#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 -0.44 -1.19 0.53 2.15 -1.26 -4.97 116.67 111.49 1otr s ASP 7 Ca 0.00 0.86 -0.07 0.00 0.43 0.00 0.00 52.55 53.77 1otr s ASP 7 Cb 0.00 0.87 0.01 0.00 -0.30 0.00 0.00 42.92 43.50 1otr s ASP 7 CO 0.00 -0.15 1.03 -0.67 -0.17 0.00 0.00 175.17 175.22 1otr n ASP 8 N 2.22 -5.46 0.20 -0.34 2.03 -1.26 -4.90 116.55 109.04 1otr n ASP 8 Ca -0.12 -0.49 0.08 0.00 0.52 0.00 0.00 54.79 54.78 1otr n ASP 8 Cb 0.56 -4.53 0.31 0.00 -0.72 0.00 0.00 41.12 36.74 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 -2.32 0.00 -0.96 -0.67 2.07 -1.97 -3.19 115.15 108.10 1otr h HIS 9 Ca -0.51 0.00 0.22 0.00 -2.85 0.00 0.00 60.37 57.24 1otr h HIS 9 Cb 1.32 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.23 1otr h HIS 9 CO 0.44 0.29 0.63 0.93 -3.07 0.00 0.00 177.93 177.14 1otr h GLU 10 N 0.00 0.40 -0.42 5.12 5.08 -1.98 0.24 114.58 123.02 1otr h GLU 10 Ca -0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1otr h GLU 10 Cb 0.96 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1otr h GLU 10 CO 0.04 0.27 0.26 1.03 -1.00 0.00 0.00 179.01 179.61 1otr h SER 11 N 0.42 0.45 -0.77 1.42 0.87 -1.96 0.39 113.55 114.36 1otr h SER 11 Ca 0.52 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 61.02 1otr h SER 11 Cb 1.28 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 1otr h SER 11 CO -0.22 0.32 0.29 0.11 -0.53 0.00 0.00 176.83 176.80 1otr h LYS 12 N 0.54 1.17 -0.76 2.24 6.56 -0.83 -1.21 116.57 124.27 1otr h LYS 12 Ca 0.16 -0.22 0.02 0.00 -1.06 0.00 0.00 60.65 59.55 1otr h LYS 12 Cb -0.04 -0.18 -0.04 0.00 -0.57 0.00 0.00 32.23 31.40 1otr h LYS 12 CO -0.05 0.96 0.50 1.25 -2.06 0.00 0.00 179.45 180.05 1otr h LEU 13 N 1.13 0.82 -0.48 2.94 5.85 0.02 -0.97 115.31 124.62 1otr h LEU 13 Ca 0.25 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1otr h LEU 13 Cb 0.24 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1otr h LEU 13 CO -0.02 0.58 0.30 0.28 -0.34 0.00 0.00 178.44 179.24 1otr h SER 14 N 0.96 0.56 -0.92 1.25 0.02 0.92 -1.49 113.55 114.86 1otr h SER 14 Ca 0.29 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1otr h SER 14 Cb -0.01 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 1otr h SER 14 CO -0.08 0.43 0.60 0.40 -1.14 0.00 0.00 176.83 177.05 1otr h ILE 15 N 0.64 1.19 -0.50 3.27 1.08 -0.53 -1.98 117.51 120.68 1otr h ILE 15 Ca 0.17 -0.41 0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1otr h ILE 15 Cb -0.04 -0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 33.58 1otr h ILE 15 CO -0.03 0.22 0.32 -0.07 -0.69 0.00 0.00 178.15 177.89 1otr h LEU 16 N 1.19 0.54 -0.06 1.44 3.38 -0.33 0.39 115.31 121.87 1otr h LEU 16 Ca 0.35 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1otr h LEU 16 Cb -0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1otr h LEU 16 CO -0.09 0.39 0.02 0.24 0.09 0.00 0.00 178.44 179.09 1otr h MET 17 N 0.65 0.09 -0.09 1.13 2.86 -0.73 -0.42 114.93 118.42 1otr h MET 17 Ca 0.19 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1otr h MET 17 Cb -0.04 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 1otr h MET 17 CO -0.06 0.26 -0.05 0.22 1.06 0.00 0.00 176.91 178.34 1otr h ASP 18 N -0.09 0.21 -0.55 1.22 3.58 -1.26 -3.23 116.42 116.30 