#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otk s GLU 15 N 0.00 3.83 0.03 1.61 2.12 -1.26 -5.03 118.70 120.01 2otk s GLU 15 Ca 0.00 2.13 0.08 0.00 0.36 0.00 0.00 54.97 57.54 2otk s GLU 15 Cb 0.00 -2.65 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 2otk s GLU 15 CO 0.00 -0.60 -0.22 0.42 -0.54 0.00 0.00 175.26 174.33 2otk s ILE 16 N -1.30 2.49 -0.12 -3.70 1.01 -1.26 -5.13 121.20 113.20 2otk s ILE 16 Ca 0.60 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 60.03 2otk s ILE 16 Cb -0.37 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.12 2otk s ILE 16 CO 0.47 0.39 -0.11 -0.69 0.00 0.00 0.00 174.94 175.00 2otk s VAL 17 N -0.83 1.29 -0.12 2.92 1.01 -1.26 -5.13 120.40 118.28 2otk s VAL 17 Ca 0.13 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 2otk s VAL 17 Cb -0.10 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2otk s VAL 17 CO 0.03 0.41 0.16 -0.31 0.00 0.00 0.00 175.10 175.39 2otk s TYR 18 N 1.45 3.59 -0.72 5.22 1.51 -1.26 -5.04 117.35 122.09 2otk s TYR 18 Ca 0.02 0.55 0.04 0.00 -1.01 0.00 0.00 57.07 56.67 2otk s TYR 18 Cb -0.13 -1.99 0.20 0.00 -0.11 0.00 0.00 41.96 39.93 2otk s TYR 18 CO -0.07 0.69 0.62 1.28 -1.11 0.00 0.00 175.55 176.95 2otk n LEU 19 N 2.13 3.44 -0.05 -1.29 7.99 -1.26 -4.89 117.00 123.07 2otk n LEU 19 Ca -0.19 -5.27 -0.02 0.00 -0.01 0.00 0.00 56.01 50.52 2otk n LEU 19 Cb 0.54 -0.79 -0.01 0.00 -0.11 0.00 0.00 43.42 43.06 2otk n LEU 19 CO 0.32 1.81 -0.16 1.55 -1.51 0.00 0.00 177.39 179.40 2otk h PRO 20 N 5.14 0.00 0.00 3.23 0.13 -1.97 -3.38 132.00 135.16 2otk h PRO 20 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 2otk h PRO 20 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 2otk h PRO 20 CO 0.78 0.00 -0.05 -0.91 -0.23 0.00 0.00 178.00 177.59 2otk h ASN 21 N -0.73 0.00 -3.40 1.44 2.35 -1.91 -3.44 115.58 109.88 2otk h ASN 21 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2otk h ASN 21 Cb 0.23 0.00 0.16 0.00 0.05 0.00 0.00 38.32 38.76 2otk h ASN 21 CO 0.00 0.05 0.08 -0.11 -1.65 0.00 0.00 177.43 175.80 2otk n LEU 22 N -4.13 3.14 -4.85 1.61 7.94 -1.26 -4.91 117.00 114.54 2otk n LEU 22 Ca -0.03 0.85 -0.32 0.00 -1.11 0.00 0.00 56.01 55.40 2otk n LEU 22 Cb 0.13 -1.36 -0.05 0.00 0.53 0.00 0.00 43.42 42.68 2otk n LEU 22 CO 0.31 -1.89 0.56 0.20 -1.11 0.00 0.00 177.39 175.46 2otk s ASN 23 N -1.12 6.69 0.31 1.96 0.01 -1.26 -4.93 114.94 116.60 2otk s ASN 23 Ca 0.72 1.43 0.02 0.00 -0.71 0.00 0.00 52.86 54.32 2otk s ASN 23 Cb -0.45 -2.44 0.50 0.00 0.41 0.00 0.00 41.25 39.27 2otk s ASN 23 CO 0.50 -0.42 1.83 1.55 -1.51 0.00 0.00 177.10 179.05 2otk h PRO 24 N 1.46 0.63 -0.87 -0.60 0.13 -1.96 0.36 132.00 131.15 2otk h PRO 24 Ca -0.48 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 64.50 2otk h PRO 24 Cb 1.18 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 2otk h PRO 24 CO 0.63 0.65 0.49 -0.44 -0.23 0.00 0.00 178.00 179.10 2otk h ASP 25 N 0.59 1.07 -0.52 1.44 3.32 -2.00 0.44 116.42 120.77 2otk h ASP 25 Ca 0.12 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 2otk h ASP 25 Cb 0.37 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2otk h ASP 25 CO 0.01 0.85 -0.09 -0.61 -1.72 0.00 0.00 179.24 177.68 2otk h GLN 26 N 1.21 1.00 -0.66 3.56 5.75 -1.69 -2.35 115.11 121.94 2otk h GLN 26 Ca 0.31 -0.36 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2otk h GLN 26 Cb 0.00 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 2otk h GLN 26 CO -0.05 1.04 0.39 -0.07 -2.65 0.00 0.00 178.83 177.48 2otk h LEU 27 N 0.90 0.80 -0.33 -2.39 3.38 0.22 0.23 115.31 118.12 2otk h LEU 27 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2otk h LEU 27 Cb 0.65 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2otk h LEU 27 CO 0.04 0.63 0.22 0.00 0.09 0.00 0.00 178.44 179.42 2otk h ALA 29 N 1.11 1.07 0.26 0.00 0.00 -1.10 -1.07 119.26 119.53 2otk h ALA 29 