#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 -1.61 0.00 3.23 1.03 -1.26 -4.88 118.70 115.21 1u57 s GLU 2 Ca 0.00 0.21 0.00 0.00 0.03 0.00 0.00 54.97 55.21 1u57 s GLU 2 Cb 0.00 -1.53 0.00 0.00 -0.80 0.00 0.00 34.13 31.80 1u57 s GLU 2 CO 0.00 -4.03 0.40 -0.85 -1.33 0.00 0.00 175.26 169.45 1u57 n GLU 3 N -5.04 0.42 -0.05 -4.83 0.28 -1.26 -2.77 120.64 107.41 1u57 n GLU 3 Ca 0.10 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.00 1u57 n GLU 3 Cb 0.59 -1.03 0.04 0.00 1.43 0.00 0.00 31.44 32.47 1u57 n GLU 3 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 1u57 h MET 4 N 0.08 0.72 0.00 3.44 4.05 -1.98 -0.30 114.93 120.94 1u57 h MET 4 Ca 0.00 -0.39 -0.02 0.00 -0.28 0.00 0.00 59.70 59.00 1u57 h MET 4 Cb 0.03 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1u57 h MET 4 CO 0.00 1.01 -0.11 0.00 0.23 0.00 0.00 176.91 178.04 1u57 h MET 5 N 0.58 0.00 0.17 0.39 -0.00 -1.87 -2.62 114.93 111.58 1u57 h MET 5 Ca 0.04 0.00 -0.35 0.00 -0.00 0.00 0.00 59.70 59.38 1u57 h MET 5 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.60 1u57 h MET 5 CO 0.09 0.11 -1.80 1.15 -0.00 0.00 0.00 176.91 176.47 1u57 h THR 6 N 0.00 0.88 -0.01 -0.10 2.02 -1.70 -3.38 112.91 110.62 1u57 h THR 6 Ca -0.00 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.69 1u57 h THR 6 Cb 0.35 2.72 -0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1u57 h THR 6 CO 0.01 0.87 0.12 0.00 0.37 0.00 0.00 175.52 176.89 1u57 h ALA 7 N 0.12 1.16 -3.00 6.16 0.00 -0.68 -3.39 119.26 119.63 1u57 h ALA 7 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1u57 h ALA 7 Cb 2.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1u57 h ALA 7 CO 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1u57 n GLN 9 N 0.00 0.00 0.00 0.00 0.00 -1.26 -3.42 117.38 112.69 1u57 n GLN 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1u57 n GLN 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 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 0.00 3.16 0.07 2.61 0.00 -1.26 -4.79 105.19 104.98 1u57 n GLY 10 Ca 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 1.67 -0.31 1.61 3.04 -1.85 -3.40 116.25 117.01 1u57 h VAL 11 Ca 0.00 -3.20 -0.25 0.00 -1.01 0.00 0.00 66.70 62.24 1u57 h VAL 11 Cb 0.00 2.73 -0.24 0.00 -2.01 0.00 0.00 31.29 31.77 1u57 h VAL 11 CO 0.00 0.91 -0.64 0.61 -1.01 0.00 0.00 177.57 177.45 1u57 n GLY 12 N 1.16 1.55 2.79 3.17 0.00 -1.26 -4.98 105.19 107.62 1u57 n GLY 12 Ca -0.00 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.62 0.44 0.41 -0.02 0.00 -1.26 -4.60 105.19 99.54 1u57 n GLY 13 Ca -0.01 -1.97 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.81 -1.00 1.61 0.13 -1.98 -0.18 132.00 129.77 1u57 h PRO 14 Ca -0.25 0.06 0.28 0.00 -0.87 0.00 0.00 66.00 65.22 1u57 h PRO 14 Cb 0.88 0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 1u57 h PRO 14 CO 0.25 -0.54 0.71 0.78 -0.23 0.00 0.00 178.00 178.97 1u57 h GLY 15 N -0.84 