#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otr h ASP 7 N 0.00 0.21 0.00 0.53 3.32 -2.04 -3.40 116.42 115.04 1otr h ASP 7 Ca 0.00 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1otr h ASP 7 Cb 0.00 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.51 1otr h ASP 7 CO 0.00 0.14 -0.02 -0.90 -1.72 0.00 0.00 179.24 176.74 1otr n ASP 8 N -4.99 -0.95 0.26 6.45 5.75 -1.26 -4.98 116.55 116.82 1otr n ASP 8 Ca 0.06 -1.66 0.12 0.00 -0.01 0.00 0.00 54.79 53.30 1otr n ASP 8 Cb 0.22 0.64 0.70 0.00 -1.03 0.00 0.00 41.12 41.65 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1otr h HIS 9 N 0.88 0.00 -0.98 2.11 2.07 -1.97 -2.73 115.15 114.54 1otr h HIS 9 Ca -0.34 0.00 0.20 0.00 -2.85 0.00 0.00 60.37 57.38 1otr h HIS 9 Cb 1.19 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.07 1otr h HIS 9 CO -0.07 0.13 0.61 0.93 -3.07 0.00 0.00 177.93 176.46 1otr h GLU 10 N 0.00 0.63 -0.26 5.12 4.39 -1.93 0.21 114.58 122.73 1otr h GLU 10 Ca -0.00 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1otr h GLU 10 Cb 0.37 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1otr h GLU 10 CO 0.02 0.42 0.11 0.77 -1.16 0.00 0.00 179.01 179.17 1otr h SER 11 N 0.65 0.16 -0.86 1.42 0.02 -1.92 0.16 113.55 113.18 1otr h SER 11 Ca 0.55 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.50 1otr h SER 11 Cb 1.01 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 1otr h SER 11 CO -0.31 0.12 0.47 0.11 -1.14 0.00 0.00 176.83 176.08 1otr h LYS 12 N 0.25 1.22 -0.99 3.45 1.57 -0.89 -1.47 116.57 119.71 1otr h LYS 12 Ca 0.11 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1otr h LYS 12 Cb 0.05 -0.24 -0.06 0.00 0.08 0.00 0.00 32.23 32.07 1otr h LYS 12 CO -0.09 0.90 0.64 1.25 -0.57 0.00 0.00 179.45 181.58 1otr h LEU 13 N 1.22 1.07 -0.49 2.94 5.85 0.36 -1.04 115.31 125.22 1otr h LEU 13 Ca 0.30 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.02 1otr h LEU 13 Cb 0.04 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1otr h LEU 13 CO -0.05 0.72 0.32 0.28 -0.34 0.00 0.00 178.44 179.38 1otr h SER 14 N 1.23 0.55 -0.62 1.25 0.02 0.30 0.64 113.55 116.92 1otr h SER 14 Ca 0.40 -0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.44 1otr h SER 14 Cb 0.02 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.35 1otr h SER 14 CO -0.13 0.40 0.19 0.40 -1.14 0.00 0.00 176.83 176.55 1otr h ILE 15 N 0.65 0.70 -0.74 3.27 1.08 -0.57 0.13 117.51 122.03 1otr h ILE 15 Ca 0.18 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 1otr h ILE 15 Cb -0.07 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 33.97 1otr h ILE 15 CO -0.04 0.06 0.38 -0.07 -0.69 0.00 0.00 178.15 177.79 1otr h LEU 16 N 0.34 0.93 -0.22 1.44 3.38 -0.38 0.70 115.31 121.51 1otr h LEU 16 Ca 0.32 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1otr h LEU 16 Cb 0.44 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1otr h LEU 16 CO -0.36 0.77 -0.16 0.24 0.09 0.00 0.00 178.44 179.02 1otr h MET 17 N 1.04 -0.15 0.00 1.13 2.86 0.15 0.96 114.93 120.91 1otr h MET 17 Ca 0.26 0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.76 1otr h MET 17 Cb 0.07 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1otr h MET 17 CO -0.04 -0.10 -0.84 0.22 1.06 0.00 0.00 176.91 177.21 1otr h ASP 18 N -0.16 0.00 -0.44 1.22 3.58 -1.19 -3.13 116.42 116.30 1otr h ASP 18 Ca 0.13 