#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 3.69 0.00 0.00 0.31 -1.26 -4.56 118.33 116.52 1apq n VAL 24 Ca 0.00 -3.41 0.00 0.00 -0.01 0.00 0.00 64.34 60.92 1apq n VAL 24 Cb 0.00 -2.54 0.00 0.00 -0.91 0.00 0.00 33.84 30.39 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 5.68 0.00 -0.29 4.52 2.03 -1.26 -4.57 116.55 122.66 1apq n ASP 25 Ca 0.49 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.95 1apq n ASP 25 Cb 0.39 0.00 0.42 0.00 -0.72 0.00 0.00 41.12 41.21 1apq n ASP 25 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1apq h LEU 26 N 0.00 0.59 -8.71 -2.67 -0.00 -2.06 -3.40 115.31 99.07 1apq h LEU 26 Ca 0.00 0.06 -0.51 0.00 -0.00 0.00 0.00 57.88 57.43 1apq h LEU 26 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 1apq h LEU 26 CO 0.00 0.24 1.59 -0.67 -0.00 0.00 0.00 178.44 179.60 1apq n ASP 27 N -4.60 2.55 0.09 -0.43 -0.08 -1.26 -3.94 116.55 108.88 1apq n ASP 27 Ca 0.20 -0.26 -0.04 0.00 -1.51 0.00 0.00 54.79 53.19 1apq n ASP 27 Cb 0.61 -1.56 -0.02 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 17.93 -0.23 -0.87 -0.67 4.39 -1.90 -3.00 114.58 130.23 1apq h GLU 28 Ca -0.29 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.47 1apq h GLU 28 Cb 1.26 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.92 1apq h GLU 28 CO 1.10 -0.16 0.57 0.00 -1.16 0.00 0.00 179.01 179.37 1apq h ALA 30 N 1.50 2.35 -0.23 0.00 0.00 -1.96 0.60 119.26 121.52 1apq h ALA 30 Ca 0.35 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.32 1apq h ALA 30 Cb 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1apq h ALA 30 CO -0.11 -0.53 0.21 0.77 0.00 0.00 0.00 179.25 179.59 1apq h SER 31 N 0.20 0.00 -0.35 0.00 0.02 -0.83 0.72 113.55 113.31 1apq h SER 31 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1apq h SER 31 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1apq h SER 31 CO -0.06 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.17 1apq n ARG 32 N -4.06 2.49 -3.65 3.45 1.74 0.20 -4.86 116.66 111.98 1apq n ARG 32 Ca 0.03 -1.55 -0.27 0.00 -0.77 0.00 0.00 57.85 55.29 1apq n ARG 32 Cb 0.35 -1.60 0.04 0.00 -1.02 0.00 0.00 32.46 30.23 1apq n ARG 32 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1apq n SER 33 N 0.50 -4.23 -4.43 0.55 7.64 0.25 -4.79 113.62 109.11 1apq n SER 33 Ca 0.14 -0.93 -0.24 0.00 1.01 0.00 0.00 58.87 58.85 1apq n SER 33 Cb 0.54 -3.74 -0.09 0.00 -1.01 0.00 0.00 64.21 59.90 1apq n SER 33 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1apq n LYS 34 N -4.08 0.74 -2.69 1.43 2.85 -1.26 -4.37 118.16 110.78 1apq n LYS 34 Ca -0.15 -1.95 -0.06 0.00 -1.05 0.00 0.00 58.31 55.10 1apq n LYS 34 Cb 0.62 -3.69 0.11 0.00 -0.65 0.00 0.00 35.03 31.42 1apq n LYS 34 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1apq n SER 35 N 16.24 -1.26 -2.52 -5.58 7.64 -1.13 -4.71 113.62 122.31 1apq n SER 35 Ca 0.44 -2.42 -0.23 0.00 1.01 0.00 0.00 58.87 57.66 1apq n SER 