#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjl h GLU 3 N 0.00 0.45 0.24 -0.78 5.08 -2.05 -2.45 114.58 115.06 3kjl h GLU 3 Ca 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3kjl h GLU 3 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3kjl h GLU 3 CO 0.00 0.44 -0.12 0.93 -1.00 0.00 0.00 179.01 179.27 3kjl h GLU 4 N 0.44 -0.32 -0.57 2.33 5.08 -2.06 -1.94 114.58 117.54 3kjl h GLU 4 Ca 0.10 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3kjl h GLU 4 Cb 0.23 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3kjl h GLU 4 CO 0.00 -0.11 0.25 1.79 -1.00 0.00 0.00 179.01 179.94 3kjl h THR 5 N -0.47 1.20 -0.42 1.13 1.35 -1.97 -1.94 112.91 111.79 3kjl h THR 5 Ca -0.03 -0.59 -0.04 0.00 -0.55 0.00 0.00 66.41 65.19 3kjl h THR 5 Cb 0.35 0.49 -0.02 0.00 -1.73 0.00 0.00 68.15 67.25 3kjl h THR 5 CO 0.06 0.24 0.10 0.40 -0.25 0.00 0.00 175.52 176.06 3kjl h ILE 6 N 0.81 1.23 -0.30 6.82 2.04 -1.33 -2.15 117.51 124.64 3kjl h ILE 6 Ca 0.20 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 3kjl h ILE 6 Cb 0.13 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3kjl h ILE 6 CO -0.02 0.28 -0.19 0.74 0.00 0.00 0.00 178.15 178.96 3kjl h THR 7 N 0.54 1.25 -0.74 -0.27 2.02 -0.97 -0.13 112.91 114.62 3kjl h THR 7 Ca 0.13 -1.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.08 3kjl h THR 7 Cb 0.32 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3kjl h THR 7 CO 0.00 0.38 0.26 0.40 0.37 0.00 0.00 175.52 176.93 3kjl h ILE 8 N 0.48 1.26 -0.37 3.11 2.04 -1.21 -1.13 117.51 121.69 3kjl h ILE 8 Ca 0.08 -0.86 -0.14 0.00 1.00 0.00 0.00 64.86 64.94 3kjl h ILE 8 Cb 0.60 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3kjl h ILE 8 CO 0.04 0.34 -0.33 0.44 0.00 0.00 0.00 178.15 178.64 3kjl h ASP 9 N 1.08 0.88 -0.21 1.72 3.32 -0.79 -1.57 116.42 120.85 3kjl h ASP 9 Ca 0.24 -0.37 -0.19 0.00 0.02 0.00 0.00 57.03 56.73 3kjl h ASP 9 Cb 0.27 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3kjl h ASP 9 CO -0.01 1.13 -0.60 -1.28 -1.72 0.00 0.00 179.24 176.76 3kjl h SER 10 N 0.70 0.92 0.28 6.45 0.87 -0.84 -1.08 113.55 120.86 3kjl h SER 10 Ca 0.07 -0.52 -0.16 0.00 -1.23 0.00 0.00 61.79 59.96 3kjl h SER 10 Cb 0.89 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 3kjl h SER 10 CO 0.08 1.31 -0.63 0.40 -0.53 0.00 0.00 176.83 177.46 3kjl h ILE 11 N 0.61 1.38 0.00 2.23 1.08 -1.23 -2.78 117.51 118.79 3kjl h ILE 11 Ca -0.00 -2.00 -0.05 0.00 -0.39 0.00 0.00 64.86 62.43 3kjl h ILE 11 Cb 1.20 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 36.94 3kjl h ILE 11 CO 0.13 0.60 -0.21 0.28 -0.69 0.00 0.00 178.15 178.25 3kjl h SER 12 N 0.24 0.00 0.01 1.72 0.02 -1.11 -2.12 113.55 112.31 3kjl h SER 12 Ca -0.01 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.76 3kjl h SER 12 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 3kjl h SER 12 CO 0.10 0.21 -0.65 -1.13 -1.14 0.00 0.00 176.83 174.23 3kjl h ASN 13 N 0.00 0.70 -0.28 3.07 -0.00 -0.93 -1.82 115.58 116.32 3kjl h ASN 13 Ca -0.00 -0.41 -0.16 0.00 -0.00 0.00 0.00 56.30 55.73 3kjl h ASN 13 Cb 0.69 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.80 3kjl h ASN 13 CO 0.03 1.16 -0.42 1.23 -0.00 0.00 0.00 177.43 179.43 3kjl h GLY 14 N 0.97 0.91 0.62 1.57 0.00 -1.30 -1.68 103.07 104.16 3kjl h GLY 14 Ca -0.01 -0.95 -0.01 0.00 0.00 0.00 0.00 47.33 46.36 3kjl h GLY 14 CO 0.12 0.86 -0.01 -2.22 0.00 0.00 0.00 176.54 175.29 3kjl h ILE 15 N 0.68 1.33 -0.39 2.60 2.04 -1.39 -1.28 117.51 121.09 3kjl h ILE 15 Ca 0.05 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 3kjl h ILE 15 Cb 0.99 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 3kjl h ILE 15 CO 0.10 0.27 0.16 0.25 0.00 0.00 0.00 178.15 178.93 3kjl h LEU 16 N -0.34 0.54 -1.24 1.44 5.85 -1.39 -1.30 115.31 118.87 3kjl h LEU 16 Ca 0.01 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 3kjl h LEU 16 Cb 0.44 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3kjl h LEU 16 CO 0.00 0.55 -0.08 -1.13 -0.34 0.00 0.00 178.44 177.45 3kjl h ASN 17 N 0.49 0.40 -0.33 1.25 -0.00 -1.35 -1.61 115.58 114.43 3kjl h ASN 17 Ca 0.13 -0.08 -0.12 0.00 -0.00 0.00 0.00 56.30 56.23 3kjl h ASN 17 Cb 0.18 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.38 3kjl h ASN 17 CO -0.01 0.52 -0.24 -1.13 -0.00 0.00 0.00 177.43 176.57 3kjl h ASN 18 N 0.40 0.79 -0.35 1.15 -0.73 -0.76 -2.03 115.58 114.05 3kjl h ASN 18 Ca 0.08 -0.44 -0.10 0.00 1.87 0.00 0.00 56.30 57.71 3kjl h ASN 18 Cb 0.39 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 3kjl h ASN 18 CO 0.02 1.06 -0.17 -0.07 -0.37 0.00 0.00 177.43 177.90 3kjl h LEU 19 N 0.53 0.76 -0.06 0.34 3.38 -1.03 -2.16 115.31 117.07 3kjl h LEU 19 Ca 0.06 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3kjl h LEU 19 Cb 0.81 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3kjl h LEU 19 CO 0.07 1.00 0.03 -0.07 0.09 0.00 0.00 178.44 179.56 3kjl h LEU 20 N 0.53 0.07 -1.22 1.67 3.38 -1.29 -2.08 115.31 116.37 3kjl h LEU 20 Ca 0.08 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3kjl h LEU 20 Cb 0.71 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3kjl h LEU 20 CO 0.05 0.12 0.41 0.71 0.09 0.00 0.00 178.44 179.83 3kjl h THR 21 N 0.02 1.20 -0.47 0.22 1.35 -1.37 0.00 112.91 113.86 3kjl h THR 21 Ca 0.02 -0.45 0.05 0.00 -0.55 0.00 0.00 66.41 65.49 3kjl h THR 21 Cb 0.07 0.22 -0.05 0.00 -1.73 0.00 0.00 68.15 66.66 3kjl h THR 21 CO -0.00 0.21 0.20 0.74 -0.25 0.00 0.00 175.52 176.41 3kjl h THR 22 N 0.96 0.90 -0.68 6.82 2.02 -1.05 -0.63 112.91 121.25 3kjl h THR 22 Ca 0.25 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.24 3kjl h THR 22 Cb -0.03 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 3kjl h THR 22 CO -0.05 0.07 0.23 -0.07 0.37 0.00 0.00 175.52 176.07 3kjl h LEU 