#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otr s ASP 7 N 0.00 6.73 -0.07 1.20 -4.77 -1.26 -4.89 116.67 113.62 1otr s ASP 7 Ca 0.00 2.47 -0.01 0.00 -3.30 0.00 0.00 52.55 51.71 1otr s ASP 7 Cb 0.00 -2.59 0.01 0.00 -1.09 0.00 0.00 42.92 39.24 1otr s ASP 7 CO 0.00 -0.71 2.22 -0.67 0.70 0.00 0.00 175.17 176.71 1otr n ASP 8 N 3.67 5.56 0.23 2.11 2.03 -1.26 -4.30 116.55 124.59 1otr n ASP 8 Ca 0.11 -2.55 0.11 0.00 0.52 0.00 0.00 54.79 52.98 1otr n ASP 8 Cb 0.41 -1.16 0.53 0.00 -0.72 0.00 0.00 41.12 40.18 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1otr h HIS 9 N 1.38 0.00 -1.00 -0.67 2.07 -1.97 -3.05 115.15 111.91 1otr h HIS 9 Ca 0.08 0.00 0.21 0.00 -2.85 0.00 0.00 60.37 57.81 1otr h HIS 9 Cb 1.04 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 30.92 1otr h HIS 9 CO 0.55 0.19 0.62 1.05 -3.07 0.00 0.00 177.93 177.27 1otr h GLU 10 N 0.00 0.61 -0.28 5.12 4.11 -1.99 0.28 114.58 122.44 1otr h GLU 10 Ca -0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.41 1otr h GLU 10 Cb 0.65 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1otr h GLU 10 CO 0.03 0.40 0.12 0.77 0.07 0.00 0.00 179.01 180.40 1otr h SER 11 N 0.63 0.16 -0.77 3.06 0.02 -1.91 0.14 113.55 114.89 1otr h SER 11 Ca 0.57 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.53 1otr h SER 11 Cb 1.08 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 1otr h SER 11 CO -0.35 0.13 0.45 0.11 -1.14 0.00 0.00 176.83 176.04 1otr h LYS 12 N 0.26 1.06 -0.93 3.45 1.57 -0.76 -0.93 116.57 120.29 1otr h LYS 12 Ca 0.12 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1otr h LYS 12 Cb 0.06 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.10 1otr h LYS 12 CO -0.10 0.75 0.61 1.25 -0.57 0.00 0.00 179.45 181.40 1otr h LEU 13 N 1.08 1.07 -0.40 2.94 5.85 0.57 -1.17 115.31 125.25 1otr h LEU 13 Ca 0.28 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1otr h LEU 13 Cb -0.02 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1otr h LEU 13 CO -0.05 0.78 0.25 0.28 -0.34 0.00 0.00 178.44 179.36 1otr h SER 14 N 1.26 0.41 -0.78 1.25 0.02 0.59 -0.72 113.55 115.59 1otr h SER 14 Ca 0.34 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.36 1otr h SER 14 Cb -0.14 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.25 1otr h SER 14 CO -0.07 0.29 0.45 0.40 -1.14 0.00 0.00 176.83 176.76 1otr h ILE 15 N 0.50 0.97 -0.87 3.27 1.08 -0.71 -1.28 117.51 120.47 1otr h ILE 15 Ca 0.15 -0.28 0.03 0.00 -0.39 0.00 0.00 64.86 64.38 1otr h ILE 15 Cb -0.02 0.10 -0.05 0.00 -3.07 0.00 0.00 36.82 33.77 1otr h ILE 15 CO -0.06 0.15 0.56 -0.07 -0.69 0.00 0.00 178.15 178.04 1otr h LEU 16 N 0.80 0.93 0.12 1.44 3.38 -0.11 0.56 115.31 122.44 1otr h LEU 16 Ca 0.35 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 1otr h LEU 16 Cb 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1otr h LEU 16 CO -0.20 0.64 -0.06 0.24 0.09 0.00 0.00 178.44 179.15 1otr h MET 17 N 1.09 -0.16 -0.33 1.13 2.86 -0.03 0.50 114.93 119.98 1otr h MET 17 Ca 0.35 0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.89 1otr h MET 17 Cb 0.01 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1otr h MET 17 CO -0.12 -0.02 -0.25 0.22 1.06 0.00 0.00 176.91 177.81 1otr h ASP 18 N -0.27 0.66 0.18 1.22 1.82 -1.16 0.56 116.42 119.42 1otr h ASP 18 Ca -0.02 -0.23 -0.11 0.00 -0.39 0.00 0.00 57.03 56.27 1otr h ASP 