#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 1.01 0.00 0.00 2.07 -1.87 -3.12 116.25 114.34 1apq h VAL 24 Ca 0.00 -0.08 -0.56 0.00 0.82 0.00 0.00 66.70 66.88 1apq h VAL 24 Cb 0.00 1.07 0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1apq h VAL 24 CO 0.00 0.02 3.23 0.47 0.02 0.00 0.00 177.57 181.31 1apq n ASP 25 N -5.08 6.46 -4.75 0.57 9.92 -1.26 -4.93 116.55 117.47 1apq n ASP 25 Ca -0.07 -2.51 -0.41 0.00 -0.53 0.00 0.00 54.79 51.27 1apq n ASP 25 Cb 0.05 -1.37 -0.03 0.00 -0.64 0.00 0.00 41.12 39.13 1apq n ASP 25 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1apq s LEU 26 N 0.40 4.48 -0.01 0.64 2.34 -1.18 -4.75 118.68 120.61 1apq s LEU 26 Ca 0.56 2.36 0.01 0.00 0.06 0.00 0.00 54.13 57.11 1apq s LEU 26 Cb 0.14 -3.62 0.01 0.00 -0.56 0.00 0.00 46.19 42.16 1apq s LEU 26 CO -0.04 -0.33 -0.01 -0.62 -1.06 0.00 0.00 176.35 174.28 1apq s ASP 27 N -0.36 0.24 -0.84 1.48 2.15 -1.26 -4.88 116.67 113.20 1apq s ASP 27 Ca 0.49 -0.03 -0.25 0.00 0.43 0.00 0.00 52.55 53.20 1apq s ASP 27 Cb -0.34 -0.06 -0.19 0.00 -0.30 0.00 0.00 42.92 42.03 1apq s ASP 27 CO 0.42 -0.01 2.23 -1.84 -0.17 0.00 0.00 175.17 175.79 1apq n GLU 28 N 3.31 0.00 -3.58 4.34 0.28 -1.26 -1.01 120.64 122.72 1apq n GLU 28 Ca -0.16 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.57 1apq n GLU 28 Cb 0.57 -1.22 -0.00 0.00 1.43 0.00 0.00 31.44 32.21 1apq n GLU 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1apq n ALA 30 N -3.84 2.43 0.02 0.00 0.00 -0.18 -4.91 120.51 114.03 1apq n ALA 30 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1apq n ALA 30 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 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 0.24 -3.56 0.00 4.64 -1.84 -3.48 113.55 109.56 1apq h SER 31 Ca 0.00 -0.45 0.32 0.00 -0.47 0.00 0.00 61.79 61.19 1apq h SER 31 Cb 0.00 -0.08 -0.13 0.00 -0.31 0.00 0.00 62.40 61.88 1apq h SER 31 CO 0.00 1.39 -0.82 0.54 -0.87 0.00 0.00 176.83 177.08 1apq n ARG 32 N -3.31 -2.71 0.08 4.77 3.00 -1.15 -4.16 116.66 113.18 1apq n ARG 32 Ca -0.20 2.05 -0.04 0.00 -0.01 0.00 0.00 57.85 59.65 1apq n ARG 32 Cb 1.04 -3.22 -0.02 0.00 0.00 0.00 0.00 32.46 30.26 1apq n ARG 32 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1apq h SER 33 N -1.19 -0.20 -1.39 0.55 4.64 -1.85 0.39 113.55 114.50 1apq h SER 33 Ca -0.09 0.01 -0.70 0.00 -0.47 0.00 0.00 61.79 60.54 1apq h SER 33 Cb 1.17 0.05 -0.12 0.00 -0.31 0.00 0.00 62.40 63.19 1apq h SER 33 CO 0.04 0.02 1.83 -0.54 -0.87 0.00 0.00 176.83 177.32 1apq s LYS 34 N -2.40 4.00 -0.69 4.77 1.02 -1.26 0.46 119.74 125.64 1apq s LYS 34 Ca -0.04 -2.17 -0.24 0.00 0.02 0.00 0.00 55.97 53.55 1apq s LYS 34 Cb 0.00 -5.34 -0.19 0.00 -0.52 0.00 0.00 37.83 31.78 1apq s LYS 34 CO 0.11 -2.07 1.87 0.43 -0.92 0.00 0.00 175.35 174.77 1apq n SER 35 N 7.38 2.30 -3.74 2.83 7.64 -1.26 -4.51 113.62 124.25 1apq n SER 35 Ca 0.43 -2.65 -0.11 0.00 1.01 0.00 0.00 58.87 57.56 1apq n SER 35 Cb 0.45 -1.09 -0.05 0.00 -1.01 0.00 0.00 64.21 