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2otk h ALA 29 Cb -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2otk h ALA 29 CO -0.03 0.62 -0.13 0.35 0.00 0.00 0.00 179.25 180.07 2otk h PHE 30 N 0.98 -0.33 -0.91 0.00 3.57 0.13 -0.74 116.94 119.65 2otk h PHE 30 Ca 0.21 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.72 2otk h PHE 30 Cb 0.32 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 2otk h PHE 30 CO 0.02 -0.14 0.60 0.82 -2.23 0.00 0.00 178.31 177.38 2otk h ILE 31 N -0.44 1.22 -0.73 1.41 2.04 -0.41 -0.37 117.51 120.24 2otk h ILE 31 Ca -0.04 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 2otk h ILE 31 Cb 0.33 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.27 2otk h ILE 31 CO 0.06 0.22 0.32 0.45 0.00 0.00 0.00 178.15 179.20 2otk h HIS 32 N 1.22 1.06 -0.44 1.37 3.86 -0.99 -1.27 115.15 119.96 2otk h HIS 32 Ca 0.34 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.41 2otk h HIS 32 Cb -0.12 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.01 2otk h HIS 32 CO -0.00 0.79 -0.04 0.77 0.86 0.00 0.00 177.93 180.31 2otk h SER 33 N 1.04 0.80 -0.58 2.45 0.02 0.05 0.19 113.55 117.52 2otk h SER 33 Ca 0.25 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2otk h SER 33 Cb 0.16 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 2otk h SER 33 CO -0.03 0.94 0.38 -0.07 -1.14 0.00 0.00 176.83 176.92 2otk h LEU 34 N 0.64 0.66 -0.18 5.07 3.38 -0.71 -0.40 115.31 123.77 2otk h LEU 34 Ca 0.12 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2otk h LEU 34 Cb 0.56 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2otk h LEU 34 CO 0.03 0.48 -0.12 -0.74 0.09 0.00 0.00 178.44 178.18 2otk h HIS 35 N 0.79 0.47 -0.73 1.13 2.76 -1.12 -2.98 115.15 115.47 2otk h HIS 35 Ca 0.21 -0.13 0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2otk h HIS 35 Cb -0.09 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 28.73 2otk h HIS 35 CO -0.03 0.73 0.47 0.22 -1.30 0.00 0.00 177.93 178.02 2otk h ASP 36 N 0.07 0.81 -3.35 3.26 3.58 -0.42 -3.37 116.42 117.01 2otk h ASP 36 Ca 0.04 -0.02 -0.61 0.00 0.42 0.00 0.00 57.03 56.86 2otk h ASP 36 Cb 0.63 -0.20 -0.40 0.00 1.72 0.00 0.00 39.33 41.08 2otk h ASP 36 CO 0.03 0.58 -0.76 -0.62 -2.88 0.00 0.00 179.24 175.60 2otk s ASP 37 N -5.83 3.55 0.16 2.28 -1.08 -0.18 -5.00 116.67 110.57 2otk s ASP 37 Ca -0.13 -2.52 -0.14 0.00 -0.52 0.00 0.00 52.55 49.23 2otk s ASP 37 Cb 0.15 -0.93 0.04 0.00 -1.46 0.00 0.00 42.92 40.72 2otk s ASP 37 CO 0.77 -0.28 1.75 1.55 0.52 0.00 0.00 175.17 179.49 2otk h PRO 38 N 6.82 0.71 -0.20 4.34 0.13 -1.69 -1.30 132.00 140.80 2otk h PRO 38 Ca -0.00 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 2otk h PRO 38 Cb 0.94 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2otk h PRO 38 CO 0.44 0.58 -0.01 0.66 -0.23 0.00 0.00 178.00 179.45 2otk h SER 39 N 0.66 0.27 -0.07 1.44 4.64 -1.94 -1.23 113.55 117.32 2otk h SER 39 Ca 0.17 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2otk h SER 39 Cb 0.09 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2otk h SER 39 CO -0.02 0.33 0.00 1.67 -0.87 0.00 0.00 176.83 177.93 2otk n GLN 40 N -4.36 1.79 -0.36 4.77 7.27 -1.04 -4.24 117.38 121.21 2otk n GLN 40 Ca -0.00 -1.17 0.07 0.00 0.07 0.00 0.00 57.00 55.98 2otk n GLN 40 Cb 0.19 -1.46 0.24 0.00 2.41 0.00 0.00 30.24 31.62 2otk n GLN 40 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2otk h SER 41 N 2.70 0.92 -0.52 1.69 4.64 -0.03 0.25 113.55 123.19 2otk h SER 41 Ca 0.00 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2otk h SER 41 Cb 0.58 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 2otk h SER 41 CO 0.00 0.49 0.23 0.00 -0.87 0.00 0.00 176.83 176.69 2otk h ALA 42 N 1.54 0.67 -0.72 5.18 0.00 -1.76 0.80 119.26 124.97 2otk h ALA 42 Ca 0.49 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 2otk h ALA 42 Cb 0.48 