1otr h ASP 18 Ca 0.02 -0.42 0.03 0.00 0.42 0.00 0.00 57.03 57.08 1otr h ASP 18 Cb 0.20 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.15 1otr h ASP 18 CO -0.00 0.58 0.32 -0.03 -2.88 0.00 0.00 179.24 177.23 1otr h MET 19 N -0.17 0.60 -3.75 0.28 4.05 -0.24 -3.33 114.93 112.37 1otr h MET 19 Ca 0.02 -0.04 -0.75 0.00 -0.28 0.00 0.00 59.70 58.65 1otr h MET 19 Cb 0.51 -0.14 -0.30 0.00 -0.80 0.00 0.00 31.60 30.88 1otr h MET 19 CO 0.01 0.40 -0.10 -0.06 0.23 0.00 0.00 176.91 177.39 1otr s PHE 20 N -6.13 3.61 0.00 1.39 0.08 -0.17 -4.95 117.98 111.81 1otr s PHE 20 Ca -0.13 -2.26 -0.03 0.00 0.12 0.00 0.00 56.93 54.64 1otr s PHE 20 Cb 0.14 -3.57 -0.11 0.00 -0.57 0.00 0.00 43.02 38.90 1otr s PHE 20 CO 0.74 -0.93 2.54 -0.35 -0.10 0.00 0.00 175.22 177.12 1otr n PRO 21 N 3.83 1.34 -2.16 0.24 -0.04 -1.25 -3.49 135.00 133.46 1otr n PRO 21 Ca 0.10 -0.42 -0.02 0.00 -0.04 0.00 0.00 63.50 63.13 1otr n PRO 21 Cb 0.43 -1.46 0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1otr n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1otr n ALA 22 N 2.00 0.07 -3.55 0.55 0.00 -1.26 -5.14 120.51 113.18 1otr n ALA 22 Ca 0.18 -0.52 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 1otr n ALA 22 Cb 0.64 -0.72 -0.12 0.00 0.00 0.00 0.00 19.45 19.25 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 0.07 -0.02 0.34 0.00 1.01 -1.23 -5.14 121.20 116.22 1otr s ILE 23 Ca 0.05 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.50 1otr s ILE 23 Cb 0.21 -0.48 -0.11 0.00 0.01 0.00 0.00 42.46 42.08 1otr s ILE 23 CO -0.06 0.03 1.45 -0.94 0.00 0.00 0.00 174.94 175.43 1otr s SER 24 N 0.97 6.48 0.24 3.58 1.04 -1.26 -4.91 113.70 119.85 1otr s SER 24 Ca -0.06 2.91 -0.05 0.00 0.48 0.00 0.00 55.95 59.23 1otr s SER 24 Cb -0.07 -2.65 0.35 0.00 0.10 0.00 0.00 66.02 63.75 1otr s SER 24 CO -0.07 -0.78 1.84 0.50 0.98 0.00 0.00 173.24 175.71 1otr h LYS 25 N 3.59 0.92 -0.45 4.02 3.64 -1.99 -2.11 116.57 124.18 1otr h LYS 25 Ca -0.49 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 58.89 1otr h LYS 25 Cb 1.23 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.79 1otr h LYS 25 CO 0.68 0.61 0.16 0.77 -2.27 0.00 0.00 179.45 179.40 1otr h SER 26 N 0.94 0.17 -0.46 4.20 0.02 -2.00 -1.12 113.55 115.30 1otr h SER 26 Ca 0.38 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.40 1otr h SER 26 Cb 0.22 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1otr h SER 26 CO -0.19 0.13 0.29 0.50 -1.14 0.00 0.00 176.83 176.42 1otr h LYS 27 N 0.33 0.58 -0.79 3.45 3.64 -1.78 -1.66 116.57 120.34 1otr h LYS 27 Ca 0.21 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1otr h LYS 27 Cb 0.21 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1otr h LYS 27 CO -0.22 0.38 0.50 -0.07 -2.27 0.00 0.00 179.45 177.78 1otr h LEU 28 N 0.60 0.80 -0.62 5.20 3.38 -0.90 -1.87 115.31 121.90 1otr h LEU 28 Ca 0.17 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1otr h LEU 28 Cb -0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1otr h LEU 28 CO -0.05 0.54 0.31 -0.61 0.09 0.00 0.00 178.44 178.71 1otr h GLN 29 N 0.95 0.88 0.11 1.13 4.15 -0.75 -1.12 115.11 120.46 1otr h GLN 29 Ca 0.33 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.63 1otr h GLN 29 Cb 0.07 