#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 2.33 1.10 3.23 2.02 -1.26 -5.03 118.70 121.10 1u57 s GLU 2 Ca 0.00 -0.23 -0.13 0.00 0.02 0.00 0.00 54.97 54.63 1u57 s GLU 2 Cb 0.00 -2.20 0.23 0.00 0.10 0.00 0.00 34.13 32.26 1u57 s GLU 2 CO 0.00 -1.13 0.93 0.39 0.02 0.00 0.00 175.26 175.47 1u57 n GLU 3 N -2.85 -1.84 0.00 1.61 4.71 -1.26 -3.53 120.64 117.49 1u57 n GLU 3 Ca 0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 57.16 56.73 1u57 n GLU 3 Cb 0.60 -2.16 0.00 0.00 -1.01 0.00 0.00 31.44 28.87 1u57 n GLU 3 CO 0.00 0.00 0.00 -0.12 0.09 0.00 0.00 177.13 177.10 1u57 n MET 4 N -4.40 0.00 0.15 3.49 1.56 -1.26 -4.70 117.12 111.95 1u57 n MET 4 Ca 0.05 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.50 1u57 n MET 4 Cb 0.54 -1.47 0.36 0.00 2.15 0.00 0.00 33.22 34.80 1u57 n MET 4 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 1u57 h MET 5 N 0.24 0.13 -0.71 2.12 2.86 -1.84 0.09 114.93 117.82 1u57 h MET 5 Ca 0.00 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1u57 h MET 5 Cb 0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1u57 h MET 5 CO 0.00 0.40 0.30 1.15 1.06 0.00 0.00 176.91 179.82 1u57 h THR 6 N 0.12 1.24 0.11 2.22 2.02 -1.84 -2.43 112.91 114.34 1u57 h THR 6 Ca 0.02 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1u57 h THR 6 Cb 0.56 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1u57 h THR 6 CO 0.04 0.30 -0.05 0.00 0.37 0.00 0.00 175.52 176.18 1u57 h ALA 7 N 1.30 -0.14 -0.19 6.16 0.00 -1.87 -3.36 119.26 121.16 1u57 h ALA 7 Ca 0.24 -0.12 -0.66 0.00 0.00 0.00 0.00 54.91 54.37 1u57 h ALA 7 Cb 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1u57 h ALA 7 CO -0.02 -0.14 3.16 0.00 0.00 0.00 0.00 179.25 182.25 1u57 n GLN 9 N 2.94 3.18 -3.18 0.00 7.27 -0.92 -4.06 117.38 122.62 1u57 n GLN 9 Ca 0.72 -3.09 -0.15 0.00 0.07 0.00 0.00 57.00 54.54 1u57 n GLN 9 Cb 0.28 -3.19 0.06 0.00 2.41 0.00 0.00 30.24 29.80 1u57 n GLN 9 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1u57 n GLY 10 N 3.90 -0.11 0.15 1.69 0.00 -1.26 -4.96 105.19 104.59 1u57 n GLY 10 Ca 0.47 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.71 1.34 -2.11 1.61 3.04 -1.89 -3.47 116.25 113.05 1u57 h VAL 11 Ca -0.41 -1.31 -0.32 0.00 -1.01 0.00 0.00 66.70 63.65 1u57 h VAL 11 Cb 1.25 1.81 -0.08 0.00 -2.01 0.00 0.00 31.29 32.26 1u57 h VAL 11 CO 0.38 0.39 -0.33 0.61 -1.01 0.00 0.00 177.57 177.61 1u57 n GLY 12 N 0.17 0.73 7.00 3.17 0.00 -1.26 -4.60 105.19 110.41 1u57 n GLY 12 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.52 1.83 0.16 -0.02 0.00 -1.26 -1.54 105.19 103.84 1u57 n GLY 13 Ca -0.17 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 0.45 -0.76 1.61 0.13 -1.99 -2.53 132.00 128.92 1u57 h PRO 14 Ca 0.00 -0.21 0.17 0.00 -0.87 0.00 0.00 66.00 65.09 1u57 h PRO 14 Cb 0.00 -0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 1u57 h PRO 14 CO 0.00 0.76 0.07 0.78 -0.23 0.00 0.00 178.00 179.38 1u57 h GLY 15 N 0.14 0.93 1.96 1.56 0.00 -1.95 0.18 103.07 105.90 1u57 h GLY 15 Ca 0.04 0.06 -0.19 0.00 0.00 