#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apq h VAL 24 N 0.00 1.25 -3.48 0.00 3.04 -1.92 -3.43 116.25 111.71 1apq h VAL 24 Ca 0.00 -1.00 -0.30 0.00 -1.01 0.00 0.00 66.70 64.40 1apq h VAL 24 Cb 0.00 0.69 0.11 0.00 -2.01 0.00 0.00 31.29 30.08 1apq h VAL 24 CO 0.00 0.37 0.25 -0.90 -1.01 0.00 0.00 177.57 176.28 1apq n ASP 25 N -4.22 0.19 -3.25 3.17 5.75 -1.26 -5.08 116.55 111.85 1apq n ASP 25 Ca 0.04 -1.39 -0.31 0.00 -0.01 0.00 0.00 54.79 53.12 1apq n ASP 25 Cb 0.28 -0.65 0.30 0.00 -1.03 0.00 0.00 41.12 40.02 1apq n ASP 25 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 1apq s LEU 26 N 0.00 -1.54 -0.58 -2.12 2.34 -1.26 -4.84 118.68 110.69 1apq s LEU 26 Ca 0.50 0.78 -0.27 0.00 0.06 0.00 0.00 54.13 55.21 1apq s LEU 26 Cb -0.02 -2.12 -0.02 0.00 -0.56 0.00 0.00 46.19 43.48 1apq s LEU 26 CO 0.35 -5.64 1.79 -0.62 -1.06 0.00 0.00 176.35 171.16 1apq s ASP 27 N -3.19 5.46 0.34 1.48 2.15 -1.26 -1.10 116.67 120.55 1apq s ASP 27 Ca 0.68 0.42 0.07 0.00 0.43 0.00 0.00 52.55 54.15 1apq s ASP 27 Cb -0.12 -2.53 0.74 0.00 -0.30 0.00 0.00 42.92 40.71 1apq s ASP 27 CO 0.57 -2.21 1.87 -0.33 -0.17 0.00 0.00 175.17 174.89 1apq h GLU 28 N 14.14 0.76 0.00 4.34 3.07 -1.93 -0.03 114.58 134.94 1apq h GLU 28 Ca -0.27 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.50 1apq h GLU 28 Cb 1.15 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 1apq h GLU 28 CO 1.19 0.50 -0.22 0.00 -1.40 0.00 0.00 179.01 179.08 1apq h ALA 30 N 1.78 0.02 0.16 0.00 0.00 -1.38 -0.81 119.26 119.02 1apq h ALA 30 Ca -0.00 -0.86 0.01 0.00 0.00 0.00 0.00 54.91 54.05 1apq h ALA 30 Cb 0.45 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1apq h ALA 30 CO 0.03 0.56 -0.18 0.77 0.00 0.00 0.00 179.25 180.43 1apq h SER 31 N -0.35 -0.50 -0.29 0.00 0.02 -0.78 -3.05 113.55 108.61 1apq h SER 31 Ca -0.21 0.05 -0.58 0.00 -0.84 0.00 0.00 61.79 60.21 1apq h SER 31 Cb 1.69 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 64.38 1apq h SER 31 CO 0.11 -0.27 2.56 0.54 -1.14 0.00 0.00 176.83 178.63 1apq n ARG 32 N -5.31 3.47 0.18 3.45 1.74 0.63 -4.54 116.66 116.27 1apq n ARG 32 Ca -0.07 -2.22 0.04 0.00 -0.77 0.00 0.00 57.85 54.82 1apq n ARG 32 Cb 0.22 -2.57 0.30 0.00 -1.02 0.00 0.00 32.46 29.39 1apq n ARG 32 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1apq h SER 33 N 4.42 0.00 -5.21 0.55 4.64 -1.71 -3.42 113.55 112.82 1apq h SER 33 Ca 0.68 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.60 1apq h SER 33 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1apq h SER 33 CO 1.37 0.43 -0.61 0.29 -0.87 0.00 0.00 176.83 177.44 1apq n LYS 34 N -3.62 -4.56 0.00 4.77 5.02 -1.26 -4.62 118.16 113.88 1apq n LYS 34 Ca -0.01 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1apq n LYS 34 Cb 0.53 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 30.03 1apq n LYS 34 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1apq n SER 35 N -2.50 0.00 -0.19 4.39 3.41 -1.26 -5.18 113.62 112.28 1apq n SER 35 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1apq n SER 35 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1apq