#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1apq n VAL 24 N 0.00 1.25 -0.89 0.00 0.31 -1.26 -4.82 118.33 112.92 1apq n VAL 24 Ca 0.00 -0.14 -0.18 0.00 -0.01 0.00 0.00 64.34 64.01 1apq n VAL 24 Cb 0.00 -1.09 -0.09 0.00 -0.91 0.00 0.00 33.84 31.75 1apq n VAL 24 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1apq n ASP 25 N -3.43 5.26 -3.58 4.52 2.03 -1.26 -4.86 116.55 115.22 1apq n ASP 25 Ca 0.13 -2.34 -0.23 0.00 0.52 0.00 0.00 54.79 52.86 1apq n ASP 25 Cb 0.51 -1.21 0.16 0.00 -0.72 0.00 0.00 41.12 39.87 1apq n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1apq n LEU 26 N 3.12 0.00 -4.10 -2.67 -0.00 -1.26 -4.90 117.00 107.18 1apq n LEU 26 Ca 0.45 -1.22 -0.40 0.00 -0.00 0.00 0.00 56.01 54.84 1apq n LEU 26 Cb 0.51 -0.80 -0.03 0.00 -0.00 0.00 0.00 43.42 43.09 1apq n LEU 26 CO 0.40 -1.24 2.09 -0.67 -0.00 0.00 0.00 177.39 177.98 1apq n ASP 27 N -3.64 3.59 -0.21 1.45 -0.08 -1.26 -4.69 116.55 111.72 1apq n ASP 27 Ca 0.13 -2.78 0.01 0.00 -1.51 0.00 0.00 54.79 50.64 1apq n ASP 27 Cb 0.47 -1.55 0.12 0.00 2.34 0.00 0.00 41.12 42.50 1apq n ASP 27 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1apq h GLU 28 N 7.73 0.30 -0.07 -0.67 4.39 -1.90 0.28 114.58 124.64 1apq h GLU 28 Ca 0.42 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.13 1apq h GLU 28 Cb 0.77 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.29 1apq h GLU 28 CO 1.65 0.20 -0.51 0.00 -1.16 0.00 0.00 179.01 179.19 1apq h ALA 30 N -0.25 0.52 -0.89 0.00 0.00 -1.77 -2.04 119.26 114.82 1apq h ALA 30 Ca 0.03 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1apq h ALA 30 Cb 0.69 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 1apq h ALA 30 CO -0.39 -0.28 0.53 0.77 0.00 0.00 0.00 179.25 179.88 1apq h SER 31 N 0.27 0.77 0.04 0.00 0.02 0.06 -1.97 113.55 112.74 1apq h SER 31 Ca 0.22 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1apq h SER 31 Cb 0.25 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1apq h SER 31 CO -0.26 0.43 -0.03 0.03 -1.14 0.00 0.00 176.83 175.86 1apq h ARG 32 N 0.87 -0.07 -5.53 3.45 2.47 -0.04 -2.68 114.38 112.84 1apq h ARG 32 Ca 0.44 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.81 1apq h ARG 32 Cb 0.41 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.70 1apq h ARG 32 CO -0.26 -0.05 1.12 -1.12 0.56 0.00 0.00 179.97 180.23 1apq s SER 33 N -5.13 5.19 0.00 7.04 0.01 -0.74 -3.37 113.70 116.70 1apq s SER 33 Ca -0.13 -1.61 0.00 0.00 1.31 0.00 0.00 55.95 55.52 1apq s SER 33 Cb 0.06 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1apq s SER 33 CO 0.66 -2.88 0.00 1.17 0.41 0.00 0.00 173.24 172.60 1apq n LYS 34 N 8.37 0.00 -0.99 12.44 0.00 -0.03 -4.75 118.16 133.19 1apq n LYS 34 Ca 0.44 0.16 -0.30 0.00 0.00 0.00 0.00 58.31 58.61 1apq n LYS 34 Cb 0.47 -0.58 -0.02 0.00 0.00 0.00 0.00 35.03 34.89 1apq n LYS 34 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1apq n SER 35 N -0.42 5.26 0.00 3.14 7.64 -1.01 -4.61 113.62 