0.00 0.00 47.33 47.24 1u57 h GLY 15 CO 0.04 -0.27 -0.90 0.84 0.00 0.00 0.00 176.54 176.24 1u57 h HIS 16 N 0.15 0.05 -0.76 5.60 -0.00 -1.28 -1.66 115.15 117.26 1u57 h HIS 16 Ca 0.42 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.76 1u57 h HIS 16 Cb 0.75 -0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.12 1u57 h HIS 16 CO -0.37 0.91 0.46 0.87 -0.00 0.00 0.00 177.93 179.81 1u57 h LYS 17 N 0.01 1.03 -0.14 5.26 6.56 -0.61 0.79 116.57 129.46 1u57 h LYS 17 Ca -0.02 -0.09 -0.15 0.00 -1.06 0.00 0.00 60.65 59.33 1u57 h LYS 17 Cb 1.58 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 33.01 1u57 h LYS 17 CO 0.12 0.72 -0.56 0.00 -2.06 0.00 0.00 179.45 177.66 1u57 h ALA 18 N 1.46 0.75 -0.40 3.86 0.00 -0.64 -0.82 119.26 123.48 1u57 h ALA 18 Ca 0.27 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1u57 h ALA 18 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1u57 h ALA 18 CO -0.05 0.70 -0.34 -0.09 0.00 0.00 0.00 179.25 179.46 1u57 h ARG 19 N 0.34 0.93 -0.37 0.00 2.43 -0.51 -0.22 114.38 116.98 1u57 h ARG 19 Ca 0.00 -0.46 -0.08 0.00 -0.81 0.00 0.00 59.98 58.63 1u57 h ARG 19 Cb 1.09 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1u57 h ARG 19 CO 0.10 1.12 -0.09 0.28 -1.51 0.00 0.00 179.97 179.88 1u57 h VAL 20 N 0.77 1.28 0.19 0.20 2.07 -0.83 -1.98 116.25 117.95 1u57 h VAL 20 Ca 0.07 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1u57 h VAL 20 Cb 0.93 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1u57 h VAL 20 CO 0.09 0.38 -0.17 0.25 0.02 0.00 0.00 177.57 178.14 1u57 h LEU 21 N 0.51 -0.44 -1.03 2.57 5.85 -1.07 -1.34 115.31 120.36 1u57 h LEU 21 Ca 0.09 0.04 0.17 0.00 0.84 0.00 0.00 57.88 59.02 1u57 h LEU 21 Cb 0.60 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.68 1u57 h LEU 21 CO 0.04 -0.26 0.62 0.00 -0.34 0.00 0.00 178.44 178.50 1u57 h ALA 22 N 0.39 1.65 -0.22 1.25 0.00 -0.91 0.40 119.26 121.82 1u57 h ALA 22 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1u57 h ALA 22 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1u57 h ALA 22 CO -0.03 0.02 0.09 1.49 0.00 0.00 0.00 179.25 180.82 1u57 h GLU 23 N 0.82 0.33 -0.28 0.00 4.81 -1.01 -1.56 114.58 117.69 1u57 h GLU 23 Ca 0.55 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.55 1u57 h GLU 23 Cb 0.78 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 1u57 h GLU 23 CO -0.34 0.39 -0.51 0.00 -0.73 0.00 0.00 179.01 177.83 1u57 h ALA 24 N 0.93 0.58 0.47 2.92 0.00 -0.03 -2.50 119.26 121.62 1u57 h ALA 24 Ca 0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1u57 h ALA 24 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1u57 h ALA 24 CO -0.01 0.68 -0.23 0.52 0.00 0.00 0.00 179.25 180.22 1u57 h MET 25 N 0.61 -0.61 -0.96 0.00 2.86 -0.21 0.95 114.93 117.57 1u57 h MET 25 Ca 0.02 0.04 0.20 0.00 -2.06 0.00 0.00 59.70 57.91 1u57 h MET 25 Cb 1.09 0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.80 1u57 h MET 25 CO 0.11 -0.33 0.61 0.66 1.06 0.00 0.00 176.91 179.02 1u57 h SER 26 N -0.80 0.57 -0.12 1.22 4.64 -1.31 0.56 113.55 