35 Cb 0.46 0.70 -0.11 0.00 -1.01 0.00 0.00 64.21 64.25 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 -0.73 3.59 3.07 0.23 0.00 0.38 -4.92 105.19 106.82 1apq n GLY 36 Ca -0.04 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 1apq n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1apq n GLU 37 N 2.70 0.00 -4.18 1.61 -0.58 -1.26 -0.65 120.64 118.29 1apq n GLU 37 Ca 0.56 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.92 1apq n GLU 37 Cb 0.64 -1.06 -0.04 0.00 -0.57 0.00 0.00 31.44 30.42 1apq n GLU 37 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1apq n GLU 38 N 5.91 -0.76 -3.25 3.49 -0.58 -1.26 -4.93 120.64 119.27 1apq n GLU 38 Ca 0.59 0.11 -0.23 0.00 -0.42 0.00 0.00 57.16 57.20 1apq n GLU 38 Cb 0.08 -3.16 -0.08 0.00 -0.57 0.00 0.00 31.44 27.72 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 -2.56 -0.67 -4.50 1.62 2.03 0.18 -5.13 116.55 107.52 1apq n ASP 39 Ca -0.22 -2.55 -0.44 0.00 0.52 0.00 0.00 54.79 52.10 1apq n ASP 39 Cb 0.63 -0.27 -0.01 0.00 -0.72 0.00 0.00 41.12 40.75 1apq n ASP 39 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1apq n PRO 40 N 2.40 0.77 -3.55 -0.67 -0.02 -1.26 -4.82 135.00 127.84 1apq n PRO 40 Ca 0.26 0.27 -0.07 0.00 -2.02 0.00 0.00 63.50 61.94 1apq n PRO 40 Cb 0.51 -1.54 -0.03 0.00 -0.02 0.00 0.00 33.50 32.42 1apq n PRO 40 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1apq s GLN 41 N -1.44 0.58 -0.38 -0.52 -2.07 -1.26 -5.04 119.66 109.52 1apq s GLN 41 Ca 0.61 -0.14 -0.07 0.00 -1.82 0.00 0.00 55.36 53.95 1apq s GLN 41 Cb -0.72 0.27 -0.21 0.00 -1.09 0.00 0.00 33.01 31.26 1apq s GLN 41 CO 0.58 -0.24 3.26 -0.35 -1.32 0.00 0.00 175.29 177.23 1apq n PRO 42 N 0.04 2.26 -3.67 9.60 -0.04 -1.26 -3.73 135.00 138.20 1apq n PRO 42 Ca -0.06 -1.22 -0.11 0.00 -0.04 0.00 0.00 63.50 62.07 1apq n PRO 42 Cb 0.60 -2.16 -0.08 0.00 -0.04 0.00 0.00 33.50 31.81 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 1.45 0.64 -0.46 0.54 0.74 -1.26 -5.02 119.66 116.29 1apq s GLN 43 Ca 0.63 0.93 -0.27 0.00 0.05 0.00 0.00 55.36 56.70 1apq s GLN 43 Cb 0.26 0.21 -0.07 0.00 1.10 0.00 0.00 33.01 34.52 1apq s GLN 43 CO -0.01 -0.12 2.40 0.00 -0.55 0.00 0.00 175.29 177.01 1apq h GLN 45 N 18.77 -0.64 0.00 0.00 4.15 -1.29 -3.38 115.11 132.72 1apq h GLN 45 Ca -0.26 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.20 1apq h GLN 45 Cb 1.27 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.10 1apq h GLN 45 CO 1.13 -0.43 0.00 0.72 -1.93 0.00 0.00 178.83 178.33 1apq n HIS 46 N -5.47 0.00 -4.13 3.99 8.25 -1.26 -0.47 115.22 116.13 1apq n HIS 46 Ca -0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.25 1apq n HIS 46 Cb 0.39 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.87 1.01 0.29 2.41 -0.00 -1.16 -4.54 118.68 114.83 1apq s LEU 47 Ca 0.00 -1.39 -0.10 0.00 -0.00 0.00 0.00 54.13 52.65 1apq s LEU 47 Cb 0.00 1.13 0.00 0.00 -0.00 0.00 0.00 46.19 47.32 1apq