#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apq s VAL 24 N 0.00 2.49 0.13 0.00 -7.23 -1.26 -5.05 120.40 109.47 1apq s VAL 24 Ca 0.00 0.20 -0.25 0.00 -1.81 0.00 0.00 61.98 60.13 1apq s VAL 24 Cb 0.00 -2.61 0.07 0.00 0.56 0.00 0.00 36.38 34.40 1apq s VAL 24 CO 0.00 -0.16 0.74 -0.62 -0.31 0.00 0.00 175.10 174.75 1apq s ASP 25 N -2.45 -0.42 -1.29 4.85 2.15 -1.26 -5.05 116.67 113.20 1apq s ASP 25 Ca 0.70 -0.13 -0.16 0.00 0.43 0.00 0.00 52.55 53.39 1apq s ASP 25 Cb -0.25 0.54 -0.01 0.00 -0.30 0.00 0.00 42.92 42.90 1apq s ASP 25 CO 0.50 -0.91 2.19 0.18 -0.17 0.00 0.00 175.17 176.95 1apq n LEU 26 N -0.36 6.25 -3.88 -1.34 7.99 -1.26 -4.83 117.00 119.57 1apq n LEU 26 Ca -0.11 -3.83 -0.42 0.00 -0.01 0.00 0.00 56.01 51.64 1apq n LEU 26 Cb 0.63 -1.51 -0.02 0.00 -0.11 0.00 0.00 43.42 42.40 1apq n LEU 26 CO 0.12 0.79 2.36 -0.90 -1.51 0.00 0.00 177.39 178.24 1apq n ASP 27 N 6.30 3.60 -4.61 -1.43 5.75 -1.26 -4.93 116.55 119.97 1apq n ASP 27 Ca 0.52 -2.80 -0.42 0.00 -0.01 0.00 0.00 54.79 52.08 1apq n ASP 27 Cb 0.38 -1.53 0.00 0.00 -1.03 0.00 0.00 41.12 38.95 1apq n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1apq n GLU 28 N 6.81 1.39 0.00 0.11 1.02 -1.26 -0.92 120.64 127.79 1apq n GLU 28 Ca 0.50 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 1apq n GLU 28 Cb 0.41 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1apq n GLU 28 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1apq n ALA 30 N 0.00 -0.32 -0.26 0.00 0.00 -1.08 -3.47 120.51 115.39 1apq n ALA 30 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1apq n ALA 30 Cb 0.00 0.06 0.13 0.00 0.00 0.00 0.00 19.45 19.64 1apq n ALA 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1apq h SER 31 N 0.00 -0.51 0.00 0.00 4.64 -1.04 -0.73 113.55 115.91 1apq h SER 31 Ca 0.00 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1apq h SER 31 Cb 0.00 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1apq h SER 31 CO 0.00 -0.22 0.61 0.03 -0.87 0.00 0.00 176.83 176.38 1apq h ARG 32 N 0.05 0.00 -0.53 4.77 3.08 -1.77 -0.23 114.38 119.75 1apq h ARG 32 Ca 0.39 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.14 1apq h ARG 32 Cb 0.66 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.49 1apq h ARG 32 CO -0.72 0.00 -0.65 0.43 -1.07 0.00 0.00 179.97 177.96 1apq n SER 33 N -2.68 -1.34 0.00 7.04 7.64 -0.37 -4.99 113.62 118.93 1apq n SER 33 Ca -0.01 -3.33 0.00 0.00 1.01 0.00 0.00 58.87 56.54 1apq n SER 33 Cb 0.64 1.09 0.00 0.00 -1.01 0.00 0.00 64.21 64.92 1apq n SER 33 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1apq n LYS 34 N 0.20 0.00 -0.00 1.43 5.02 -0.10 -0.59 118.16 124.12 1apq n LYS 34 Ca 0.10 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.46 1apq n LYS 34 Cb 0.72 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.62 1apq n LYS 34 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1apq n SER 35 N 1.69 1.45 0.00 4.39 7.64 -1.12 -3.38 113.62 124.29 1apq n SER 35 Ca 0.00 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1apq