#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irq s MET 25 N 0.00 4.32 0.60 9.51 1.75 -1.26 -5.05 119.30 129.18 1irq s MET 25 Ca 0.00 1.12 -0.09 0.00 -1.25 0.00 0.00 55.69 55.46 1irq s MET 25 Cb 0.00 -3.57 0.14 0.00 2.84 0.00 0.00 34.83 34.24 1irq s MET 25 CO 0.00 -0.34 0.82 0.41 -0.65 0.00 0.00 175.02 175.26 1irq n GLY 26 N 3.37 -1.13 3.26 2.11 0.00 -1.26 -5.11 105.19 106.43 1irq n GLY 26 Ca 0.06 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.20 1irq n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1irq s ASP 27 N -4.03 1.81 0.10 1.61 1.01 -1.26 -5.16 116.67 110.76 1irq s ASP 27 Ca 0.47 -1.05 0.06 0.00 0.71 0.00 0.00 52.55 52.74 1irq s ASP 27 Cb -0.01 -0.01 -0.03 0.00 1.01 0.00 0.00 42.92 43.87 1irq s ASP 27 CO 0.33 -0.36 -0.14 -0.54 0.21 0.00 0.00 175.17 174.67 1irq s LYS 28 N -3.76 0.96 0.15 8.23 -0.14 -1.26 -5.15 119.74 118.76 1irq s LYS 28 Ca 0.19 -1.14 -0.11 0.00 -1.36 0.00 0.00 55.97 53.55 1irq s LYS 28 Cb 0.03 -0.89 -0.07 0.00 -1.68 0.00 0.00 37.83 35.23 1irq s LYS 28 CO 0.02 0.18 0.49 0.95 -0.76 0.00 0.00 175.35 176.23 1irq s THR 29 N -1.83 4.98 0.03 2.17 -4.23 -1.26 -5.09 115.64 110.41 1irq s THR 29 Ca 0.05 0.54 -0.02 0.00 -1.18 0.00 0.00 61.69 61.08 1irq s THR 29 Cb -0.07 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 1irq s THR 29 CO 0.03 0.15 0.02 0.68 -0.54 0.00 0.00 174.62 174.96 1irq s VAL 30 N -1.56 0.15 -0.21 2.29 -7.23 -1.26 -5.14 120.40 107.43 1irq s VAL 30 Ca 0.39 -1.20 -0.09 0.00 -1.81 0.00 0.00 61.98 59.27 1irq s VAL 30 Cb -0.13 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 1irq s VAL 30 CO 0.20 -0.66 0.11 -0.13 -0.31 0.00 0.00 175.10 174.30 1irq s ARG 31 N -2.51 4.02 0.11 4.82 1.81 -1.26 -5.09 118.95 120.86 1irq s ARG 31 Ca -0.06 -0.31 0.07 0.00 -1.72 0.00 0.00 55.73 53.72 1irq s ARG 31 Cb -0.02 -3.36 -0.04 0.00 -0.45 0.00 0.00 34.95 31.08 1irq s ARG 31 CO -0.05 0.18 -0.18 0.14 -0.68 0.00 0.00 175.30 174.71 1irq s VAL 32 N 0.68 1.56 0.21 3.52 -7.23 -1.26 -5.10 120.40 112.78 1irq s VAL 32 Ca 0.06 -1.61 -0.32 0.00 -1.81 0.00 0.00 61.98 58.29 1irq s VAL 32 Cb -0.13 -1.53 -0.14 0.00 0.56 0.00 0.00 36.38 35.15 1irq s VAL 32 CO 0.01 -0.21 1.43 0.54 -0.31 0.00 0.00 175.10 176.56 1irq n ARG 33 N 0.85 1.96 0.02 4.82 1.74 -1.26 -4.88 116.66 119.91 1irq n ARG 33 Ca -0.18 0.70 0.02 0.00 -0.77 0.00 0.00 57.85 57.62 1irq n ARG 33 Cb 0.55 -2.37 0.37 0.00 -1.02 0.00 0.00 32.46 29.99 1irq n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1irq h ALA 34 N 4.57 1.55 -0.27 7.54 0.00 -1.99 -1.88 119.26 128.79 1irq h ALA 34 Ca -0.45 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 1irq h ALA 34 Cb 1.28 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1irq h ALA 34 CO 0.78 0.34 -0.53 0.38 0.00 0.00 0.00 179.25 180.23 1irq h ASP 35 N 0.48 0.87 -0.50 0.00 2.03 -1.99 -0.61 116.42 116.70 1irq h ASP 35 Ca 0.12 -0.46 -0.11 0.00 -0.73 0.00 0.00 57.03 55.85 1irq h ASP 35 Cb 0.15 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 38.38 1irq h ASP 35 CO -0.01 1.23 -0.12 -0.07 -1.03 0.00 0.00 179.24 179.24 1irq h LEU 36 N 0.61 0.98 -0.54 0.15 3.38 -1.88 -1.60 115.31 116.41 1irq h LEU 36 Ca 0.02 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1irq h LEU 36 Cb 1.