#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 2.41 0.00 1.96 4.71 -1.26 -4.78 120.64 123.68 1u57 n GLU 2 Ca 0.00 -2.41 0.00 0.00 -0.01 0.00 0.00 57.16 54.74 1u57 n GLU 2 Cb 0.00 -3.20 0.00 0.00 -1.01 0.00 0.00 31.44 27.23 1u57 n GLU 2 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1u57 n GLU 3 N 6.64 0.66 -0.08 3.49 0.28 -1.26 -3.34 120.64 127.02 1u57 n GLU 3 Ca 0.51 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.40 1u57 n GLU 3 Cb 0.40 -1.09 -0.04 0.00 1.43 0.00 0.00 31.44 32.13 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 0.10 0.42 -0.06 3.44 4.05 -1.99 -0.47 114.93 120.42 1u57 h MET 4 Ca 0.00 -0.13 -0.07 0.00 -0.28 0.00 0.00 59.70 59.22 1u57 h MET 4 Cb 0.09 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1u57 h MET 4 CO 0.00 0.59 -0.27 0.00 0.23 0.00 0.00 176.91 177.46 1u57 h MET 5 N 0.20 0.10 -0.14 0.39 -0.00 -1.89 0.09 114.93 113.68 1u57 h MET 5 Ca 0.07 -0.03 -0.14 0.00 -0.00 0.00 0.00 59.70 59.60 1u57 h MET 5 Cb 0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 1u57 h MET 5 CO 0.01 0.37 -0.44 1.15 -0.00 0.00 0.00 176.91 178.00 1u57 h THR 6 N 0.09 1.35 0.00 -0.10 2.02 -1.72 -3.30 112.91 111.26 1u57 h THR 6 Ca 0.01 -1.73 -0.00 0.00 0.77 0.00 0.00 66.41 65.47 1u57 h THR 6 Cb 0.53 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1u57 h THR 6 CO 0.04 0.52 -0.00 0.00 0.37 0.00 0.00 175.52 176.45 1u57 h ALA 7 N 0.53 -0.01 -0.27 6.16 0.00 -0.93 -3.33 119.26 121.40 1u57 h ALA 7 Ca -0.02 -0.17 -0.61 0.00 0.00 0.00 0.00 54.91 54.12 1u57 h ALA 7 Cb 1.07 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1u57 h ALA 7 CO 0.09 -0.34 2.39 0.00 0.00 0.00 0.00 179.25 181.39 1u57 n GLN 9 N 2.50 1.73 0.00 0.00 7.27 -0.88 -3.86 117.38 124.13 1u57 n GLN 9 Ca 0.65 -0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.70 1u57 n GLN 9 Cb 0.37 -0.20 0.00 0.00 2.41 0.00 0.00 30.24 32.82 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 0.25 2.35 0.18 1.69 0.00 0.58 -4.53 105.19 105.71 1u57 n GLY 10 Ca 0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 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 1.34 0.00 1.61 3.04 -1.83 -3.43 116.25 116.98 1u57 h VAL 11 Ca 0.00 -1.88 0.00 0.00 -1.01 0.00 0.00 66.70 63.81 1u57 h VAL 11 Cb 0.00 2.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1u57 h VAL 11 CO 0.00 0.57 0.00 0.61 -1.01 0.00 0.00 177.57 177.74 1u57 n GLY 12 N 0.72 -0.07 3.94 3.17 0.00 -0.12 -5.07 105.19 107.77 1u57 n GLY 12 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1u57 n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u57 s GLY 13 N -1.02 1.50 0.00 -0.02 0.00 -0.37 -4.96 107.32 102.45 1u57 s GLY 13 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1u57 s GLY 13 CO 0.00 -0.79 0.58 -1.55 0.00 0.00 0.00 173.10 171.34 1u57 n PRO 14 N -2.05 0.00 0.00 2.90 -0.04 -1.26 -0.31 135.00 134.24 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 0.57 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.09 0.81 0.01 0.55 