n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1apq n GLY 36 N -0.91 3.67 2.71 5.00 0.00 -1.26 -5.05 105.19 109.36 1apq n GLY 36 Ca 0.00 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 1apq n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1apq n GLU 37 N 0.00 2.41 -1.43 1.61 1.02 -1.26 -4.68 120.64 118.31 1apq n GLU 37 Ca 0.00 -1.96 -0.42 0.00 -0.02 0.00 0.00 57.16 54.76 1apq n GLU 37 Cb 0.00 -2.83 -0.03 0.00 -0.02 0.00 0.00 31.44 28.55 1apq n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1apq n GLU 38 N 5.27 2.04 0.34 3.49 1.02 -1.26 -4.62 120.64 126.91 1apq n GLU 38 Ca 0.54 -2.18 -0.14 0.00 -0.02 0.00 0.00 57.16 55.37 1apq n GLU 38 Cb 0.28 -3.10 -0.07 0.00 -0.02 0.00 0.00 31.44 28.54 1apq n GLU 38 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1apq h ASP 39 N 7.27 -0.76 -4.25 1.62 3.58 -1.88 -3.32 116.42 118.67 1apq h ASP 39 Ca 0.47 0.03 -0.50 0.00 0.42 0.00 0.00 57.03 57.44 1apq h ASP 39 Cb 0.67 0.20 0.12 0.00 1.72 0.00 0.00 39.33 42.04 1apq h ASP 39 CO 1.90 -0.38 0.32 -2.16 -2.88 0.00 0.00 179.24 176.04 1apq s PRO 40 N -4.49 2.11 -0.53 0.28 0.04 -1.26 -4.25 135.00 126.90 1apq s PRO 40 Ca -0.13 0.93 -0.05 0.00 0.04 0.00 0.00 61.00 61.79 1apq s PRO 40 Cb 0.01 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1apq s PRO 40 CO 0.40 -1.68 0.36 0.00 0.04 0.00 0.00 177.00 176.12 1apq n GLN 41 N -3.52 -0.82 0.00 4.56 10.64 -1.26 -4.96 117.38 122.03 1apq n GLN 41 Ca 0.08 0.28 0.00 0.00 -1.83 0.00 0.00 57.00 55.53 1apq n GLN 41 Cb 0.54 -1.21 0.00 0.00 -0.86 0.00 0.00 30.24 28.71 1apq n GLN 41 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1apq n PRO 42 N -2.11 1.02 -0.31 2.61 -0.04 -1.25 -4.86 135.00 130.06 1apq n PRO 42 Ca -0.16 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.52 1apq n PRO 42 Cb 0.39 0.00 0.50 0.00 -0.04 0.00 0.00 33.50 34.35 1apq n PRO 42 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1apq h GLN 43 N 0.00 0.40 -5.75 0.54 4.15 -1.39 -3.37 115.11 109.69 1apq h GLN 43 Ca 0.00 -0.02 -0.65 0.00 0.77 0.00 0.00 58.65 58.74 1apq h GLN 43 Cb 0.00 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.54 1apq h GLN 43 CO 0.00 0.26 -0.44 0.00 -1.93 0.00 0.00 178.83 176.72 1apq h GLN 45 N 4.56 -0.06 0.00 0.00 4.15 -1.09 -3.40 115.11 119.28 1apq h GLN 45 Ca -0.53 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1apq h GLN 45 Cb 1.22 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1apq h GLN 45 CO 0.62 -0.04 0.00 0.72 -1.93 0.00 0.00 178.83 178.20 1apq n HIS 46 N -5.48 0.00 -4.21 3.99 8.25 -1.26 -4.33 115.22 112.17 1apq n HIS 46 Ca 0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.42 1apq n HIS 46 Cb 0.39 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.40 1apq n HIS 46 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1apq s LEU 47 N -3.16 2.33 -0.32 2.41 -0.00 -1.19 -4.58 118.68 114.17 1apq s LEU 47 Ca 0.00 -1.08 -0.01 0.00 -0.00 0.00 0.00 54.13 53.04 1apq s LEU 47 Cb 0.00 -0.11 0.10 0.00 -0.00 0.00 0.00 46.19 46.19 1apq s LEU 47 CO 0.00 -0.49 0.11 0.00 -0.00 0.00 0.00 176.35 