#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 0.61 0.00 3.23 0.00 -1.26 -4.81 120.64 118.41 1u57 n GLU 2 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 57.16 57.43 1u57 n GLU 2 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 31.44 29.04 1u57 n GLU 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1u57 n GLU 3 N -2.35 0.57 -0.09 3.44 0.28 -1.26 -2.36 120.64 118.88 1u57 n GLU 3 Ca 0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.01 1u57 n GLU 3 Cb 0.49 -1.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.30 1u57 n GLU 3 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1u57 n MET 4 N -0.49 0.51 -0.08 3.44 2.81 -1.26 -3.48 117.12 118.56 1u57 n MET 4 Ca 0.00 0.52 0.03 0.00 -1.81 0.00 0.00 57.70 56.44 1u57 n MET 4 Cb 0.00 -1.69 0.36 0.00 -0.71 0.00 0.00 33.22 31.17 1u57 n MET 4 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1u57 h MET 5 N -1.00 0.71 -0.67 0.03 4.05 -1.78 -0.49 114.93 115.78 1u57 h MET 5 Ca -0.18 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.12 1u57 h MET 5 Cb 0.91 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 1u57 h MET 5 CO -0.11 0.47 0.10 1.15 0.23 0.00 0.00 176.91 178.76 1u57 h THR 6 N 0.73 1.26 0.65 -0.77 2.02 -1.69 -1.79 112.91 113.32 1u57 h THR 6 Ca 0.20 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1u57 h THR 6 Cb -0.08 0.64 0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1u57 h THR 6 CO -0.04 0.40 -0.31 0.00 0.37 0.00 0.00 175.52 175.93 1u57 h ALA 7 N 1.05 -0.87 -0.45 6.16 0.00 -1.38 -3.28 119.26 120.49 1u57 h ALA 7 Ca 0.20 -0.19 -0.55 0.00 0.00 0.00 0.00 54.91 54.38 1u57 h ALA 7 Cb 0.45 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 1u57 h ALA 7 CO 0.01 -0.81 1.18 0.00 0.00 0.00 0.00 179.25 179.64 1u57 s GLN 9 N -0.87 0.68 0.00 0.00 -2.07 -0.68 -4.54 119.66 112.18 1u57 s GLN 9 Ca 0.59 0.28 0.00 0.00 -1.82 0.00 0.00 55.36 54.42 1u57 s GLN 9 Cb 0.30 -1.79 0.00 0.00 -1.09 0.00 0.00 33.01 30.43 1u57 s GLN 9 CO -0.14 -2.51 0.00 0.41 -1.32 0.00 0.00 175.29 171.73 1u57 n GLY 10 N -1.85 1.10 4.17 2.60 0.00 -1.26 -3.88 105.19 106.08 1u57 n GLY 10 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1u57 n GLY 10 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1u57 n VAL 11 N 0.00 -0.20 0.00 1.61 3.14 -1.26 -1.72 118.33 119.90 1u57 n VAL 11 Ca 0.00 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 1u57 n VAL 11 Cb 0.00 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.24 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 -1.32 2.32 0.00 7.55 0.00 -1.26 -5.10 105.19 107.38 1u57 n GLY 12 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 1.56 0.06 -0.02 0.00 -0.70 -5.09 105.19 101.01 1u57 n GLY 13 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -0.69 1.61 0.13 -1.77 -3.24 132.00 128.05 1u57 h PRO 14 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.28 1u57 h PRO 14 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1u57 h PRO 14 CO 0.00 0.60 0.06 0.78 -0.23 0.00 0.00 178.00 