s LEU 47 CO 0.00 -1.12 0.51 0.00 -0.00 0.00 0.00 176.35 175.74 1apq s HIS 49 N -3.50 2.02 0.10 0.00 3.76 0.72 -4.92 115.29 113.46 1apq s HIS 49 Ca 0.25 -0.98 -0.16 0.00 -0.15 0.00 0.00 55.06 54.02 1apq s HIS 49 Cb -0.01 -1.46 -0.07 0.00 1.11 0.00 0.00 32.58 32.16 1apq s HIS 49 CO 0.13 -0.51 0.52 -0.80 -0.85 0.00 0.00 174.74 173.24 1apq s ASN 50 N 1.05 6.89 0.28 1.40 0.01 -1.26 -0.72 114.94 122.59 1apq s ASN 50 Ca -0.05 1.10 -0.19 0.00 -0.71 0.00 0.00 52.86 53.01 1apq s ASN 50 Cb -0.15 -2.30 0.07 0.00 0.41 0.00 0.00 41.25 39.28 1apq s ASN 50 CO -0.03 0.20 0.92 -0.72 -1.51 0.00 0.00 177.10 175.96 1apq s TYR 51 N -1.29 0.08 0.23 2.20 1.13 -0.06 -4.93 117.35 114.72 1apq s TYR 51 Ca 0.32 -0.60 -0.31 0.00 -1.41 0.00 0.00 57.07 55.07 1apq s TYR 51 Cb -0.17 0.76 -0.13 0.00 -1.10 0.00 0.00 41.96 41.32 1apq s TYR 51 CO 0.18 -1.22 1.43 1.55 -2.51 0.00 0.00 175.55 174.98 1apq n VAL 52 N -0.61 0.86 0.00 -3.49 3.14 -1.26 -0.66 118.33 116.31 1apq n VAL 52 Ca -0.06 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 1apq n VAL 52 Cb 0.60 -1.50 0.00 0.00 -1.06 0.00 0.00 33.84 31.88 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 2.27 3.03 0.00 7.55 0.00 -1.26 -4.76 105.19 112.01 1apq n GLY 53 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.62 0.08 3.55 -0.02 0.00 0.16 -5.12 105.19 103.22 1apq n GLY 54 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.43 -0.01 1.61 1.13 -1.26 -0.88 117.35 117.51 1apq s TYR 55 Ca 0.00 0.16 0.02 0.00 -1.41 0.00 0.00 57.07 55.83 1apq s TYR 55 Cb 0.00 0.60 -0.00 0.00 -1.10 0.00 0.00 41.96 41.46 1apq s TYR 55 CO 0.00 -0.93 -0.05 -0.59 -2.51 0.00 0.00 175.55 171.46 1apq s PHE 56 N -3.75 0.52 0.47 -3.49 -0.71 0.10 -4.93 117.98 106.20 1apq s PHE 56 Ca 0.04 -0.10 0.03 0.00 -1.04 0.00 0.00 56.93 55.86 1apq s PHE 56 Cb -0.02 -0.36 0.01 0.00 -1.21 0.00 0.00 43.02 41.44 1apq s PHE 56 CO -0.07 -0.03 0.68 0.00 -1.34 0.00 0.00 175.22 174.45 1apq n SER 58 N -2.11 -2.12 -4.39 0.00 7.64 -0.24 -4.86 113.62 107.54 1apq n SER 58 Ca 0.05 -2.61 -0.19 0.00 1.01 0.00 0.00 58.87 57.13 1apq n SER 58 Cb 0.59 3.58 -0.10 0.00 -1.01 0.00 0.00 64.21 67.26 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 -3.79 2.36 0.53 0.00 0.52 -1.26 -4.91 118.95 112.40 1apq s ARG 60 Ca 0.29 1.34 -0.22 0.00 -0.52 0.00 0.00 55.73 56.62 1apq s ARG 60 Cb 0.05 -1.90 -0.06 0.00 0.52 0.00 0.00 34.95 33.56 1apq s ARG 60 CO 0.10 -1.59 1.26 -2.30 0.02 0.00 0.00 175.30 172.80 1apq n PRO 61 N -3.07 1.58 -1.00 3.54 -0.02 -1.26 -2.28 135.00 132.49 1apq n PRO 61 Ca 0.10 0.58 -0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1apq n PRO 61 Cb 0.52 -2.45 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.88 0.47 3.12 -1.23 0.00 -1.26 -5.04 105.19 102.12 1apq n GLY 62 Ca 0.10 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 0.66 0.04 1.61 1.51 -0.97 -4.46 117.35 113.75 1apq s TYR 63 Ca 0.00 -0.96 0.01 0.00 -1.01 