62.51 1apq n SER 35 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1apq s GLY 36 N 5.59 0.85 0.19 0.23 0.00 -1.26 -4.97 107.32 107.95 1apq s GLY 36 Ca 0.61 -1.10 0.05 0.00 0.00 0.00 0.00 44.72 44.28 1apq s GLY 36 CO 0.16 -0.76 0.16 -0.54 0.00 0.00 0.00 173.10 172.12 1apq s GLU 37 N -3.66 2.95 -1.43 2.90 0.41 -1.26 -4.44 118.70 114.16 1apq s GLU 37 Ca 0.25 -0.90 -0.01 0.00 -0.41 0.00 0.00 54.97 53.90 1apq s GLU 37 Cb -0.00 -2.65 0.01 0.00 -1.78 0.00 0.00 34.13 29.71 1apq s GLU 37 CO 0.12 0.46 0.44 0.39 -0.49 0.00 0.00 175.26 176.19 1apq n GLU 38 N -0.59 -3.29 0.20 1.61 -0.58 -1.26 -4.75 120.64 111.97 1apq n GLU 38 Ca -0.08 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1apq n GLU 38 Cb 0.55 -4.57 0.00 0.00 -0.57 0.00 0.00 31.44 26.86 1apq n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1apq n ASP 39 N -2.96 -3.03 -4.72 1.62 -0.08 -1.26 -5.13 116.55 100.99 1apq n ASP 39 Ca -0.28 0.74 -0.32 0.00 -1.51 0.00 0.00 54.79 53.42 1apq n ASP 39 Cb 0.67 2.90 0.12 0.00 2.34 0.00 0.00 41.12 47.15 1apq n ASP 39 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1apq s PRO 40 N -1.86 1.74 0.52 -0.67 0.04 -1.26 -4.96 135.00 128.54 1apq s PRO 40 Ca 0.00 1.42 -0.22 0.00 0.04 0.00 0.00 61.00 62.24 1apq s PRO 40 Cb 0.00 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 1apq s PRO 40 CO 0.00 -2.07 1.14 0.00 0.04 0.00 0.00 177.00 176.11 1apq n GLN 41 N -3.67 1.40 -0.57 4.56 0.00 -1.26 -4.97 117.38 112.88 1apq n GLN 41 Ca 0.11 0.52 -0.30 0.00 0.00 0.00 0.00 57.00 57.32 1apq n GLN 41 Cb 0.52 -2.29 0.21 0.00 0.00 0.00 0.00 30.24 28.68 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 -0.58 -2.20 0.00 2.61 -0.02 -1.26 -5.03 135.00 128.53 1apq n PRO 42 Ca 0.11 -0.62 0.00 0.00 -2.02 0.00 0.00 63.50 60.96 1apq n PRO 42 Cb 0.43 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1apq n PRO 42 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1apq n GLN 43 N -3.24 0.00 0.00 -0.52 7.27 -1.26 -5.07 117.38 114.56 1apq n GLN 43 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1apq n GLN 43 Cb 0.58 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.23 1apq n GLN 43 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1apq h GLN 45 N 0.00 0.31 0.00 0.00 7.50 -1.28 -3.46 115.11 118.19 1apq h GLN 45 Ca 0.00 -0.13 0.00 0.00 0.50 0.00 0.00 58.65 59.02 1apq h GLN 45 Cb 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.52 1apq h GLN 45 CO 0.00 0.62 0.00 0.72 -1.50 0.00 0.00 178.83 178.67 1apq n HIS 46 N -4.66 0.00 -4.57 2.96 8.25 -1.26 -5.03 115.22 110.91 1apq n HIS 46 Ca -0.06 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.06 1apq n HIS 46 Cb 0.28 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.29 1apq n HIS 46 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1apq s LEU 47 N 0.00 3.25 0.23 2.41 0.20 -0.22 -5.00 118.68 119.54 1apq s LEU 47 Ca 0.00 0.01 0.10 0.00 0.69 0.00 0.00 54.13 54.93 1apq s LEU 47 Cb 0.00 -1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 