#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u57 s GLU 2 N 0.00 1.96 0.00 3.23 1.03 -1.26 -4.90 118.70 118.76 1u57 s GLU 2 Ca 0.00 1.73 0.00 0.00 0.03 0.00 0.00 54.97 56.73 1u57 s GLU 2 Cb 0.00 -1.82 0.00 0.00 -0.80 0.00 0.00 34.13 31.51 1u57 s GLU 2 CO 0.00 -1.96 0.56 -0.85 -1.33 0.00 0.00 175.26 171.67 1u57 n GLU 3 N -2.96 0.59 -0.04 -4.83 0.28 -1.26 -3.06 120.64 109.35 1u57 n GLU 3 Ca 0.13 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.99 1u57 n GLU 3 Cb 0.50 -1.03 -0.08 0.00 1.43 0.00 0.00 31.44 32.26 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 0.05 0.30 -0.36 3.44 2.86 -1.98 -0.75 114.93 118.48 1u57 h MET 4 Ca 0.00 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 1u57 h MET 4 Cb 0.03 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1u57 h MET 4 CO 0.00 0.78 -0.15 0.52 1.06 0.00 0.00 176.91 179.11 1u57 h MET 5 N -0.14 0.66 -0.42 1.72 2.86 -1.80 -0.00 114.93 117.80 1u57 h MET 5 Ca 0.01 -0.22 -0.12 0.00 -2.06 0.00 0.00 59.70 57.30 1u57 h MET 5 Cb 0.76 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1u57 h MET 5 CO 0.04 0.78 -0.22 1.15 1.06 0.00 0.00 176.91 179.73 1u57 h THR 6 N 0.59 1.27 -0.05 2.22 2.02 -1.71 -2.42 112.91 114.84 1u57 h THR 6 Ca 0.10 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.91 1u57 h THR 6 Cb 0.60 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1u57 h THR 6 CO 0.04 0.45 -0.06 0.00 0.37 0.00 0.00 175.52 176.32 1u57 h ALA 7 N 1.02 0.07 -2.07 6.16 0.00 -0.98 -3.38 119.26 120.09 1u57 h ALA 7 Ca 0.10 -0.29 -0.70 0.00 0.00 0.00 0.00 54.91 54.02 1u57 h ALA 7 Cb 0.74 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.17 1u57 h ALA 7 CO 0.06 -0.11 0.08 0.00 0.00 0.00 0.00 179.25 179.28 1u57 n GLN 9 N 1.10 2.27 0.21 0.00 6.02 -0.92 -4.64 117.38 121.42 1u57 n GLN 9 Ca 0.28 -2.59 -0.15 0.00 -0.01 0.00 0.00 57.00 54.53 1u57 n GLN 9 Cb 0.37 -3.40 -0.08 0.00 1.02 0.00 0.00 30.24 28.15 1u57 n GLN 9 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1u57 h GLY 10 N 13.97 -0.51 -6.91 1.08 0.00 -1.93 -3.47 103.07 105.29 1u57 h GLY 10 Ca 0.40 0.19 -0.58 0.00 0.00 0.00 0.00 47.33 47.33 1u57 h GLY 10 CO 1.58 -0.19 -0.93 1.55 0.00 0.00 0.00 176.54 178.55 1u57 n VAL 11 N -5.27 -1.48 0.00 4.60 3.14 -1.26 -1.53 118.33 116.53 1u57 n VAL 11 Ca -0.11 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 1u57 n VAL 11 Cb 0.23 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.56 1u57 n VAL 11 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1u57 n GLY 12 N -2.20 4.00 0.00 7.55 0.00 -1.26 -5.03 105.19 108.25 1u57 n GLY 12 Ca -0.25 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.13 0.26 -0.02 0.00 -0.58 -4.38 105.19 100.34 1u57 n GLY 13 Ca 0.00 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.38 -0.93 1.61 0.13 -1.98 0.12 132.00 130.58 1u57 h PRO 14 Ca 0.00 0.03 0.23 0.00 -0.87 0.00 0.00 66.00 65.39 1u57 h PRO 14 Cb 0.00 0.09 -0.13 0.00 0.13 0.00 0.00 31.00 31.09 1u57 h PRO 14 CO 0.00 -0.25 0.45 0.78 -0.23 0.00 0.00 178.00 178.75 1u57 h GLY 15 N -0.40 1.66 1.37 