123.62 1apq n SER 35 Ca 0.00 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.41 1apq n SER 35 Cb 0.19 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 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 3.87 1.29 3.71 0.23 0.00 -1.26 -4.89 105.19 108.14 1apq n GLY 36 Ca 0.53 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 1.18 -1.33 1.61 0.41 -1.26 -4.89 118.70 114.42 1apq s GLU 37 Ca 0.00 0.87 -0.12 0.00 -0.41 0.00 0.00 54.97 55.31 1apq s GLU 37 Cb 0.00 -1.80 -0.06 0.00 -1.78 0.00 0.00 34.13 30.50 1apq s GLU 37 CO 0.00 -2.31 2.46 0.39 -0.49 0.00 0.00 175.26 175.32 1apq n GLU 38 N -3.93 2.87 -3.34 1.61 1.02 -1.26 -4.62 120.64 112.98 1apq n GLU 38 Ca 0.07 -2.11 -0.26 0.00 -0.02 0.00 0.00 57.16 54.84 1apq n GLU 38 Cb 0.55 -2.87 -0.07 0.00 -0.02 0.00 0.00 31.44 29.02 1apq n GLU 38 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1apq n ASP 39 N 4.86 3.18 -3.42 1.62 5.75 -1.26 -4.99 116.55 122.28 1apq n ASP 39 Ca 0.61 -3.33 -0.35 0.00 -0.01 0.00 0.00 54.79 51.70 1apq n ASP 39 Cb 0.27 -0.66 -0.02 0.00 -1.03 0.00 0.00 41.12 39.68 1apq n ASP 39 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1apq n PRO 40 N 0.85 2.62 -1.97 0.11 -0.04 -1.26 -0.85 135.00 134.46 1apq n PRO 40 Ca 0.28 -1.99 -0.39 0.00 -0.04 0.00 0.00 63.50 61.36 1apq n PRO 40 Cb 0.43 -2.82 0.01 0.00 -0.04 0.00 0.00 33.50 31.08 1apq n PRO 40 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1apq s GLN 41 N 3.30 3.78 -1.10 0.54 -2.07 -1.26 -4.81 119.66 118.04 1apq s GLN 41 Ca 0.53 2.20 -0.20 0.00 -1.82 0.00 0.00 55.36 56.08 1apq s GLN 41 Cb 0.14 -2.64 -0.07 0.00 -1.09 0.00 0.00 33.01 29.36 1apq s GLN 41 CO -0.02 -0.67 1.96 -0.35 -1.32 0.00 0.00 175.29 174.88 1apq n PRO 42 N -0.15 2.06 -0.18 9.60 -0.04 -1.26 -4.26 135.00 140.77 1apq n PRO 42 Ca 0.05 -2.38 -0.02 0.00 -0.04 0.00 0.00 63.50 61.11 1apq n PRO 42 Cb 0.44 -3.30 0.08 0.00 -0.04 0.00 0.00 33.50 30.68 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 7.96 0.35 -2.64 0.54 5.75 -1.90 -3.44 115.11 121.73 1apq h GLN 43 Ca 0.40 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.83 1apq h GLN 43 Cb 0.77 -0.08 -0.16 0.00 1.07 0.00 0.00 27.48 29.08 1apq h GLN 43 CO 1.67 0.23 0.10 0.00 -2.65 0.00 0.00 178.83 178.19 1apq h GLN 45 N 2.69 0.09 0.00 0.00 7.50 -1.17 -3.43 115.11 120.79 1apq h GLN 45 Ca -0.31 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.84 1apq h GLN 45 Cb 1.21 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.72 1apq h GLN 45 CO 0.40 0.06 0.00 0.72 -1.50 0.00 0.00 178.83 178.51 1apq n HIS 46 N -5.11 0.00 -4.12 2.96 8.25 -1.26 -5.02 115.22 110.92 1apq n HIS 46 Ca -0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.29 1apq n HIS 46 Cb 0.10 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.58 1.09 0.18 2.41 -0.00 -0.93 -5.04 118.68 115.81 1apq s LEU 47 Ca 0.00 -1.49 -0.02 0.00 -0.00 0.00 0.00 54.13 52.62 1apq s LEU 47 Cb 0.00 1.30 -0.04 0.00 -0.00 0.00 0.00 46.19 47.46 1apq s