#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 3.12 0.00 3.23 0.00 -1.26 -4.90 120.64 120.83 1u57 n GLU 2 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 57.16 55.25 1u57 n GLU 2 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 31.44 28.79 1u57 n GLU 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1u57 n GLU 3 N 3.72 0.00 0.00 3.44 1.02 -1.26 -4.88 120.64 122.68 1u57 n GLU 3 Ca 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 1u57 n GLU 3 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 1u57 n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u57 n MET 4 N 0.00 0.00 -0.27 3.49 0.00 -1.26 -4.28 117.12 114.80 1u57 n MET 4 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.71 1u57 n MET 4 Cb 0.00 -0.59 0.21 0.00 0.00 0.00 0.00 33.22 32.85 1u57 n MET 4 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1u57 h MET 5 N 0.00 1.07 -0.30 3.17 2.86 -1.90 -0.87 114.93 118.96 1u57 h MET 5 Ca 0.00 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.43 1u57 h MET 5 Cb 0.99 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1u57 h MET 5 CO 0.00 0.71 -0.39 1.15 1.06 0.00 0.00 176.91 179.44 1u57 h THR 6 N 1.10 1.29 -0.37 2.22 2.02 -1.97 -2.44 112.91 114.76 1u57 h THR 6 Ca 0.32 -1.56 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 1u57 h THR 6 Cb -0.07 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1u57 h THR 6 CO -0.08 0.50 0.18 0.00 0.37 0.00 0.00 175.52 176.49 1u57 h ALA 7 N 0.98 0.47 -1.34 6.16 0.00 -1.49 -3.01 119.26 121.03 1u57 h ALA 7 Ca 0.05 -0.10 -0.76 0.00 0.00 0.00 0.00 54.91 54.10 1u57 h ALA 7 Cb 0.92 -0.15 -0.30 0.00 0.00 0.00 0.00 17.79 18.27 1u57 h ALA 7 CO 0.08 0.04 0.72 0.00 0.00 0.00 0.00 179.25 180.08 1u57 n GLN 9 N -0.23 2.46 -2.42 0.00 0.00 -0.92 -2.49 117.38 113.78 1u57 n GLN 9 Ca 0.46 0.90 -0.07 0.00 0.00 0.00 0.00 57.00 58.29 1u57 n GLN 9 Cb 0.29 -2.75 0.03 0.00 0.00 0.00 0.00 30.24 27.81 1u57 n GLN 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1u57 n GLY 10 N 4.15 -0.31 0.22 2.61 0.00 -1.26 -4.96 105.19 105.64 1u57 n GLY 10 Ca 0.20 0.18 -0.04 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.43 1.30 0.00 1.61 3.04 -1.83 -3.47 116.25 116.47 1u57 h VAL 11 Ca -0.27 -1.48 0.00 0.00 -1.01 0.00 0.00 66.70 63.94 1u57 h VAL 11 Cb 1.14 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1u57 h VAL 11 CO 0.22 0.46 0.00 0.61 -1.01 0.00 0.00 177.57 177.85 1u57 n GLY 12 N -0.16 -2.28 0.05 3.17 0.00 -1.26 -5.18 105.19 99.52 1u57 n GLY 12 Ca -0.01 0.75 0.01 0.00 0.00 0.00 0.00 46.02 46.76 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 -1.00 -2.35 0.00 -0.02 0.00 -1.26 -4.82 105.19 95.75 1u57 n GLY 13 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1u57 n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u57 n PRO 14 N -2.29 0.00 0.00 1.61 -0.04 -1.26 -4.85 135.00 128.17 1u57 n PRO 14 Ca -0.00 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1u57 n PRO 14 Cb 0.02 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1u57 