1.56 0.00 -1.99 0.24 103.07 105.51 1u57 h GLY 15 Ca 0.04 -0.21 -0.27 0.00 0.00 0.00 0.00 47.33 46.90 1u57 h GLY 15 CO -0.16 -0.28 -1.44 0.84 0.00 0.00 0.00 176.54 175.51 1u57 h HIS 16 N 0.44 0.12 -0.21 5.60 -0.00 -1.67 -2.88 115.15 116.54 1u57 h HIS 16 Ca 0.59 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.87 1u57 h HIS 16 Cb 1.15 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.54 1u57 h HIS 16 CO -0.10 1.11 0.10 0.87 -0.00 0.00 0.00 177.93 179.91 1u57 h LYS 17 N 0.02 0.29 -0.05 5.26 1.79 0.47 0.90 116.57 125.24 1u57 h LYS 17 Ca -0.19 -0.03 -0.19 0.00 -2.18 0.00 0.00 60.65 58.07 1u57 h LYS 17 Cb 1.93 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.52 1u57 h LYS 17 CO 0.11 0.23 -0.76 0.00 -1.08 0.00 0.00 179.45 177.95 1u57 h ALA 18 N 1.82 0.59 -0.29 3.86 0.00 -0.63 -0.92 119.26 123.68 1u57 h ALA 18 Ca 0.08 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 1u57 h ALA 18 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1u57 h ALA 18 CO -0.01 0.79 -0.00 -0.09 0.00 0.00 0.00 179.25 179.94 1u57 h ARG 19 N 0.23 0.52 -0.55 0.00 2.43 -0.94 -0.17 114.38 115.90 1u57 h ARG 19 Ca -0.04 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 1u57 h ARG 19 Cb 1.34 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 1u57 h ARG 19 CO 0.13 0.67 0.23 0.28 -1.51 0.00 0.00 179.97 179.77 1u57 h VAL 20 N 0.31 1.22 0.39 0.20 2.07 -0.89 -1.16 116.25 118.38 1u57 h VAL 20 Ca 0.08 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1u57 h VAL 20 Cb 0.44 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1u57 h VAL 20 CO 0.02 0.25 -0.23 0.25 0.02 0.00 0.00 177.57 177.88 1u57 h LEU 21 N 0.74 -0.56 -1.28 2.57 5.85 -1.09 -1.46 115.31 120.09 1u57 h LEU 21 Ca 0.18 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.12 1u57 h LEU 21 Cb 0.18 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1u57 h LEU 21 CO -0.02 -0.37 0.60 0.00 -0.34 0.00 0.00 178.44 178.32 1u57 h ALA 22 N 0.00 1.93 -0.13 1.25 0.00 -0.73 0.32 119.26 121.91 1u57 h ALA 22 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1u57 h ALA 22 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1u57 h ALA 22 CO 0.05 -0.24 0.05 1.49 0.00 0.00 0.00 179.25 180.60 1u57 h GLU 23 N 0.61 0.19 -0.16 0.00 4.22 -0.94 -2.66 114.58 115.84 1u57 h GLU 23 Ca 0.50 -0.04 -0.14 0.00 0.08 0.00 0.00 59.36 59.77 1u57 h GLU 23 Cb 0.97 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1u57 h GLU 23 CO -0.25 0.31 -0.49 0.00 -2.18 0.00 0.00 179.01 176.39 1u57 h ALA 24 N 0.88 0.86 0.00 2.92 0.00 0.14 -0.51 119.26 123.55 1u57 h ALA 24 Ca 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1u57 h ALA 24 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1u57 h ALA 24 CO -0.00 0.67 0.00 -1.33 0.00 0.00 0.00 179.25 178.58 1u57 n MET 25 N -3.97 0.95 -0.07 0.00 2.81 0.92 -0.52 117.12 117.23 1u57 n MET 25 Ca -0.02 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.77 1u57 n MET 25 Cb 0.56 -1.20 -0.08 0.00 -0.71 0.00 0.00 33.22 31.79 1u57 n MET 25 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1u57 