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1irq h LEU 36 CO 0.11 1.10 0.16 -0.74 0.09 0.00 0.00 178.44 179.16 1irq h HIS 37 N 0.87 0.87 -0.62 1.13 2.76 -1.23 -2.05 115.15 116.89 1irq h HIS 37 Ca 0.14 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1irq h HIS 37 Cb 0.67 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 1irq h HIS 37 CO 0.04 0.75 0.40 1.25 -1.30 0.00 0.00 177.93 179.07 1irq h HIS 38 N 0.74 0.79 -0.51 5.26 -0.00 -0.82 0.16 115.15 120.78 1irq h HIS 38 Ca 0.17 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.58 1irq h HIS 38 Cb 0.29 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.40 1irq h HIS 38 CO 0.02 0.51 0.30 0.82 -0.00 0.00 0.00 177.93 179.59 1irq h ILE 39 N 0.84 1.05 -0.49 6.26 2.04 -1.06 -0.32 117.51 125.82 1irq h ILE 39 Ca 0.22 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 1irq h ILE 39 Cb -0.07 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1irq h ILE 39 CO -0.05 0.11 -0.07 0.40 0.00 0.00 0.00 178.15 178.55 1irq h ILE 40 N 0.61 1.27 -0.44 -0.67 1.08 -0.86 -2.35 117.51 116.15 1irq h ILE 40 Ca 0.21 -1.18 0.01 0.00 -0.39 0.00 0.00 64.86 63.51 1irq h ILE 40 Cb 0.03 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1irq h ILE 40 CO -0.10 0.41 0.28 0.50 -0.69 0.00 0.00 178.15 178.56 1irq h LYS 41 N 0.77 0.56 0.19 2.37 3.64 -0.26 0.87 116.57 124.70 1irq h LYS 41 Ca 0.13 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1irq h LYS 41 Cb 0.61 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1irq h LYS 41 CO 0.04 0.37 -0.09 0.82 -2.27 0.00 0.00 179.45 178.32 1irq h ILE 42 N 0.58 0.85 -0.69 2.00 1.08 -1.01 -1.15 117.51 119.18 1irq h ILE 42 Ca 0.16 -0.17 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 1irq h ILE 42 Cb -0.05 0.96 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 1irq h ILE 42 CO -0.05 0.04 0.43 -0.08 -0.69 0.00 0.00 178.15 177.81 1irq h GLU 43 N -0.33 0.83 -0.20 2.37 4.57 -1.25 -2.63 114.58 117.93 1irq h GLU 43 Ca -0.03 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 57.99 1irq h GLU 43 Cb 0.26 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1irq h GLU 43 CO 0.04 0.55 -0.36 1.15 -1.18 0.00 0.00 179.01 179.21 1irq h THR 44 N 0.86 1.29 -0.43 0.32 2.02 -0.76 -2.90 112.91 113.32 1irq h THR 44 Ca 0.27 -1.46 -0.02 0.00 0.77 0.00 0.00 66.41 65.96 1irq h THR 44 Cb -0.01 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1irq h THR 44 CO -0.10 0.45 0.17 0.00 0.37 0.00 0.00 175.52 176.42 1irq h ALA 45 N 1.25 1.50 0.44 6.16 0.00 -0.84 0.13 119.26 127.89 1irq h ALA 45 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1irq h ALA 45 Cb 0.80 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1irq h ALA 45 CO 0.06 0.39 -0.23 0.87 0.00 0.00 0.00 179.25 180.34 1irq h LYS 46 N 0.61 -0.59 -0.52 0.00 1.57 -1.30 -3.23 116.57 113.10 1irq h LYS 46 Ca 0.15 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1irq h LYS 46 Cb 0.12 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1irq h LYS 46 CO -0.02 -0.39 0.24 -2.95 -0.57 0.00 0.00 179.45 175.76 1irq h ASN 47 N -0.61 0.69 0.00 0.86 7.08 -1.59 -3.47 115.58 118.54 1irq h ASN 47 Ca -0.06 -0.14 0.00 0.00 -3.08 0.00 0.00 56.30 53.02 1irq h ASN 47 Cb 0.48 -0.18 0.00 0.00 -2.08 0.00 0.00 38.32 36.54 1irq h ASN 47 CO 