179.22 1u57 h GLY 15 N -1.00 0.83 2.00 1.56 0.00 -1.89 0.10 103.07 104.67 1u57 h GLY 15 Ca -0.00 0.05 -0.16 0.00 0.00 0.00 0.00 47.33 47.21 1u57 h GLY 15 CO -0.00 -0.22 -0.76 1.12 0.00 0.00 0.00 176.54 176.68 1u57 h HIS 16 N 0.16 0.00 0.00 5.60 2.07 -1.97 -2.48 115.15 118.54 1u57 h HIS 16 Ca 0.38 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.84 1u57 h HIS 16 Cb 0.64 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.61 1u57 h HIS 16 CO -0.34 0.76 -0.26 -0.22 -3.07 0.00 0.00 177.93 174.79 1u57 h LYS 17 N 0.00 0.00 -0.32 5.12 3.64 -0.92 0.23 116.57 124.33 1u57 h LYS 17 Ca -0.01 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1u57 h LYS 17 Cb 1.38 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1u57 h LYS 17 CO 0.10 0.26 -0.48 0.00 -2.27 0.00 0.00 179.45 177.06 1u57 h ALA 18 N 1.74 0.53 -0.32 5.00 0.00 -0.79 -0.63 119.26 124.79 1u57 h ALA 18 Ca -0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1u57 h ALA 18 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1u57 h ALA 18 CO 0.03 0.68 -0.31 -0.09 0.00 0.00 0.00 179.25 179.57 1u57 h ARG 19 N 0.69 0.78 -0.24 0.00 9.65 -0.87 -1.15 114.38 123.24 1u57 h ARG 19 Ca 0.03 -0.40 -0.17 0.00 -1.10 0.00 0.00 59.98 58.34 1u57 h ARG 19 Cb 1.08 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.67 1u57 h ARG 19 CO 0.11 1.03 -0.53 -0.24 2.80 0.00 0.00 179.97 183.14 1u57 h VAL 20 N 0.55 1.30 0.22 0.20 3.04 -0.58 -1.38 116.25 119.60 1u57 h VAL 20 Ca 0.05 -1.75 -0.01 0.00 -1.01 0.00 0.00 66.70 63.98 1u57 h VAL 20 Cb 0.88 1.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 1u57 h VAL 20 CO 0.08 0.56 -0.11 0.25 -1.01 0.00 0.00 177.57 177.33 1u57 h LEU 21 N 0.53 -0.25 -1.22 3.16 5.85 -1.13 -2.20 115.31 120.05 1u57 h LEU 21 Ca 0.02 -0.19 0.21 0.00 0.84 0.00 0.00 57.88 58.75 1u57 h LEU 21 Cb 1.10 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 1u57 h LEU 21 CO 0.11 0.06 0.62 0.00 -0.34 0.00 0.00 178.44 178.89 1u57 h ALA 22 N 0.10 1.93 -0.05 1.25 0.00 -1.06 0.28 119.26 121.71 1u57 h ALA 22 Ca -0.03 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1u57 h ALA 22 Cb 0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1u57 h ALA 22 CO 0.05 -0.29 0.02 1.49 0.00 0.00 0.00 179.25 180.52 1u57 h GLU 23 N 0.59 0.07 -0.31 0.00 4.81 -1.16 -2.13 114.58 116.45 1u57 h GLU 23 Ca 0.55 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.66 1u57 h GLU 23 Cb 1.10 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1u57 h GLU 23 CO -0.31 0.19 -0.26 0.00 -0.73 0.00 0.00 179.01 177.89 1u57 h ALA 24 N 0.88 0.97 -0.00 2.92 0.00 -0.27 -0.26 119.26 123.49 1u57 h ALA 24 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1u57 h ALA 24 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1u57 h ALA 24 CO -0.00 0.60 0.00 -1.33 0.00 0.00 0.00 179.25 178.52 1u57 n MET 25 N -4.10 1.03 0.00 0.00 2.81 0.76 -0.46 117.12 117.16 1u57 n MET 25 Ca -0.00 -0.05 0.02 0.00 -1.81 0.00 0.00 57.70 55.86 1u57 n MET 25 Cb 0.44 -1.45 -0.01 0.00 -0.71 0.00 0.00 33.22 31.48 1u57 