#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cax n GLY 26 N 0.00 3.60 3.52 3.03 0.00 -1.26 -5.16 105.19 108.91 2cax n GLY 26 Ca 0.00 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 2cax n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cax s ASP 27 N 1.00 3.97 0.34 1.61 1.01 -1.26 -5.15 116.67 118.20 2cax s ASP 27 Ca 0.00 -0.68 0.07 0.00 0.71 0.00 0.00 52.55 52.66 2cax s ASP 27 Cb 0.00 -0.56 -0.07 0.00 1.01 0.00 0.00 42.92 43.30 2cax s ASP 27 CO 0.00 0.11 -0.03 -0.75 0.21 0.00 0.00 175.17 174.71 2cax s LYS 28 N -2.77 1.75 -0.02 8.23 2.47 -1.26 -5.16 119.74 122.99 2cax s LYS 28 Ca 0.23 -1.94 0.04 0.00 -1.56 0.00 0.00 55.97 52.75 2cax s LYS 28 Cb -0.08 -1.40 -0.03 0.00 -1.46 0.00 0.00 37.83 34.86 2cax s LYS 28 CO 0.13 0.01 -0.13 0.95 0.16 0.00 0.00 175.35 176.48 2cax s THR 29 N -2.86 3.19 -0.00 3.43 -4.23 -1.26 -5.12 115.64 108.79 2cax s THR 29 Ca 0.33 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 2cax s THR 29 Cb 0.06 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.59 2cax s THR 29 CO 0.15 0.48 -0.00 -0.69 -0.54 0.00 0.00 174.62 174.03 2cax s VAL 30 N -0.85 0.02 -0.20 2.29 1.01 -1.26 -5.13 120.40 116.29 2cax s VAL 30 Ca 0.14 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 2cax s VAL 30 Cb -0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 2cax s VAL 30 CO 0.03 0.02 0.66 -0.13 0.00 0.00 0.00 175.10 175.68 2cax s ARG 31 N 0.10 4.21 0.24 2.72 1.81 -1.26 -5.08 118.95 121.70 2cax s ARG 31 Ca -0.01 0.67 0.09 0.00 -1.72 0.00 0.00 55.73 54.76 2cax s ARG 31 Cb -0.01 -3.59 -0.05 0.00 -0.45 0.00 0.00 34.95 30.85 2cax s ARG 31 CO -0.00 -0.27 -0.15 0.14 -0.68 0.00 0.00 175.30 174.33 2cax s VAL 32 N 2.02 1.98 -0.17 3.52 -7.23 -1.26 -5.08 120.40 114.18 2cax s VAL 32 Ca 0.30 -2.26 -0.39 0.00 -1.81 0.00 0.00 61.98 57.81 2cax s VAL 32 Cb -0.16 -2.20 -0.16 0.00 0.56 0.00 0.00 36.38 34.42 2cax s VAL 32 CO 0.10 -0.48 1.59 0.54 -0.31 0.00 0.00 175.10 176.55 2cax n ARG 33 N -0.50 1.07 0.24 4.82 1.74 -1.26 -4.81 116.66 117.96 2cax n ARG 33 Ca -0.07 0.39 0.06 0.00 -0.77 0.00 0.00 57.85 57.47 2cax n ARG 33 Cb 0.61 -2.05 0.55 0.00 -1.02 0.00 0.00 32.46 30.55 2cax n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cax h ALA 34 N 6.18 1.77 0.00 7.54 0.00 -1.98 -1.59 119.26 131.18 2cax h ALA 34 Ca -0.47 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 2cax h ALA 34 Cb 1.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2cax h ALA 34 CO 0.90 0.16 -0.34 0.38 0.00 0.00 0.00 179.25 180.34 2cax h ASP 35 N 0.00 0.00 0.10 0.00 2.03 -1.99 0.36 116.42 116.91 2cax h ASP 35 Ca -0.00 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.07 2cax h ASP 35 Cb 0.23 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.73 2cax h ASP 35 CO 0.02 0.34 -1.16 -0.07 -1.03 0.00 0.00 179.24 177.34 2cax h LEU 36 N 0.00 0.33 -1.39 0.15 3.38 -1.69 -3.17 115.31 112.92 2cax h LEU 36 Ca -0.00 -0.85 0.16 0.00 0.09 0.00 0.00 57.88 57.27 2cax h LEU 36 Cb 0.81 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 2cax h LEU 36 CO 0.04 1.51 0.56 -0.74 0.09 0.00 0.00 178.44 179.91 2cax h HIS 37 N -0.44 0.69 0.61 1.13 2.76 -1.31 -1.75 115.15 116.84 2cax h HIS 37 Ca -0.25 