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u57 n GLY 15 N -0.30 1.10 0.03 0.55 0.00 -1.26 -2.82 105.19 102.49 1u57 n GLY 15 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1u57 n GLY 15 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1u57 n HIS 16 N 0.00 0.00 0.30 1.61 -0.00 -1.26 -4.27 115.22 111.59 1u57 n HIS 16 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.88 1u57 n HIS 16 Cb 0.00 -0.25 0.92 0.00 -0.00 0.00 0.00 29.99 30.66 1u57 n HIS 16 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1u57 h LYS 17 N 0.00 0.00 -0.38 1.57 1.79 -1.87 0.12 116.57 117.80 1u57 h LYS 17 Ca -0.14 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.17 1u57 h LYS 17 Cb 1.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 1u57 h LYS 17 CO -0.01 0.04 -0.37 0.00 -1.08 0.00 0.00 179.45 178.03 1u57 h ALA 18 N 1.96 0.55 -0.33 3.86 0.00 -1.79 -0.31 119.26 123.20 1u57 h ALA 18 Ca -0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1u57 h ALA 18 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1u57 h ALA 18 CO 0.00 0.65 -0.11 -0.09 0.00 0.00 0.00 179.25 179.70 1u57 h ARG 19 N 0.73 0.65 -0.62 0.00 2.43 -1.07 -0.68 114.38 115.82 1u57 h ARG 19 Ca 0.06 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 1u57 h ARG 19 Cb 0.96 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1u57 h ARG 19 CO 0.09 0.85 0.29 0.28 -1.51 0.00 0.00 179.97 179.97 1u57 h VAL 20 N 0.43 1.22 0.89 0.20 2.07 -0.87 -0.09 116.25 120.09 1u57 h VAL 20 Ca 0.08 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1u57 h VAL 20 Cb 0.63 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1u57 h VAL 20 CO 0.04 0.25 -0.43 0.25 0.02 0.00 0.00 177.57 177.71 1u57 h LEU 21 N 0.85 -1.01 -1.19 2.57 5.85 -1.01 -1.79 115.31 119.59 1u57 h LEU 21 Ca 0.21 0.03 0.27 0.00 0.84 0.00 0.00 57.88 59.24 1u57 h LEU 21 Cb 0.13 0.26 -0.11 0.00 0.37 0.00 0.00 40.66 41.31 1u57 h LEU 21 CO -0.03 -0.72 0.64 0.00 -0.34 0.00 0.00 178.44 178.00 1u57 h ALA 22 N -1.06 2.06 -0.26 1.25 0.00 -0.75 0.43 119.26 120.93 1u57 h ALA 22 Ca -0.12 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1u57 h ALA 22 Cb 0.91 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1u57 h ALA 22 CO 0.20 -0.53 0.04 1.49 0.00 0.00 0.00 179.25 180.45 1u57 h GLU 23 N 0.44 0.43 -0.05 0.00 4.57 -0.88 -3.18 114.58 115.92 1u57 h GLU 23 Ca 0.64 -0.12 -0.19 0.00 -1.18 0.00 0.00 59.36 58.52 1u57 h GLU 23 Cb 1.48 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.01 1u57 h GLU 23 CO -0.41 0.56 -0.77 0.00 -1.18 0.00 0.00 179.01 177.21 1u57 h ALA 24 N 0.86 0.58 -0.15 2.92 0.00 0.58 -1.56 119.26 122.49 1u57 h ALA 24 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1u57 h ALA 24 Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1u57 h ALA 24 CO 0.01 0.79 0.00 0.00 0.00 0.00 0.00 179.25 180.05 1u57 n MET 25 N -3.80 1.52 -0.03 0.00 0.00 0.68 -0.80 117.12 114.69 1u57 n MET 25 Ca -0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 57.70 57.01 1u57 n MET 25 Cb 0.73 -1.30 -0.03 0.00 0.00 0.00 0.00 33.22 32.62 1u57 n MET 25 