LEU 47 CO 0.00 -1.24 0.13 0.00 -0.00 0.00 0.00 176.35 175.25 1apq s HIS 49 N -4.10 0.69 0.71 0.00 0.09 0.12 -4.93 115.29 107.88 1apq s HIS 49 Ca 0.32 -0.38 -0.10 0.00 -0.00 0.00 0.00 55.06 54.90 1apq s HIS 49 Cb 0.07 -0.42 0.04 0.00 -0.00 0.00 0.00 32.58 32.26 1apq s HIS 49 CO 0.08 -0.05 1.08 -0.80 -0.00 0.00 0.00 174.74 175.05 1apq s ASN 50 N -1.16 5.13 -0.03 1.40 -0.87 -1.26 -0.55 114.94 117.60 1apq s ASN 50 Ca -0.05 0.88 -0.18 0.00 -1.57 0.00 0.00 52.86 51.93 1apq s ASN 50 Cb -0.08 -1.60 0.06 0.00 -0.02 0.00 0.00 41.25 39.61 1apq s ASN 50 CO 0.00 -1.48 0.82 0.00 -2.57 0.00 0.00 177.10 173.87 1apq n TYR 51 N -3.01 -0.21 -0.33 2.20 4.11 -0.92 -4.74 117.16 114.26 1apq n TYR 51 Ca 0.07 -0.41 0.08 0.00 -0.00 0.00 0.00 57.90 57.64 1apq n TYR 51 Cb 0.59 0.18 0.25 0.00 -0.00 0.00 0.00 39.34 40.36 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 1.62 0.78 -0.04 -3.48 3.04 -1.99 -0.47 116.25 115.71 1apq h VAL 52 Ca -0.13 -0.26 -0.03 0.00 -1.01 0.00 0.00 66.70 65.27 1apq h VAL 52 Cb 0.74 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 29.96 1apq h VAL 52 CO 0.19 0.14 0.04 0.61 -1.01 0.00 0.00 177.57 177.54 1apq n GLY 53 N -1.33 2.49 5.44 3.17 0.00 -1.26 -4.87 105.19 108.82 1apq n GLY 53 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.10 1.88 3.53 -0.02 0.00 -0.19 -4.71 105.19 106.78 1apq n GLY 54 Ca 0.03 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.66 -0.13 1.61 -0.85 -1.26 -2.16 117.35 113.90 1apq s TYR 55 Ca 0.00 1.43 -0.01 0.00 -0.52 0.00 0.00 57.07 57.97 1apq s TYR 55 Cb 0.00 0.30 -0.02 0.00 0.38 0.00 0.00 41.96 42.62 1apq s TYR 55 CO 0.00 -0.45 -0.09 -0.59 -1.52 0.00 0.00 175.55 172.90 1apq s PHE 56 N -0.33 2.90 0.82 -3.49 -0.71 0.29 -4.93 117.98 112.53 1apq s PHE 56 Ca -0.05 -0.41 -0.12 0.00 -1.04 0.00 0.00 56.93 55.30 1apq s PHE 56 Cb -0.03 -1.86 0.10 0.00 -1.21 0.00 0.00 43.02 40.02 1apq s PHE 56 CO 0.04 -0.06 1.19 0.00 -1.34 0.00 0.00 175.22 175.05 1apq s SER 58 N -4.62 0.03 0.19 0.00 0.01 0.36 -4.84 113.70 104.83 1apq s SER 58 Ca 0.64 -1.03 0.04 0.00 1.31 0.00 0.00 55.95 56.90 1apq s SER 58 Cb -0.10 0.74 -0.05 0.00 0.21 0.00 0.00 66.02 66.82 1apq s SER 58 CO 0.49 -1.48 -0.04 0.00 0.41 0.00 0.00 173.24 172.62 1apq s ARG 60 N -3.83 1.60 0.63 0.00 1.70 -1.26 -4.90 118.95 112.89 1apq s ARG 60 Ca 0.23 1.21 -0.18 0.00 -0.47 0.00 0.00 55.73 56.52 1apq s ARG 60 Cb 0.05 -1.82 -0.03 0.00 -0.57 0.00 0.00 34.95 32.57 1apq s ARG 60 CO 0.05 -2.12 1.04 -2.30 -1.08 0.00 0.00 175.30 170.89 1apq n PRO 61 N -3.85 0.90 -0.86 3.89 -0.02 -1.26 -2.14 135.00 131.66 1apq n PRO 61 Ca 0.09 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1apq n PRO 61 Cb 0.53 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.20 1.28 3.31 -1.23 0.00 -1.26 -5.01 105.19 103.48 1apq n GLY 62 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.86 1.55 -0.00 1.61 1.51 -0.91 -4.35 117.35 112.89 1apq s TYR 63 Ca 0.00 -0.63 -0.07 0.00 -1.01 0.00 0.00 57.07 