0.15 1.31 1.56 0.00 -1.96 -0.26 103.07 103.02 1u57 h GLY 15 Ca -0.04 -0.03 -0.32 0.00 0.00 0.00 0.00 47.33 46.94 1u57 h GLY 15 CO -0.02 -0.01 -1.47 0.84 0.00 0.00 0.00 176.54 175.87 1u57 h HIS 16 N 0.06 0.72 -0.66 5.60 6.17 -1.66 -0.77 115.15 124.61 1u57 h HIS 16 Ca 0.48 -0.52 -0.00 0.00 0.71 0.00 0.00 60.37 61.04 1u57 h HIS 16 Cb 1.83 -0.03 -0.03 0.00 2.52 0.00 0.00 27.41 31.70 1u57 h HIS 16 CO -0.00 1.47 0.41 -0.22 0.71 0.00 0.00 177.93 180.30 1u57 h LYS 17 N 0.11 0.89 -0.18 5.26 1.63 0.37 0.67 116.57 125.30 1u57 h LYS 17 Ca -0.24 -0.07 -0.14 0.00 -0.85 0.00 0.00 60.65 59.36 1u57 h LYS 17 Cb 2.08 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 33.51 1u57 h LYS 17 CO 0.22 0.61 -0.47 0.00 -3.45 0.00 0.00 179.45 176.36 1u57 h ALA 18 N 1.55 0.84 -0.43 5.00 0.00 -1.12 -0.92 119.26 124.17 1u57 h ALA 18 Ca 0.24 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1u57 h ALA 18 Cb -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1u57 h ALA 18 CO -0.05 0.66 -0.14 -0.09 0.00 0.00 0.00 179.25 179.63 1u57 h ARG 19 N 0.38 0.86 -0.45 0.00 2.43 0.03 -0.09 114.38 117.54 1u57 h ARG 19 Ca 0.02 -0.34 -0.12 0.00 -0.81 0.00 0.00 59.98 58.73 1u57 h ARG 19 Cb 0.98 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1u57 h ARG 19 CO 0.09 0.98 -0.17 0.28 -1.51 0.00 0.00 179.97 179.63 1u57 h VAL 20 N 0.68 1.27 0.23 0.20 2.07 -0.87 -1.84 116.25 118.00 1u57 h VAL 20 Ca 0.10 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1u57 h VAL 20 Cb 0.69 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1u57 h VAL 20 CO 0.05 0.45 -0.11 0.25 0.02 0.00 0.00 177.57 178.23 1u57 h LEU 21 N 0.76 -0.27 -1.25 2.57 5.85 -1.10 -1.98 115.31 119.90 1u57 h LEU 21 Ca 0.11 -0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.97 1u57 h LEU 21 Cb 0.74 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 1u57 h LEU 21 CO 0.06 -0.14 0.60 0.00 -0.34 0.00 0.00 178.44 178.63 1u57 h ALA 22 N 0.38 1.90 -0.19 1.25 0.00 -0.85 0.35 119.26 122.09 1u57 h ALA 22 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1u57 h ALA 22 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1u57 h ALA 22 CO 0.05 -0.20 0.08 1.49 0.00 0.00 0.00 179.25 180.67 1u57 h GLU 23 N 0.63 0.29 -0.15 0.00 4.81 -1.12 -2.53 114.58 116.51 1u57 h GLU 23 Ca 0.51 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.54 1u57 h GLU 23 Cb 0.95 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1u57 h GLU 23 CO -0.26 0.35 -0.52 0.00 -0.73 0.00 0.00 179.01 177.85 1u57 h ALA 24 N 0.92 0.83 0.00 2.92 0.00 -0.17 -1.23 119.26 122.53 1u57 h ALA 24 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1u57 h ALA 24 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 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 -3.96 0.91 -0.08 0.00 2.81 0.10 -0.49 117.12 116.42 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 0.57 -1.29 -0.09 0.00 -0.71 0.00 0.00 33.22 31.70 