#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 1.21 -3.72 0.00 -1.51 -2.02 -3.39 116.25 106.82 1apq h VAL 24 Ca 0.00 -0.44 -0.51 0.00 -1.23 0.00 0.00 66.70 64.51 1apq h VAL 24 Cb 0.00 0.10 0.02 0.00 -2.13 0.00 0.00 31.29 29.28 1apq h VAL 24 CO 0.00 0.22 0.52 1.51 -1.23 0.00 0.00 177.57 178.59 1apq s ASP 25 N -6.34 7.14 0.00 4.19 -4.77 -1.26 -5.07 116.67 110.56 1apq s ASP 25 Ca -0.11 2.32 0.00 0.00 -3.30 0.00 0.00 52.55 51.46 1apq s ASP 25 Cb 0.17 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.38 1apq s ASP 25 CO 0.79 -0.27 0.00 0.18 0.70 0.00 0.00 175.17 176.57 1apq n LEU 26 N 1.52 0.00 -3.86 2.11 4.77 -1.26 -4.91 117.00 115.37 1apq n LEU 26 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 1apq n LEU 26 Cb 0.44 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1apq n LEU 26 CO 0.55 0.00 2.55 -0.67 -1.33 0.00 0.00 177.39 178.49 1apq n ASP 27 N 0.00 3.97 -0.31 -1.43 2.03 -1.26 -4.74 116.55 114.81 1apq n ASP 27 Ca 0.00 -2.84 0.13 0.00 0.52 0.00 0.00 54.79 52.59 1apq n ASP 27 Cb 0.00 -1.65 0.30 0.00 -0.72 0.00 0.00 41.12 39.05 1apq n ASP 27 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1apq h GLU 28 N 6.35 0.44 -2.21 -0.67 4.39 -1.91 -1.82 114.58 119.15 1apq h GLU 28 Ca 0.54 -0.03 -0.76 0.00 0.34 0.00 0.00 59.36 59.45 1apq h GLU 28 Cb 0.68 -0.10 -0.30 0.00 -0.10 0.00 0.00 28.75 28.93 1apq h GLU 28 CO 1.82 0.29 0.71 0.00 -1.16 0.00 0.00 179.01 180.67 1apq n ALA 30 N -0.15 4.94 0.00 0.00 0.00 -0.68 -4.69 120.51 119.91 1apq n ALA 30 Ca 0.45 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.59 1apq n ALA 30 Cb 0.29 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.29 1apq n ALA 30 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1apq n SER 31 N 5.86 0.00 0.00 0.00 7.64 -1.26 -4.83 113.62 121.03 1apq n SER 31 Ca 0.54 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1apq n SER 31 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1apq n SER 31 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1apq n ARG 32 N 0.00 0.00 -0.94 1.43 1.74 -1.26 -4.68 116.66 112.94 1apq n ARG 32 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1apq n ARG 32 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1apq n ARG 32 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1apq n SER 33 N 1.92 0.00 -3.75 0.55 2.88 -1.26 -5.04 113.62 108.91 1apq n SER 33 Ca 0.00 -0.78 -0.42 0.00 -1.33 0.00 0.00 58.87 56.34 1apq n SER 33 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1apq n SER 33 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1apq n LYS 34 N 0.00 1.91 -0.22 -1.46 5.02 -1.26 -4.80 118.16 117.35 1apq n LYS 34 Ca 0.00 -2.13 0.03 0.00 -2.02 0.00 0.00 58.31 54.19 1apq n LYS 34 Cb 0.00 -3.09 0.08 0.00 -0.02 0.00 0.00 35.03 32.00 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 7.63 -0.23 -0.33 4.39 7.64 -1.26 -0.98 113.62 130.48 1apq n SER 35 Ca 0.50 1.04 0.20 0.00 1.01 0.00 0.00 58.87 61.62 1apq n SER 35 Cb 0.41 -0.31 0.39 0.00 -1.01 0.00 0.00 