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1otr h ASP 18 Cb 0.35 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 1otr h ASP 18 CO -0.32 0.66 0.15 -0.03 -2.88 0.00 0.00 179.24 176.82 1otr h MET 19 N 0.00 0.74 -2.09 0.28 4.05 0.11 -3.34 114.93 114.68 1otr h MET 19 Ca -0.05 -0.13 -0.57 0.00 -0.28 0.00 0.00 59.70 58.68 1otr h MET 19 Cb 1.54 -0.12 -0.39 0.00 -0.80 0.00 0.00 31.60 31.83 1otr h MET 19 CO 0.08 0.65 -1.04 1.19 0.23 0.00 0.00 176.91 178.02 1otr n PHE 20 N -4.31 -0.06 -0.30 1.39 3.72 0.27 -4.97 117.46 113.19 1otr n PHE 20 Ca 0.04 -3.58 0.15 0.00 -0.05 0.00 0.00 57.45 54.00 1otr n PHE 20 Cb 0.19 -0.27 0.40 0.00 -0.94 0.00 0.00 39.48 38.86 1otr n PHE 20 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1otr h PRO 21 N 4.30 0.61 -1.40 -1.08 0.11 -1.67 -1.31 132.00 131.57 1otr h PRO 21 Ca 0.11 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1otr h PRO 21 Cb 0.86 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1otr h PRO 21 CO 0.48 0.41 0.00 0.00 -0.21 0.00 0.00 178.00 178.68 1otr n ALA 22 N -2.42 2.73 -3.52 -0.75 0.00 -1.26 -4.70 120.51 110.60 1otr n ALA 22 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 1otr n ALA 22 Cb 0.58 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 1otr n ALA 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1otr s ILE 23 N 0.19 -0.02 0.37 0.00 1.01 -0.50 -5.14 121.20 117.11 1otr s ILE 23 Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.44 1otr s ILE 23 Cb 0.00 -0.46 -0.11 0.00 0.01 0.00 0.00 42.46 41.90 1otr s ILE 23 CO 0.00 0.03 1.48 -0.55 0.00 0.00 0.00 174.94 175.91 1otr s SER 24 N 0.88 6.37 0.30 3.58 0.15 -1.26 -4.90 113.70 118.83 1otr s SER 24 Ca -0.06 3.02 -0.01 0.00 0.70 0.00 0.00 55.95 59.60 1otr s SER 24 Cb -0.07 -2.66 0.47 0.00 -1.71 0.00 0.00 66.02 62.05 1otr s SER 24 CO -0.06 -0.86 1.96 0.07 1.20 0.00 0.00 173.24 175.55 1otr h LYS 25 N 3.19 1.05 -0.56 5.44 2.10 -1.95 -2.48 116.57 123.37 1otr h LYS 25 Ca -0.50 -0.06 0.08 0.00 -2.00 0.00 0.00 60.65 58.17 1otr h LYS 25 Cb 1.24 -0.24 -0.07 0.00 -0.90 0.00 0.00 32.23 32.26 1otr h LYS 25 CO 0.66 0.70 0.19 0.66 -2.00 0.00 0.00 179.45 179.65 1otr h SER 26 N 1.09 0.17 -0.31 7.07 4.64 -2.00 -0.28 113.55 123.94 1otr h SER 26 Ca 0.32 0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.72 1otr h SER 26 Cb -0.06 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1otr h SER 26 CO -0.08 0.11 0.19 0.50 -0.87 0.00 0.00 176.83 176.69 1otr h LYS 27 N 0.36 0.38 -0.88 4.77 3.64 -1.83 -1.63 116.57 121.39 1otr h LYS 27 Ca 0.28 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.69 1otr h LYS 27 Cb 0.34 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 1otr h LYS 27 CO -0.29 0.25 0.57 -0.07 -2.27 0.00 0.00 179.45 177.64 1otr h LEU 28 N 0.39 0.90 -0.57 5.20 3.38 -1.18 -1.48 115.31 121.97 1otr h LEU 28 Ca 0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1otr h LEU 28 Cb -0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1otr h LEU 28 CO -0.04 0.60 0.24 -0.61 0.09 0.00 0.00 178.44 178.72 1otr h GLN 29 N 1.03 0.83 0.13 1.13 4.15 -0.41 -0.49 115.11 121.48 1otr h GLN 29 Ca 0.36 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 1otr h GLN 29 Cb 0.13 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1otr h GLN 29 CO -0.12 0.71 -0.10 0.28 -1.93 0.00 0.00 178.83 177.67 1otr h VAL 30 N 0.77 0.79 -0.82 2.39 2.07 -0.38 -0.75 116.25 