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 57.91 2cax h HIS 37 Cb 1.63 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 30.37 2cax h HIS 37 CO 0.15 0.24 -0.36 1.25 -1.30 0.00 0.00 177.93 177.91 2cax h HIS 38 N 0.57 -0.96 -0.97 5.26 -0.00 -1.00 -1.79 115.15 116.26 2cax h HIS 38 Ca 0.44 -0.01 0.26 0.00 -0.00 0.00 0.00 60.37 61.06 2cax h HIS 38 Cb 0.84 0.34 -0.13 0.00 -0.00 0.00 0.00 27.41 28.46 2cax h HIS 38 CO -0.00 -0.56 0.51 0.82 -0.00 0.00 0.00 177.93 178.70 2cax h ILE 39 N -0.92 0.44 -0.11 6.26 2.04 -1.31 -0.67 117.51 123.23 2cax h ILE 39 Ca -0.08 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 65.47 2cax h ILE 39 Cb 0.74 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2cax h ILE 39 CO 0.09 0.08 -0.64 0.40 0.00 0.00 0.00 178.15 178.07 2cax h ILE 40 N 0.44 1.36 0.53 -0.67 1.08 -1.03 -2.39 117.51 116.83 2cax h ILE 40 Ca 0.64 -1.98 -0.03 0.00 -0.39 0.00 0.00 64.86 63.10 2cax h ILE 40 Cb 1.30 1.97 0.01 0.00 -3.07 0.00 0.00 36.82 37.03 2cax h ILE 40 CO -0.54 0.60 -0.26 0.11 -0.69 0.00 0.00 178.15 177.38 2cax h LYS 41 N 0.31 -0.69 -0.51 2.37 1.57 -0.27 -1.26 116.57 118.10 2cax h LYS 41 Ca -0.01 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.92 2cax h LYS 41 Cb 1.19 0.16 -0.10 0.00 0.08 0.00 0.00 32.23 33.56 2cax h LYS 41 CO 0.11 -0.45 -0.16 0.82 -0.57 0.00 0.00 179.45 179.21 2cax h ILE 42 N -0.74 0.44 -0.04 1.86 1.08 -1.37 0.18 117.51 118.91 2cax h ILE 42 Ca -0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2cax h ILE 42 Cb 0.56 0.44 -0.00 0.00 -3.07 0.00 0.00 36.82 34.75 2cax h ILE 42 CO 0.12 0.00 0.01 -0.08 -0.69 0.00 0.00 178.15 177.51 2cax h GLU 43 N -0.03 0.07 0.00 2.37 4.57 -1.36 -0.02 114.58 120.18 2cax h GLU 43 Ca 0.24 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.34 2cax h GLU 43 Cb 0.41 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2cax h GLU 43 CO -0.54 0.31 -0.28 1.79 -1.18 0.00 0.00 179.01 179.11 2cax h THR 44 N -0.18 1.10 -0.31 0.32 1.35 -0.68 0.29 112.91 114.81 2cax h THR 44 Ca 0.01 -1.01 -0.05 0.00 -0.55 0.00 0.00 66.41 64.82 2cax h THR 44 Cb 0.28 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 2cax h THR 44 CO 0.00 0.28 -0.01 0.00 -0.25 0.00 0.00 175.52 175.54 2cax h ALA 45 N 1.72 0.41 0.02 6.62 0.00 -0.46 -3.32 119.26 124.25 2cax h ALA 45 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2cax h ALA 45 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2cax h ALA 45 CO 0.04 0.17 -0.01 -0.22 0.00 0.00 0.00 179.25 179.23 2cax h LYS 46 N 0.34 -0.03 0.00 0.00 3.64 0.70 -3.45 116.57 117.77 2cax h LYS 46 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2cax h LYS 46 Cb 0.45 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2cax h LYS 46 CO 0.02 0.64 0.00 0.09 -2.27 0.00 0.00 179.45 177.92 2cax n ASN 47 N -4.70 0.00 -4.85 4.20 5.03 0.86 -5.09 115.26 110.71 2cax n ASN 47 Ca -0.07 -0.07 -0.29 0.00 0.87 0.00 0.00 54.58 55.02 2cax n ASN 47 Cb 0.33 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 39.18 2cax n ASN 47 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2cax s GLY 48 N -1.07 1.60 0.00 7.41 0.00 -1.26 -4.48 107.32 109.51 2cax s GLY 48 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.22 