#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 1.10 -0.93 0.00 3.04 -2.03 -3.42 116.25 114.00 1apq h VAL 24 Ca 0.00 -0.41 -0.57 0.00 -1.01 0.00 0.00 66.70 64.71 1apq h VAL 24 Cb 0.00 -0.20 -0.06 0.00 -2.01 0.00 0.00 31.29 29.02 1apq h VAL 24 CO 0.00 0.22 -0.38 -0.62 -1.01 0.00 0.00 177.57 175.78 1apq s ASP 25 N -5.91 4.60 0.66 3.17 -1.08 -1.26 -5.11 116.67 111.73 1apq s ASP 25 Ca -0.12 -1.17 -0.18 0.00 -0.52 0.00 0.00 52.55 50.56 1apq s ASP 25 Cb 0.20 0.07 -0.01 0.00 -1.46 0.00 0.00 42.92 41.72 1apq s ASP 25 CO 0.81 -0.88 1.27 0.18 0.52 0.00 0.00 175.17 177.07 1apq n LEU 26 N -1.56 5.82 -3.53 -1.34 4.77 -1.26 -4.84 117.00 115.05 1apq n LEU 26 Ca -0.02 0.81 -0.40 0.00 -0.03 0.00 0.00 56.01 56.37 1apq n LEU 26 Cb 0.64 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.17 1apq n LEU 26 CO 0.41 -1.09 2.93 0.47 -1.33 0.00 0.00 177.39 178.78 1apq n ASP 27 N -1.91 5.78 -0.30 -1.43 8.00 -1.26 -4.60 116.55 120.83 1apq n ASP 27 Ca 0.16 -2.70 -0.01 0.00 0.71 0.00 0.00 54.79 52.95 1apq n ASP 27 Cb 0.48 -1.57 0.18 0.00 -0.02 0.00 0.00 41.12 40.19 1apq n ASP 27 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1apq h GLU 28 N 5.72 1.15 -0.89 -1.24 4.39 -1.88 0.87 114.58 122.70 1apq h GLU 28 Ca 0.68 -0.07 0.11 0.00 0.34 0.00 0.00 59.36 60.42 1apq h GLU 28 Cb 0.48 -0.26 -0.08 0.00 -0.10 0.00 0.00 28.75 28.79 1apq h GLU 28 CO 1.84 0.76 0.53 0.00 -1.16 0.00 0.00 179.01 180.97 1apq h ALA 30 N 1.50 0.16 -0.36 0.00 0.00 -1.55 -3.35 119.26 115.66 1apq h ALA 30 Ca 0.44 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1apq h ALA 30 Cb 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1apq h ALA 30 CO -0.27 0.26 -0.15 0.77 0.00 0.00 0.00 179.25 179.87 1apq h SER 31 N -0.05 0.75 -3.00 0.00 0.02 -0.46 -3.41 113.55 107.41 1apq h SER 31 Ca -0.02 -0.39 -0.72 0.00 -0.84 0.00 0.00 61.79 59.81 1apq h SER 31 Cb 1.03 -0.21 -0.21 0.00 0.14 0.00 0.00 62.40 63.16 1apq h SER 31 CO 0.08 0.98 0.15 -0.13 -1.14 0.00 0.00 176.83 176.77 1apq s ARG 32 N -4.67 3.18 -0.66 3.45 0.52 0.58 -4.96 118.95 116.39 1apq s ARG 32 Ca -0.13 -1.57 -0.06 0.00 -0.52 0.00 0.00 55.73 53.46 1apq s ARG 32 Cb 0.10 -4.36 -0.12 0.00 0.52 0.00 0.00 34.95 31.09 1apq s ARG 32 CO 0.82 -1.51 2.51 0.43 0.02 0.00 0.00 175.30 177.57 1apq n SER 33 N 5.91 5.10 -4.68 0.23 7.64 -1.26 -4.81 113.62 121.75 1apq n SER 33 Ca -0.03 -2.31 -0.42 0.00 1.01 0.00 0.00 58.87 57.12 1apq n SER 33 Cb 0.43 -1.14 -0.03 0.00 -1.01 0.00 0.00 64.21 62.47 1apq n SER 33 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1apq s LYS 34 N 2.42 4.28 -0.43 1.43 2.20 -1.26 -4.15 119.74 124.22 1apq s LYS 34 Ca 0.48 1.93 -0.06 0.00 -0.36 0.00 0.00 55.97 57.95 1apq s LYS 34 Cb 0.17 -3.61 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 1apq s LYS 34 CO -0.02 -0.59 0.27 0.43 -0.36 0.00 0.00 175.35 175.08 1apq n SER 35 N 5.56 -1.94 -3.90 1.43 7.64 -1.26 -4.47 113.62 116.67 1apq n SER 35 Ca 0.13 -0.48 -0.11 0.00 1.01 0.00 0.00 58.87 59.41 1apq n SER 35 Cb 0.44 -0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 62.89 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 -3.22 1.05 0.00 0.23 0.00 -1.26 -4.72 107.32 99.40 1apq s GLY 36 Ca 0.09 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1apq s GLY 36 CO 0.40 -0.96 0.00 1.18 0.00 0.00 0.00 173.10 173.72 1apq n GLU 37 N -0.39 0.00 -1.14 2.90 4.71 -0.94 -4.13 120.64 121.65 1apq n GLU 37 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.96 1apq n GLU 37 Cb 0.63 0.00 -0.13 0.00 -1.01 0.00 0.00 31.44 30.93 1apq n GLU 37 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1apq n GLU 38 N 0.00 2.44 0.00 3.49 1.02 -1.26 -4.40 120.64 121.93 1apq n GLU 38 Ca 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 55.69 1apq n GLU 38 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 1apq n GLU 38 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1apq n ASP 39 N 2.48 0.00 -3.31 1.62 2.03 -1.26 -5.05 116.55 113.07 1apq n ASP 39 Ca 0.51 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.50 1apq n ASP 39 Cb 0.73 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.11 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 -0.06 2.75 -3.72 -0.67 -0.04 -1.26 -4.54 135.00 127.46 1apq n PRO 40 Ca 0.00 -1.88 -0.12 0.00 -0.04 0.00 0.00 63.50 61.46 1apq n PRO 40 Cb 0.00 -2.70 -0.13 0.00 -0.04 0.00 0.00 33.50 30.63 1apq n PRO 40 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1apq s GLN 41 N 3.02 0.22 -1.14 0.54 -0.21 -1.26 -5.01 119.66 115.82 1apq s GLN 41 Ca 0.54 0.58 -0.17 0.00 0.02 0.00 0.00 55.36 56.32 1apq s GLN 41 Cb 0.14 -0.10 -0.05 0.00 1.00 0.00 0.00 33.01 33.99 1apq s GLN 41 CO -0.04 -0.18 2.10 -0.35 -2.12 0.00 0.00 175.29 174.71 1apq n PRO 42 N 4.35 2.24 -0.63 2.91 -0.04 -1.26 -2.21 135.00 140.37 1apq n PRO 42 Ca -0.23 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.00 1apq n PRO 42 Cb 0.53 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 1apq n PRO 42 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1apq n GLN 43 N 6.43 0.00 -3.55 0.54 6.02 -1.26 -4.84 117.38 120.72 1apq n GLN 43 Ca 0.51 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.44 1apq n GLN 43 Cb 0.39 -3.61 -0.02 0.00 1.02 0.00 0.00 30.24 28.02 1apq n GLN 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1apq n GLN 45 N -0.13 0.00 0.00 0.00 10.64 0.60 -4.74 117.38 123.74 1apq n GLN 45 Ca -0.04 0.12 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 1apq n GLN 45 Cb 0.60 -0.41 0.00 0.00 -0.86 0.00 0.00 30.24 29.57 1apq n GLN 45 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1apq n HIS 46 N -0.34 0.00 -4.65 2.61 8.25 -1.26 -4.56 115.22 115.27 1apq n HIS 46 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1apq n HIS 46 Cb 0.00 0.09 -0.15 0.00 1.12 0.00 0.00 29.99 31.04 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 -4.13 1.96 0.40 2.41 -0.00 -1.19 -4.96 118.68 113.16 1apq s LEU 47 Ca 0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 54.13 53.84 1apq s LEU 