175.97 1apq s HIS 49 N 1.54 1.62 0.03 0.00 3.76 0.99 -4.83 115.29 118.40 1apq s HIS 49 Ca 0.10 0.30 -0.20 0.00 -0.15 0.00 0.00 55.06 55.12 1apq s HIS 49 Cb -0.18 -4.04 -0.06 0.00 1.11 0.00 0.00 32.58 29.42 1apq s HIS 49 CO -0.23 -3.91 0.58 -0.80 -0.85 0.00 0.00 174.74 169.53 1apq s ASN 50 N 5.56 7.01 0.14 1.40 0.01 -1.26 -0.66 114.94 127.13 1apq s ASN 50 Ca 0.84 1.20 -0.11 0.00 -0.71 0.00 0.00 52.86 54.08 1apq s ASN 50 Cb -0.31 -2.36 0.04 0.00 0.41 0.00 0.00 41.25 39.03 1apq s ASN 50 CO 0.34 0.17 0.55 0.00 -1.51 0.00 0.00 177.10 176.66 1apq n TYR 51 N 2.31 -1.23 -2.08 2.20 4.11 -0.01 -4.96 117.16 117.51 1apq n TYR 51 Ca -0.08 -0.82 -0.42 0.00 -0.00 0.00 0.00 57.90 56.59 1apq n TYR 51 Cb 0.51 0.40 -0.03 0.00 -0.00 0.00 0.00 39.34 40.22 1apq n TYR 51 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1apq s VAL 52 N -2.34 2.90 0.00 -3.48 1.01 -1.26 -0.71 120.40 116.52 1apq s VAL 52 Ca 0.12 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1apq s VAL 52 Cb -0.02 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1apq s VAL 52 CO 0.04 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1apq n GLY 53 N 2.58 0.54 0.00 4.51 0.00 -1.26 -4.82 105.19 106.75 1apq n GLY 53 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1apq n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1apq n GLY 54 N -2.00 1.50 3.57 -0.02 0.00 0.11 -4.99 105.19 103.35 1apq n GLY 54 Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 1apq n GLY 54 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1apq s TYR 55 N 0.00 -0.70 -0.07 1.61 1.13 -1.26 -0.83 117.35 117.23 1apq s TYR 55 Ca 0.00 1.42 0.05 0.00 -1.41 0.00 0.00 57.07 57.13 1apq s TYR 55 Cb 0.00 0.36 -0.00 0.00 -1.10 0.00 0.00 41.96 41.21 1apq s TYR 55 CO 0.00 -0.51 -0.23 -0.59 -2.51 0.00 0.00 175.55 171.71 1apq s PHE 56 N -0.55 2.35 0.52 -3.49 -0.71 0.16 -4.95 117.98 111.30 1apq s PHE 56 Ca -0.06 -0.81 0.03 0.00 -1.04 0.00 0.00 56.93 55.05 1apq s PHE 56 Cb -0.02 -1.56 0.03 0.00 -1.21 0.00 0.00 43.02 40.26 1apq s PHE 56 CO 0.06 -0.29 0.72 0.00 -1.34 0.00 0.00 175.22 174.37 1apq s SER 58 N -4.41 -0.01 0.25 0.00 0.01 -1.10 -4.86 113.70 103.58 1apq s SER 58 Ca 0.57 -0.85 0.02 0.00 1.31 0.00 0.00 55.95 57.00 1apq s SER 58 Cb -0.10 0.64 -0.04 0.00 0.21 0.00 0.00 66.02 66.73 1apq s SER 58 CO 0.37 -1.27 0.16 0.00 0.41 0.00 0.00 173.24 172.91 1apq n ARG 60 N -0.43 0.30 -1.67 0.00 1.74 -1.26 -4.85 116.66 110.49 1apq n ARG 60 Ca 0.02 0.15 -0.39 0.00 -0.77 0.00 0.00 57.85 56.86 1apq n ARG 60 Cb 0.65 -1.91 0.04 0.00 -1.02 0.00 0.00 32.46 30.22 1apq n ARG 60 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1apq n PRO 61 N -1.04 1.32 -1.65 5.56 -0.02 -1.26 -2.39 135.00 135.52 1apq n PRO 61 Ca 0.10 0.49 -0.06 0.00 -2.02 0.00 0.00 63.50 62.02 1apq n PRO 61 Cb 0.50 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1apq n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1apq n GLY 62 N 1.04 0.47 2.93 -1.23 0.00 -1.26 -5.01 105.19 102.13 1apq n GLY 62 Ca 0.11 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 1apq