118.32 1u57 h SER 26 Ca -0.06 0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1u57 h SER 26 Cb 0.56 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1u57 h SER 26 CO 0.11 0.21 -0.33 -0.61 -0.87 0.00 0.00 176.83 175.34 1u57 h GLN 27 N 0.56 0.43 -0.06 4.77 4.15 -1.00 -1.46 115.11 122.50 1u57 h GLN 27 Ca 0.52 -0.31 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 1u57 h GLN 27 Cb 1.07 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 1u57 h GLN 27 CO -0.26 0.92 -0.02 0.28 -1.93 0.00 0.00 178.83 177.82 1u57 h VAL 28 N 0.01 1.31 -0.72 2.39 2.07 0.16 -0.36 116.25 121.11 1u57 h VAL 28 Ca -0.01 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1u57 h VAL 28 Cb 0.95 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 1u57 h VAL 28 CO 0.07 0.27 0.47 0.74 0.02 0.00 0.00 177.57 179.14 1u57 h THR 29 N -0.25 1.03 -0.21 2.57 2.02 -1.03 -0.23 112.91 116.82 1u57 h THR 29 Ca 0.01 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 1u57 h THR 29 Cb 0.44 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1u57 h THR 29 CO 0.01 0.14 -0.14 -1.13 0.37 0.00 0.00 175.52 174.76 1u57 h ASN 30 N 0.76 0.48 -0.18 4.18 -1.24 -0.94 0.92 115.58 119.56 1u57 h ASN 30 Ca 0.31 -0.44 0.02 0.00 0.71 0.00 0.00 56.30 56.90 1u57 h ASN 30 Cb 0.23 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1u57 h ASN 30 CO -0.10 0.82 0.12 -1.28 -1.29 0.00 0.00 177.43 175.70 1u57 h SER 31 N 0.15 0.14 1.10 1.15 0.87 -0.27 0.58 113.55 117.28 1u57 h SER 31 Ca 0.04 -0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.43 1u57 h SER 31 Cb 0.66 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 1u57 h SER 31 CO 0.04 0.10 -0.94 0.00 -0.53 0.00 0.00 176.83 175.50 1u57 h ALA 32 N 1.90 0.56 -0.13 6.23 0.00 -0.90 -3.21 119.26 123.70 1u57 h ALA 32 Ca 0.07 -0.78 -0.06 0.00 0.00 0.00 0.00 54.91 54.14 1u57 h ALA 32 Cb 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1u57 h ALA 32 CO -0.01 1.00 -0.22 0.00 0.00 0.00 0.00 179.25 180.02 1u57 h THR 33 N 0.00 1.21 -0.35 0.00 1.03 0.13 -0.68 112.91 114.25 1u57 h THR 33 Ca -0.06 -0.99 -0.02 0.00 -0.01 0.00 0.00 66.41 65.33 1u57 h THR 33 Cb 1.62 1.36 -0.02 0.00 -1.07 0.00 0.00 68.15 70.04 1u57 h THR 33 CO 0.09 0.30 0.11 0.40 -0.01 0.00 0.00 175.52 176.41 1u57 h ILE 34 N 0.20 1.15 -0.19 0.00 1.08 -1.06 0.06 117.51 118.75 1u57 h ILE 34 Ca 0.03 -0.51 -0.14 0.00 -0.39 0.00 0.00 64.86 63.86 1u57 h ILE 34 Cb 0.50 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1u57 h ILE 34 CO 0.03 0.19 -0.41 0.24 -0.69 0.00 0.00 178.15 177.51 1u57 h MET 35 N 0.50 0.61 -0.35 2.37 2.86 -1.23 0.35 114.93 120.04 1u57 h MET 35 Ca 0.12 -0.41 -0.12 0.00 -2.06 0.00 0.00 59.70 57.24 1u57 h MET 35 Cb 0.15 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1u57 h MET 35 CO -0.01 1.02 -0.26 0.00 1.06 0.00 0.00 176.91 178.73 1u57 h MET 36 N 0.28 0.72 -0.31 1.72 -0.00 -0.86 -2.37 114.93 114.11 1u57 h MET 36 Ca 0.00 -0.30 -0.10 0.00 -0.00 0.00 0.00 59.70 59.30 1u57 h MET 36 Cb 1.