n MET 25 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1u57 n SER 26 N -0.89 0.51 -0.13 7.83 3.41 -0.77 -4.39 113.62 119.19 1u57 n SER 26 Ca 0.21 -0.75 -0.26 0.00 -0.26 0.00 0.00 58.87 57.81 1u57 n SER 26 Cb 0.11 0.76 -0.10 0.00 -0.26 0.00 0.00 64.21 64.73 1u57 n SER 26 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1u57 n GLN 27 N -0.77 0.57 0.03 4.33 7.27 -0.18 -3.98 117.38 124.64 1u57 n GLN 27 Ca 0.01 0.22 -0.13 0.00 0.07 0.00 0.00 57.00 57.18 1u57 n GLN 27 Cb 0.09 -1.44 -0.09 0.00 2.41 0.00 0.00 30.24 31.20 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 -0.76 1.17 -0.29 1.69 2.07 -1.02 -0.96 116.25 118.14 1u57 h VAL 28 Ca -0.64 -0.94 0.08 0.00 0.82 0.00 0.00 66.70 66.02 1u57 h VAL 28 Cb 1.64 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 1u57 h VAL 28 CO -0.34 0.23 0.22 0.74 0.02 0.00 0.00 177.57 178.43 1u57 h THR 29 N -0.54 0.80 -0.00 2.57 2.02 -1.77 0.17 112.91 116.16 1u57 h THR 29 Ca -0.01 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.97 1u57 h THR 29 Cb 0.46 0.85 0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1u57 h THR 29 CO 0.02 0.00 -0.77 -1.13 0.37 0.00 0.00 175.52 174.01 1u57 h ASN 30 N 0.00 0.68 -0.66 4.18 -0.00 -1.61 0.15 115.58 118.32 1u57 h ASN 30 Ca 0.14 -0.75 0.04 0.00 -0.00 0.00 0.00 56.30 55.72 1u57 h ASN 30 Cb 0.57 -0.21 -0.04 0.00 -0.00 0.00 0.00 38.32 38.64 1u57 h ASN 30 CO -0.00 1.34 0.44 -1.28 -0.00 0.00 0.00 177.43 177.93 1u57 h SER 31 N 0.09 0.67 1.57 1.15 0.87 -0.12 -0.21 113.55 117.56 1u57 h SER 31 Ca -0.10 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 1u57 h SER 31 Cb 1.46 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 1u57 h SER 31 CO 0.15 0.46 -0.43 0.00 -0.53 0.00 0.00 176.83 176.48 1u57 h ALA 32 N 1.62 0.76 -0.11 6.23 0.00 -0.96 -2.96 119.26 123.84 1u57 h ALA 32 Ca 0.26 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1u57 h ALA 32 Cb 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1u57 h ALA 32 CO -0.07 0.43 -0.30 0.00 0.00 0.00 0.00 179.25 179.31 1u57 h THR 33 N 0.00 1.26 -0.51 0.00 1.03 0.91 0.78 112.91 116.38 1u57 h THR 33 Ca -0.01 -1.21 -0.09 0.00 -0.01 0.00 0.00 66.41 65.08 1u57 h THR 33 Cb 1.27 1.50 -0.02 0.00 -1.07 0.00 0.00 68.15 69.83 1u57 h THR 33 CO 0.04 0.36 -0.06 0.40 -0.01 0.00 0.00 175.52 176.26 1u57 h ILE 34 N 0.19 1.26 -0.00 0.00 2.04 -1.02 -0.46 117.51 119.52 1u57 h ILE 34 Ca 0.03 -1.15 -0.16 0.00 1.00 0.00 0.00 64.86 64.58 1u57 h ILE 34 Cb 0.63 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1u57 h ILE 34 CO 0.05 0.41 -0.74 0.00 0.00 0.00 0.00 178.15 177.86 1u57 h MET 35 N 0.82 0.02 -0.21 2.37 -0.00 -1.20 0.38 114.93 117.12 1u57 h MET 35 Ca 0.14 -0.02 -0.18 0.00 -0.00 0.00 0.00 59.70 59.64 1u57 h MET 35 Cb 0.57 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.17 1u57 h MET 35 CO 0.03 0.75 -0.61 0.00 -0.00 0.00 0.00 176.91 177.09 1u57 h MET 36 N 0.01 0.70 -0.72 -0.10 -0.00 -0.74 -3.01 114.93 111.08 1u57 h MET 36 Ca -0.01 -0.48 -0.07 0.00 -0.00 0.00 0.00 59.70 59.14 