18 Cb 0.22 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1otr h ASP 18 CO 0.03 0.88 -0.42 0.24 -1.61 0.00 0.00 179.24 178.37 1otr h MET 19 N 0.57 0.30 -2.04 0.28 2.86 0.31 -3.35 114.93 113.86 1otr h MET 19 Ca 0.08 -0.15 -0.53 0.00 -2.06 0.00 0.00 59.70 57.04 1otr h MET 19 Cb 0.72 -0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.98 1otr h MET 19 CO 0.06 0.67 -1.07 1.19 1.06 0.00 0.00 176.91 178.82 1otr n PHE 20 N -4.02 0.55 -0.31 -0.22 3.72 0.17 -4.97 117.46 112.38 1otr n PHE 20 Ca -0.02 -3.75 0.11 0.00 -0.05 0.00 0.00 57.45 53.74 1otr n PHE 20 Cb 0.49 -0.41 0.28 0.00 -0.94 0.00 0.00 39.48 38.91 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 3.50 0.50 -0.51 -1.08 0.11 -1.03 -0.76 132.00 132.74 1otr h PRO 21 Ca 0.10 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1otr h PRO 21 Cb 0.87 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.84 1otr h PRO 21 CO 0.54 0.33 0.33 0.00 -0.21 0.00 0.00 178.00 179.00 1otr h ALA 22 N 1.65 0.65 -2.68 -0.75 0.00 -1.93 -3.42 119.26 112.77 1otr h ALA 22 Ca 0.53 -0.04 -0.52 0.00 0.00 0.00 0.00 54.91 54.88 1otr h ALA 22 Cb 0.91 -0.21 0.04 0.00 0.00 0.00 0.00 17.79 18.53 1otr h ALA 22 CO -0.45 0.10 0.67 0.42 0.00 0.00 0.00 179.25 179.99 1otr s ILE 23 N -6.13 3.13 0.37 0.00 1.01 -0.29 -4.98 121.20 114.31 1otr s ILE 23 Ca -0.13 0.93 -0.28 0.00 0.00 0.00 0.00 60.65 61.17 1otr s ILE 23 Cb 0.12 -3.59 -0.10 0.00 0.01 0.00 0.00 42.46 38.90 1otr s ILE 23 CO 0.74 0.14 1.34 -0.55 0.00 0.00 0.00 174.94 176.61 1otr s SER 24 N 0.38 6.52 0.33 3.58 0.15 -1.26 -4.91 113.70 118.49 1otr s SER 24 Ca 0.57 2.75 0.05 0.00 0.70 0.00 0.00 55.95 60.02 1otr s SER 24 Cb -0.37 -2.65 0.68 0.00 -1.71 0.00 0.00 66.02 61.97 1otr s SER 24 CO 0.38 -0.72 1.91 0.50 1.20 0.00 0.00 173.24 176.52 1otr h LYS 25 N 3.05 0.82 -0.35 5.44 3.64 -1.92 -2.16 116.57 125.09 1otr h LYS 25 Ca -0.50 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 58.89 1otr h LYS 25 Cb 1.24 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.82 1otr h LYS 25 CO 0.64 0.54 0.06 0.66 -2.27 0.00 0.00 179.45 179.08 1otr h SER 26 N 0.84 -0.01 -0.28 4.20 4.64 -1.99 0.35 113.55 121.30 1otr h SER 26 Ca 0.39 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1otr h SER 26 Cb 0.39 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1otr h SER 26 CO -0.16 0.03 0.17 0.50 -0.87 0.00 0.00 176.83 176.50 1otr h LYS 27 N 0.18 0.39 -1.00 4.77 3.64 -1.78 -1.66 116.57 121.10 1otr h LYS 27 Ca 0.17 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1otr h LYS 27 Cb 0.19 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 1otr h LYS 27 CO -0.23 0.31 0.65 -0.07 -2.27 0.00 0.00 179.45 177.85 1otr h LEU 28 N 0.35 1.06 -0.61 5.20 3.38 -1.11 -1.68 115.31 121.91 1otr h LEU 28 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1otr h LEU 28 Cb 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1otr h LEU 28 CO -0.02 0.70 0.26 -0.61 0.09 0.00 0.00 178.44 178.86 1otr h GLN 29 N 1.21 0.90 -0.12 1.13 4.15 -0.49 -1.68 115.11 120.22 1otr h GLN 29 Ca 0.42 -0.15 0.01 0.00 0.77 0.00 0.00 58.65 59.70 1otr h GLN 29 Cb 0.10 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1otr h GLN 29 CO -0.16 0.75 0.04 0.28 -1.93 0.00 0.00 178.83 177.82 1otr h VAL 30 N 0.85 0.97 -0.84 2.39 2.07 -0.44 -0.89 116.25 120.36 1otr h VAL 30 Ca 0.21 