2cax s GLY 48 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.68 2cax n GLY 49 N -2.81 0.52 3.61 0.20 0.00 -1.25 -4.33 105.19 101.13 2cax n GLY 49 Ca 0.07 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 2cax n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cax s ASN 50 N -4.00 -0.16 0.25 1.61 4.22 -1.26 -4.86 114.94 110.73 2cax s ASN 50 Ca 0.00 -0.75 -0.03 0.00 -2.14 0.00 0.00 52.86 49.94 2cax s ASN 50 Cb 0.00 0.61 0.29 0.00 1.28 0.00 0.00 41.25 43.43 2cax s ASN 50 CO 0.00 -1.15 1.76 0.58 -2.04 0.00 0.00 177.10 176.25 2cax h VAL 51 N 2.20 1.24 -0.55 3.54 2.07 -1.99 -2.81 116.25 119.96 2cax h VAL 51 Ca -0.26 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 2cax h VAL 51 Cb 1.25 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2cax h VAL 51 CO 0.34 0.35 0.07 0.50 0.02 0.00 0.00 177.57 178.85 2cax h LYS 52 N 0.85 0.93 -0.55 1.57 3.64 -2.00 -2.50 116.57 118.52 2cax h LYS 52 Ca 0.17 -0.26 0.10 0.00 -1.27 0.00 0.00 60.65 59.39 2cax h LYS 52 Cb 0.40 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 2cax h LYS 52 CO 0.01 0.91 0.11 0.93 -2.27 0.00 0.00 179.45 179.14 2cax h GLU 53 N 0.82 0.24 -0.39 1.90 5.08 -1.92 -0.10 114.58 120.21 2cax h GLU 53 Ca 0.17 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2cax h GLU 53 Cb 0.44 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2cax h GLU 53 CO 0.01 0.16 0.06 0.28 -1.00 0.00 0.00 179.01 178.52 2cax h VAL 54 N 0.25 1.24 0.28 3.13 2.07 -1.42 -1.43 116.25 120.38 2cax h VAL 54 Ca 0.28 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2cax h VAL 54 Cb 0.40 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2cax h VAL 54 CO -0.37 0.29 -0.24 0.24 0.02 0.00 0.00 177.57 177.52 2cax h MET 55 N 0.49 -0.52 -0.66 1.57 2.86 -0.99 0.50 114.93 118.17 2cax h MET 55 Ca 0.12 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.90 2cax h MET 55 Cb 0.37 0.12 -0.08 0.00 0.06 0.00 0.00 31.60 32.07 2cax h MET 55 CO 0.01 -0.35 0.26 -0.44 1.06 0.00 0.00 176.91 177.45 2cax h ASP 56 N -0.54 0.27 0.16 1.22 3.32 -0.83 0.11 116.42 120.12 2cax h ASP 56 Ca -0.01 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2cax h ASP 56 Cb 0.49 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2cax h ASP 56 CO -0.03 0.14 -0.08 -0.61 -1.72 0.00 0.00 179.24 176.95 2cax h GLN 57 N 0.45 -0.21 -0.71 3.56 4.15 -0.96 -2.04 115.11 119.35 2cax h GLN 57 Ca 0.34 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.93 2cax h GLN 57 Cb 0.44 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 28.08 2cax h GLN 57 CO -0.33 0.15 0.17 0.00 -1.93 0.00 0.00 178.83 176.89 2cax h ALA 58 N 0.14 0.89 -0.32 3.38 0.00 0.71 0.14 119.26 124.21 2cax h ALA 58 Ca -0.02 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2cax h ALA 58 Cb 0.45 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2cax h ALA 58 CO 0.04 -0.33 -0.13 1.25 0.00 0.00 0.00 179.25 180.08 2cax h LEU 59 N 0.27 0.67 -0.57 0.00 6.46 -0.82 -0.72 115.31 120.60 2cax h LEU 59 Ca 0.39 -0.39 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2cax h LEU 59 Cb 0.65 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 2cax h LEU 59 CO -0.49 0.91 0.28 -0.08 -0.62 0.00 0.00 178.44 178.44 