n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1apq s TYR 63 N -2.25 0.83 -0.02 1.61 1.51 -1.00 -0.69 117.35 117.33 1apq s TYR 63 Ca 0.00 -0.24 -0.18 0.00 -1.01 0.00 0.00 57.07 55.64 1apq s TYR 63 Cb 0.00 -0.68 -0.05 0.00 -0.11 0.00 0.00 41.96 41.11 1apq s TYR 63 CO 0.00 -0.17 0.51 -2.00 -1.11 0.00 0.00 175.55 172.78 1apq s GLU 64 N 0.71 4.21 -0.34 -0.62 2.12 0.67 -4.71 118.70 120.73 1apq s GLU 64 Ca -0.10 0.58 -0.16 0.00 0.36 0.00 0.00 54.97 55.65 1apq s GLU 64 Cb -0.13 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 1apq s GLU 64 CO 0.01 0.43 0.42 -1.17 -0.54 0.00 0.00 175.26 174.40 1apq s LEU 65 N -0.32 4.39 0.82 2.70 1.98 -1.26 -1.15 118.68 125.83 1apq s LEU 65 Ca 0.28 -0.13 -0.11 0.00 -2.89 0.00 0.00 54.13 51.27 1apq s LEU 65 Cb -0.17 -2.43 0.08 0.00 0.66 0.00 0.00 46.19 44.33 1apq s LEU 65 CO 0.15 -0.38 1.09 -1.10 -1.89 0.00 0.00 176.35 174.22 1apq s GLN 66 N 2.15 1.88 0.00 1.98 1.11 0.35 -4.90 119.66 122.24 1apq s GLN 66 Ca 0.14 1.01 0.00 0.00 0.01 0.00 0.00 55.36 56.52 1apq s GLN 66 Cb -0.16 -1.87 0.00 0.00 -1.01 0.00 0.00 33.01 29.97 1apq s GLN 66 CO 0.12 -1.86 0.90 0.39 0.01 0.00 0.00 175.29 174.86 1apq n GLU 67 N -3.65 0.00 0.20 2.91 4.71 -1.26 -0.53 120.64 123.03 1apq n GLU 67 Ca 0.08 0.41 0.08 0.00 -0.01 0.00 0.00 57.16 57.72 1apq n GLU 67 Cb 0.54 -1.55 0.38 0.00 -1.01 0.00 0.00 31.44 29.80 1apq n GLU 67 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 1apq h ASP 68 N 0.00 0.00 0.00 1.62 2.03 -1.91 -3.47 116.42 114.69 1apq h ASP 68 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1apq h ASP 68 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 1apq h ASP 68 CO 0.00 0.29 0.00 -1.14 -1.03 0.00 0.00 179.24 177.36 1apq n ARG 69 N -3.42 0.00 0.00 4.15 0.63 0.32 -4.86 116.66 113.48 1apq n ARG 69 Ca 0.00 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1apq n ARG 69 Cb 0.48 -3.32 0.00 0.00 0.45 0.00 0.00 32.46 30.07 1apq n ARG 69 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1apq n HIS 70 N -3.39 -0.37 -2.84 -0.14 8.25 -1.26 -4.73 115.22 110.74 1apq n HIS 70 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1apq n HIS 70 Cb 0.28 0.19 -0.06 0.00 1.12 0.00 0.00 29.99 31.52 1apq n HIS 70 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1apq s SER 71 N -2.86 7.25 0.10 0.41 0.01 -1.26 -0.70 113.70 116.65 1apq s SER 71 Ca 0.00 1.75 0.07 0.00 1.31 0.00 0.00 55.95 59.09 1apq s SER 71 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 1apq s SER 71 CO 0.00 -0.08 -0.19 0.00 0.41 0.00 0.00 173.24 173.38 1apq s GLN 73 N -1.91 0.92 -0.29 0.00 -1.52 -0.30 -4.98 119.66 111.58 1apq s GLN 73 Ca 0.05 -1.36 -0.28 0.00 -1.95 0.00 0.00 55.36 51.81 1apq s GLN 73 Cb -0.10 -0.39 0.01 0.00 -0.22 0.00 0.00 33.01 32.32 1apq s GLN 73 CO 0.04 0.02 1.03 0.00 -0.25 0.00 0.00 175.29 176.13 1apq s ALA 74 N -3.41 3.55 0.00 6.09 0.00 -1.26 -0.24 121.76 126.50 1apq s ALA 74 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1apq s ALA 74 Cb 0.04 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1apq s ALA 74 CO -0.02 -1.33 0.00 0.39 0.00 0.00 0.00 175.76 174.79