64.21 63.68 1apq n SER 35 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1apq h GLY 36 N 0.00 1.59 2.00 0.23 0.00 -1.51 0.15 103.07 105.53 1apq h GLY 36 Ca 0.28 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1apq h GLY 36 CO -0.62 -0.59 0.00 0.83 0.00 0.00 0.00 176.54 176.16 1apq h GLU 37 N 0.03 0.00 -6.78 4.80 3.07 -1.34 -3.45 114.58 110.92 1apq h GLU 37 Ca 0.68 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 59.04 1apq h GLU 37 Cb 1.54 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 29.32 1apq h GLU 37 CO -0.85 0.00 -0.79 -0.85 -1.40 0.00 0.00 179.01 175.12 1apq n GLU 38 N -2.64 -0.81 0.17 2.33 0.28 0.53 -4.74 120.64 115.76 1apq n GLU 38 Ca 0.05 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1apq n GLU 38 Cb 0.46 -2.63 0.00 0.00 1.43 0.00 0.00 31.44 30.70 1apq n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1apq n ASP 39 N -2.10 -1.41 -4.36 -1.84 2.03 -1.26 -4.71 116.55 102.90 1apq n ASP 39 Ca -0.23 0.60 -0.34 0.00 0.52 0.00 0.00 54.79 55.35 1apq n ASP 39 Cb 0.54 1.47 -0.05 0.00 -0.72 0.00 0.00 41.12 42.36 1apq n ASP 39 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1apq n PRO 40 N -3.43 1.82 0.00 -0.67 -0.04 -1.26 -4.31 135.00 127.11 1apq n PRO 40 Ca 0.00 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 61.01 1apq n PRO 40 Cb 0.00 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 29.94 1apq n PRO 40 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1apq n GLN 41 N 7.97 0.00 -1.62 0.54 6.02 -1.26 -4.64 117.38 124.39 1apq n GLN 41 Ca 0.47 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 57.05 1apq n GLN 41 Cb 0.45 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.67 1apq n GLN 41 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1apq n PRO 42 N 1.95 2.04 -3.84 -1.09 -0.04 -1.26 -4.74 135.00 128.02 1apq n PRO 42 Ca 0.00 -2.30 -0.27 0.00 -0.04 0.00 0.00 63.50 60.88 1apq n PRO 42 Cb 0.00 -3.22 -0.03 0.00 -0.04 0.00 0.00 33.50 30.21 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 4.75 3.47 0.46 0.54 -0.44 -1.26 -5.04 119.66 122.14 1apq s GLN 43 Ca 0.57 -0.47 -0.24 0.00 -2.50 0.00 0.00 55.36 52.72 1apq s GLN 43 Cb 0.10 -2.93 -0.07 0.00 -1.64 0.00 0.00 33.01 28.48 1apq s GLN 43 CO 0.07 0.49 1.29 0.00 0.50 0.00 0.00 175.29 177.63 1apq h GLN 45 N 2.17 -0.98 0.00 0.00 4.15 -0.88 -3.40 115.11 116.16 1apq h GLN 45 Ca -0.50 0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1apq h GLN 45 Cb 1.26 0.22 0.00 0.00 0.21 0.00 0.00 27.48 29.18 1apq h GLN 45 CO 0.60 -0.66 0.00 0.72 -1.93 0.00 0.00 178.83 177.57 1apq n HIS 46 N -5.57 0.00 -4.18 3.99 8.25 -1.26 -1.58 115.22 114.87 1apq n HIS 46 Ca -0.12 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.19 1apq n HIS 46 Cb 0.46 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.46 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 0.00 2.40 0.41 2.41 0.05 -0.85 -4.80 118.68 118.30 1apq s LEU 47 Ca 0.00 -0.80 0.07 0.00 0.05 0.00 0.00 54.13 53.45 1apq s LEU 47 Cb 0.00 -0.32 -0.05 0.00 -2.05 0.00 0.00 46.19 43.77 1apq s LEU 47 CO 0.00 -0.25 0.22 0.00 -0.55 0.00 0.00 176.35 175.77 1apq s HIS 49 N -2.57 -0.16 -0.04 0.00 0.09 0.76 -4.89 115.29 108.48 1apq s HIS 49 Ca 0.42 0.38 -0.01 0.00 -0.00 0.00 0.00 55.06 55.86 1apq s HIS 49 Cb 0.02 0.05 -0.04 0.00 -0.00 0.00 0.00 32.58 32.62 1apq s HIS 49 CO 0.24 -0.15 0.03 -0.80 -0.00 0.00 0.00 174.74 174.06 1apq s ASN 50 N -0.26 5.40 0.21 1.40 0.01 -1.26 -0.52 114.94 119.91 1apq s ASN 50 Ca -0.04 0.12 -0.21 0.00 -0.71 0.00 0.00 52.86 52.02 1apq s ASN 50 Cb -0.03 -1.51 0.07 0.00 0.41 0.00 0.00 41.25 40.19 1apq s ASN 50 CO 0.01 0.32 1.00 -0.72 -1.51 0.00 0.00 177.10 176.20 1apq s TYR 51 N -1.05 0.08 0.35 2.20 1.13 -0.11 -4.93 117.35 115.02 1apq s TYR 51 Ca 0.18 -0.52 -0.29 0.00 -1.41 0.00 0.00 57.07 55.04 1apq s TYR 51 Cb -0.12 0.72 -0.11 0.00 -1.10 0.00 0.00 41.96 41.36 1apq s TYR 51 CO 0.08 -1.02 1.45 0.14 -2.51 0.00 0.00 175.55 173.69 1apq s VAL 52 N -2.20 2.26 0.00 -3.49 -7.23 -1.26 -0.41 120.40 108.08 1apq s VAL 52 Ca 0.21 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 1apq s VAL 52 Cb -0.03 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.75 1apq s VAL 52 CO 0.06 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.52 1apq n GLY 53 N 0.81 3.35 0.00 2.32 0.00 -1.26 -4.79 105.19 105.63 1apq n GLY 53 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.26 3.48 -0.02 0.00 0.45 -5.07 105.19 103.29 1apq n GLY 54 Ca 0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.60 0.46 1.61 1.13 -1.26 -0.93 117.35 117.76 1apq s TYR 55 Ca 0.00 0.76 0.03 0.00 -1.41 0.00 0.00 57.07 56.45 1apq s TYR 55 Cb 0.00 0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 41.33 1apq s TYR 55 CO 0.00 -0.72 0.10 -0.59 -2.51 0.00 0.00 175.55 171.83 1apq s PHE 56 N -2.35 1.78 0.19 -3.49 -0.71 0.32 -4.95 117.98 108.77 1apq s PHE 56 Ca -0.05 -1.23 -0.03 0.00 -1.04 0.00 0.00 56.93 54.57 1apq s PHE 56 Cb -0.00 -1.29 -0.03 0.00 -1.21 0.00 0.00 43.02 40.48 1apq s PHE 56 CO -0.00 -0.17 0.18 0.00 -1.34 0.00 0.00 175.22 173.89 1apq s SER 58 N -3.11 0.03 0.42 0.00 0.01 -0.07 -4.94 113.70 106.04 1apq s SER 58 Ca 0.32 -1.02 0.07 0.00 1.31 0.00 0.00 55.95 56.63 1apq s SER 58 Cb 0.06 0.78 -0.07 0.00 0.21 0.00 0.00 66.02 66.99 1apq s SER 58 CO 0.09 -1.51 0.04 0.00 0.41 0.00 0.00 173.24 172.27 1apq n ARG 60 N -1.04 -0.08 -1.31 0.00 1.74 -1.26 -4.91 116.66 109.80 1apq n ARG 60 Ca -0.05 0.05 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1apq n ARG 60 Cb 0.67 -2.31 0.07 0.00 -1.02 0.00 0.00 32.46 29.87 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 -3.24 0.40 0.00 5.56 -0.02 -1.26 -2.45 135.00 133.99 1apq n PRO 61 Ca 0.12 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1apq n PRO 61 Cb 0.51 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.45 1.33 3.74 -1.23 0.00 -1.26 -4.96 105.19 104.26 1apq n GLY 62 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 2.16 -0.06 1.61 1.51 -1.03 -4.12 117.35 117.42 1apq s TYR 63 Ca 