#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irq s ILE 24 N 0.00 3.77 -0.29 0.53 -4.36 -1.26 -5.06 121.20 114.53 1irq s ILE 24 Ca 0.00 0.89 -0.17 0.00 -0.26 0.00 0.00 60.65 61.10 1irq s ILE 24 Cb 0.00 -3.38 0.13 0.00 1.25 0.00 0.00 42.46 40.46 1irq s ILE 24 CO 0.00 -0.44 0.95 -0.32 0.24 0.00 0.00 174.94 175.36 1irq s MET 25 N -3.91 0.44 0.66 0.37 1.75 -1.26 -5.18 119.30 112.18 1irq s MET 25 Ca 0.65 0.72 0.04 0.00 -1.25 0.00 0.00 55.69 55.85 1irq s MET 25 Cb -0.16 0.11 0.12 0.00 2.84 0.00 0.00 34.83 37.73 1irq s MET 25 CO 0.34 -0.09 0.92 0.20 -0.65 0.00 0.00 175.02 175.74 1irq s GLY 26 N 1.20 1.74 0.34 2.11 0.00 -1.26 -5.12 107.32 106.32 1irq s GLY 26 Ca -0.07 -1.98 0.09 0.00 0.00 0.00 0.00 44.72 42.76 1irq s GLY 26 CO -0.14 -1.44 -0.02 0.99 0.00 0.00 0.00 173.10 172.49 1irq s ASP 27 N -4.73 4.04 -0.01 1.64 1.01 -1.26 -5.14 116.67 112.22 1irq s ASP 27 Ca 0.65 -1.04 0.05 0.00 0.71 0.00 0.00 52.55 52.91 1irq s ASP 27 Cb -0.05 -0.48 -0.01 0.00 1.01 0.00 0.00 42.92 43.39 1irq s ASP 27 CO 0.42 -0.22 -0.16 -0.75 0.21 0.00 0.00 175.17 174.68 1irq s LYS 28 N -3.68 1.26 -0.08 8.23 2.47 -1.26 -5.12 119.74 121.56 1irq s LYS 28 Ca 0.34 -0.56 -0.25 0.00 -1.56 0.00 0.00 55.97 53.94 1irq s LYS 28 Cb 0.00 -1.22 -0.03 0.00 -1.46 0.00 0.00 37.83 35.12 1irq s LYS 28 CO 0.18 0.33 0.76 0.99 0.16 0.00 0.00 175.35 177.78 1irq s THR 29 N -0.38 5.00 0.24 3.43 2.01 -1.26 -5.04 115.64 119.63 1irq s THR 29 Ca 0.06 1.55 0.02 0.00 0.31 0.00 0.00 61.69 63.63 1irq s THR 29 Cb -0.06 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1irq s THR 29 CO -0.01 0.20 0.07 0.68 -0.69 0.00 0.00 174.62 174.87 1irq s VAL 30 N 1.09 0.62 0.06 3.82 -7.23 -1.26 -5.16 120.40 112.34 1irq s VAL 30 Ca 0.39 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.62 1irq s VAL 30 Cb -0.18 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1irq s VAL 30 CO 0.18 -0.13 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.61 1irq s ARG 31 N -3.99 2.28 0.03 4.82 3.00 -1.26 -5.13 118.95 118.70 1irq s ARG 31 Ca 0.34 -0.91 -0.01 0.00 0.00 0.00 0.00 55.73 55.14 1irq s ARG 31 Cb 0.07 -2.37 -0.02 0.00 0.00 0.00 0.00 34.95 32.63 1irq s ARG 31 CO 0.11 0.54 -0.00 0.14 0.00 0.00 0.00 175.30 176.09 1irq s VAL 32 N -1.11 0.15 0.16 3.52 -7.23 -1.26 -5.12 120.40 109.51 1irq s VAL 32 Ca 0.19 -1.21 -0.33 0.00 -1.81 0.00 0.00 61.98 58.82 1irq s VAL 32 Cb -0.11 -0.77 -0.16 0.00 0.56 0.00 0.00 36.38 35.90 1irq s VAL 32 CO 0.11 -0.67 1.11 0.54 -0.31 0.00 0.00 175.10 175.88 1irq n ARG 33 N 0.99 0.99 -0.17 4.82 1.74 -1.26 -4.79 116.66 118.98 1irq n ARG 33 Ca -0.20 0.35 0.01 0.00 -0.77 0.00 0.00 57.85 57.24 1irq n ARG 33 Cb 0.57 -1.81 0.28 0.00 -1.02 0.00 0.00 32.46 30.48 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 3.15 1.50 -0.29 7.54 0.00 -2.00 -1.30 119.26 127.86 1irq h ALA 34 Ca -0.43 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1irq h ALA 34 Cb 1.