23 N 0.39 0.99 -0.68 2.58 3.38 -0.56 -2.16 115.31 119.25 3kjl h LEU 23 Ca 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3kjl h LEU 23 Cb 0.18 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3kjl h LEU 23 CO -0.19 0.92 0.36 0.40 0.09 0.00 0.00 178.44 180.02 3kjl h ILE 24 N 0.99 1.22 -0.68 1.22 2.04 -0.48 -2.44 117.51 119.38 3kjl h ILE 24 Ca 0.22 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 3kjl h ILE 24 Cb 0.28 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3kjl h ILE 24 CO -0.01 0.24 0.16 1.56 0.00 0.00 0.00 178.15 180.10 3kjl h GLN 25 N 0.93 1.09 -0.40 2.37 4.20 -0.94 -2.13 115.11 120.23 3kjl h GLN 25 Ca 0.24 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3kjl h GLN 25 Cb 0.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3kjl h GLN 25 CO -0.04 0.96 0.25 -0.44 -0.67 0.00 0.00 178.83 178.90 3kjl h ASP 26 N 1.03 0.47 -0.46 1.46 3.32 -1.01 0.22 116.42 121.46 3kjl h ASP 26 Ca 0.22 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 3kjl h ASP 26 Cb 0.36 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3kjl h ASP 26 CO 0.00 0.37 -0.08 0.40 -1.72 0.00 0.00 179.24 178.21 3kjl h ILE 27 N 0.53 1.27 -0.23 0.35 2.04 -1.30 -3.00 117.51 117.18 3kjl h ILE 27 Ca 0.15 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 3kjl h ILE 27 Cb -0.03 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3kjl h ILE 27 CO -0.03 0.41 -0.05 0.58 0.00 0.00 0.00 178.15 179.06 3kjl h VAL 28 N 0.72 1.28 -0.84 1.67 2.07 -1.20 -3.11 116.25 116.84 3kjl h VAL 28 Ca 0.12 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.65 3kjl h VAL 28 Cb 0.62 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 3kjl h VAL 28 CO 0.04 0.32 0.52 0.00 0.02 0.00 0.00 177.57 178.48 3kjl h ALA 29 N 0.76 1.15 -0.39 1.67 0.00 -0.92 0.23 119.26 121.76 3kjl h ALA 29 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3kjl h ALA 29 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kjl h ALA 29 CO 0.02 0.28 0.08 0.00 0.00 0.00 0.00 179.25 179.64 3kjl h ARG 30 N 0.97 0.57 0.00 0.00 3.08 -1.55 -2.96 114.38 114.49 3kjl h ARG 30 Ca 0.36 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3kjl h ARG 30 Cb 0.14 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3kjl h ARG 30 CO -0.16 0.53 -0.78 1.49 -1.07 0.00 0.00 179.97 179.99 3kjl h GLU 31 N 0.56 0.00 -6.70 0.04 4.57 -0.95 -3.47 114.58 108.64 3kjl h GLU 31 Ca 0.13 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.63 3kjl h GLU 31 Cb 0.23 0.00 -0.25 0.00 -0.16 0.00 0.00 28.75 28.57 3kjl h GLU 31 CO -0.00 0.00 -0.87 0.95 -1.18 0.00 0.00 179.01 177.91 3kjl s THR 32 N -3.27 2.11 -2.00 0.32 -4.23 0.62 -5.09 115.64 104.10 3kjl s THR 32 Ca 0.03 -1.47 0.07 0.00 -1.18 0.00 0.00 61.69 59.14 3kjl s THR 32 Cb 0.11 -1.82 0.19 0.00 1.34 0.00 0.00 72.50 72.31 3kjl s THR 32 CO 0.75 0.27 0.86 1.07 -0.54 0.00 0.00 174.62 177.03