0.00 1.48 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 1apq s TYR 63 Cb 0.00 -3.66 -0.03 0.00 -0.11 0.00 0.00 41.96 38.15 1apq s TYR 63 CO 0.00 -2.78 -0.04 -2.00 -1.11 0.00 0.00 175.55 169.62 1apq s GLU 64 N -3.32 2.81 -0.24 -0.62 -6.30 0.29 -4.77 118.70 106.55 1apq s GLU 64 Ca 0.81 -0.52 -0.13 0.00 -2.50 0.00 0.00 54.97 52.62 1apq s GLU 64 Cb -0.36 -2.65 -0.04 0.00 0.00 0.00 0.00 34.13 31.07 1apq s GLU 64 CO 0.39 0.67 0.28 -1.17 0.02 0.00 0.00 175.26 175.45 1apq s LEU 65 N -0.96 4.11 0.95 2.70 2.96 -1.26 -0.50 118.68 126.67 1apq s LEU 65 Ca 0.14 0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 54.19 1apq s LEU 65 Cb -0.11 -2.30 0.16 0.00 0.50 0.00 0.00 46.19 44.44 1apq s LEU 65 CO 0.03 -0.04 1.13 -1.10 -1.32 0.00 0.00 176.35 175.05 1apq s GLN 66 N 1.38 0.86 0.61 1.98 1.11 0.17 -4.87 119.66 120.89 1apq s GLN 66 Ca 0.13 0.32 0.32 0.00 0.01 0.00 0.00 55.36 56.13 1apq s GLN 66 Cb -0.15 -1.80 1.85 0.00 -1.01 0.00 0.00 33.01 31.90 1apq s GLN 66 CO 0.07 -2.40 2.19 0.93 0.01 0.00 0.00 175.29 176.09 1apq h GLU 67 N -1.64 0.00 0.00 2.91 3.07 -1.98 0.80 114.58 117.73 1apq h GLU 67 Ca -0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1apq h GLU 67 Cb 1.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1apq h GLU 67 CO 0.60 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.81 1apq n ASP 68 N -3.63 0.51 0.00 1.42 5.68 -1.26 -4.91 116.55 114.36 1apq n ASP 68 Ca -0.01 0.59 0.00 0.00 -0.50 0.00 0.00 54.79 54.87 1apq n ASP 68 Cb 0.20 -0.71 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 1apq n ASP 68 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1apq n ARG 69 N -2.02 0.00 -0.07 0.11 0.00 0.27 -4.75 116.66 110.20 1apq n ARG 69 Ca 0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.74 1apq n ARG 69 Cb 0.29 -2.63 -0.06 0.00 0.00 0.00 0.00 32.46 30.07 1apq n ARG 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1apq n HIS 70 N -2.00 0.00 -2.56 -0.14 8.25 -1.26 -4.58 115.22 112.93 1apq n HIS 70 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1apq n HIS 70 Cb 0.00 -0.53 -0.04 0.00 1.12 0.00 0.00 29.99 30.54 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 -6.15 7.29 0.11 0.41 0.01 -1.26 -0.45 113.70 113.65 1apq s SER 71 Ca -0.20 1.99 0.07 0.00 1.31 0.00 0.00 55.95 59.11 1apq s SER 71 Cb 0.07 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1apq s SER 71 CO 0.27 -0.23 -0.09 0.00 0.41 0.00 0.00 173.24 173.60 1apq s GLN 73 N -2.25 0.97 -1.27 0.00 -2.07 0.34 -4.96 119.66 110.42 1apq s GLN 73 Ca 0.22 -1.37 -0.18 0.00 -1.82 0.00 0.00 55.36 52.21 1apq s GLN 73 Cb -0.11 0.27 0.08 0.00 -1.09 0.00 0.00 33.01 32.17 1apq s GLN 73 CO 0.14 -0.29 1.68 0.00 -1.32 0.00 0.00 175.29 175.50 1apq s ALA 74 N -4.03 3.40 0.00 2.60 0.00 -1.26 -0.55 121.76 121.92 1apq s ALA 74 Ca 0.22 -2.96 0.00 0.00 0.00 0.00 0.00 51.96 49.22 1apq s ALA 74 Cb 0.07 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.62 1apq s ALA 74 CO 0.01 -3.23 0.00 0.39 0.00 0.00 0.00 175.76 172.93