47 Cb 0.00 -0.75 -0.04 0.00 -0.00 0.00 0.00 46.19 45.40 1apq s LEU 47 CO 0.00 0.15 0.64 0.00 -0.00 0.00 0.00 176.35 177.14 1apq s HIS 49 N -2.47 -0.78 0.56 0.00 3.76 -1.26 -4.80 115.29 110.29 1apq s HIS 49 Ca 0.43 1.51 -0.02 0.00 -0.15 0.00 0.00 55.06 56.83 1apq s HIS 49 Cb -0.10 0.31 0.02 0.00 1.11 0.00 0.00 32.58 33.92 1apq s HIS 49 CO 0.39 -0.46 0.82 -0.80 -0.85 0.00 0.00 174.74 173.84 1apq s ASN 50 N 2.41 5.47 0.37 1.40 0.01 -1.26 -0.61 114.94 122.74 1apq s ASN 50 Ca -0.03 0.38 -0.16 0.00 -0.71 0.00 0.00 52.86 52.34 1apq s ASN 50 Cb -0.11 -1.37 0.05 0.00 0.41 0.00 0.00 41.25 40.23 1apq s ASN 50 CO -0.13 -1.06 0.77 -0.72 -1.51 0.00 0.00 177.10 174.46 1apq s TYR 51 N -2.85 0.12 -0.06 2.20 1.13 0.59 -4.78 117.35 113.69 1apq s TYR 51 Ca 0.54 -0.76 -0.32 0.00 -1.41 0.00 0.00 57.07 55.12 1apq s TYR 51 Cb -0.10 0.80 -0.10 0.00 -1.10 0.00 0.00 41.96 41.46 1apq s TYR 51 CO 0.41 -1.53 1.97 1.55 -2.51 0.00 0.00 175.55 175.44 1apq n VAL 52 N -0.52 0.62 -1.20 -3.49 3.14 -1.26 -1.17 118.33 114.44 1apq n VAL 52 Ca -0.08 -0.16 -0.07 0.00 -2.96 0.00 0.00 64.34 61.07 1apq n VAL 52 Cb 0.60 -2.11 -0.03 0.00 -1.06 0.00 0.00 33.84 31.24 1apq n VAL 52 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1apq n GLY 53 N 4.69 0.78 0.00 7.55 0.00 -1.26 -4.90 105.19 112.05 1apq n GLY 53 Ca 0.23 -0.13 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 -0.50 1.21 3.22 -0.02 0.00 -0.32 -5.10 105.19 103.67 1apq n GLY 54 Ca -0.07 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.43 -0.41 0.00 1.61 1.13 -1.26 -0.30 117.35 114.69 1apq s TYR 55 Ca 0.00 0.97 0.00 0.00 -1.41 0.00 0.00 57.07 56.63 1apq s TYR 55 Cb 0.00 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 41.00 1apq s TYR 55 CO 0.00 -0.21 0.00 1.97 -2.51 0.00 0.00 175.55 174.80 1apq n PHE 56 N 3.26 0.00 0.00 -3.49 -1.74 0.22 -4.95 117.46 110.77 1apq n PHE 56 Ca -0.16 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.73 1apq n PHE 56 Cb 0.57 -0.14 0.00 0.00 1.52 0.00 0.00 39.48 41.43 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 0.00 -1.18 -4.06 0.00 7.64 -0.19 -4.82 113.62 111.01 1apq n SER 58 Ca 0.00 -3.04 -0.10 0.00 1.01 0.00 0.00 58.87 56.74 1apq n SER 58 Cb 0.00 2.31 -0.08 0.00 -1.01 0.00 0.00 64.21 65.43 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 -4.03 2.27 0.73 0.00 0.52 -1.26 -4.97 118.95 112.22 1apq s ARG 60 Ca 0.23 1.87 -0.15 0.00 -0.52 0.00 0.00 55.73 57.15 1apq s ARG 60 Cb 0.05 -1.84 0.03 0.00 0.52 0.00 0.00 34.95 33.71 1apq s ARG 60 CO 0.03 -1.76 1.14 -2.30 0.02 0.00 0.00 175.30 172.43 1apq n PRO 61 N -2.44 0.55 -0.91 3.54 -0.02 -1.26 -3.19 135.00 131.27 1apq n PRO 61 Ca 0.14 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1apq n PRO 61 Cb 0.49 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.85 0.49 3.32 -1.23 0.00 -1.26 -5.04 105.19 102.32 1apq n GLY 62 Ca 0.14 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 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 1.75 -0.12 1.61 1.51 -1.19 -0.60 117.35 118.30 1apq s TYR 63 Ca 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1apq s TYR 63 Cb 0.00 -0.86 0.02 0.00 -0.11 0.00 0.00 41.96 41.01 1apq s TYR 63 CO 0.00 0.32 -0.12 -2.00 -1.11 0.00 0.00 175.55 172.64 1apq s GLU 64 N -2.97 1.98 0.03 -0.62 2.12 0.72 -4.84 118.70 115.13 1apq s GLU 64 Ca 0.16 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 54.75 1apq s GLU 64 Cb -0.05 -1.85 -0.06 0.00 0.26 0.00 0.00 34.13 32.43 1apq s GLU 64 CO 0.06 -0.20 1.46 -1.17 -0.54 0.00 0.00 175.26 174.87 1apq s LEU 65 N 1.43 4.33 0.81 2.70 2.96 -1.26 -0.66 118.68 128.99 1apq s LEU 65 Ca 0.02 2.23 -0.11 0.00 -0.22 0.00 0.00 54.13 56.05 1apq s LEU 65 Cb -0.13 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.09 1apq s LEU 65 CO -0.07 -0.76 1.16 -1.10 -1.32 0.00 0.00 176.35 174.26 1apq s GLN 66 N 2.32 1.83 0.48 1.98 -1.52 -0.12 -4.92 119.66 119.70 1apq s GLN 66 Ca 0.66 -0.05 0.28 0.00 -1.95 0.00 0.00 55.36 54.31 1apq s GLN 66 Cb -0.34 -1.99 1.54 0.00 -0.22 0.00 0.00 33.01 32.01 1apq s GLN 66 CO 0.28 -1.63 1.85 0.93 -0.25 0.00 0.00 175.29 176.48 1apq h GLU 67 N -1.03 0.00 0.00 2.91 3.07 -1.95 0.81 114.58 118.39 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 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1apq h GLU 67 CO 0.61 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.82 1apq n ASP 68 N -2.56 0.42 -4.17 1.42 5.75 -1.26 -4.92 116.55 111.22 1apq n ASP 68 Ca -0.02 0.55 -0.31 0.00 -0.01 0.00 0.00 54.79 55.01 1apq n ASP 68 Cb 0.14 -0.66 -0.05 0.00 -1.03 0.00 0.00 41.12 39.52 1apq n ASP 68 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1apq n ARG 69 N -1.91 -2.31 0.00 0.11 1.85 0.28 -4.71 116.66 109.97 1apq n ARG 69 Ca 0.05 0.28 0.00 0.00 -1.00 0.00 0.00 57.85 57.18 1apq n ARG 69 Cb 0.34 -4.35 0.00 0.00 -1.05 0.00 0.00 32.46 27.40 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 -4.43 0.00 -5.08 2.89 -0.00 -1.26 -4.78 115.22 102.56 1apq n HIS 70 Ca -0.21 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.22 1apq n HIS 70 Cb 0.63 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.46 1apq n HIS 70 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1apq s SER 71 N -0.74 2.70 0.20 0.26 0.01 -1.26 -0.29 113.70 114.57 1apq s SER 71 Ca 0.00 -0.45 0.05 0.00 1.31 0.00 0.00 55.95 56.86 1apq s SER 71 Cb 0.00 -0.84 -0.03 0.00 0.21 0.00 0.00 66.02 65.36 1apq s SER 71 CO 0.00 0.19 0.24 0.00 0.41 0.00 0.00 173.24 174.08 1apq s GLN 73 N -3.52 1.67 0.32 0.00 -1.52 0.17 -4.90 119.66 111.88 1apq s GLN 73 Ca 0.33 -1.86 -0.19 0.00 -1.95 0.00 0.00 55.36 51.69 1apq s GLN 73 Cb -0.09 -1.37 -0.09 0.00 -0.22 0.00 0.00 33.01 31.23 1apq s GLN 73 CO 0.26 0.06 0.80 0.00 -0.25 0.00 0.00 175.29 176.17 1apq s ALA 74 N -2.86 3.27 -2.86 6.09 0.00 -1.26 -0.20 121.76 123.94 1apq s ALA 74 Ca 0.31 0.20 0.25 0.00 0.00 0.00 0.00 51.96 52.72 1apq s ALA 74 Cb 0.04 -2.91 0.44 0.00 0.00 0.00 0.00 23.12 20.69 1apq s ALA 74 CO 0.14 0.27 1.40 0.39 0.00 0.00 0.00 175.76 177.96