0.00 0.00 0.00 179.25 179.68 1u57 h GLN 9 N 3.67 0.51 -3.41 0.00 4.15 -1.50 -3.46 115.11 115.08 1u57 h GLN 9 Ca 0.50 -0.87 -0.13 0.00 0.77 0.00 0.00 58.65 58.92 1u57 h GLN 9 Cb 0.66 0.32 0.07 0.00 0.21 0.00 0.00 27.48 28.74 1u57 h GLN 9 CO 1.05 1.42 -0.30 0.41 -1.93 0.00 0.00 178.83 179.48 1u57 n GLY 10 N 1.72 0.13 0.21 2.39 0.00 -1.26 -4.98 105.19 103.39 1u57 n GLY 10 Ca -0.17 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.74 1.32 0.00 1.61 3.04 -1.94 -3.47 116.25 116.06 1u57 h VAL 11 Ca -0.23 -2.02 0.00 0.00 -1.01 0.00 0.00 66.70 63.44 1u57 h VAL 11 Cb 1.13 2.00 0.00 0.00 -2.01 0.00 0.00 31.29 32.42 1u57 h VAL 11 CO 0.19 0.63 0.00 0.61 -1.01 0.00 0.00 177.57 177.99 1u57 n GLY 12 N 0.61 2.42 0.00 3.17 0.00 -1.26 -4.85 105.19 105.29 1u57 n GLY 12 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1u57 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u57 n GLY 13 N 0.00 2.63 0.23 -0.02 0.00 -1.26 -4.66 105.19 102.11 1u57 n GLY 13 Ca 0.00 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 1u57 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u57 h PRO 14 N 0.00 -0.54 -0.91 1.61 0.13 -1.99 0.11 132.00 130.41 1u57 h PRO 14 Ca 0.00 0.04 0.21 0.00 -0.87 0.00 0.00 66.00 65.38 1u57 h PRO 14 Cb 0.00 0.12 -0.07 0.00 0.13 0.00 0.00 31.00 31.19 1u57 h PRO 14 CO 0.00 -0.36 0.61 0.78 -0.23 0.00 0.00 178.00 178.80 1u57 h GLY 15 N -0.71 0.82 1.61 1.56 0.00 -1.98 -0.58 103.07 103.80 1u57 h GLY 15 Ca -0.06 -0.17 -0.26 0.00 0.00 0.00 0.00 47.33 46.84 1u57 h GLY 15 CO 0.09 -0.01 -1.14 0.84 0.00 0.00 0.00 176.54 176.32 1u57 h HIS 16 N 0.37 0.53 -0.60 5.60 6.17 -1.82 -0.56 115.15 124.84 1u57 h HIS 16 Ca 0.48 -0.35 -0.02 0.00 0.71 0.00 0.00 60.37 61.18 1u57 h HIS 16 Cb 1.24 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 31.10 1u57 h HIS 16 CO -0.00 1.23 0.27 -0.22 0.71 0.00 0.00 177.93 179.92 1u57 h LYS 17 N 0.12 0.86 -0.17 5.26 1.63 0.68 0.85 116.57 125.80 1u57 h LYS 17 Ca -0.12 -0.12 -0.13 0.00 -0.85 0.00 0.00 60.65 59.44 1u57 h LYS 17 Cb 1.83 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 33.29 1u57 h LYS 17 CO 0.19 0.68 -0.46 0.00 -3.45 0.00 0.00 179.45 176.41 1u57 h ALA 18 N 1.45 0.90 -0.41 5.00 0.00 -1.14 -0.96 119.26 124.10 1u57 h ALA 18 Ca 0.21 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1u57 h ALA 18 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1u57 h ALA 18 CO -0.03 0.65 -0.33 -0.09 0.00 0.00 0.00 179.25 179.45 1u57 h ARG 19 N 0.34 0.93 -0.46 0.00 9.65 -0.09 0.02 114.38 124.76 1u57 h ARG 19 Ca 0.02 -0.45 -0.08 0.00 -1.10 0.00 0.00 59.98 58.37 1u57 h ARG 19 Cb 0.94 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.50 