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.58 1u57 h MET 36 CO 0.09 0.90 -0.22 0.37 -0.00 0.00 0.00 176.91 178.05 1u57 h GLN 37 N 0.62 0.60 -5.89 -0.10 4.15 -1.01 -3.23 115.11 110.24 1u57 h GLN 37 Ca 0.08 -0.22 -0.51 0.00 0.77 0.00 0.00 58.65 58.77 1u57 h GLN 37 Cb 0.76 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 1u57 h GLN 37 CO 0.06 0.77 1.46 0.50 -1.93 0.00 0.00 178.83 179.69 1u57 s ARG 38 N -4.58 2.58 -0.38 1.69 6.06 0.11 -0.63 118.95 123.81 1u57 s ARG 38 Ca -0.08 1.17 -0.02 0.00 -2.50 0.00 0.00 55.73 54.30 1u57 s ARG 38 Cb 0.14 -4.43 0.00 0.00 0.06 0.00 0.00 34.95 30.72 1u57 s ARG 38 CO 0.81 -2.75 0.33 0.41 -2.50 0.00 0.00 175.30 171.60 1u57 n GLY 39 N 5.78 0.40 0.02 8.12 0.00 -1.26 -4.87 105.19 113.38 1u57 n GLY 39 Ca 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.50 -0.06 -0.26 1.61 5.15 0.20 -1.66 115.26 119.74 1u57 n ASN 40 Ca -0.03 0.65 0.05 0.00 -0.60 0.00 0.00 54.58 54.65 1u57 n ASN 40 Cb 0.53 -0.28 0.19 0.00 -0.53 0.00 0.00 39.78 39.68 1u57 n ASN 40 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1u57 h PHE 41 N 0.00 0.51 -0.65 1.20 0.04 -1.87 0.11 116.94 116.27 1u57 h PHE 41 Ca 0.01 0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.87 1u57 h PHE 41 Cb 0.02 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 1u57 h PHE 41 CO -0.57 0.06 0.36 -0.09 -0.60 0.00 0.00 178.31 177.47 1u57 h ARG 42 N 0.44 0.65 -0.21 1.51 9.65 -1.69 -0.81 114.38 123.91 1u57 h ARG 42 Ca 0.42 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 59.19 1u57 h ARG 42 Cb 0.63 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1u57 h ARG 42 CO -0.41 0.43 -0.14 -0.97 2.80 0.00 0.00 179.97 181.68 1u57 h ASN 43 N 0.67 0.50 0.04 -3.80 -1.24 -0.29 -1.92 115.58 109.53 1u57 h ASN 43 Ca 0.29 -0.44 0.02 0.00 0.71 0.00 0.00 56.30 56.88 1u57 h ASN 43 Cb 0.17 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.05 1u57 h ASN 43 CO -0.18 0.83 -0.21 1.56 -1.29 0.00 0.00 177.43 178.14 1u57 h GLN 44 N 0.17 -0.35 0.12 6.67 4.20 -0.80 -0.31 115.11 124.80 1u57 h GLN 44 Ca 0.04 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1u57 h GLN 44 Cb 0.66 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 1u57 h GLN 44 CO 0.04 -0.23 -0.37 -0.09 -0.67 0.00 0.00 178.83 177.51 1u57 h ARG 45 N -0.36 -0.58 -1.98 1.46 2.43 -1.12 -3.02 114.38 111.20 1u57 h ARG 45 Ca 0.05 0.04 -0.72 0.00 -0.81 0.00 0.00 59.98 58.53 1u57 h ARG 45 Cb 0.42 0.13 -0.32 0.00 -0.42 0.00 0.00 29.97 29.79 1u57 h ARG 45 CO -0.17 -0.39 0.51 1.17 -1.51 0.00 0.00 179.97 179.59 1u57 n LYS 46 N -5.44 3.54 -2.08 0.20 4.81 -0.73 -5.02 118.16 113.44 1u57 n LYS 46 Ca -0.07 -4.12 -0.39 0.00 -0.87 0.00 0.00 58.31 52.87 1u57 n LYS 46 Cb 0.36 -2.31 -0.00 0.00 0.02 0.00 0.00 35.03 33.10 1u57 n LYS 46 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1u57 s ILE 47 N -4.95 2.70 -2.00 3.15 1.10 -0.14 -4.83 121.20 116.23 1u57 s ILE 47 Ca 0.48 0.59 0.08 0.00 -0.51 0.00 0.00 60.65 61.29 1u57 s ILE 47 Cb 0.36 -3.33 0.23 0.00 0.15 0.00 0.00 42.46 39.86 1u57 s ILE 47 CO -0.28 0.06 0.93 0.55 -2.11 0.00 0.00 174.94 174.09