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1u57 n SER 26 N 0.02 3.57 -0.04 3.17 7.64 -1.12 -4.53 113.62 122.33 1u57 n SER 26 Ca 0.06 -0.02 -0.15 0.00 1.01 0.00 0.00 58.87 59.76 1u57 n SER 26 Cb 0.24 0.10 -0.13 0.00 -1.01 0.00 0.00 64.21 63.41 1u57 n SER 26 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1u57 h GLN 27 N 0.00 0.06 -0.14 1.43 4.15 -1.04 -2.18 115.11 117.38 1u57 h GLN 27 Ca -0.14 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 1u57 h GLN 27 Cb 1.25 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 1u57 h GLN 27 CO -0.01 0.96 0.02 0.28 -1.93 0.00 0.00 178.83 178.14 1u57 h VAL 28 N -0.80 1.22 -0.81 2.39 2.07 -1.24 -0.40 116.25 118.69 1u57 h VAL 28 Ca -0.02 -0.72 0.11 0.00 0.82 0.00 0.00 66.70 66.90 1u57 h VAL 28 Cb 1.01 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 1u57 h VAL 28 CO 0.02 0.21 0.53 0.74 0.02 0.00 0.00 177.57 179.09 1u57 h THR 29 N 0.02 0.90 -0.14 2.57 2.02 -1.74 0.49 112.91 117.02 1u57 h THR 29 Ca 0.04 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1u57 h THR 29 Cb 0.31 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1u57 h THR 29 CO 0.00 0.12 -0.16 -1.13 0.37 0.00 0.00 175.52 174.73 1u57 h ASN 30 N 0.68 0.37 -0.31 4.18 -1.24 -0.83 0.46 115.58 118.89 1u57 h ASN 30 Ca 0.38 -0.50 0.04 0.00 0.71 0.00 0.00 56.30 56.94 1u57 h ASN 30 Cb 0.56 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 1u57 h ASN 30 CO -0.15 0.79 0.21 0.28 -1.29 0.00 0.00 177.43 177.27 1u57 h SER 31 N -0.04 0.21 1.19 1.15 0.02 -0.16 0.15 113.55 116.06 1u57 h SER 31 Ca 0.02 -0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 1u57 h SER 31 Cb 0.70 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1u57 h SER 31 CO 0.04 0.14 -0.83 0.00 -1.14 0.00 0.00 176.83 175.04 1u57 h ALA 32 N 1.83 0.54 -0.07 3.77 0.00 -0.83 -3.16 119.26 121.35 1u57 h ALA 32 Ca 0.13 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1u57 h ALA 32 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u57 h ALA 32 CO -0.03 0.95 -0.29 0.00 0.00 0.00 0.00 179.25 179.88 1u57 h THR 33 N 0.00 1.24 -0.33 0.00 1.03 0.15 -0.45 112.91 114.55 1u57 h THR 33 Ca -0.03 -1.13 -0.03 0.00 -0.01 0.00 0.00 66.41 65.21 1u57 h THR 33 Cb 1.59 1.52 -0.02 0.00 -1.07 0.00 0.00 68.15 70.17 1u57 h THR 33 CO 0.09 0.33 0.10 0.40 -0.01 0.00 0.00 175.52 176.43 1u57 h ILE 34 N 0.11 1.15 -0.10 0.00 1.08 -0.93 0.27 117.51 119.09 1u57 h ILE 34 Ca 0.02 -0.51 -0.10 0.00 -0.39 0.00 0.00 64.86 63.88 1u57 h ILE 34 Cb 0.58 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1u57 h ILE 34 CO 0.04 0.19 -0.32 0.24 -0.69 0.00 0.00 178.15 177.61 1u57 h MET 35 N 0.47 0.39 -0.32 2.37 2.86 -1.24 0.59 114.93 120.05 1u57 h MET 35 Ca 0.11 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.38 1u57 h MET 35 Cb 0.16 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1u57 h MET 35 CO -0.01 0.91 -0.15 0.00 1.06 0.00 0.00 176.91 178.73 1u57 h MET 36 N -0.06 0.57 -0.44 1.72 -0.00 -0.89 -1.99 114.93 113.85 1u57 h MET 36 Ca -0.01 -0.18 -0.14 0.00 -0.00 0.00 0.00 