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1otr h VAL 30 Cb 0.17 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1otr h VAL 30 CO -0.02 0.02 0.54 0.45 0.02 0.00 0.00 177.57 178.57 1otr h HIS 31 N 0.10 1.08 -0.70 1.57 3.86 -1.22 -1.87 115.15 117.97 1otr h HIS 31 Ca 0.05 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1otr h HIS 31 Cb 0.03 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.11 1otr h HIS 31 CO -0.10 0.69 0.41 1.25 0.86 0.00 0.00 177.93 181.04 1otr h LEU 32 N 1.14 0.85 -0.46 2.43 5.85 -0.92 -2.22 115.31 121.98 1otr h LEU 32 Ca 0.30 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1otr h LEU 32 Cb -0.10 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 1otr h LEU 32 CO -0.06 0.68 0.21 -0.07 -0.34 0.00 0.00 178.44 178.85 1otr h LEU 33 N 0.95 0.62 0.35 2.25 3.38 -0.69 -2.98 115.31 119.19 1otr h LEU 33 Ca 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1otr h LEU 33 Cb -0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1otr h LEU 33 CO -0.04 0.59 -0.23 -0.33 0.09 0.00 0.00 178.44 178.52 1otr h GLU 34 N 0.61 -0.55 -1.63 1.13 5.08 -1.07 -2.32 114.58 115.82 1otr h GLU 34 Ca 0.16 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1otr h GLU 34 Cb 0.15 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1otr h GLU 34 CO -0.02 -0.37 0.04 0.09 -1.00 0.00 0.00 179.01 177.76 1otr n ASN 35 N -5.36 4.68 0.00 1.42 3.02 -0.86 -4.88 115.26 113.28 1otr n ASN 35 Ca -0.10 -2.35 0.00 0.00 -0.03 0.00 0.00 54.58 52.10 1otr n ASN 35 Cb 0.27 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 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 1.05 0.00 0.00 6.41 3.02 -0.87 -2.21 115.26 122.66 1otr n ASN 36 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1otr n ASN 36 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1otr n ASN 36 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1otr n ASN 37 N 1.21 0.00 -4.73 6.41 6.94 -1.14 -4.38 115.26 119.57 1otr n ASN 37 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 54.58 54.20 1otr n ASN 37 Cb 0.00 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 1otr n ASN 37 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1otr s ASP 38 N 0.00 6.38 -0.03 0.53 2.15 -0.94 -5.00 116.67 119.77 1otr s ASP 38 Ca 0.00 0.44 -0.20 0.00 0.43 0.00 0.00 52.55 53.21 1otr s ASP 38 Cb 0.00 -2.16 -0.32 0.00 -0.30 0.00 0.00 42.92 40.15 1otr s ASP 38 CO 0.00 0.12 0.94 -0.07 -0.17 0.00 0.00 175.17 175.99 1otr h LEU 39 N 6.67 0.56 -0.18 -1.34 3.38 -1.98 -2.82 115.31 119.60 1otr h LEU 39 Ca -0.41 -0.93 0.04 0.00 0.09 0.00 0.00 57.88 56.67 1otr h LEU 39 Cb 1.16 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1otr h LEU 39 CO 0.76 1.45 -0.09 -0.78 0.09 0.00 0.00 178.44 179.86 1otr h ASP 40 N -0.23 -0.31 0.43 -0.43 1.82 -1.97 0.21 116.42 115.94 1otr h ASP 40 Ca -0.16 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.53 1otr h ASP 40 Cb 1.73 0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.91 1otr h ASP 40 CO 0.18 -0.13 -0.21 -0.07 -1.61 0.00 0.00 179.24 177.41 1otr h LEU 41 N -0.08 -0.49 0.47 2.28 3.38 -1.98 -0.31 115.31 118.58 1otr h LEU 41 Ca 0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1otr h LEU 41 Cb 0.23 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1otr h LEU 41 CO -0.23 -0.07 -0.39 0.74 0.09 0.00 0.00 178.44 178.58 1otr h THR 42 N -1.02 0.00 -0.99 0.22 2.02 -1.49 -2.03 112.91 109.61 1otr h THR 42 Ca -0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1otr h THR 42 Cb 0.55 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.89 1otr h THR 42 CO 0.10 0.00 0.64 0.40 0.37 0.00 0.00 175.52 177.03 1otr h ILE 43 N -0.84 1.09 -0.64 3.11 2.04 -0.72 -1.61 117.51 119.93 1otr h ILE 43 Ca -0.06 -0.40 0.12 0.00 1.00 0.00 0.00 64.86 65.52 1otr h ILE 43 Cb 0.71 -0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.52 1otr h ILE 43 CO -0.01 0.21 0.19 1.23 0.00 0.00 0.00 178.15 179.77 1otr h GLY 44 N 1.17 0.88 1.22 5.37 0.00 -0.78 -0.70 103.07 110.23 1otr h GLY 44 Ca 0.43 -0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.53 1otr h GLY 44 CO -0.17 -0.10 -0.40 1.41 0.00 0.00 0.00 176.54 177.28 1otr h LEU 45 N 0.33 0.92 -1.10 3.11 3.38 -0.68 -3.12 115.31 118.13 1otr h LEU 45 Ca 0.34 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.98 1otr h LEU 45 Cb 0.50 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1otr h LEU 45 CO -0.39 1.20 0.61 -0.07 0.09 0.00 0.00 178.44 179.87 1otr h LEU 46 N 0.70 0.91 -0.31 1.67 -0.00 -0.26 -2.41 115.31 115.62 1otr h LEU 46 Ca 0.06 0.02 0.06 0.00 -0.00 0.00 0.00 57.88 58.01 1otr h LEU 46 Cb 0.98 -0.17 -0.05 0.00 -0.00 0.00 0.00 40.66 41.41 1otr h LEU 46 CO 0.09 0.55 -0.02 -0.07 -0.00 0.00 0.00 178.44 179.00 1otr h LEU 47 N 1.01 -0.16 -3.53 1.67 3.38 -1.12 -1.87 115.31 114.68 1otr h LEU 47 Ca 0.43 0.07 -0.19 0.00 0.09 0.00 0.00 57.88 58.29 1otr h LEU 47 Cb 0.32 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1otr h LEU 47 CO -0.19 -0.05 0.07 0.29 0.09 0.00 0.00 178.44 178.66 1otr n LYS 48 N -5.19 1.61 -0.04 1.13 5.02 -0.91 -4.43 118.16 115.35 1otr n LYS 48 Ca 0.00 -0.93 -0.14 0.00 -2.02 0.00 0.00 58.31 55.23 1otr n LYS 48 Cb 0.16 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 33.57 1otr n LYS 48 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1otr h GLU 49 N 1.81 0.27 0.10 1.97 4.57 -1.40 -3.32 114.58 118.59 1otr h GLU 49 Ca 0.17 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1otr h GLU 49 Cb 1.05 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1otr h GLU 49 CO 0.36 0.75 -0.05 -0.97 -1.18 0.00 0.00 179.01 177.92 1otr h ASN 50 N -0.18 -0.12 -2.93 1.04 -0.73 -1.85 -3.42 115.58 107.40 1otr h ASN 50 Ca 0.01 -0.06 -0.52 0.00 1.87 0.00 0.00 56.30 57.59 1otr h ASN 50 Cb 0.73 0.03 0.05 0.00 0.27 0.00 0.00 38.32 39.40 1otr h ASN 50 CO 0.04 -0.01 0.87 -0.62 -0.37 0.00 0.00 177.43 177.34 1otr s ASP 51 N -5.14 6.56 0.03 1.15 -1.08 -1.25 -4.59 116.67 112.35 1otr s ASP 51 Ca -0.14 2.67 0.00 0.00 -0.52 0.00 0.00 52.55 54.56 1otr s ASP 51 Cb 0.05 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1otr s ASP 51 CO 0.65 -0.83 0.00 -0.67 0.52 0.00 0.00 175.17 174.84 1otr n ASP 52 N 3.60 -0.25 -2.28 -0.34 -0.08 -1.26 -4.97 116.55 110.97 1otr n ASP 52 Ca 0.13 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 1otr n ASP 52 Cb 0.38 0.44 0.00 0.00 2.34 0.00 0.00 41.12 44.28 1otr n ASP 52 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1otr n LYS 53 N -2.45 3.05 0.00 -0.67 5.02 -1.26 -5.26 118.16 116.58 1otr n LYS 53 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1otr n LYS 53 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 35.03 35.30 1otr n LYS 53 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31