0.00 -1.26 -2.19 105.19 103.03 1u57 n GLY 15 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.28 1.61 -0.00 -1.25 -4.33 115.22 111.53 1u57 n HIS 16 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.87 1u57 n HIS 16 Cb 0.00 -0.11 0.84 0.00 -0.00 0.00 0.00 29.99 30.72 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 -0.36 1.57 1.79 -1.75 0.13 116.57 117.95 1u57 h LYS 17 Ca -0.06 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.26 1u57 h LYS 17 Cb 1.12 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 1u57 h LYS 17 CO -0.00 0.06 -0.34 0.00 -1.08 0.00 0.00 179.45 178.09 1u57 h ALA 18 N 1.94 0.71 -0.12 3.86 0.00 -1.78 -0.55 119.26 123.31 1u57 h ALA 18 Ca -0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 1u57 h ALA 18 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1u57 h ALA 18 CO 0.01 0.66 -0.62 -0.09 0.00 0.00 0.00 179.25 179.21 1u57 h ARG 19 N 0.69 0.44 -0.43 0.00 2.43 -1.08 -0.60 114.38 115.83 1u57 h ARG 19 Ca 0.07 -0.31 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 1u57 h ARG 19 Cb 0.90 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 1u57 h ARG 19 CO 0.08 0.92 0.09 0.28 -1.51 0.00 0.00 179.97 179.83 1u57 h VAL 20 N 0.32 1.24 0.70 0.20 2.07 -0.73 -0.92 116.25 119.13 1u57 h VAL 20 Ca -0.01 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 1u57 h VAL 20 Cb 1.17 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1u57 h VAL 20 CO 0.11 0.30 -0.39 0.25 0.02 0.00 0.00 177.57 177.86 1u57 h LEU 21 N 0.57 -0.96 -1.00 2.57 5.85 -1.04 -1.82 115.31 119.48 1u57 h LEU 21 Ca 0.13 0.05 0.27 0.00 0.84 0.00 0.00 57.88 59.17 1u57 h LEU 21 Cb 0.35 0.27 -0.13 0.00 0.37 0.00 0.00 40.66 41.52 1u57 h LEU 21 CO 0.01 -0.63 0.57 0.00 -0.34 0.00 0.00 178.44 178.05 1u57 h ALA 22 N -0.76 1.83 -0.26 1.25 0.00 -0.90 0.41 119.26 120.83 1u57 h ALA 22 Ca -0.09 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1u57 h ALA 22 Cb 0.80 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1u57 h ALA 22 CO 0.12 -0.40 0.10 1.49 0.00 0.00 0.00 179.25 180.56 1u57 h GLU 23 N 0.46 0.39 -0.17 0.00 4.57 -0.97 -2.54 114.58 116.32 1u57 h GLU 23 Ca 0.68 -0.07 -0.22 0.00 -1.18 0.00 0.00 59.36 58.56 1u57 h GLU 23 Cb 1.39 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.93 1u57 h GLU 23 CO -0.53 0.43 -0.75 0.00 -1.18 0.00 0.00 179.01 176.97 1u57 h ALA 24 N 0.94 0.33 -0.12 2.92 0.00 0.49 -2.52 119.26 121.29 1u57 h ALA 24 Ca 0.08 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1u57 h ALA 24 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u57 h ALA 24 CO -0.01 0.68 -0.57 0.00 0.00 0.00 0.00 179.25 179.36 1u57 h MET 25 N 0.56 0.38 -0.81 0.00 -0.00 -0.55 0.20 114.93 114.72 1u57 h MET 25 Ca -0.04 -0.25 -0.02 0.00 -0.00 0.00 0.00 59.70 59.39 1u57 h MET 25 Cb 1.38 0.03 -0.04 0.00 -0.00 0.00 0.00 31.60 32.97 1u57 h MET 25 CO 0.16 0.85 0.43 1.03 -0.00 0.00 0.00 176.91 179.38 1u57 h SER 26 N 0.29 1.01 0.13 -0.10 0.87 -1.46 -1.38 113.55 112.91 1u57 h SER 26 Ca 0.00 -0.09 -0.29 0.00 -1.23 0.00 0.00 61.79 60.18 1u57 h SER 26 Cb 1.08 -0.26 0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1u57 h SER 26 CO 0.10 0.82 -1.20 -0.61 -0.53 0.00 0.00 176.83 175.40 1u57 h GLN 27 N 1.13 0.63 -0.02 2.24 4.15 -0.93 -1.73 115.11 120.58 1u57 h GLN 27 Ca 0.28 -0.80 -0.01 0.00 0.77 0.00 0.00 58.65 58.89 1u57 h GLN 27 Cb 0.04 0.26 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 1u57 h GLN 27 CO -0.04 1.36 -0.03 0.28 -1.93 0.00 0.00 178.83 178.47 1u57 h VAL 28 N 0.30 1.40 -0.46 2.39 2.07 -0.56 0.58 116.25 121.97 1u57 h VAL 28 Ca -0.17 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 1u57 h VAL 28 Cb 1.87 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.80 1u57 h VAL 28 CO 0.23 0.33 0.18 0.00 0.02 0.00 0.00 177.57 178.32 1u57 h THR 29 N -0.44 1.18 -0.58 2.57 1.03 -1.37 -1.33 112.91 113.97 1u57 h THR 29 Ca 0.00 -0.56 -0.05 0.00 -0.01 0.00 0.00 66.41 65.79 1u57 h THR 29 Cb 0.55 0.64 -0.02 0.00 -1.07 0.00 0.00 68.15 68.24 1u57 h THR 29 CO 0.01 0.22 0.16 -1.13 -0.01 0.00 0.00 175.52 174.76 1u57 h ASN 30 N 0.65 0.86 -0.51 0.00 -1.24 -1.15 0.81 115.58 115.01 1u57 h ASN 30 Ca 0.16 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 1u57 h ASN 30 Cb 0.14 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 1u57 h ASN 30 CO -0.01 0.86 0.28 -1.28 -1.29 0.00 0.00 177.43 175.98 1u57 h SER 31 N 0.82 0.65 0.87 1.15 0.87 0.04 0.48 113.55 118.44 1u57 h SER 31 Ca 0.18 -0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.56 1u57 h SER 31 Cb 0.32 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1u57 h SER 31 CO -0.00 0.54 -0.64 0.00 -0.53 0.00 0.00 176.83 176.19 1u57 h ALA 32 N 1.57 0.79 -0.34 6.23 0.00 -0.93 -2.94 119.26 123.64 1u57 h ALA 32 Ca 0.19 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1u57 h ALA 32 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1u57 h ALA 32 CO -0.03 0.80 0.03 0.00 0.00 0.00 0.00 179.25 180.06 1u57 h THR 33 N 0.00 1.18 -0.19 0.00 1.03 0.12 -0.65 112.91 114.41 1u57 h THR 33 Ca -0.01 -0.70 -0.04 0.00 -0.01 0.00 0.00 66.41 65.65 1u57 h THR 33 Cb 1.25 0.89 -0.01 0.00 -1.07 0.00 0.00 68.15 69.21 1u57 h THR 33 CO 0.08 0.24 -0.06 0.40 -0.01 0.00 0.00 175.52 176.18 1u57 h ILE 34 N 0.50 1.16 -0.23 0.00 1.08 -0.94 -0.50 117.51 118.58 1u57 h ILE 34 Ca 0.11 -0.66 -0.14 0.00 -0.39 0.00 0.00 64.86 63.79 1u57 h ILE 34 Cb 0.28 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1u57 h ILE 34 CO 0.00 0.21 -0.40 0.24 -0.69 0.00 0.00 178.15 177.52 1u57 h MET 35 N 0.28 0.67 0.10 2.37 2.86 -1.09 0.11 114.93 120.22 1u57 h MET 35 Ca 0.06 -0.42 -0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1u57 h MET 35 Cb 0.29 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1u57 h MET 35 CO 0.01 1.04 -0.05 0.52 1.06 0.00 0.00 176.91 179.50 1u57 h MET 36 N 0.38 -0.13 -0.99 1.72 2.86 -1.04 -2.09 114.93 115.64 1u57 h MET 36 Ca 0.01 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.84 1u57 h MET 36 Cb 1.00 