0.00 0.00 57.07 55.11 1apq s TYR 63 Cb 0.00 -0.43 -0.02 0.00 -0.11 0.00 0.00 41.96 41.39 1apq s TYR 63 CO 0.00 -0.27 -0.06 -2.00 -1.11 0.00 0.00 175.55 172.11 1apq s GLU 64 N -3.69 0.48 0.31 -0.62 2.56 0.59 -4.72 118.70 113.61 1apq s GLU 64 Ca 0.07 -0.77 -0.27 0.00 0.00 0.00 0.00 54.97 54.00 1apq s GLU 64 Cb 0.05 -0.13 -0.09 0.00 2.00 0.00 0.00 34.13 35.96 1apq s GLU 64 CO -0.07 0.01 0.97 -0.51 -0.56 0.00 0.00 175.26 175.10 1apq s LEU 65 N -1.69 4.42 0.00 2.70 1.43 -1.26 -1.46 118.68 122.82 1apq s LEU 65 Ca -0.10 1.94 -0.03 0.00 -1.03 0.00 0.00 54.13 54.91 1apq s LEU 65 Cb -0.08 -3.89 0.15 0.00 0.03 0.00 0.00 46.19 42.40 1apq s LEU 65 CO -0.01 -0.07 0.97 0.00 0.23 0.00 0.00 176.35 177.48 1apq n GLN 66 N 0.80 -0.24 0.12 1.70 1.13 -0.01 -4.90 117.38 115.98 1apq n GLN 66 Ca 0.01 -2.42 0.19 0.00 -1.94 0.00 0.00 57.00 52.84 1apq n GLN 66 Cb 0.49 -0.72 0.77 0.00 0.11 0.00 0.00 30.24 30.88 1apq n GLN 66 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1apq h GLU 67 N 0.00 0.00 0.00 -1.09 5.08 -1.98 0.14 114.58 116.73 1apq h GLU 67 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1apq h GLU 67 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1apq h GLU 67 CO 0.32 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 177.93 1apq n ASP 68 N -3.83 0.58 -1.98 1.42 5.75 -1.26 -4.90 116.55 112.33 1apq n ASP 68 Ca 0.06 0.60 -0.20 0.00 -0.01 0.00 0.00 54.79 55.23 1apq n ASP 68 Cb 0.51 -0.74 -0.05 0.00 -1.03 0.00 0.00 41.12 39.82 1apq n ASP 68 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1apq n ARG 69 N -2.09 -1.53 0.00 0.11 3.00 0.50 -4.76 116.66 111.89 1apq n ARG 69 Ca 0.04 1.09 0.00 0.00 -0.01 0.00 0.00 57.85 58.97 1apq n ARG 69 Cb 0.31 -5.60 0.00 0.00 0.00 0.00 0.00 32.46 27.16 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 -3.29 0.00 -2.92 -1.55 8.25 -1.26 -4.76 115.22 109.69 1apq n HIS 70 Ca -0.22 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.83 1apq n HIS 70 Cb 0.68 0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.82 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 -3.89 7.28 -0.04 0.41 0.01 -1.24 -0.83 113.70 115.40 1apq s SER 71 Ca 0.00 1.53 0.03 0.00 1.31 0.00 0.00 55.95 58.81 1apq s SER 71 Cb 0.00 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 1apq s SER 71 CO 0.00 -0.02 -0.11 0.00 0.41 0.00 0.00 173.24 173.53 1apq s GLN 73 N -0.97 1.44 -1.19 0.00 -2.07 -0.53 -4.86 119.66 111.48 1apq s GLN 73 Ca 0.13 -1.27 -0.19 0.00 -1.82 0.00 0.00 55.36 52.21 1apq s GLN 73 Cb -0.11 0.43 -0.03 0.00 -1.09 0.00 0.00 33.01 32.21 1apq s GLN 73 CO 0.03 -0.58 1.93 0.00 -1.32 0.00 0.00 175.29 175.35 1apq n ALA 74 N -0.34 3.35 -0.47 2.60 0.00 -1.26 -0.30 120.51 124.09 1apq n ALA 74 Ca -0.02 -3.50 0.00 0.00 0.00 0.00 0.00 53.44 49.92 1apq n ALA 74 Cb 0.63 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.51 1apq n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89