n SER 35 Cb 0.00 1.47 0.00 0.00 -1.01 0.00 0.00 64.21 64.67 1apq n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1apq n GLY 36 N 1.59 1.16 3.77 0.23 0.00 0.25 -0.52 105.19 111.66 1apq n GLY 36 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1apq n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1apq s GLU 37 N -0.02 4.36 0.03 1.61 2.02 -0.53 -2.70 118.70 123.46 1apq s GLU 37 Ca 0.00 1.62 -0.38 0.00 0.02 0.00 0.00 54.97 56.23 1apq s GLU 37 Cb 0.00 -2.80 -0.19 0.00 0.10 0.00 0.00 34.13 31.24 1apq s GLU 37 CO 0.00 0.01 1.07 -1.91 0.02 0.00 0.00 175.26 174.44 1apq n GLU 38 N 0.44 0.19 -3.64 1.61 4.07 0.11 -4.72 120.64 118.69 1apq n GLU 38 Ca 0.03 0.07 -0.05 0.00 -0.06 0.00 0.00 57.16 57.14 1apq n GLU 38 Cb 0.48 -1.55 -0.07 0.00 -0.06 0.00 0.00 31.44 30.24 1apq n GLU 38 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1apq s ASP 39 N -0.01 -0.42 -1.06 4.31 2.15 -1.26 -5.05 116.67 115.33 1apq s ASP 39 Ca 0.88 0.73 -0.23 0.00 0.43 0.00 0.00 52.55 54.36 1apq s ASP 39 Cb -1.19 0.96 -0.01 0.00 -0.30 0.00 0.00 42.92 42.37 1apq s ASP 39 CO 0.55 -0.12 1.78 -2.16 -0.17 0.00 0.00 175.17 175.06 1apq s PRO 40 N 0.75 3.04 0.21 4.34 0.04 -1.26 -4.76 135.00 137.36 1apq s PRO 40 Ca -0.02 -0.98 -0.19 0.00 0.04 0.00 0.00 61.00 59.85 1apq s PRO 40 Cb -0.04 -5.26 0.03 0.00 0.04 0.00 0.00 34.50 29.27 1apq s PRO 40 CO -0.11 -3.04 0.57 1.14 0.04 0.00 0.00 177.00 175.60 1apq s GLN 41 N 5.92 1.46 -0.97 4.56 -2.07 -1.26 -5.06 119.66 122.25 1apq s GLN 41 Ca 0.61 -0.86 -0.23 0.00 -1.82 0.00 0.00 55.36 53.05 1apq s GLN 41 Cb -0.02 0.55 -0.14 0.00 -1.09 0.00 0.00 33.01 32.31 1apq s GLN 41 CO 0.01 -0.64 1.92 -0.35 -1.32 0.00 0.00 175.29 174.92 1apq n PRO 42 N -0.37 1.40 -3.83 9.60 -0.04 -1.26 -4.76 135.00 135.74 1apq n PRO 42 Ca -0.09 -2.13 -0.10 0.00 -0.04 0.00 0.00 63.50 61.14 1apq n PRO 42 Cb 0.62 -3.39 -0.06 0.00 -0.04 0.00 0.00 33.50 30.63 1apq n PRO 42 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1apq s GLN 43 N 6.09 1.14 0.75 0.54 0.74 -1.26 -4.92 119.66 122.74 1apq s GLN 43 Ca 0.65 -0.97 -0.11 0.00 0.05 0.00 0.00 55.36 54.98 1apq s GLN 43 Cb 0.05 0.42 0.05 0.00 1.10 0.00 0.00 33.01 34.64 1apq s GLN 43 CO 0.15 -0.43 1.12 0.00 -0.55 0.00 0.00 175.29 175.57 1apq h GLN 45 N -0.83 0.46 0.00 0.00 4.15 -1.11 -3.28 115.11 114.51 1apq h GLN 45 Ca -0.45 -0.79 0.00 0.00 0.77 0.00 0.00 58.65 58.17 1apq h GLN 45 Cb 1.30 0.30 0.00 0.00 0.21 0.00 0.00 27.48 29.29 1apq h GLN 45 CO 0.64 1.38 -0.11 0.72 -1.93 0.00 0.00 178.83 179.54 1apq n HIS 46 N -3.66 0.00 -3.75 3.99 8.25 -1.18 0.08 115.22 118.95 1apq n HIS 46 Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 1apq n HIS 46 Cb 1.08 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 32.10 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 -5.42 0.23 0.33 2.41 0.05 -1.10 -2.73 118.68 112.44 1apq s LEU 47 Ca -0.03 -0.50 0.03 0.00 0.05 0.00 0.00 54.13 53.69 1apq s LEU 47 Cb 0.00 1.98 -0.06 0.00 -2.05 0.00 0.00 46.19 46.07 1apq s