1u57 h ARG 19 CO 0.08 1.11 -0.02 0.28 2.80 0.00 0.00 179.97 184.22 1u57 h VAL 20 N 0.77 1.26 0.08 0.20 2.07 -0.79 -1.32 116.25 118.53 1u57 h VAL 20 Ca 0.08 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 1u57 h VAL 20 Cb 0.91 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1u57 h VAL 20 CO 0.08 0.38 -0.04 0.25 0.02 0.00 0.00 177.57 178.26 1u57 h LEU 21 N 0.68 -0.09 -1.25 2.57 5.85 -1.10 -1.65 115.31 120.31 1u57 h LEU 21 Ca 0.13 -0.05 0.15 0.00 0.84 0.00 0.00 57.88 58.96 1u57 h LEU 21 Cb 0.53 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 1u57 h LEU 21 CO 0.03 -0.01 0.59 0.00 -0.34 0.00 0.00 178.44 178.70 1u57 h ALA 22 N 0.75 1.83 0.15 1.25 0.00 -0.75 0.38 119.26 122.87 1u57 h ALA 22 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1u57 h ALA 22 Cb 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1u57 h ALA 22 CO 0.02 -0.09 -0.07 1.49 0.00 0.00 0.00 179.25 180.59 1u57 h GLU 23 N 0.70 -0.20 -0.39 0.00 4.22 -0.97 -1.73 114.58 116.21 1u57 h GLU 23 Ca 0.47 0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.80 1u57 h GLU 23 Cb 0.78 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1u57 h GLU 23 CO -0.23 -0.01 -0.26 0.00 -2.18 0.00 0.00 179.01 176.33 1u57 h ALA 24 N 0.46 0.81 0.63 2.92 0.00 -0.21 -1.66 119.26 122.21 1u57 h ALA 24 Ca -0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1u57 h ALA 24 Cb 0.28 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1u57 h ALA 24 CO 0.03 0.65 -0.30 0.52 0.00 0.00 0.00 179.25 180.15 1u57 h MET 25 N 0.70 -0.81 -0.90 0.00 2.86 -0.32 0.13 114.93 116.59 1u57 h MET 25 Ca 0.09 0.06 0.24 0.00 -2.06 0.00 0.00 59.70 58.02 1u57 h MET 25 Cb 0.79 0.18 -0.14 0.00 0.06 0.00 0.00 31.60 32.50 1u57 h MET 25 CO 0.07 -0.51 0.35 1.03 1.06 0.00 0.00 176.91 178.91 1u57 h SER 26 N -0.95 0.21 -0.11 1.22 0.87 -1.20 0.36 113.55 113.95 1u57 h SER 26 Ca -0.09 0.18 -0.19 0.00 -1.23 0.00 0.00 61.79 60.46 1u57 h SER 26 Cb 0.68 0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1u57 h SER 26 CO 0.14 -0.09 -0.68 -0.61 -0.53 0.00 0.00 176.83 175.07 1u57 h GLN 27 N 0.30 0.65 0.06 2.24 4.15 -0.91 -1.17 115.11 120.44 1u57 h GLN 27 Ca 0.58 -0.55 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1u57 h GLN 27 Cb 1.17 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1u57 h GLN 27 CO -0.60 1.17 -0.03 0.28 -1.93 0.00 0.00 178.83 177.72 1u57 h VAL 28 N 0.31 1.23 -0.70 2.39 2.07 0.17 -0.88 116.25 120.85 1u57 h VAL 28 Ca -0.05 -1.12 0.09 0.00 0.82 0.00 0.00 66.70 66.44 1u57 h VAL 28 Cb 1.32 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.99 1u57 h VAL 28 CO 0.14 0.27 