1u57 h MET 36 Cb 1.31 0.07 -0.03 0.00 -0.00 0.00 0.00 31.60 32.95 1u57 h MET 36 CO 0.10 1.10 0.19 0.37 -0.00 0.00 0.00 176.91 178.67 1u57 h GLN 37 N 0.52 1.14 -2.07 -0.10 4.15 -0.99 0.17 115.11 117.93 1u57 h GLN 37 Ca -0.01 -0.27 -0.17 0.00 0.77 0.00 0.00 58.65 58.98 1u57 h GLN 37 Cb 1.20 -0.15 -0.06 0.00 0.21 0.00 0.00 27.48 28.67 1u57 h GLN 37 CO 0.12 0.99 -0.31 0.54 -1.93 0.00 0.00 178.83 178.24 1u57 n ARG 38 N -4.24 1.82 0.09 1.69 3.00 0.11 -2.97 116.66 116.15 1u57 n ARG 38 Ca 0.05 -0.89 0.00 0.00 -0.01 0.00 0.00 57.85 57.00 1u57 n ARG 38 Cb 0.25 -1.92 0.00 0.00 0.00 0.00 0.00 32.46 30.79 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 2.49 -1.39 2.38 -0.13 0.00 -1.18 -4.91 105.19 102.45 1u57 n GLY 39 Ca 0.38 0.44 -0.36 0.00 0.00 0.00 0.00 46.02 46.48 1u57 n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u57 n ASN 40 N -3.04 7.99 0.02 1.61 2.85 0.04 -2.18 115.26 122.54 1u57 n ASN 40 Ca 0.00 -2.53 0.00 0.00 -0.11 0.00 0.00 54.58 51.94 1u57 n ASN 40 Cb 0.00 -1.48 0.00 0.00 1.24 0.00 0.00 39.78 39.54 1u57 n ASN 40 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1u57 n PHE 41 N 3.76 -1.25 0.26 1.20 -0.00 -1.20 -4.73 117.46 115.49 1u57 n PHE 41 Ca 0.72 0.11 -0.16 0.00 -0.00 0.00 0.00 57.45 58.12 1u57 n PHE 41 Cb 0.22 0.46 -0.08 0.00 -0.00 0.00 0.00 39.48 40.08 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 -0.66 -0.21 -4.13 9.65 -1.73 0.88 114.38 118.19 1u57 h ARG 42 Ca 0.00 0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 1u57 h ARG 42 Cb 0.00 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 1u57 h ARG 42 CO 0.00 -0.44 0.03 -0.97 2.80 0.00 0.00 179.97 181.39 1u57 h ASN 43 N -0.68 0.33 -0.92 -3.80 -0.73 -1.82 -3.20 115.58 104.76 1u57 h ASN 43 Ca -0.05 -0.27 0.03 0.00 1.87 0.00 0.00 56.30 57.88 1u57 h ASN 43 Cb 0.56 -0.09 -0.05 0.00 0.27 0.00 0.00 38.32 39.01 1u57 h ASN 43 CO 0.05 0.52 0.60 1.56 -0.37 0.00 0.00 177.43 179.79 1u57 h GLN 44 N 0.14 1.15 -2.32 6.67 4.20 -1.73 -3.47 115.11 119.75 1u57 h GLN 44 Ca 0.06 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1u57 h GLN 44 Cb 0.33 -0.26 0.02 0.00 0.30 0.00 0.00 27.48 27.87 1u57 h GLN 44 CO 0.01 0.76 -0.09 0.54 -0.67 0.00 0.00 178.83 179.38 1u57 n ARG 45 N -4.48 -0.79 -1.64 1.46 1.74 0.22 -4.98 116.66 108.19 1u57 n ARG 45 Ca 0.12 0.10 -0.33 0.00 -0.77 0.00 0.00 57.85 56.96 1u57 n ARG 45 Cb 0.07 -2.89 0.00 0.00 -1.02 0.00 0.00 32.46 28.62 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 -1.32 2.55 -0.28 5.56 4.81 -0.68 -4.68 118.16 124.12 1u57 n LYS 46 Ca -0.03 -2.92 0.21 0.00 -0.87 0.00 0.00 58.31 54.70 1u57 n LYS 46 Cb 0.52 -2.18 0.50 0.00 0.02 0.00 0.00 35.03 33.89 1u57 n LYS 46 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1u57 h ILE 47 N 1.86 0.61 0.00 3.15 6.09 -1.94 -3.49 117.51 123.80 1u57 h ILE 47 Ca 0.49 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.83 1u57 h ILE 47 Cb 0.42 0.16 0.00 0.00 0.47 0.00 0.00 36.82 37.87 1u57 h ILE 47 CO 1.19 0.08 0.00 1.33 -3.07 0.00 0.00 178.15 177.67