n SER 26 N -0.70 2.65 0.00 7.83 2.88 -0.73 -4.39 113.62 121.16 1u57 n SER 26 Ca 0.09 -0.07 -0.17 0.00 -1.33 0.00 0.00 58.87 57.39 1u57 n SER 26 Cb 0.04 -0.02 -0.13 0.00 -0.75 0.00 0.00 64.21 63.35 1u57 n SER 26 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1u57 h GLN 27 N 0.00 0.22 -0.09 -1.46 5.75 -0.75 -1.74 115.11 117.04 1u57 h GLN 27 Ca -0.34 -0.32 -0.05 0.00 -0.15 0.00 0.00 58.65 57.80 1u57 h GLN 27 Cb 1.57 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 30.23 1u57 h GLN 27 CO -0.04 1.09 -0.13 0.28 -2.65 0.00 0.00 178.83 177.39 1u57 h VAL 28 N -0.49 1.38 -0.78 2.39 2.07 -1.07 -0.15 116.25 119.60 1u57 h VAL 28 Ca -0.08 -1.35 0.11 0.00 0.82 0.00 0.00 66.70 66.20 1u57 h VAL 28 Cb 1.31 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 33.09 1u57 h VAL 28 CO 0.09 0.38 0.51 0.74 0.02 0.00 0.00 177.57 179.32 1u57 h THR 29 N -0.20 0.91 -0.13 2.57 2.02 -1.73 0.81 112.91 117.16 1u57 h THR 29 Ca 0.01 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1u57 h THR 29 Cb 0.68 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1u57 h THR 29 CO 0.03 0.12 -0.13 -1.13 0.37 0.00 0.00 175.52 174.78 1u57 h ASN 30 N 0.66 0.34 -0.71 4.18 -0.73 -1.02 -1.24 115.58 117.05 1u57 h ASN 30 Ca 0.37 -0.48 0.06 0.00 1.87 0.00 0.00 56.30 58.11 1u57 h ASN 30 Cb 0.53 -0.10 -0.04 0.00 0.27 0.00 0.00 38.32 38.98 1u57 h ASN 30 CO -0.14 0.75 0.47 0.77 -0.37 0.00 0.00 177.43 178.91 1u57 h SER 31 N -0.06 0.67 0.31 1.15 4.64 0.25 0.29 113.55 120.80 1u57 h SER 31 Ca 0.02 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.17 1u57 h SER 31 Cb 0.66 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1u57 h SER 31 CO 0.03 0.44 -0.68 0.00 -0.87 0.00 0.00 176.83 175.75 1u57 h ALA 32 N 1.61 0.69 -0.31 5.18 0.00 -0.87 -2.58 119.26 122.97 1u57 h ALA 32 Ca 0.30 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1u57 h ALA 32 Cb 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1u57 h ALA 32 CO -0.10 0.76 -0.08 0.00 0.00 0.00 0.00 179.25 179.84 1u57 h THR 33 N 0.23 1.22 -0.41 0.00 1.03 0.64 0.57 112.91 116.18 1u57 h THR 33 Ca -0.02 -0.94 -0.08 0.00 -0.01 0.00 0.00 66.41 65.36 1u57 h THR 33 Cb 1.24 1.07 -0.02 0.00 -1.07 0.00 0.00 68.15 69.36 1u57 h THR 33 CO 0.11 0.31 -0.08 0.40 -0.01 0.00 0.00 175.52 176.26 1u57 h ILE 34 N 0.48 1.25 -0.04 0.00 1.08 -0.41 -0.70 117.51 119.17 1u57 h ILE 34 Ca 0.09 -1.08 -0.19 0.00 -0.39 0.00 0.00 64.86 63.30 1u57 h ILE 34 Cb 0.43 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 1u57 h ILE 34 CO 0.02 0.37 -0.79 0.00 -0.69 0.00 0.00 178.15 177.06 1u57 h MET 35 N 0.65 0.34 -0.25 2.37 -0.00 -0.97 0.20 114.93 117.26 1u57 h MET 35 Ca 0.12 -0.31 -0.15 0.00 -0.00 0.00 0.00 59.70 59.36 1u57 h MET 35 Cb 0.52 0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.19 1u57 h MET 35 CO 0.03 0.97 -0.47 0.00 -0.00 0.00 0.00 176.91 177.44 1u57 h MET 36 N 0.22 0.67 -0.62 -0.10 -0.00 -0.74 -2.61 114.93 111.74 1u57 h MET 36 Ca -0.04 -0.38 -0.08 0.00 -0.00 0.00 0.00 59.70 59.20 1u57 h MET 36 Cb 1.38 