120.32 1otr h VAL 30 Ca 0.19 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.72 1otr h VAL 30 Cb 0.17 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1otr h VAL 30 CO -0.02 0.00 0.55 0.45 0.02 0.00 0.00 177.57 178.57 1otr h HIS 31 N -0.23 1.03 -0.33 1.57 3.86 -1.24 -2.05 115.15 117.77 1otr h HIS 31 Ca -0.01 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1otr h HIS 31 Cb 0.21 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 1otr h HIS 31 CO -0.10 0.65 0.18 1.25 0.86 0.00 0.00 177.93 180.77 1otr h LEU 32 N 1.11 0.29 -0.35 2.43 5.85 -0.76 -1.18 115.31 122.71 1otr h LEU 32 Ca 0.30 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1otr h LEU 32 Cb -0.12 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1otr h LEU 32 CO -0.07 0.21 0.21 -0.07 -0.34 0.00 0.00 178.44 178.38 1otr h LEU 33 N 0.37 0.42 -0.35 2.25 3.38 -0.78 0.52 115.31 121.11 1otr h LEU 33 Ca 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1otr h LEU 33 Cb 0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1otr h LEU 33 CO -0.07 0.35 0.17 -0.33 0.09 0.00 0.00 178.44 178.64 1otr h GLU 34 N 0.45 0.51 -1.57 1.13 5.08 -1.16 -2.90 114.58 116.12 1otr h GLU 34 Ca 0.12 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1otr h GLU 34 Cb 0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1otr h GLU 34 CO -0.02 0.47 0.00 0.09 -1.00 0.00 0.00 179.01 178.55 1otr n ASN 35 N -4.72 4.25 -4.05 1.42 3.02 -0.46 -4.77 115.26 109.94 1otr n ASN 35 Ca -0.01 -2.20 -0.34 0.00 -0.03 0.00 0.00 54.58 52.00 1otr n ASN 35 Cb 0.11 -0.84 -0.02 0.00 -0.61 0.00 0.00 39.78 38.42 1otr n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1otr n ASN 36 N 1.07 -3.48 -3.73 6.41 4.13 -1.09 -0.51 115.26 118.06 1otr n ASN 36 Ca 0.00 -0.88 -0.26 0.00 1.68 0.00 0.00 54.58 55.12 1otr n ASN 36 Cb 0.49 -2.85 0.05 0.00 -1.54 0.00 0.00 39.78 35.94 1otr n ASN 36 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1otr n ASN 37 N -2.59 -4.98 -4.61 6.41 5.03 0.18 -4.98 115.26 109.73 1otr n ASN 37 Ca 0.06 -0.67 -0.34 0.00 0.87 0.00 0.00 54.58 54.50 1otr n ASN 37 Cb 0.50 -4.48 -0.10 0.00 -1.02 0.00 0.00 39.78 34.68 1otr n ASN 37 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1otr s ASP 38 N -3.48 5.47 -0.04 6.41 1.01 0.33 -5.01 116.67 121.35 1otr s ASP 38 Ca 0.53 0.04 -0.22 0.00 0.71 0.00 0.00 52.55 53.61 1otr s ASP 38 Cb -0.25 -1.93 -0.29 0.00 1.01 0.00 0.00 42.92 41.46 1otr s ASP 38 CO 0.78 0.17 0.94 -0.07 0.21 0.00 0.00 175.17 177.20 1otr h LEU 39 N 6.70 0.45 -0.36 1.23 3.38 -1.94 -2.80 115.31 121.98 1otr h LEU 39 Ca -0.36 -0.91 0.06 0.00 0.09 0.00 0.00 57.88 56.76 1otr h LEU 39 Cb 1.17 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 1otr h LEU 39 CO 0.69 1.32 0.04 -0.78 0.09 0.00 0.00 178.44 179.80 1otr h ASP 40 N -0.35 -0.06 0.47 -0.43 3.58 -1.97 0.21 116.42 117.87 1otr h ASP 40 Ca -0.12 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 1otr h ASP 40 Cb 1.52 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.69 1otr h ASP 40 CO 0.14 0.01 -0.23 0.25 -2.88 0.00 0.00 179.24 176.53 1otr h LEU 41 N 0.15 -0.53 0.14 2.28 6.46 -1.94 0.75 115.31 122.61 1otr h LEU 41 Ca 0.17 -0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1otr h LEU 41 Cb 0.22 0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 1otr h LEU 41 CO -0.25 -0.11 -0.51 0.74 -0.62 0.00 0.00 178.44 177.69 