2cax h GLU 60 N 0.42 0.82 -0.39 1.25 4.81 -0.45 0.33 114.58 121.38 2cax h GLU 60 Ca 0.08 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 2cax h GLU 60 Cb 0.65 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2cax h GLU 60 CO 0.04 0.67 -0.12 0.93 -0.73 0.00 0.00 179.01 179.80 2cax h GLU 61 N 0.78 0.70 0.53 1.92 5.08 -0.68 -0.57 114.58 122.32 2cax h GLU 61 Ca 0.20 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2cax h GLU 61 Cb 0.12 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.31 2cax h GLU 61 CO -0.03 0.80 -0.25 -0.92 -1.00 0.00 0.00 179.01 177.61 2cax h TYR 62 N 0.63 -0.66 -1.00 4.33 5.03 -0.67 -2.09 116.97 122.54 2cax h TYR 62 Ca 0.11 -0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.49 2cax h TYR 62 Cb 0.58 0.22 -0.07 0.00 1.55 0.00 0.00 36.73 39.00 2cax h TYR 62 CO 0.03 -0.35 0.64 0.82 -1.32 0.00 0.00 178.16 177.98 2cax h ILE 63 N -0.85 1.03 -0.30 1.81 2.04 -0.10 0.39 117.51 121.53 2cax h ILE 63 Ca -0.07 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.41 2cax h ILE 63 Cb 0.60 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2cax h ILE 63 CO 0.12 0.20 0.18 0.03 0.00 0.00 0.00 178.15 178.68 2cax h ARG 64 N 1.11 0.36 -0.59 2.37 3.08 -1.12 0.40 114.38 119.99 2cax h ARG 64 Ca 0.46 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.43 2cax h ARG 64 Cb 0.28 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2cax h ARG 64 CO -0.21 0.24 0.16 -0.22 -1.07 0.00 0.00 179.97 178.87 2cax h LYS 65 N 0.38 0.94 0.00 0.04 3.64 -0.24 -3.26 116.57 118.06 2cax h LYS 65 Ca 0.12 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2cax h LYS 65 Cb -0.02 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2cax h LYS 65 CO -0.04 0.85 -0.99 0.66 -2.27 0.00 0.00 179.45 177.66 2cax n TYR 66 N -4.38 0.00 -2.82 1.91 4.01 -0.47 -4.78 117.16 110.64 2cax n TYR 66 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.64 2cax n TYR 66 Cb 0.23 -0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.20 2cax n TYR 66 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2cax n LEU 67 N -1.53 1.48 -0.06 7.72 4.77 0.14 -4.98 117.00 124.54 2cax n LEU 67 Ca -0.00 -4.21 -0.11 0.00 -0.03 0.00 0.00 56.01 51.66 2cax n LEU 67 Cb 0.09 0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2cax n LEU 67 CO 0.08 1.83 0.86 1.55 -1.33 0.00 0.00 177.39 180.38 2cax h PRO 68 N 2.98 0.32 -0.12 3.23 0.13 -1.55 -2.04 132.00 134.94 2cax h PRO 68 Ca -0.02 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 2cax h PRO 68 Cb 1.09 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2cax h PRO 68 CO 0.52 0.37 -0.03 -0.40 -0.23 0.00 0.00 178.00 178.23 2cax n ASP 69 N -4.82 -0.05 -4.47 1.44 5.68 -1.26 -3.57 116.55 109.50 2cax n ASP 69 Ca -0.04 0.22 -0.28 0.00 -0.50 0.00 0.00 54.79 54.19 2cax n ASP 69 Cb 0.12 -0.06 -0.07 0.00 -1.14 0.00 0.00 41.12 39.97 2cax n ASP 69 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2cax n LYS 70 N -4.20 1.37 0.00 0.11 4.76 -0.77 -5.23 118.16 114.21 2cax n LYS 70 Ca 0.02 -2.29 0.14 0.00 -2.87 0.00 0.00 58.31 53.31 2cax n LYS 70 Cb 0.06 -3.67 0.60 0.00 -1.84 0.00 0.00 35.03 30.18 2cax n LYS 70 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92