44.00 1apq s LEU 47 CO 0.00 0.37 -0.08 0.00 -0.29 0.00 0.00 176.35 176.34 1apq s HIS 49 N -2.04 -0.17 0.35 0.00 3.76 0.55 -4.88 115.29 112.85 1apq s HIS 49 Ca 0.28 0.60 -0.17 0.00 -0.15 0.00 0.00 55.06 55.62 1apq s HIS 49 Cb -0.07 -0.25 -0.09 0.00 1.11 0.00 0.00 32.58 33.28 1apq s HIS 49 CO 0.17 -0.26 0.79 1.21 -0.85 0.00 0.00 174.74 175.79 1apq s ASN 50 N 2.18 6.83 0.00 1.40 3.84 -1.26 -0.51 114.94 127.42 1apq s ASN 50 Ca 0.02 1.39 0.00 0.00 0.21 0.00 0.00 52.86 54.48 1apq s ASN 50 Cb -0.12 -2.42 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 1apq s ASN 50 CO -0.06 -0.23 0.00 0.00 -2.79 0.00 0.00 177.10 174.02 1apq n TYR 51 N -0.39 -0.27 -2.15 0.43 4.11 0.56 -4.93 117.16 114.52 1apq n TYR 51 Ca 0.04 0.00 -0.38 0.00 -0.00 0.00 0.00 57.90 57.56 1apq n TYR 51 Cb 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.87 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 -2.61 2.87 0.00 -3.48 0.11 -1.26 -3.08 120.40 112.94 1apq s VAL 52 Ca 0.00 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 1apq s VAL 52 Cb 0.00 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 1apq s VAL 52 CO 0.00 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 1apq n GLY 53 N 0.55 1.09 0.00 6.54 0.00 -1.26 -4.75 105.19 107.36 1apq n GLY 53 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.71 3.27 -0.02 0.00 -1.18 -4.67 105.19 101.88 1apq n GLY 54 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.00 1.62 0.17 1.61 -0.85 -1.26 -0.32 117.35 114.31 1apq s TYR 55 Ca 0.00 -0.48 0.02 0.00 -0.52 0.00 0.00 57.07 56.09 1apq s TYR 55 Cb 0.00 -0.85 0.02 0.00 0.38 0.00 0.00 41.96 41.51 1apq s TYR 55 CO 0.00 0.21 0.16 1.97 -1.52 0.00 0.00 175.55 176.37 1apq n PHE 56 N 0.68 -1.74 -4.22 -3.49 -1.74 0.33 -4.90 117.46 102.38 1apq n PHE 56 Ca -0.16 -0.67 -0.14 0.00 -0.56 0.00 0.00 57.45 55.91 1apq n PHE 56 Cb 0.56 -0.14 -0.09 0.00 1.52 0.00 0.00 39.48 41.32 1apq n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1apq s SER 58 N -3.22 0.00 0.22 0.00 0.01 0.51 -4.89 113.70 106.34 1apq s SER 58 Ca 0.39 -1.14 0.09 0.00 1.31 0.00 0.00 55.95 56.60 1apq s SER 58 Cb 0.06 0.85 -0.05 0.00 0.21 0.00 0.00 66.02 67.09 1apq s SER 58 CO 0.17 -1.68 -0.16 0.00 0.41 0.00 0.00 173.24 171.98 1apq s ARG 60 N -3.56 2.98 0.63 0.00 3.00 -1.26 -4.91 118.95 115.84 1apq s ARG 60 Ca 0.24 1.20 -0.18 0.00 0.00 0.00 0.00 55.73 56.99 1apq s ARG 60 Cb -0.02 -1.99 -0.03 0.00 0.00 0.00 0.00 34.95 32.91 1apq s ARG 60 CO 0.09 -1.08 0.97 -2.30 0.00 0.00 0.00 175.30 172.97 1apq n PRO 61 N -2.52 0.80 -0.91 3.54 -0.02 -1.26 -2.76 135.00 131.87 1apq n PRO 61 Ca 0.09 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1apq n PRO 61 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 1.26 0.54 3.05 -1.23 0.00 -1.26 -5.04 105.19 102.51 1apq n GLY 62 Ca 0.14 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.00 0.29 -0.01 1.61 1.51 -1.11 -4.12 117.35 113.52 1apq s TYR 63 Ca 0.00 -0.63 