1otr h THR 42 N -1.12 0.00 -0.64 1.05 2.02 -1.47 -1.38 112.91 111.36 1otr h THR 42 Ca -0.06 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1otr h THR 42 Cb 0.53 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1otr h THR 42 CO 0.11 0.00 0.42 0.40 0.37 0.00 0.00 175.52 176.82 1otr h ILE 43 N -0.74 1.13 -0.35 3.11 2.04 -0.72 -1.69 117.51 120.28 1otr h ILE 43 Ca -0.01 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.65 1otr h ILE 43 Cb 0.74 0.24 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 1otr h ILE 43 CO -0.26 0.15 -0.18 1.23 0.00 0.00 0.00 178.15 179.08 1otr h GLY 44 N 0.82 0.08 1.21 5.37 0.00 0.24 -0.86 103.07 109.92 1otr h GLY 44 Ca 0.25 0.23 -0.22 0.00 0.00 0.00 0.00 47.33 47.59 1otr h GLY 44 CO -0.06 -0.19 -0.76 1.41 0.00 0.00 0.00 176.54 176.94 1otr h LEU 45 N -0.13 0.92 -0.82 3.11 4.07 -1.11 -3.25 115.31 118.11 1otr h LEU 45 Ca 0.18 -0.60 0.15 0.00 0.08 0.00 0.00 57.88 57.69 1otr h LEU 45 Cb 0.40 -0.27 -0.10 0.00 1.08 0.00 0.00 40.66 41.77 1otr h LEU 45 CO -0.43 1.39 0.38 -0.07 -1.08 0.00 0.00 178.44 178.64 1otr h LEU 46 N 0.54 0.42 -0.13 1.67 -0.00 -0.72 -1.39 115.31 115.71 1otr h LEU 46 Ca -0.05 0.10 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1otr h LEU 46 Cb 1.39 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 42.09 1otr h LEU 46 CO 0.16 0.16 0.08 -0.07 -0.00 0.00 0.00 178.44 178.76 1otr h LEU 47 N 0.54 0.15 -3.01 1.67 3.38 -1.21 -2.49 115.31 114.34 1otr h LEU 47 Ca 0.45 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 58.16 1otr h LEU 47 Cb 0.68 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.28 1otr h LEU 47 CO -0.39 0.16 0.27 2.29 0.09 0.00 0.00 178.44 180.86 1otr n LYS 48 N -4.97 1.52 -0.02 1.13 2.85 -0.59 -4.37 118.16 113.71 1otr n LYS 48 Ca -0.05 -1.13 -0.13 0.00 -1.05 0.00 0.00 58.31 55.95 1otr n LYS 48 Cb 0.05 -1.44 -0.10 0.00 -0.65 0.00 0.00 35.03 32.89 1otr n LYS 48 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1otr h GLU 49 N 0.81 0.00 -2.00 -1.58 4.57 -0.90 -3.26 114.58 112.23 1otr h GLU 49 Ca 0.23 -0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.21 1otr h GLU 49 Cb 1.34 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.86 1otr h GLU 49 CO 0.48 0.55 -0.29 0.09 -1.18 0.00 0.00 179.01 178.66 1otr n ASN 50 N -4.83 5.34 -4.74 1.04 4.13 -1.26 -4.94 115.26 110.00 1otr n ASN 50 Ca -0.09 -2.52 -0.42 0.00 1.68 0.00 0.00 54.58 53.23 1otr n ASN 50 Cb 0.28 -1.37 -0.02 0.00 -1.54 0.00 0.00 39.78 37.12 1otr n ASN 50 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 1otr s ASP 51 N 1.88 6.42 0.27 6.41 -4.77 -1.23 -4.93 116.67 120.72 1otr s ASP 51 Ca 0.59 2.88 -0.30 0.00 -3.30 0.00 0.00 52.55 52.42 1otr s ASP 51 Cb 0.29 -2.63 -0.11 0.00 -1.09 0.00 0.00 42.92 39.39 1otr s ASP 51 CO -0.01 -0.89 1.51 -0.62 0.70 0.00 0.00 175.17 175.85 1otr s ASP 52 N 0.63 6.52 0.23 2.11 2.15 -1.26 -4.93 116.67 122.11 1otr s ASP 52 Ca 0.65 2.80 -0.31 0.00 0.43 0.00 0.00 52.55 56.13 1otr s ASP 52 Cb -0.47 -2.63 -0.10 0.00 -0.30 0.00 0.00 42.92 39.42 1otr s ASP 52 CO 0.44 -0.80 1.52 -0.54 -0.17 0.00 0.00 175.17 175.62 1otr s LYS 53 N -0.48 4.21 0.00 4.34 1.02 -1.26 -5.26 119.74 122.32 1otr s LYS 53 Ca 0.61 2.39 0.10 0.00 0.02 0.00 0.00 55.97 59.09 1otr s LYS 53 Cb -0.45 -3.10 0.61 0.00 -0.52 0.00 0.00 37.83 34.37 1otr s LYS 53 CO 0.46 -0.54 1.05 0.43 -0.92 0.00 0.00 175.35 175.83