55.37 1apq s TYR 63 Cb 0.00 -0.74 0.00 0.00 -0.11 0.00 0.00 41.96 41.11 1apq s TYR 63 CO 0.00 0.25 0.13 -1.21 -1.11 0.00 0.00 175.55 173.61 1apq s GLU 64 N -3.57 0.44 0.34 -0.62 0.41 0.32 -4.68 118.70 111.33 1apq s GLU 64 Ca 0.19 -0.35 -0.27 0.00 -0.41 0.00 0.00 54.97 54.13 1apq s GLU 64 Cb -0.00 0.18 -0.09 0.00 -1.78 0.00 0.00 34.13 32.44 1apq s GLU 64 CO 0.04 -0.10 1.12 -0.51 -0.49 0.00 0.00 175.26 175.33 1apq s LEU 65 N -1.24 4.37 0.77 1.80 1.43 -1.26 -1.19 118.68 123.36 1apq s LEU 65 Ca -0.13 2.28 -0.05 0.00 -1.03 0.00 0.00 54.13 55.20 1apq s LEU 65 Cb -0.07 -3.84 0.14 0.00 0.03 0.00 0.00 46.19 42.45 1apq s LEU 65 CO 0.01 -0.38 1.07 -1.10 0.23 0.00 0.00 176.35 176.18 1apq s GLN 66 N -1.89 1.49 -0.96 1.70 -1.52 0.19 -4.90 119.66 113.76 1apq s GLN 66 Ca 0.51 -0.88 -0.15 0.00 -1.95 0.00 0.00 55.36 52.88 1apq s GLN 66 Cb -0.30 -2.21 -0.09 0.00 -0.22 0.00 0.00 33.01 30.18 1apq s GLN 66 CO 0.39 -1.64 2.08 0.39 -0.25 0.00 0.00 175.29 176.26 1apq n GLU 67 N -3.05 1.99 0.00 2.91 1.02 -1.26 -1.35 120.64 120.90 1apq n GLU 67 Ca 0.14 -1.86 0.00 0.00 -0.02 0.00 0.00 57.16 55.43 1apq n GLU 67 Cb 0.60 -2.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 1apq n GLU 67 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1apq n ASP 68 N 6.08 0.00 -2.49 1.62 5.68 -1.26 -5.04 116.55 121.14 1apq n ASP 68 Ca 0.50 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.68 1apq n ASP 68 Cb 0.31 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1apq n ASP 68 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1apq n ARG 69 N 0.00 -2.37 0.00 0.11 1.85 -0.46 -4.72 116.66 111.07 1apq n ARG 69 Ca 0.00 0.53 0.00 0.00 -1.00 0.00 0.00 57.85 57.38 1apq n ARG 69 Cb 0.00 -5.12 0.00 0.00 -1.05 0.00 0.00 32.46 26.29 1apq n ARG 69 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1apq n HIS 70 N -3.32 0.00 -4.18 2.89 -0.00 -1.26 -4.64 115.22 104.72 1apq n HIS 70 Ca -0.12 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.70 1apq n HIS 70 Cb 0.60 0.04 -0.08 0.00 -0.12 0.00 0.00 29.99 30.42 1apq n HIS 70 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1apq s SER 71 N -4.18 5.67 0.10 0.26 0.01 -1.26 -0.63 113.70 113.67 1apq s SER 71 Ca 0.00 0.26 0.06 0.00 1.31 0.00 0.00 55.95 57.58 1apq s SER 71 Cb 0.00 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 1apq s SER 71 CO 0.00 0.38 -0.03 0.00 0.41 0.00 0.00 173.24 174.00 1apq s GLN 73 N -2.31 1.46 -0.19 0.00 -0.21 -0.34 -4.92 119.66 113.14 1apq s GLN 73 Ca 0.25 -1.80 -0.02 0.00 0.02 0.00 0.00 55.36 53.80 1apq s GLN 73 Cb -0.11 -0.17 0.02 0.00 1.00 0.00 0.00 33.01 33.75 1apq s GLN 73 CO 0.17 -0.35 2.50 0.00 -2.12 0.00 0.00 175.29 175.48 1apq n ALA 74 N -0.49 5.34 0.00 6.09 0.00 -1.26 -0.52 120.51 129.66 1apq n ALA 74 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1apq n ALA 74 Cb 0.66 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1apq n ALA 74 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65