LEU 47 CO 0.05 -1.00 0.07 0.00 -0.55 0.00 0.00 176.35 174.91 1apq s HIS 49 N -3.34 0.96 0.11 0.00 3.76 0.12 -4.79 115.29 112.10 1apq s HIS 49 Ca 0.35 -1.27 0.03 0.00 -0.15 0.00 0.00 55.06 54.02 1apq s HIS 49 Cb 0.08 -0.51 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 1apq s HIS 49 CO 0.15 -0.54 -0.08 -0.80 -0.85 0.00 0.00 174.74 172.62 1apq s ASN 50 N -3.08 1.34 0.01 1.40 -0.87 -1.26 -1.10 114.94 111.38 1apq s ASN 50 Ca 0.28 -1.01 -0.11 0.00 -1.57 0.00 0.00 52.86 50.45 1apq s ASN 50 Cb 0.07 0.06 0.04 0.00 -0.02 0.00 0.00 41.25 41.40 1apq s ASN 50 CO 0.05 -0.43 0.52 0.00 -2.57 0.00 0.00 177.10 174.67 1apq n TYR 51 N -0.09 -0.43 -0.29 2.20 4.11 -1.25 -4.93 117.16 116.48 1apq n TYR 51 Ca -0.11 -0.37 0.09 0.00 -0.00 0.00 0.00 57.90 57.51 1apq n TYR 51 Cb 0.61 0.17 0.32 0.00 -0.00 0.00 0.00 39.34 40.44 1apq n TYR 51 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.86 176.62 1apq h VAL 52 N 1.43 0.89 0.00 -3.48 3.04 -2.00 -2.47 116.25 113.66 1apq h VAL 52 Ca -0.10 -0.28 -0.02 0.00 -1.01 0.00 0.00 66.70 65.29 1apq h VAL 52 Cb 0.51 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.79 1apq h VAL 52 CO 0.14 0.15 -0.03 0.61 -1.01 0.00 0.00 177.57 177.43 1apq n GLY 53 N -1.41 2.34 5.42 3.17 0.00 -1.26 -4.86 105.19 108.59 1apq n GLY 53 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.66 1.42 3.51 -0.02 0.00 -0.93 -4.73 105.19 106.10 1apq n GLY 54 Ca 0.04 0.25 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.32 0.26 1.61 -0.85 -1.26 -3.78 117.35 113.01 1apq s TYR 55 Ca 0.00 0.02 0.01 0.00 -0.52 0.00 0.00 57.07 56.57 1apq s TYR 55 Cb 0.00 0.50 -0.00 0.00 0.38 0.00 0.00 41.96 42.84 1apq s TYR 55 CO 0.00 -0.92 0.33 1.97 -1.52 0.00 0.00 175.55 175.41 1apq n PHE 56 N -0.36 -1.04 -4.03 -3.49 -1.74 -0.26 -4.95 117.46 101.58 1apq n PHE 56 Ca -0.13 -1.88 -0.10 0.00 -0.56 0.00 0.00 57.45 54.78 1apq n PHE 56 Cb 0.63 0.36 -0.06 0.00 1.52 0.00 0.00 39.48 41.94 1apq n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1apq n SER 58 N -0.55 0.21 0.00 0.00 3.41 -1.26 -4.93 113.62 110.51 1apq n SER 58 Ca -0.01 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1apq n SER 58 Cb 0.62 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1apq n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1apq s ARG 60 N -1.49 3.32 0.64 0.00 0.52 -1.26 -4.92 118.95 115.76 1apq s ARG 60 Ca 0.00 1.11 -0.18 0.00 -0.52 0.00 0.00 55.73 56.14 1apq s ARG 60 Cb 0.00 -2.04 -0.02 0.00 0.52 0.00 0.00 34.95 33.41 1apq s ARG 60 CO 0.00 -0.80 1.07 -0.35 0.02 0.00 0.00 175.30 175.24 1apq n PRO 61 N -2.22 0.88 -0.96 3.54 -0.04 -1.26 -1.71 135.00 133.22 1apq n PRO 61 Ca 0.08 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1apq n PRO 61 Cb 0.53 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1apq n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1apq n GLY 62 N 1.14 0.91 3.14 0.55 0.00 -1.25 -4.99 105.19 104.69 1apq n GLY 62 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.70 0.77 -0.09 1.61 1.51 -0.69 -1.21 117.35 115.56 1apq s TYR 63 Ca 0.00 -1.08 -0.13 0.00 -1.01 0.00 0.00 57.07 54.85 1apq s TYR 63 Cb 0.00 -0.48 0.03 0.00 -0.11 0.00 0.00 41.96 41.40 1apq s TYR 63 CO 0.00 -0.36 0.34 -1.21 -1.11 0.00 0.00 175.55 173.21 1apq s GLU 64 N -3.94 0.51 0.67 -0.62 0.41 0.53 -4.53 118.70 111.72 1apq s GLU 64 Ca 0.15 0.24 -0.17 0.00 -0.41 0.00 0.00 54.97 54.78 1apq s GLU 64 Cb 0.07 0.24 0.00 0.00 -1.78 0.00 0.00 34.13 32.66 1apq s GLU 64 CO -0.04 -0.10 1.20 -1.17 -0.49 0.00 0.00 175.26 174.66 1apq s LEU 65 N -0.37 3.47 0.49 1.80 2.96 -0.06 -1.19 118.68 125.78 1apq s LEU 65 Ca -0.05 2.34 0.07 0.00 -0.22 0.00 0.00 54.13 56.27 1apq s LEU 65 Cb -0.03 -4.59 0.02 0.00 0.50 0.00 0.00 46.19 42.08 1apq s LEU 65 CO 0.02 -1.93 0.41 -1.10 -1.32 0.00 0.00 176.35 172.44 1apq s GLN 66 N -3.69 2.35 0.59 1.98 -1.52 0.49 -4.85 119.66 115.01 1apq s GLN 66 Ca 0.75 -1.81 0.29 0.00 -1.95 0.00 0.00 55.36 52.64 1apq s GLN 66 Cb -0.29 -2.24 1.61 0.00 -0.22 0.00 0.00 33.01 31.87 1apq s GLN 66 CO 0.40 -0.46 2.05 0.93 -0.25 0.00 0.00 175.29 177.96 1apq h GLU 67 N 0.84 0.00 0.00 2.91 5.08 -1.97 0.13 114.58 121.57 1apq h GLU 67 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1apq h GLU 67 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1apq h GLU 67 CO 0.57 0.00 0.00 0.38 -1.00 0.00 0.00 179.01 178.96 1apq h ASP 68 N 0.00 0.00 -0.72 1.42 2.03 -1.95 -3.47 116.42 113.73 1apq h ASP 68 Ca 0.12 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.24 1apq h ASP 68 Cb 0.66 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.11 1apq h ASP 68 CO -0.00 0.00 -0.19 -1.14 -1.03 0.00 0.00 179.24 176.88 1apq n ARG 69 N -2.39 -0.65 0.00 4.15 0.63 0.44 -4.77 116.66 114.07 1apq n ARG 69 Ca 0.02 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 1apq n ARG 69 Cb 0.27 -4.60 0.00 0.00 0.45 0.00 0.00 32.46 28.58 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 -3.19 -0.17 -2.54 -0.14 8.25 -1.26 -4.74 115.22 111.43 1apq n HIS 70 Ca -0.09 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.96 1apq n HIS 70 Cb 0.39 0.35 -0.05 0.00 1.12 0.00 0.00 29.99 31.81 1apq n HIS 70 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1apq s SER 71 N -4.15 7.34 0.03 0.41 1.04 -1.26 -0.82 113.70 116.29 1apq s SER 71 Ca 0.00 2.19 0.03 0.00 0.48 0.00 0.00 55.95 58.64 1apq s SER 71 Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1apq s SER 71 CO 0.00 -0.08 0.01 0.00 0.98 0.00 0.00 173.24 174.15 1apq s GLN 73 N -1.85 1.34 -0.12 0.00 -1.52 -0.33 -4.93 119.66 112.25 1apq s GLN 73 Ca 0.22 -1.66 -0.30 0.00 -1.95 0.00 0.00 55.36 51.67 1apq s GLN 73 Cb -0.12 -0.74 -0.02 0.00 -0.22 0.00 0.00 33.01 31.91 1apq s GLN 73 CO 0.14 -0.03 1.12 0.00 -0.25 0.00 0.00 175.29 176.26 1apq s ALA 74 N -3.31 3.52 0.00 6.09 0.00 -1.26 -0.35 121.76 126.45 1apq s ALA 74 Ca 0.27 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1apq s ALA 74 Cb 0.05 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1apq s ALA 74 CO 0.08 -0.82 0.00 0.39 0.00 0.00 0.00 175.76 175.41