59.70 59.36 1u57 h MET 36 Cb 0.94 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 32.48 1u57 h MET 36 CO 0.07 0.70 -0.29 0.37 -0.00 0.00 0.00 176.91 177.76 1u57 h GLN 37 N 0.52 0.96 -5.70 -0.10 4.15 -0.97 -3.34 115.11 110.64 1u57 h GLN 37 Ca 0.09 -0.45 -0.47 0.00 0.77 0.00 0.00 58.65 58.59 1u57 h GLN 37 Cb 0.56 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1u57 h GLN 37 CO 0.04 1.12 1.57 0.50 -1.93 0.00 0.00 178.83 180.13 1u57 s ARG 38 N -4.54 2.21 0.00 1.69 6.06 0.20 -0.85 118.95 123.71 1u57 s ARG 38 Ca -0.11 1.25 0.00 0.00 -2.50 0.00 0.00 55.73 54.37 1u57 s ARG 38 Cb 0.12 -4.54 0.00 0.00 0.06 0.00 0.00 34.95 30.59 1u57 s ARG 38 CO 0.88 -3.16 0.00 0.41 -2.50 0.00 0.00 175.30 170.93 1u57 n GLY 39 N 5.94 2.92 2.31 8.12 0.00 -1.26 -4.90 105.19 118.32 1u57 n GLY 39 Ca 0.33 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 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 8.40 0.04 1.61 3.02 -0.03 -1.64 115.26 126.66 1u57 n ASN 40 Ca 0.00 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 1u57 n ASN 40 Cb 0.00 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.65 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 3.22 -2.13 -0.06 3.10 7.35 -1.03 -4.70 117.46 123.21 1u57 n PHE 41 Ca 0.74 0.28 -0.11 0.00 -0.76 0.00 0.00 57.45 57.60 1u57 n PHE 41 Cb 0.29 0.97 -0.05 0.00 0.35 0.00 0.00 39.48 41.04 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 0.30 -0.37 -4.13 9.65 -1.76 -2.89 114.38 115.17 1u57 h ARG 42 Ca 0.00 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1u57 h ARG 42 Cb 0.00 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 1u57 h ARG 42 CO 0.00 0.42 0.21 -0.97 2.80 0.00 0.00 179.97 182.43 1u57 h ASN 43 N 0.13 0.46 -2.90 -3.80 -0.73 -1.66 -3.45 115.58 103.64 1u57 h ASN 43 Ca 0.06 -0.08 -0.32 0.00 1.87 0.00 0.00 56.30 57.83 1u57 h ASN 43 Cb 0.24 -0.12 0.17 0.00 0.27 0.00 0.00 38.32 38.88 1u57 h ASN 43 CO -0.00 0.41 0.02 0.00 -0.37 0.00 0.00 177.43 177.49 1u57 n GLN 44 N -4.76 -3.27 -3.81 6.67 1.13 -1.09 -4.41 117.38 107.85 1u57 n GLN 44 Ca -0.00 -1.37 -0.24 0.00 -1.94 0.00 0.00 57.00 53.45 1u57 n GLN 44 Cb 0.07 -1.41 0.01 0.00 0.11 0.00 0.00 30.24 29.02 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 -4.53 -3.89 0.00 -1.09 1.74 -1.26 -4.82 116.66 102.81 1u57 n ARG 45 Ca 0.12 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 1u57 n ARG 45 Cb 0.49 -4.82 0.00 0.00 -1.02 0.00 0.00 32.46 27.11 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 -4.31 0.00 -1.65 5.56 3.00 -1.26 -4.84 118.16 114.66 1u57 n LYS 46 Ca -0.29 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.62 1u57 n LYS 46 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.69 1u57 n LYS 46 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1u57 n ILE 47 N 0.00 4.26 -1.21 3.15 5.41 -1.26 -5.25 119.36 124.46 1u57 n ILE 47 Ca 0.00 -3.19 0.00 0.00 1.00 0.00 0.00 62.75 60.56 1u57 n ILE 47 Cb 0.00 -2.50 0.00 0.00 -0.71 0.00 0.00 39.64 36.43 1u57 n ILE 47 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07