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1irq h ALA 34 CO 0.69 0.46 -0.28 0.38 0.00 0.00 0.00 179.25 180.50 1irq h ASP 35 N 0.93 0.60 -0.27 0.00 2.03 -1.99 0.83 116.42 118.55 1irq h ASP 35 Ca 0.25 -0.22 -0.11 0.00 -0.73 0.00 0.00 57.03 56.22 1irq h ASP 35 Cb -0.10 -0.17 -0.00 0.00 -0.83 0.00 0.00 39.33 38.23 1irq h ASP 35 CO -0.05 0.86 -0.25 -0.07 -1.03 0.00 0.00 179.24 178.70 1irq h LEU 36 N 0.51 0.68 -0.52 0.15 3.38 -1.81 -2.71 115.31 115.00 1irq h LEU 36 Ca 0.07 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1irq h LEU 36 Cb 0.75 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1irq h LEU 36 CO 0.06 1.01 0.31 -0.74 0.09 0.00 0.00 178.44 179.16 1irq h HIS 37 N 0.37 0.68 -0.74 1.13 2.76 -1.01 -2.72 115.15 115.63 1irq h HIS 37 Ca 0.04 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1irq h HIS 37 Cb 0.81 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.49 1irq h HIS 37 CO 0.07 0.48 0.43 1.25 -1.30 0.00 0.00 177.93 178.86 1irq h HIS 38 N 0.69 0.79 -0.48 5.26 -0.00 -0.78 -0.31 115.15 120.32 1irq h HIS 38 Ca 0.18 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.60 1irq h HIS 38 Cb 0.00 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.13 1irq h HIS 38 CO -0.02 0.39 0.30 0.82 -0.00 0.00 0.00 177.93 179.41 1irq h ILE 39 N 0.79 1.07 -0.32 6.26 2.04 -1.18 -1.09 117.51 125.10 1irq h ILE 39 Ca 0.33 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.83 1irq h ILE 39 Cb 0.18 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1irq h ILE 39 CO -0.18 0.11 -0.41 0.40 0.00 0.00 0.00 178.15 178.07 1irq h ILE 40 N 0.60 1.28 -0.49 -0.67 1.08 -1.24 -2.71 117.51 115.36 1irq h ILE 40 Ca 0.19 -1.59 0.07 0.00 -0.39 0.00 0.00 64.86 63.13 1irq h ILE 40 Cb -0.01 1.54 -0.06 0.00 -3.07 0.00 0.00 36.82 35.22 1irq h ILE 40 CO -0.07 0.52 0.17 0.50 -0.69 0.00 0.00 178.15 178.58 1irq h LYS 41 N 0.62 0.33 -0.58 2.37 3.64 -0.82 -0.60 116.57 121.53 1irq h LYS 41 Ca 0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1irq h LYS 41 Cb 1.01 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 1irq h LYS 41 CO 0.10 0.22 0.31 0.82 -2.27 0.00 0.00 179.45 178.62 1irq h ILE 42 N 0.34 1.20 -0.29 2.00 1.08 -1.16 -1.82 117.51 118.86 1irq h ILE 42 Ca 0.24 -0.52 -0.05 0.00 -0.39 0.00 0.00 64.86 64.14 1irq h ILE 42 Cb 0.26 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1irq h ILE 42 CO -0.25 0.22 0.00 -0.33 -0.69 0.00 0.00 178.15 177.10 1irq h GLU 43 N 0.79 0.52 0.00 2.37 4.39 -1.07 -2.88 114.58 118.70 1irq h GLU 43 Ca 0.20 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1irq h GLU 43 Cb 0.07 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1irq h GLU 43 CO -0.03 0.67 0.00 1.79 -1.16 0.00 0.00 179.01 180.28 1irq h THR 44 N 0.31 0.00 0.00 1.13 1.35 -1.08 -2.76 112.91 111.86 1irq h THR 44 Ca 0.08 -0.35 -0.12 0.00 -0.55 0.00 0.00 66.41 65.48 1irq h THR 44 Cb 0.43 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 1irq h THR 44 CO 0.01 0.00 -0.69 0.00 -0.25 0.00 0.00 175.52 174.59 1irq h ALA 45 N 2.25 0.66 -0.61 6.62 0.00 -1.12 -3.37 119.26 123.69 1irq h ALA 45 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1irq h ALA 45 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1irq h ALA 45 CO 0.00 0.68 0.00 1.63 0.00 0.00 0.00 179.25 181.56 1irq n LYS 46 N -3.16 0.00 0.00 0.00 5.02 -1.04 -4.92 118.16 114.07 1irq n LYS 46 Ca -0.00 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1irq n LYS 46 Cb 0.76 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1irq n LYS 46 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1irq n ASN 47 N -1.97 0.00 -4.89 4.39 5.03 -1.26 -5.12 115.26 111.45 1irq n ASN 47 Ca 0.00 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.10 