#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 -4.09 0.00 -1.51 -1.86 -1.18 116.25 108.86 1apq h VAL 24 Ca 0.00 -0.64 -0.48 0.00 -1.23 0.00 0.00 66.70 64.36 1apq h VAL 24 Cb 0.00 0.09 0.04 0.00 -2.13 0.00 0.00 31.29 29.28 1apq h VAL 24 CO 0.00 0.29 0.39 -0.62 -1.23 0.00 0.00 177.57 176.40 1apq s ASP 25 N -6.27 6.18 -1.19 4.19 2.15 -1.26 -4.71 116.67 115.76 1apq s ASP 25 Ca -0.12 1.96 -0.15 0.00 0.43 0.00 0.00 52.55 54.67 1apq s ASP 25 Cb 0.17 -2.56 -0.06 0.00 -0.30 0.00 0.00 42.92 40.17 1apq s ASP 25 CO 0.82 -0.89 2.23 0.18 -0.17 0.00 0.00 175.17 177.34 1apq n LEU 26 N -1.13 6.00 -3.10 -1.34 7.99 -1.26 -4.53 117.00 119.64 1apq n LEU 26 Ca 0.10 -3.60 -0.19 0.00 -0.01 0.00 0.00 56.01 52.31 1apq n LEU 26 Cb 0.52 -1.39 -0.03 0.00 -0.11 0.00 0.00 43.42 42.42 1apq n LEU 26 CO 0.41 0.72 -0.16 -0.67 -1.51 0.00 0.00 177.39 176.17 1apq n ASP 27 N 5.88 -0.13 0.00 -1.43 2.03 -1.26 -4.80 116.55 116.84 1apq n ASP 27 Ca 0.54 -2.97 0.00 0.00 0.52 0.00 0.00 54.79 52.88 1apq n ASP 27 Cb 0.33 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1apq n ASP 27 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1apq n GLU 28 N 0.90 0.00 0.00 -0.67 1.02 -1.26 -4.72 120.64 115.91 1apq n GLU 28 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1apq n GLU 28 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 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 -1.29 -3.38 0.00 0.00 -1.26 -0.64 120.51 113.95 1apq n ALA 30 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1apq n ALA 30 Cb 0.00 -3.55 0.04 0.00 0.00 0.00 0.00 19.45 15.93 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 -2.69 -5.53 -4.64 0.00 7.64 -1.03 -4.86 113.62 102.51 1apq n SER 31 Ca 0.06 -0.45 -0.34 0.00 1.01 0.00 0.00 58.87 59.15 1apq n SER 31 Cb 0.50 -4.44 0.12 0.00 -1.01 0.00 0.00 64.21 59.38 1apq n SER 31 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1apq n ARG 32 N -4.32 0.20 -0.18 1.43 1.85 0.19 -4.82 116.66 111.01 1apq n ARG 32 Ca -0.04 0.14 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1apq n ARG 32 Cb 0.58 -2.31 0.00 0.00 -1.05 0.00 0.00 32.46 29.68 1apq n ARG 32 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1apq n SER 33 N -2.63 0.00 -3.74 2.89 2.88 -1.26 -4.63 113.62 107.13 1apq n SER 33 Ca 0.13 -1.00 -0.32 0.00 -1.33 0.00 0.00 58.87 56.35 1apq n SER 33 Cb 0.50 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.00 1apq n SER 33 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1apq n LYS 34 N -1.00 -1.05 -1.48 -1.46 3.00 -1.26 -4.97 118.16 109.94 1apq n LYS 34 Ca 0.00 0.47 -0.30 0.00 -0.00 0.00 0.00 58.31 58.49 1apq n LYS 34 Cb 0.00 -3.69 0.23 0.00 0.00 0.00 0.00 35.03 31.57 1apq n LYS 34 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1apq n SER 35 N -2.50 -0.95 0.00 3.14 3.41 -1.26 -4.79 113.62 110.66 1apq n SER 35 Ca -0.11 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 1apq n SER 35 Cb 0.59 