0.46 0.74 0.02 0.00 0.00 177.57 179.20 1u57 h THR 29 N -0.60 0.93 -0.18 2.57 2.02 -1.06 -0.53 112.91 116.06 1u57 h THR 29 Ca -0.01 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 1u57 h THR 29 Cb 0.51 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1u57 h THR 29 CO 0.01 0.11 -0.14 -1.13 0.37 0.00 0.00 175.52 174.74 1u57 h ASN 30 N 0.59 0.44 0.05 4.18 -1.24 -1.04 0.15 115.58 118.71 1u57 h ASN 30 Ca 0.32 -0.45 -0.00 0.00 0.71 0.00 0.00 56.30 56.88 1u57 h ASN 30 Cb 0.47 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.40 1u57 h ASN 30 CO -0.11 0.80 -0.01 -1.28 -1.29 0.00 0.00 177.43 175.54 1u57 h SER 31 N 0.08 0.00 0.51 1.15 0.87 -0.10 0.45 113.55 116.52 1u57 h SER 31 Ca 0.03 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.35 1u57 h SER 31 Cb 0.65 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 1u57 h SER 31 CO 0.04 0.01 -1.67 0.00 -0.53 0.00 0.00 176.83 174.68 1u57 n ALA 32 N -2.24 1.69 0.02 6.23 0.00 -0.31 -3.89 120.51 122.02 1u57 n ALA 32 Ca -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 53.44 52.71 1u57 n ALA 32 Cb 0.09 -0.83 0.38 0.00 0.00 0.00 0.00 19.45 19.10 1u57 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u57 h THR 33 N 0.00 1.14 -0.98 0.00 1.03 0.13 -0.17 112.91 114.06 1u57 h THR 33 Ca -0.26 -0.47 0.05 0.00 -0.01 0.00 0.00 66.41 65.73 1u57 h THR 33 Cb 1.85 0.76 -0.06 0.00 -1.07 0.00 0.00 68.15 69.63 1u57 h THR 33 CO 0.06 0.17 0.64 0.40 -0.01 0.00 0.00 175.52 176.78 1u57 h ILE 34 N 0.48 1.13 -0.30 0.00 1.08 -1.23 -0.03 117.51 118.64 1u57 h ILE 34 Ca 0.12 -0.41 -0.17 0.00 -0.39 0.00 0.00 64.86 64.01 1u57 h ILE 34 Cb 0.13 -0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 33.70 1u57 h ILE 34 CO -0.01 0.22 -0.46 0.24 -0.69 0.00 0.00 178.15 177.45 1u57 h MET 35 N 1.20 0.84 0.04 2.37 2.86 -1.18 0.14 114.93 121.21 1u57 h MET 35 Ca 0.41 -0.50 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1u57 h MET 35 Cb 0.07 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1u57 h MET 35 CO -0.15 1.14 -0.02 0.52 1.06 0.00 0.00 176.91 179.46 1u57 h MET 36 N 0.61 -0.06 -0.96 1.72 2.86 -1.03 -2.32 114.93 115.75 1u57 h MET 36 Ca 0.03 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.80 1u57 h MET 36 Cb 1.06 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.65 1u57 h MET 36 CO 0.11 0.06 0.61 0.37 1.06 0.00 0.00 176.91 179.12 1u57 h GLN 37 N -0.16 0.86 -1.98 1.72 4.15 -0.95 -0.17 115.11 118.57 1u57 h GLN 37 Ca -0.01 -0.05 -0.25 0.00 0.77 0.00 0.00 58.65 59.11 1u57 h GLN 37 Cb 0.14 -0.19 -0.09 0.00 0.21 0.00 0.00 27.48 27.55 1u57 h GLN 37 CO 0.01 0.57 -0.14 0.54 -1.93 0.00 0.00 178.83 177.88 