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2otk h ALA 42 CO -0.26 0.25 0.22 -0.91 0.00 0.00 0.00 179.25 178.56 2otk h ASN 43 N 0.70 1.05 -0.15 0.00 4.21 -1.34 -1.75 115.58 118.29 2otk h ASN 43 Ca 0.18 -0.20 -0.05 0.00 1.21 0.00 0.00 56.30 57.44 2otk h ASN 43 Cb 0.15 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.06 2otk h ASN 43 CO -0.02 0.97 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.98 2otk h LEU 44 N 1.07 0.40 -0.82 1.61 3.38 -0.08 -1.91 115.31 118.95 2otk h LEU 44 Ca 0.23 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2otk h LEU 44 Cb 0.31 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2otk h LEU 44 CO -0.01 0.50 0.32 -0.07 0.09 0.00 0.00 178.44 179.27 2otk h LEU 45 N 0.41 1.10 -0.09 1.67 4.07 0.01 0.49 115.31 122.98 2otk h LEU 45 Ca 0.09 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 2otk h LEU 45 Cb 0.34 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 2otk h LEU 45 CO 0.01 0.97 0.04 0.00 -1.08 0.00 0.00 178.44 178.37 2otk h ALA 46 N 1.19 0.11 -0.38 1.53 0.00 -0.83 0.31 119.26 121.19 2otk h ALA 46 Ca 0.27 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 2otk h ALA 46 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2otk h ALA 46 CO -0.02 -0.31 -0.34 0.93 0.00 0.00 0.00 179.25 179.51 2otk h GLU 47 N -0.01 0.90 -0.15 0.00 5.08 -1.21 0.25 114.58 119.45 2otk h GLU 47 Ca 0.03 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2otk h GLU 47 Cb 0.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2otk h GLU 47 CO -0.00 1.12 0.06 0.00 -1.00 0.00 0.00 179.01 179.19 2otk h ALA 48 N 0.77 0.19 -0.41 3.43 0.00 0.07 0.95 119.26 124.26 2otk h ALA 48 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2otk h ALA 48 Cb 0.93 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2otk h ALA 48 CO 0.09 -0.23 0.05 -0.22 0.00 0.00 0.00 179.25 178.94 2otk h LYS 49 N 0.10 0.63 -0.26 0.00 3.64 -0.35 0.11 116.57 120.44 2otk h LYS 49 Ca 0.05 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 2otk h LYS 49 Cb 0.15 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2otk h LYS 49 CO -0.01 0.61 -0.39 -0.22 -2.27 0.00 0.00 179.45 177.18 2otk h LYS 50 N 0.61 0.60 -0.75 1.90 3.64 0.21 -2.41 116.57 120.36 2otk h LYS 50 Ca 0.13 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 2otk h LYS 50 Cb 0.31 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2otk h LYS 50 CO 0.00 0.89 0.25 1.25 -2.27 0.00 0.00 179.45 179.58 2otk h LEU 51 N 0.49 1.07 -1.16 5.20 5.85 0.21 0.37 115.31 127.34 2otk h LEU 51 Ca 0.05 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.62 2otk h LEU 51 Cb 0.89 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 2otk h LEU 51 CO 0.08 0.98 0.58 -1.13 -0.34 0.00 0.00 178.44 178.60 2otk h ASN 52 N 1.11 0.92 0.16 1.25 -1.24 -0.46 0.73 115.58 118.05 2otk h ASN 52 Ca 0.25 -0.00 -0.18 0.00 0.71 0.00 0.00 56.30 57.07 2otk h ASN 52 Cb 0.28 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.12 2otk h ASN 52 CO -0.01 0.62 -0.69 -0.78 -1.29 0.00 0.00 177.43 175.27 2otk h ASP 53 N 1.06 0.57 0.02 1.15 3.58 -0.76 -0.37 116.42 121.66 2otk h ASP 53 Ca 0.36 -0.35 -0.16 0.00 0.42 0.00 0.00 57.03 57.30 2otk h ASP 53 Cb 0.09 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2otk h ASP 53 CO -0.12 1.09 -0.53 0.00 -2.88 0.00 0.00 179.24 176.81 2otk h ALA 54 N 0.90 0.72 -0.01 -0.78 0.00 0.14 -3.04 119.26 117.19 2otk h ALA 54 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2otk h ALA 54 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2otk h ALA 54 CO 0.12 0.68 -0.25 1.04 0.00 0.00 0.00 179.25 180.84 2otk n GLN 55 N -3.97 1.18 0.00 0.00 6.02 0.24 -5.07 117.38 115.78 2otk n GLN 55 Ca -0.03 -0.80 0.03 0.00 -0.01 0.00 0.00 57.00 56.19 2otk n GLN 55 Cb 0.59 -1.48 0.20 0.00 1.02 0.00 0.00 30.24 30.57 2otk n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05