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 -0.79 2.16 0.01 7.83 2.88 -0.81 -4.41 113.62 120.50 1u57 n SER 26 Ca 0.13 -0.05 -0.20 0.00 -1.33 0.00 0.00 58.87 57.41 1u57 n SER 26 Cb 0.06 0.23 -0.14 0.00 -0.75 0.00 0.00 64.21 63.61 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 0.24 0.02 -1.46 4.15 -0.87 -1.59 115.11 115.59 1u57 h GLN 27 Ca -0.38 -0.40 -0.00 0.00 0.77 0.00 0.00 58.65 58.63 1u57 h GLN 27 Cb 1.72 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.56 1u57 h GLN 27 CO -0.02 1.19 -0.01 0.28 -1.93 0.00 0.00 178.83 178.34 1u57 h VAL 28 N -0.42 1.20 -0.70 2.39 2.07 -1.05 -0.80 116.25 118.94 1u57 h VAL 28 Ca -0.22 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 66.72 1u57 h VAL 28 Cb 1.63 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 33.02 1u57 h VAL 28 CO 0.08 0.18 0.46 0.74 0.02 0.00 0.00 177.57 179.05 1u57 h THR 29 N -0.32 0.90 -0.29 2.57 2.02 -1.74 -0.95 112.91 115.10 1u57 h THR 29 Ca -0.00 -0.18 -0.17 0.00 0.77 0.00 0.00 66.41 66.83 1u57 h THR 29 Cb 0.31 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1u57 h THR 29 CO 0.00 0.10 -0.47 -1.13 0.37 0.00 0.00 175.52 174.40 1u57 h ASN 30 N 0.54 0.91 -0.82 4.18 -0.73 -0.88 -0.21 115.58 118.56 1u57 h ASN 30 Ca 0.33 -0.52 0.00 0.00 1.87 0.00 0.00 56.30 57.98 1u57 h ASN 30 Cb 0.55 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.84 1u57 h ASN 30 CO -0.11 1.25 0.53 -1.28 -0.37 0.00 0.00 177.43 177.46 1u57 h SER 31 N 0.59 0.96 0.24 1.15 0.87 0.13 0.24 113.55 117.73 1u57 h SER 31 Ca 0.02 -0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.40 1u57 h SER 31 Cb 1.07 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1u57 h SER 31 CO 0.11 0.71 -0.59 0.00 -0.53 0.00 0.00 176.83 176.52 1u57 h ALA 32 N 1.47 0.79 -0.25 6.23 0.00 -1.22 -2.78 119.26 123.50 1u57 h ALA 32 Ca 0.30 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1u57 h ALA 32 Cb -0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1u57 h ALA 32 CO -0.06 0.71 -0.19 0.00 0.00 0.00 0.00 179.25 179.71 1u57 h THR 33 N 0.26 1.24 0.00 0.00 1.03 0.42 0.66 112.91 116.53 1u57 h THR 33 Ca -0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 66.41 65.27 1u57 h THR 33 Cb 1.10 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 69.45 1u57 h THR 33 CO 0.10 0.36 0.00 -0.38 -0.01 0.00 0.00 175.52 175.59 1u57 n ILE 34 N -4.16 0.55 -0.08 0.00 2.08 0.70 -1.09 119.36 117.36 1u57 n ILE 34 Ca -0.00 0.14 -0.07 0.00 0.56 0.00 0.00 62.75 63.38 1u57 n ILE 34 Cb 0.36 -0.81 -0.14 0.00 -0.75 0.00 0.00 39.64 38.30 1u57 n ILE 34 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 1u57 n MET 35 N -1.39 1.09 0.05 0.38 0.00 -0.51 -3.66 117.12 113.08 1u57 n MET 35 Ca 0.07 -0.02 -0.20 0.00 0.00 0.00 0.00 57.70 57.54 1u57 n MET 35 Cb 0.19 -1.45 -0.11 0.00 0.00 0.00 0.00 33.22 31.85 1u57 n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1u57 h MET 36 N 0.00 0.64 -0.73 3.17 -0.00 -0.67 -3.10 114.93 114.25 1u57 h MET 36 Ca -0.43 -0.74 0.02 0.00 -0.00 0.00 0.00 59.70 58.55 1u57 h MET 36 Cb 1.97 0.22 -0.04 0.00 -0.00 0.00 0.00 31.60 33.75 1u57 h MET 36 CO 0.02 1.31 0.47 0.37 -0.00 0.00 0.00 176.91 179.09 1u57 h GLN 37 N 0.29 0.90 -2.03 -0.10 4.15 -1.34 -0.36 115.11 116.63 1u57 h GLN 37 Ca -0.14 -0.05 -0.23 0.00 0.77 0.00 0.00 58.65 58.99 1u57 h GLN 37 Cb 1.70 -0.20 -0.08 0.00 0.21 0.00 0.00 27.48 29.11 1u57 h GLN 37 CO 0.20 0.60 -0.20 0.54 -1.93 0.00 0.00 178.83 178.04 1u57 n ARG 38 N -4.62 2.09 0.14 1.69 3.00 -1.17 -3.00 116.66 114.80 1u57 n ARG 38 Ca 0.08 -1.16 0.00 0.00 -0.01 0.00 0.00 57.85 56.75 1u57 n ARG 38 Cb 0.06 -2.04 0.00 0.00 0.00 0.00 0.00 32.46 30.49 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 2.37 -1.58 2.22 -0.13 0.00 -1.05 -4.81 105.19 102.21 1u57 n GLY 39 Ca 0.45 0.42 -0.31 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.23 7.78 0.00 1.61 3.02 -0.17 -1.41 115.26 122.86 1u57 n ASN 40 Ca 0.00 -2.54 0.00 0.00 -0.03 0.00 0.00 54.58 52.01 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 3.27 -0.68 0.23 3.10 -0.00 -1.23 -4.86 117.46 117.28 1u57 n PHE 41 Ca 0.69 0.03 -0.14 0.00 -0.00 0.00 0.00 57.45 58.03 1u57 n PHE 41 Cb 0.43 0.19 -0.08 0.00 -0.00 0.00 0.00 39.48 40.02 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 -0.56 -0.38 -4.13 9.65 -1.73 0.27 114.38 117.50 1u57 h ARG 42 Ca 0.00 0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1u57 h ARG 42 Cb 0.00 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1u57 h ARG 42 CO 0.00 -0.26 0.11 -0.97 2.80 0.00 0.00 179.97 181.66 1u57 h ASN 43 N -0.84 0.56 -0.85 -3.80 -0.73 -1.61 -2.42 115.58 105.90 1u57 h ASN 43 Ca -0.06 -0.21 0.15 0.00 1.87 0.00 0.00 56.30 58.05 1u57 h ASN 43 Cb 0.56 -0.15 -0.10 0.00 0.27 0.00 0.00 38.32 38.90 1u57 h ASN 43 CO 0.10 0.62 0.42 1.56 -0.37 0.00 0.00 177.43 179.76 1u57 h GLN 44 N 0.47 0.58 -3.18 6.67 4.20 -1.70 -3.47 115.11 118.68 1u57 h GLN 44 Ca 0.12 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 1u57 h GLN 44 Cb 0.27 -0.13 0.06 0.00 0.30 0.00 0.00 27.48 27.97 1u57 h GLN 44 CO -0.00 0.38 -0.27 -2.13 -0.67 0.00 0.00 178.83 176.14 1u57 n ARG 45 N -4.89 -2.52 -2.14 1.46 0.63 -0.06 -4.97 116.66 104.16 1u57 n ARG 45 Ca 0.17 0.31 -0.37 0.00 -0.92 0.00 0.00 57.85 57.04 1u57 n ARG 45 Cb 0.45 -3.72 0.03 0.00 0.45 0.00 0.00 32.46 29.67 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 -2.13 3.20 -1.97 -0.14 4.81 -0.36 -4.94 118.16 116.63 1u57 n LYS 46 Ca -0.08 -3.88 -0.41 0.00 -0.87 0.00 0.00 58.31 53.07 1u57 n LYS 46 Cb 0.55 -2.29 -0.02 0.00 0.02 0.00 0.00 35.03 33.30 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 -0.47 3.20 -1.07 3.15 2.08 -1.26 -4.94 119.36 120.05 1u57 n ILE 47 Ca 0.50 -3.06 0.00 0.00 0.56 0.00 0.00 62.75 60.75 1u57 n ILE 47 Cb 0.32 -2.43 0.00 0.00 -0.75 0.00 0.00 39.64 36.78 1u57 n ILE 47 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44