1irq n ASN 47 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 38.71 1irq n ASN 47 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1irq s GLY 48 N -0.85 2.22 0.00 7.41 0.00 -1.26 -5.01 107.32 109.82 1irq s GLY 48 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.09 1irq s GLY 48 CO 0.00 -0.45 0.00 0.61 0.00 0.00 0.00 173.10 173.26 1irq n GLY 49 N 1.21 4.28 3.11 0.20 0.00 -1.26 -4.63 105.19 108.10 1irq n GLY 49 Ca -0.12 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 1irq n GLY 49 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1irq s ASN 50 N 0.00 -0.33 0.21 1.61 3.84 -1.26 -4.81 114.94 114.20 1irq s ASN 50 Ca 0.00 0.62 -0.09 0.00 0.21 0.00 0.00 52.86 53.60 1irq s ASN 50 Cb 0.00 0.50 0.28 0.00 -0.55 0.00 0.00 41.25 41.48 1irq s ASN 50 CO 0.00 -0.17 1.76 0.58 -2.79 0.00 0.00 177.10 176.48 1irq h VAL 51 N 5.76 0.83 -0.34 -5.21 2.07 -1.95 -1.74 116.25 115.67 1irq h VAL 51 Ca -0.39 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1irq h VAL 51 Cb 1.16 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1irq h VAL 51 CO 0.35 0.09 0.14 0.50 0.02 0.00 0.00 177.57 178.67 1irq h LYS 52 N 0.50 0.29 -0.96 1.57 3.64 -1.99 0.25 116.57 119.87 1irq h LYS 52 Ca 0.31 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1irq h LYS 52 Cb 0.34 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 1irq h LYS 52 CO -0.27 0.19 0.64 0.93 -2.27 0.00 0.00 179.45 178.67 1irq h GLU 53 N 0.30 1.26 -0.34 1.90 4.39 -1.82 0.19 114.58 120.46 1irq h GLU 53 Ca 0.15 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 1irq h GLU 53 Cb 0.10 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 1irq h GLU 53 CO -0.14 0.83 0.02 0.28 -1.16 0.00 0.00 179.01 178.85 1irq h VAL 54 N 1.30 1.25 -0.55 3.13 2.07 -0.74 -1.63 116.25 121.08 1irq h VAL 54 Ca 0.36 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1irq h VAL 54 Cb -0.14 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1irq h VAL 54 CO -0.08 0.30 0.36 -0.03 0.02 0.00 0.00 177.57 178.14 1irq h MET 55 N 0.40 0.71 -0.57 1.57 1.85 -0.31 0.16 114.93 118.73 1irq h MET 55 Ca 0.10 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.13 1irq h MET 55 Cb 0.41 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 32.25 1irq h MET 55 CO 0.01 0.47 0.30 -0.44 -0.40 0.00 0.00 176.91 176.85 1irq h ASP 56 N 0.73 0.73 -0.69 1.39 3.32 -0.87 0.21 116.42 121.24 1irq h ASP 56 Ca 0.21 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1irq h ASP 56 Cb -0.06 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1irq h ASP 56 CO -0.06 0.63 0.20 -0.61 -1.72 0.00 0.00 179.24 177.68 1irq h GLN 57 N 0.77 1.08 -0.63 3.56 4.15 -0.80 -0.40 115.11 122.84 1irq h GLN 57 Ca 0.20 -0.24 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1irq h GLN 57 Cb 0.07 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 1irq h GLN 57 CO -0.03 0.94 0.29 0.00 -1.93 0.00 0.00 178.83 178.10 1irq h ALA 58 N 1.09 0.82 0.00 3.38 0.00 -0.15 -0.94 119.26 123.46 1irq h ALA 58 Ca 0.22 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1irq h ALA 58 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1irq h ALA 58 CO -0.00 0.40 -0.39 1.25 0.00 0.00 0.00 179.25 180.51 1irq h LEU 59 N 0.88 0.00 -0.09 0.00 5.85 -0.70 -1.56 115.31 119.69 1irq h LEU 59 Ca 0.22 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 