1u57 n ARG 38 N -4.61 1.99 0.02 1.69 3.00 0.48 -3.41 116.66 115.83 1u57 n ARG 38 Ca 0.19 -1.24 0.00 0.00 -0.01 0.00 0.00 57.85 56.78 1u57 n ARG 38 Cb 0.40 -1.92 0.00 0.00 0.00 0.00 0.00 32.46 30.94 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 1.93 -1.88 2.23 -0.13 0.00 -0.65 -4.91 105.19 101.80 1u57 n GLY 39 Ca 0.40 0.49 -0.28 0.00 0.00 0.00 0.00 46.02 46.62 1u57 n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u57 n ASN 40 N -2.41 7.24 0.05 1.61 0.23 -0.17 -1.81 115.26 120.01 1u57 n ASN 40 Ca 0.00 -2.66 0.00 0.00 -0.53 0.00 0.00 54.58 51.39 1u57 n ASN 40 Cb 0.00 -1.46 0.00 0.00 -2.08 0.00 0.00 39.78 36.24 1u57 n ASN 40 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1u57 n PHE 41 N 2.75 -2.92 -0.16 -2.53 7.35 -1.22 -4.77 117.46 115.96 1u57 n PHE 41 Ca 0.62 0.37 -0.07 0.00 -0.76 0.00 0.00 57.45 57.61 1u57 n PHE 41 Cb 0.51 1.29 0.02 0.00 0.35 0.00 0.00 39.48 41.65 1u57 n PHE 41 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1u57 h ARG 42 N 0.00 0.62 -0.40 -4.13 2.43 -1.75 -2.49 114.38 108.66 1u57 h ARG 42 Ca 0.00 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1u57 h ARG 42 Cb 0.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1u57 h ARG 42 CO 0.00 0.41 0.14 -0.97 -1.51 0.00 0.00 179.97 178.04 1u57 h ASN 43 N 0.64 0.58 -1.71 -3.80 -1.24 -1.70 -3.45 115.58 104.89 1u57 h ASN 43 Ca 0.19 -0.19 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1u57 h ASN 43 Cb -0.04 -0.15 0.03 0.00 0.73 0.00 0.00 38.32 38.88 1u57 h ASN 43 CO -0.06 0.62 0.01 0.00 -1.29 0.00 0.00 177.43 176.71 1u57 n GLN 44 N -4.61 -1.40 -2.17 6.67 1.13 -0.94 -4.86 117.38 111.20 1u57 n GLN 44 Ca -0.00 -0.24 -0.04 0.00 -1.94 0.00 0.00 57.00 54.78 1u57 n GLN 44 Cb 0.17 -0.23 0.00 0.00 0.11 0.00 0.00 30.24 30.30 1u57 n GLN 44 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1u57 n ARG 45 N -2.02 -1.20 -1.44 -1.09 1.74 -1.26 -4.90 116.66 106.50 1u57 n ARG 45 Ca 0.02 1.32 -0.27 0.00 -0.77 0.00 0.00 57.85 58.15 1u57 n ARG 45 Cb 0.08 -3.59 -0.07 0.00 -1.02 0.00 0.00 32.46 27.86 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 -0.39 2.88 -2.52 5.56 4.81 -1.26 -4.47 118.16 122.77 1u57 n LYS 46 Ca 0.06 -2.20 -0.08 0.00 -0.87 0.00 0.00 58.31 55.22 1u57 n LYS 46 Cb 0.23 -2.28 0.04 0.00 0.02 0.00 0.00 35.03 33.04 1u57 n LYS 46 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1u57 n ILE 47 N 1.77 -5.87 -1.68 3.15 2.08 -1.26 -5.34 119.36 112.21 1u57 n ILE 47 Ca 0.53 -0.75 0.00 0.00 0.56 0.00 0.00 62.75 63.09 1u57 n ILE 47 Cb 0.55 -5.11 0.00 0.00 -0.75 0.00 0.00 39.64 34.33 1u57 n ILE 47 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66