0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 32.99 1u57 h MET 36 CO 0.13 0.99 0.08 0.37 -0.00 0.00 0.00 176.91 178.48 1u57 h GLN 37 N 0.53 1.03 -1.99 -0.10 4.15 -1.08 -1.05 115.11 116.60 1u57 h GLN 37 Ca 0.03 -0.28 -0.20 0.00 0.77 0.00 0.00 58.65 58.97 1u57 h GLN 37 Cb 1.02 -0.12 -0.07 0.00 0.21 0.00 0.00 27.48 28.52 1u57 h GLN 37 CO 0.10 0.96 -0.21 0.54 -1.93 0.00 0.00 178.83 178.29 1u57 n ARG 38 N -4.21 1.87 0.16 1.69 3.00 0.05 -3.36 116.66 115.87 1u57 n ARG 38 Ca 0.04 -1.01 0.00 0.00 -0.01 0.00 0.00 57.85 56.87 1u57 n ARG 38 Cb 0.30 -1.84 0.00 0.00 0.00 0.00 0.00 32.46 30.92 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 2.08 -1.80 2.56 -0.13 0.00 -1.11 -4.91 105.19 101.88 1u57 n GLY 39 Ca 0.36 0.41 -0.08 0.00 0.00 0.00 0.00 46.02 46.72 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 -3.16 -0.05 0.08 1.61 6.94 -0.42 -3.61 115.26 116.65 1u57 n ASN 40 Ca 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.29 1u57 n ASN 40 Cb 0.00 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 1u57 n ASN 40 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1u57 n PHE 41 N -1.54 -2.97 -0.07 -2.53 7.35 -1.26 -4.84 117.46 111.59 1u57 n PHE 41 Ca -0.03 0.54 -0.15 0.00 -0.76 0.00 0.00 57.45 57.06 1u57 n PHE 41 Cb 0.12 1.62 -0.05 0.00 0.35 0.00 0.00 39.48 41.53 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 0.71 -0.13 -4.13 9.65 -1.97 -3.21 114.38 115.30 1u57 h ARG 42 Ca 0.00 -0.45 -0.07 0.00 -1.10 0.00 0.00 59.98 58.36 1u57 h ARG 42 Cb 0.00 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1u57 h ARG 42 CO 0.00 1.07 -0.24 -0.97 2.80 0.00 0.00 179.97 182.63 1u57 h ASN 43 N 0.44 0.23 -3.06 -3.80 -0.73 -1.88 -3.46 115.58 103.32 1u57 h ASN 43 Ca 0.01 -0.07 -0.39 0.00 1.87 0.00 0.00 56.30 57.73 1u57 h ASN 43 Cb 1.04 -0.06 0.22 0.00 0.27 0.00 0.00 38.32 39.78 1u57 h ASN 43 CO 0.10 0.48 -0.10 -1.10 -0.37 0.00 0.00 177.43 176.44 1u57 s GLN 44 N -4.49 -2.76 -1.10 6.67 -1.52 -1.21 -4.43 119.66 110.82 1u57 s GLN 44 Ca -0.05 0.20 -0.05 0.00 -1.95 0.00 0.00 55.36 53.51 1u57 s GLN 44 Cb 0.15 -1.39 -0.05 0.00 -0.22 0.00 0.00 33.01 31.50 1u57 s GLN 44 CO 0.75 -4.78 0.92 -2.13 -0.25 0.00 0.00 175.29 169.80 1u57 n ARG 45 N -5.57 -3.21 0.00 2.91 0.63 -1.26 -4.96 116.66 105.19 1u57 n ARG 45 Ca 0.12 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.87 1u57 n ARG 45 Cb 0.59 -5.71 0.00 0.00 0.45 0.00 0.00 32.46 27.79 1u57 n ARG 45 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1u57 n LYS 46 N -3.52 0.00 -4.43 -0.14 4.81 -1.26 -5.14 118.16 108.47 1u57 n LYS 46 Ca -0.13 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.12 1u57 n LYS 46 Cb 0.63 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.54 1u57 n LYS 46 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1u57 s ILE 47 N 3.53 0.88 -2.00 3.15 -1.09 -1.26 -5.29 121.20 119.13 1u57 s ILE 47 Ca 0.00 -0.58 0.25 0.00 -2.23 0.00 0.00 60.65 58.09 1u57 s ILE 47 Cb 0.00 -0.76 0.72 0.00 -1.58 0.00 0.00 42.46 40.84 1u57 s ILE 47 CO 0.00 0.17 1.88 0.52 -1.23 0.00 0.00 174.94 176.28