1irq h LEU 59 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1irq h LEU 59 CO -0.02 0.39 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.95 1irq h GLU 60 N 0.00 0.27 -0.51 1.25 5.08 -0.51 -2.19 114.58 117.97 1irq h GLU 60 Ca -0.00 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1irq h GLU 60 Cb 0.86 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1irq h GLU 60 CO 0.05 0.78 0.06 0.93 -1.00 0.00 0.00 179.01 179.83 1irq h GLU 61 N -0.19 0.81 -0.38 2.33 5.08 -1.10 -0.34 114.58 120.79 1irq h GLU 61 Ca 0.00 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1irq h GLU 61 Cb 0.77 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1irq h GLU 61 CO 0.04 0.78 0.16 -0.92 -1.00 0.00 0.00 179.01 178.07 1irq h TYR 62 N 0.77 0.57 -0.35 4.33 5.03 -1.28 -0.87 116.97 125.17 1irq h TYR 62 Ca 0.16 -0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.41 1irq h TYR 62 Cb 0.38 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.47 1irq h TYR 62 CO 0.02 0.51 0.15 0.82 -1.32 0.00 0.00 178.16 178.33 1irq h ILE 63 N 0.47 1.18 -0.07 1.81 2.04 -0.94 0.70 117.51 122.69 1irq h ILE 63 Ca 0.13 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1irq h ILE 63 Cb 0.17 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1irq h ILE 63 CO -0.01 0.19 -0.03 -0.09 0.00 0.00 0.00 178.15 178.21 1irq h ARG 64 N 0.41 0.10 0.02 2.37 2.43 -0.89 0.31 114.38 119.14 1irq h ARG 64 Ca 0.12 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 1irq h ARG 64 Cb 0.17 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1irq h ARG 64 CO -0.01 0.14 -0.53 -0.22 -1.51 0.00 0.00 179.97 177.84 1irq h LYS 65 N 0.10 0.04 0.00 0.20 3.64 -0.66 -3.35 116.57 116.53 1irq h LYS 65 Ca 0.02 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.16 1irq h LYS 65 Cb 0.12 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1irq h LYS 65 CO 0.00 1.03 -2.02 0.66 -2.27 0.00 0.00 179.45 176.86 1irq n TYR 66 N -4.47 0.21 -2.75 1.91 4.01 0.19 -4.57 117.16 111.69 1irq n TYR 66 Ca -0.18 0.07 -0.22 0.00 -0.16 0.00 0.00 57.90 57.41 1irq n TYR 66 Cb 0.59 -0.81 -0.01 0.00 -0.31 0.00 0.00 39.34 38.80 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 -2.57 3.42 0.31 7.72 4.77 0.11 -4.88 117.00 125.87 1irq n LEU 67 Ca -0.16 -5.01 0.18 0.00 -0.03 0.00 0.00 56.01 50.99 1irq n LEU 67 Cb 0.85 -0.13 1.02 0.00 -2.33 0.00 0.00 43.42 42.83 1irq n LEU 67 CO 0.44 2.14 1.14 1.55 -1.33 0.00 0.00 177.39 181.33 1irq h PRO 68 N 2.84 0.00 -0.85 3.23 0.13 -1.63 -2.79 132.00 132.93 1irq h PRO 68 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1irq h PRO 68 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1irq h PRO 68 CO 0.72 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 178.10 1irq n ASP 69 N -3.51 0.80 -0.10 1.44 3.85 -1.26 -2.88 116.55 114.89 1irq n ASP 69 Ca -0.03 -0.93 -0.23 0.00 -0.71 0.00 0.00 54.79 52.89 1irq n ASP 69 Cb 0.09 -0.23 -0.12 0.00 -1.35 0.00 0.00 41.12 39.52 1irq n ASP 69 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1irq n LYS 70 N 0.45 0.60 0.00 0.11 4.81 -1.05 -5.25 118.16 117.82 1irq n LYS 70 Ca 0.00 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1irq n LYS 70 Cb 0.16 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.51 1irq n LYS 70 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04