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 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 -4.18 0.97 3.47 5.00 0.00 0.22 -4.90 105.19 105.77 1apq n GLY 36 Ca 0.16 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 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 1.66 0.00 1.61 2.02 -1.26 -0.23 118.70 122.50 1apq s GLU 37 Ca 0.00 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.11 1apq s GLU 37 Cb 0.00 -1.22 0.00 0.00 0.10 0.00 0.00 34.13 33.01 1apq s GLU 37 CO 0.00 -0.01 0.00 -1.91 0.02 0.00 0.00 175.26 173.36 1apq n GLU 38 N -0.68 0.00 0.13 1.61 2.13 -1.26 -4.86 120.64 117.71 1apq n GLU 38 Ca -0.05 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.64 1apq n GLU 38 Cb 0.65 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.27 1apq n GLU 38 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1apq h ASP 39 N 0.00 -0.29 -3.26 4.31 3.58 -2.03 -3.45 116.42 115.29 1apq h ASP 39 Ca 0.00 -0.19 -0.40 0.00 0.42 0.00 0.00 57.03 56.87 1apq h ASP 39 Cb 0.00 0.07 0.21 0.00 1.72 0.00 0.00 39.33 41.33 1apq h ASP 39 CO 0.00 0.04 0.01 -2.16 -2.88 0.00 0.00 179.24 174.25 1apq s PRO 40 N -4.86 -2.18 0.60 0.28 0.04 -1.26 -4.96 135.00 122.67 1apq s PRO 40 Ca -0.14 -0.03 -0.18 0.00 0.04 0.00 0.00 61.00 60.69 1apq s PRO 40 Cb 0.03 -1.48 -0.05 0.00 0.04 0.00 0.00 34.50 33.03 1apq s PRO 40 CO 0.58 -4.35 0.89 0.00 0.04 0.00 0.00 177.00 174.16 1apq n GLN 41 N -5.22 0.81 -1.54 4.56 0.00 -1.26 -4.86 117.38 109.86 1apq n GLN 41 Ca 0.14 0.32 -0.47 0.00 0.00 0.00 0.00 57.00 56.99 1apq n GLN 41 Cb 0.60 -2.10 -0.03 0.00 0.00 0.00 0.00 30.24 28.72 1apq n GLN 41 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1apq n PRO 42 N -0.92 0.97 -3.63 2.61 -0.02 -1.26 -4.75 135.00 128.00 1apq n PRO 42 Ca 0.14 0.34 -0.37 0.00 -2.02 0.00 0.00 63.50 61.59 1apq n PRO 42 Cb 0.48 -1.65 -0.10 0.00 -0.02 0.00 0.00 33.50 32.20 1apq n PRO 42 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1apq s GLN 43 N -1.13 4.05 0.25 -0.52 1.11 0.68 -4.96 119.66 119.13 1apq s GLN 43 Ca 0.64 -0.25 -0.30 0.00 0.01 0.00 0.00 55.36 55.46 1apq s GLN 43 Cb -0.80 -3.56 -0.15 0.00 -1.01 0.00 0.00 33.01 27.49 1apq s GLN 43 CO 0.57 0.01 1.07 0.00 0.01 0.00 0.00 175.29 176.95 1apq h GLN 45 N 2.52 0.07 0.00 0.00 7.50 -1.55 -3.41 115.11 120.24 1apq h GLN 45 Ca -0.41 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.74 1apq h GLN 45 Cb 1.34 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.85 1apq h GLN 45 CO 0.64 0.05 0.00 0.72 -1.50 0.00 0.00 178.83 178.74 1apq n HIS 46 N -5.40 0.00 -4.11 2.96 8.25 -1.26 -4.70 115.22 110.95 1apq n HIS 46 Ca 0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.50 1apq n HIS 46 Cb 0.51 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.39 0.90 -0.09 2.41 0.05 -1.04 -4.81 118.68 114.71 1apq s LEU 47 Ca 0.00 -1.19 -0.10 0.00 0.05 0.00 0.00 54.13 52.90 1apq s LEU 47 Cb 0.00 0.90 0.02 0.00 -2.05 0.00 0.00 46.19 45.06 1apq s LEU 47 CO 0.00 -0.94 0.26 0.00 -0.55 0.00 0.00 176.35 175.13 1apq s HIS 49 N -0.05 3.64 -0.03 0.00 3.76 0.94 -2.47 115.29 121.09 1apq s HIS 49 Ca -0.02 0.80 -0.09 0.00 -0.15 0.00 0.00 55.06 55.60 1apq s HIS 49 Cb -0.02 -2.22 -0.05 0.00 1.11 0.00 0.00 32.58 31.40 1apq s HIS 49 CO 0.01 0.58 0.28 -0.80 -0.85 0.00 0.00 174.74 173.95 1apq s ASN 50 N -0.72 6.57 0.21 1.40 0.01 -1.26 -0.97 114.94 120.17 1apq s ASN 50 Ca 0.20 0.67 -0.07 0.00 -0.71 0.00 0.00 52.86 52.95 1apq s ASN 50 Cb -0.15 -2.14 0.03 0.00 0.41 0.00 0.00 41.25 39.40 1apq s ASN 50 CO 0.09 0.31 0.41 0.00 -1.51 0.00 0.00 177.10 176.40 1apq n TYR 51 N 1.56 -1.64 -1.84 2.20 4.11 -0.43 -4.81 117.16 116.30 1apq n TYR 51 Ca -0.14 -1.05 -0.37 0.00 -0.00 0.00 0.00 57.90 56.35 1apq n TYR 51 Cb 0.53 0.48 0.06 0.00 -0.00 0.00 0.00 39.34 40.40 1apq n TYR 51 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1apq s VAL 52 N -2.53 2.25 0.00 -3.48 0.11 -1.26 -0.09 120.40 115.40 1apq s VAL 52 Ca 0.10 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1apq s VAL 52 Cb -0.02 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 1apq s VAL 52 CO 0.07 -0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 1apq n GLY 53 N 0.75 1.46 0.00 6.54 0.00 -1.26 -4.70 105.19 107.98 1apq n GLY 53 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -0.40 3.28 -0.02 0.00 -1.06 -4.78 105.19 102.20 1apq n GLY 54 Ca 0.00 0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.19 0.09 1.61 1.13 -1.26 0.58 117.35 119.30 1apq s TYR 55 Ca 0.00 0.17 0.07 0.00 -1.41 0.00 0.00 57.07 55.90 1apq s TYR 55 Cb 0.00 0.14 -0.03 0.00 -1.10 0.00 0.00 41.96 40.97 1apq s TYR 55 CO 0.00 -0.50 -0.19 -0.59 -2.51 0.00 0.00 175.55 171.76 1apq s PHE 56 N -2.15 1.62 0.44 -3.49 -0.71 -0.15 -4.97 117.98 108.58 1apq s PHE 56 Ca -0.08 -0.42 0.03 0.00 -1.04 0.00 0.00 56.93 55.42 1apq s PHE 56 Cb -0.02 -0.90 0.01 0.00 -1.21 0.00 0.00 43.02 40.89 1apq s PHE 56 CO -0.00 0.16 0.64 0.00 -1.34 0.00 0.00 175.22 174.67 1apq n SER 58 N -2.02 -0.79 -4.39 0.00 7.64 -0.33 -4.86 113.62 108.87 1apq n SER 58 Ca 0.03 -1.49 -0.20 0.00 1.01 0.00 0.00 58.87 58.22 1apq n SER 58 Cb 0.58 1.30 -0.10 0.00 -1.01 0.00 0.00 64.21 64.98 1apq n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1apq s ARG 60 N -3.80 1.31 0.88 0.00 1.81 -1.26 -4.87 118.95 113.01 1apq s ARG 60 Ca 0.30 0.89 -0.13 0.00 -1.72 0.00 0.00 55.73 55.07 1apq s ARG 60 Cb 0.05 -1.81 0.03 0.00 -0.45 0.00 0.00 34.95 32.78 1apq s ARG 60 CO 0.11 -2.23 0.59 -2.30 -0.68 0.00 0.00 175.30 170.79 1apq n PRO 61 N -3.88 -0.10 0.00 3.54 -0.02 -1.26 -3.07 135.00 130.20 1apq n PRO 61 Ca 0.07 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1apq n PRO 61 Cb 0.55 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 1.32 1.45 3.73 -1.23 0.00 -1.26 -4.93 105.19 104.27 1apq n GLY 62 Ca 0.09 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 2.33 -0.01 1.61 1.51 -1.18 -4.36 117.35 117.25 1apq s TYR 63 Ca 0.00 0.97 -0.14 0.00 -1.01 0.00 0.00 57.07 56.88 1apq s TYR 63 Cb 0.00 -3.29 0.02 0.00 -0.11 0.00 0.00 41.96 38.58 1apq s TYR 63 CO 0.00 -2.58 0.30 -1.21 -1.11 0.00 0.00 175.55 170.96 1apq s GLU 64 N -5.10 0.66 0.02 -0.62 0.41 0.43 -4.81 118.70 109.68 1apq s GLU 64 Ca 0.64 -0.19 -0.30 0.00 -0.41 0.00 0.00 54.97 54.71 1apq s GLU 64 Cb -0.17 0.29 -0.04 0.00 -1.78 0.00 0.00 34.13 32.43 1apq s GLU 64 CO 0.56 -0.18 1.06 -0.51 -0.49 0.00 0.00 175.26 175.70 1apq s LEU 65 N -1.31 4.37 0.00 1.80 1.43 -1.26 -0.93 118.68 122.78 1apq s LEU 65 Ca -0.13 1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 1apq s LEU 65 Cb -0.05 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.78 1apq s LEU 65 CO 0.04 -0.34 1.10 0.00 0.23 0.00 0.00 176.35 177.38 1apq n GLN 66 N 3.96 -0.91 -1.21 1.70 1.13 -0.24 -4.90 117.38 116.90 1apq n GLN 66 Ca 0.07 -1.90 -0.36 0.00 -1.94 0.00 0.00 57.00 52.87 1apq n GLN 66 Cb 0.49 -1.07 -0.02 0.00 0.11 0.00 0.00 30.24 29.75 1apq n GLN 66 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1apq n GLU 67 N -3.29 2.59 0.00 -1.09 4.71 -1.26 -2.97 120.64 119.34 1apq n GLU 67 Ca 0.14 -2.01 0.00 0.00 -0.01 0.00 0.00 57.16 55.29 1apq n GLU 67 Cb 0.51 -2.84 0.00 0.00 -1.01 0.00 0.00 31.44 28.10 1apq n GLU 67 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1apq n ASP 68 N 5.14 0.00 0.00 1.62 2.03 -1.26 -5.06 116.55 119.03 1apq n ASP 68 Ca 0.57 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.88 1apq n ASP 68 Cb 0.27 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 1apq n ASP 68 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1apq n ARG 69 N 0.00 0.00 -0.13 -0.67 0.63 -1.16 -4.42 116.66 110.92 1apq n ARG 69 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 1apq n ARG 69 Cb 0.00 -0.43 -0.10 0.00 0.45 0.00 0.00 32.46 32.38 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 0.00 0.00 -2.71 -0.14 8.25 -1.26 -4.70 115.22 114.66 1apq n HIS 70 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1apq n HIS 70 Cb 0.00 -0.94 -0.02 0.00 1.12 0.00 0.00 29.99 30.15 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 -7.09 7.02 0.05 0.41 0.01 -1.26 -1.30 113.70 111.54 1apq s SER 71 Ca -0.36 1.26 -0.01 0.00 1.31 0.00 0.00 55.95 58.16 1apq s SER 71 Cb 0.13 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1apq s SER 71 CO 0.49 -0.66 0.22 0.00 0.41 0.00 0.00 173.24 173.70 1apq s GLN 73 N -2.40 1.55 -0.24 0.00 -0.21 -0.10 -4.92 119.66 113.33 1apq s GLN 73 Ca 0.34 -1.87 -0.03 0.00 0.02 0.00 0.00 55.36 53.82 1apq s GLN 73 Cb -0.13 -0.15 0.03 0.00 1.00 0.00 0.00 33.01 33.77 1apq s GLN 73 CO 0.26 -0.41 2.58 0.00 -2.12 0.00 0.00 175.29 175.60 1apq n ALA 74 N -0.55 5.60 0.00 6.09 0.00 -1.26 -0.43 120.51 129.95 1apq n ALA 74 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 51.61 1apq n ALA 74 Cb 0.65 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1apq n ALA 74 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65