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 1apq s TYR 63 Cb 0.00 -0.22 -0.00 0.00 -0.11 0.00 0.00 41.96 41.63 1apq s TYR 63 CO 0.00 -0.28 -0.05 -1.21 -1.11 0.00 0.00 175.55 172.89 1apq s GLU 64 N -2.32 0.49 0.05 -0.62 0.41 0.16 -4.73 118.70 112.14 1apq s GLU 64 Ca -0.08 -0.18 -0.31 0.00 -0.41 0.00 0.00 54.97 54.00 1apq s GLU 64 Cb -0.03 -0.49 -0.06 0.00 -1.78 0.00 0.00 34.13 31.77 1apq s GLU 64 CO -0.04 0.09 1.29 -0.51 -0.49 0.00 0.00 175.26 175.60 1apq s LEU 65 N 0.02 4.35 0.93 1.80 1.43 -1.26 -2.67 118.68 123.28 1apq s LEU 65 Ca 0.00 2.09 -0.15 0.00 -1.03 0.00 0.00 54.13 55.04 1apq s LEU 65 Cb -0.04 -3.57 0.17 0.00 0.03 0.00 0.00 46.19 42.78 1apq s LEU 65 CO -0.00 -0.58 1.28 -1.10 0.23 0.00 0.00 176.35 176.17 1apq s GLN 66 N 1.51 0.95 0.57 1.70 -1.52 -0.11 -4.87 119.66 117.90 1apq s GLN 66 Ca 0.61 -0.26 0.29 0.00 -1.95 0.00 0.00 55.36 54.04 1apq s GLN 66 Cb -0.31 -1.87 1.48 0.00 -0.22 0.00 0.00 33.01 32.09 1apq s GLN 66 CO 0.28 -2.22 1.93 0.93 -0.25 0.00 0.00 175.29 175.95 1apq h GLU 67 N -1.51 0.00 0.00 2.91 3.07 -1.96 0.13 114.58 117.23 1apq h GLU 67 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 1apq h GLU 67 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1apq h GLU 67 CO 0.45 0.00 0.00 0.38 -1.40 0.00 0.00 179.01 178.44 1apq h ASP 68 N 0.00 0.00 -0.67 1.42 2.03 -1.93 -3.47 116.42 113.80 1apq h ASP 68 Ca 0.24 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.25 1apq h ASP 68 Cb 1.17 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.56 1apq h ASP 68 CO -0.00 0.00 -0.26 -2.11 -1.03 0.00 0.00 179.24 175.83 1apq n ARG 69 N -2.87 -1.25 -0.02 4.15 1.85 0.47 -4.79 116.66 114.20 1apq n ARG 69 Ca 0.01 0.98 -0.02 0.00 -1.00 0.00 0.00 57.85 57.82 1apq n ARG 69 Cb 0.28 -5.20 -0.02 0.00 -1.05 0.00 0.00 32.46 26.48 1apq n ARG 69 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1apq n HIS 70 N -2.46 0.00 -2.95 2.89 8.25 -1.26 -4.72 115.22 114.97 1apq n HIS 70 Ca -0.14 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.89 1apq n HIS 70 Cb 0.53 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 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 -4.25 6.36 -0.98 0.41 0.01 -1.26 -0.72 113.70 113.27 1apq s SER 71 Ca -0.05 -0.30 -0.14 0.00 1.31 0.00 0.00 55.95 56.78 1apq s SER 71 Cb 0.01 -2.39 0.21 0.00 0.21 0.00 0.00 66.02 64.07 1apq s SER 71 CO 0.09 -1.01 1.03 0.00 0.41 0.00 0.00 173.24 173.75 1apq s GLN 73 N 0.48 2.61 -1.19 0.00 -2.07 -1.09 -4.75 119.66 113.66 1apq s GLN 73 Ca 0.28 -0.26 -0.18 0.00 -1.82 0.00 0.00 55.36 53.38 1apq s GLN 73 Cb -0.08 -2.29 -0.03 0.00 -1.09 0.00 0.00 33.01 29.52 1apq s GLN 73 CO -0.08 -0.86 2.01 0.00 -1.32 0.00 0.00 175.29 175.04 1apq n ALA 74 N -2.62 4.03 -0.69 2.60 0.00 -1.26 -0.67 120.51 121.90 1apq n ALA 74 Ca 0.06 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.90 1apq n ALA 74 Cb 0.59 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.46 1apq n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89