0.08 0.64 0.00 0.61 -2.08 0.00 0.00 177.43 176.69 1irq n GLY 48 N -0.88 1.03 0.00 9.14 0.00 0.42 -5.14 105.19 109.77 1irq n GLY 48 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1irq n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1irq n GLY 49 N 0.00 -1.39 3.52 -0.02 0.00 -1.11 -4.96 105.19 101.22 1irq n GLY 49 Ca 0.00 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 1irq n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1irq s ASN 50 N -1.14 4.02 0.35 1.61 4.22 -1.26 -4.65 114.94 118.08 1irq s ASN 50 Ca 0.00 -0.59 0.03 0.00 -2.14 0.00 0.00 52.86 50.16 1irq s ASN 50 Cb 0.00 -0.60 0.65 0.00 1.28 0.00 0.00 41.25 42.57 1irq s ASN 50 CO 0.00 0.14 1.98 0.58 -2.04 0.00 0.00 177.10 177.76 1irq h VAL 51 N 3.17 1.16 -0.81 3.54 2.07 -1.95 -3.00 116.25 120.43 1irq h VAL 51 Ca -0.48 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 66.67 1irq h VAL 51 Cb 1.19 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1irq h VAL 51 CO 0.50 0.18 0.51 0.50 0.02 0.00 0.00 177.57 179.28 1irq h LYS 52 N 0.74 0.95 -0.59 1.57 3.64 -1.99 -0.35 116.57 120.54 1irq h LYS 52 Ca 0.19 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1irq h LYS 52 Cb 0.02 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 1irq h LYS 52 CO -0.03 0.63 0.39 0.93 -2.27 0.00 0.00 179.45 179.09 1irq h GLU 53 N 0.98 0.71 -0.14 1.90 4.39 -1.96 0.49 114.58 120.95 1irq h GLU 53 Ca 0.33 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.90 1irq h GLU 53 Cb 0.06 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1irq h GLU 53 CO -0.13 0.47 -0.27 0.28 -1.16 0.00 0.00 179.01 178.20 1irq h VAL 54 N 0.73 1.37 -0.52 3.13 2.07 -1.33 -1.10 116.25 120.60 1irq h VAL 54 Ca 0.23 -1.54 0.04 0.00 0.82 0.00 0.00 66.70 66.25 1irq h VAL 54 Cb 0.01 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1irq h VAL 54 CO -0.06 0.46 0.27 0.24 0.02 0.00 0.00 177.57 178.50 1irq h MET 55 N 0.03 0.50 -0.65 1.57 2.86 -0.48 0.12 114.93 118.88 1irq h MET 55 Ca 0.00 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1irq h MET 55 Cb 0.86 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1irq h MET 55 CO 0.06 0.33 0.22 -0.44 1.06 0.00 0.00 176.91 178.14 1irq h ASP 56 N 0.52 0.93 -0.42 1.22 3.32 -0.89 -0.86 116.42 120.24 1irq h ASP 56 Ca 0.23 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1irq h ASP 56 Cb 0.13 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1irq h ASP 56 CO -0.16 0.88 -0.02 -0.61 -1.72 0.00 0.00 179.24 177.61 1irq h GLN 57 N 0.93 0.75 -0.24 3.56 4.15 -0.65 0.49 115.11 124.10 1irq h GLN 57 Ca 0.21 -0.25 0.01 0.00 0.77 0.00 0.00 58.65 59.39 1irq h GLN 57 Cb 0.27 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1irq h GLN 57 CO -0.01 0.84 0.14 0.00 -1.93 0.00 0.00 178.83 177.86 1irq h ALA 58 N 0.89 0.30 -0.39 3.38 0.00 -0.62 -0.39 119.26 122.43 1irq h ALA 58 Ca 0.12 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1irq h ALA 58 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1irq h ALA 58 CO 0.03 -0.26 -0.14 1.25 0.00 0.00 0.00 179.25 180.13 1irq h LEU 59 N 0.28 0.80 -0.78 0.00 5.85 -1.05 -2.17 115.31 118.24 1irq h LEU 59 Ca 0.09 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1irq h LEU 59 Cb -0.00 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1irq