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.58 1u57 h MET 36 CO 0.09 -0.04 0.59 0.37 1.06 0.00 0.00 176.91 178.99 1u57 h GLN 37 N -0.18 0.74 -3.48 1.72 4.15 -1.10 -0.27 115.11 116.69 1u57 h GLN 37 Ca -0.01 -0.04 -0.63 0.00 0.77 0.00 0.00 58.65 58.73 1u57 h GLN 37 Cb 0.15 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 27.68 1u57 h GLN 37 CO 0.02 0.49 3.31 0.54 -1.93 0.00 0.00 178.83 181.27 1u57 n ARG 38 N -4.77 3.00 0.00 1.69 3.00 0.02 -2.55 116.66 117.05 1u57 n ARG 38 Ca 0.22 -2.15 0.00 0.00 -0.01 0.00 0.00 57.85 55.91 1u57 n ARG 38 Cb 0.55 -2.89 0.00 0.00 0.00 0.00 0.00 32.46 30.12 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 3.84 -0.48 2.21 -0.13 0.00 -1.08 -4.91 105.19 104.64 1u57 n GLY 39 Ca 0.63 0.31 -0.30 0.00 0.00 0.00 0.00 46.02 46.66 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 7.51 0.11 1.61 4.13 -0.13 -1.60 115.26 126.88 1u57 n ASN 40 Ca 0.00 -2.53 0.00 0.00 1.68 0.00 0.00 54.58 53.73 1u57 n ASN 40 Cb 0.00 -1.50 0.00 0.00 -1.54 0.00 0.00 39.78 36.74 1u57 n ASN 40 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1u57 n PHE 41 N 3.23 -3.36 -0.00 3.10 7.35 -1.18 -4.74 117.46 121.86 1u57 n PHE 41 Ca 0.66 0.73 -0.11 0.00 -0.76 0.00 0.00 57.45 57.98 1u57 n PHE 41 Cb 0.46 2.07 -0.04 0.00 0.35 0.00 0.00 39.48 42.31 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 -0.40 -0.27 -4.13 2.43 -1.75 -2.53 114.38 107.73 1u57 h ARG 42 Ca 0.00 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1u57 h ARG 42 Cb 0.00 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1u57 h ARG 42 CO 0.00 -0.26 0.02 -0.97 -1.51 0.00 0.00 179.97 177.24 1u57 h ASN 43 N -0.41 0.45 -3.28 -3.80 -1.24 -1.67 -3.46 115.58 102.16 1u57 h ASN 43 Ca 0.09 -0.29 -0.40 0.00 0.71 0.00 0.00 56.30 56.41 1u57 h ASN 43 Cb 0.56 -0.12 0.20 0.00 0.73 0.00 0.00 38.32 39.70 1u57 h ASN 43 CO -0.37 0.63 0.01 -1.10 -1.29 0.00 0.00 177.43 175.31 1u57 s GLN 44 N -5.07 -2.00 -1.64 6.67 -1.52 -0.95 -4.15 119.66 111.00 1u57 s GLN 44 Ca -0.14 0.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.34 1u57 s GLN 44 Cb 0.08 -1.49 0.00 0.00 -0.22 0.00 0.00 33.01 31.38 1u57 s GLN 44 CO 0.75 -4.25 0.00 0.54 -0.25 0.00 0.00 175.29 172.08 1u57 n ARG 45 N -5.17 -1.79 0.00 2.91 3.00 -1.26 -4.84 116.66 109.51 1u57 n ARG 45 Ca 0.12 0.93 0.00 0.00 -0.01 0.00 0.00 57.85 58.89 1u57 n ARG 45 Cb 0.59 -5.56 0.00 0.00 0.00 0.00 0.00 32.46 27.49 1u57 n ARG 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1u57 n LYS 46 N -2.93 0.00 -3.35 5.56 4.81 -1.26 -5.01 118.16 115.99 1u57 n LYS 46 Ca -0.22 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.81 1u57 n LYS 46 Cb 0.67 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.70 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 0.00 4.20 -1.04 3.15 2.08 -1.26 -5.25 119.36 121.23 1u57 n ILE 47 Ca 0.00 -5.43 0.00 0.00 0.56 0.00 0.00 62.75 57.88 1u57 n ILE 47 Cb 0.00 -2.38 0.00 0.00 -0.75 0.00 0.00 39.64 36.51 1u57 n ILE 47 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44