h LEU 59 CO -0.05 1.00 0.31 -0.08 -0.34 0.00 0.00 178.44 179.28 1irq h GLU 60 N 0.59 1.17 -0.53 1.25 4.81 -0.72 -1.25 114.58 119.91 1irq h GLU 60 Ca 0.09 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1irq h GLU 60 Cb 0.67 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1irq h GLU 60 CO 0.05 0.96 0.08 0.93 -0.73 0.00 0.00 179.01 180.29 1irq h GLU 61 N 1.14 0.84 -0.48 1.92 5.08 -0.98 0.07 114.58 122.17 1irq h GLU 61 Ca 0.26 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1irq h GLU 61 Cb 0.22 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1irq h GLU 61 CO -0.02 0.79 0.19 -0.92 -1.00 0.00 0.00 179.01 178.05 1irq h TYR 62 N 0.80 0.74 -0.24 4.33 5.03 -0.95 -1.88 116.97 124.80 1irq h TYR 62 Ca 0.17 -0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.39 1irq h TYR 62 Cb 0.36 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 1irq h TYR 62 CO 0.02 0.62 0.02 0.82 -1.32 0.00 0.00 178.16 178.32 1irq h ILE 63 N 0.64 1.24 0.00 1.81 2.04 -0.76 -0.01 117.51 122.47 1irq h ILE 63 Ca 0.16 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1irq h ILE 63 Cb 0.19 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1irq h ILE 63 CO -0.01 0.26 -0.12 0.03 0.00 0.00 0.00 178.15 178.31 1irq h ARG 64 N 0.21 0.00 0.00 2.37 3.08 -0.91 0.60 114.38 119.73 1irq h ARG 64 Ca 0.07 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1irq h ARG 64 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1irq h ARG 64 CO 0.01 0.12 -0.32 -0.22 -1.07 0.00 0.00 179.97 178.49 1irq h LYS 65 N 0.00 0.00 0.00 0.04 3.64 -1.05 -3.34 116.57 115.86 1irq h LYS 65 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1irq h LYS 65 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1irq h LYS 65 CO 0.02 0.88 -1.54 0.66 -2.27 0.00 0.00 179.45 177.20 1irq n TYR 66 N -4.58 0.05 -2.87 1.91 4.01 -0.04 -4.55 117.16 111.07 1irq n TYR 66 Ca -0.14 0.01 -0.19 0.00 -0.16 0.00 0.00 57.90 57.42 1irq n TYR 66 Cb 0.48 -0.33 -0.01 0.00 -0.31 0.00 0.00 39.34 39.17 1irq n TYR 66 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1irq n LEU 67 N -1.98 2.51 -4.74 7.72 4.77 0.21 -5.04 117.00 120.46 1irq n LEU 67 Ca -0.01 -4.88 -0.38 0.00 -0.03 0.00 0.00 56.01 50.72 1irq n LEU 67 Cb 0.47 0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.76 1irq n LEU 67 CO 0.44 2.11 0.95 -2.16 -1.33 0.00 0.00 177.39 177.40 1irq s PRO 68 N -3.04 2.79 0.00 3.23 0.04 -1.14 -2.72 135.00 134.16 1irq s PRO 68 Ca 0.40 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1irq s PRO 68 Cb 0.37 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.89 1irq s PRO 68 CO -0.08 -1.44 0.00 -0.25 0.04 0.00 0.00 177.00 175.27 1irq n ASP 69 N -1.54 0.00 0.18 6.66 8.00 -1.26 -4.86 116.55 123.74 1irq n ASP 69 Ca 0.14 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.71 1irq n ASP 69 Cb 0.47 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.73 1irq n ASP 69 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1irq h LYS 70 N 2.62 0.00 -0.01 -1.24 6.56 -1.86 -3.54 116.57 119.09 1irq h LYS 70 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1irq h LYS 70 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1irq h LYS 70 CO 0.00 0.29 0.00 1.28 -2.06 0.00 0.00 179.45 178.96