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1otr h GLN 29 CO -0.14 0.70 -0.12 0.28 -1.93 0.00 0.00 178.83 177.62 1otr h VAL 30 N 0.84 0.72 -0.63 2.39 2.07 -0.60 -1.74 116.25 119.31 1otr h VAL 30 Ca 0.21 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 1otr h VAL 30 Cb 0.10 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1otr h VAL 30 CO -0.03 0.00 0.37 0.45 0.02 0.00 0.00 177.57 178.38 1otr h HIS 31 N -0.26 0.83 -0.43 1.57 3.86 -1.25 -1.20 115.15 118.27 1otr h HIS 31 Ca 0.01 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.28 1otr h HIS 31 Cb 0.26 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.40 1otr h HIS 31 CO -0.13 0.57 0.12 1.25 0.86 0.00 0.00 177.93 180.60 1otr h LEU 32 N 0.85 0.07 -0.07 2.43 5.85 -0.94 -1.78 115.31 121.72 1otr h LEU 32 Ca 0.22 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1otr h LEU 32 Cb -0.01 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1otr h LEU 32 CO -0.04 0.07 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.99 1otr h LEU 33 N 0.26 0.18 -0.62 2.25 3.38 -1.11 -0.62 115.31 119.04 1otr h LEU 33 Ca 0.21 -0.49 0.11 0.00 0.09 0.00 0.00 57.88 57.80 1otr h LEU 33 Cb 0.24 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1otr h LEU 33 CO -0.25 0.63 0.17 -0.33 0.09 0.00 0.00 178.44 178.75 1otr h GLU 34 N -0.27 0.30 0.00 1.13 4.39 -1.05 -3.27 114.58 115.82 1otr h GLU 34 Ca 0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1otr h GLU 34 Cb 0.58 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1otr h GLU 34 CO 0.02 0.20 0.00 0.09 -1.16 0.00 0.00 179.01 178.16 1otr n ASN 35 N -5.08 0.00 0.00 1.42 3.02 -0.69 -4.97 115.26 108.96 1otr n ASN 35 Ca 0.09 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1otr n ASN 35 Cb 0.32 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1otr n ASN 35 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1otr n ASN 36 N -0.76 0.00 -3.52 6.41 6.94 -1.13 -4.98 115.26 118.22 1otr n ASN 36 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 54.58 54.37 1otr n ASN 36 Cb 0.00 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 37.49 1otr n ASN 36 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1otr n ASN 37 N 0.00 -1.92 -3.90 0.53 4.05 -0.25 -5.01 115.26 108.76 1otr n ASN 37 Ca 0.00 -0.70 -0.21 0.00 0.45 0.00 0.00 54.58 54.12 1otr n ASN 37 Cb 0.00 -4.74 -0.16 0.00 1.23 0.00 0.00 39.78 36.11 1otr n ASN 37 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1otr s ASP 38 N -4.32 1.12 0.01 1.20 -1.08 -1.26 -5.04 116.67 107.30 1otr s ASP 38 Ca 0.02 -0.15 -0.18 0.00 -0.52 0.00 0.00 52.55 51.72 1otr s ASP 38 Cb -0.00 -0.50 -0.26 0.00 -1.46 0.00 0.00 42.92 40.70 1otr s ASP 38 CO 0.76 -0.06 1.08 -0.07 0.52 0.00 0.00 175.17 177.40 1otr h LEU 39 N 7.28 0.64 -0.48 -1.34 3.38 -1.95 -2.82 115.31 120.03 1otr h LEU 39 Ca -0.35 -0.80 0.08 0.00 0.09 0.00 0.00 57.88 56.89 1otr h LEU 39 Cb 1.15 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 1otr h LEU 39 CO 0.45 1.37 0.12 -0.78 0.09 0.00 0.00 178.44 179.69 1otr h ASP 40 N -0.01 0.05 0.61 -0.43 3.58 -1.97 0.45 116.42 118.70 1otr h ASP 40 Ca -0.12 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 1otr h ASP 40 Cb 1.54 0.10 0.01 0.00 1.72 0.00 0.00 39.33 42.70 1otr h ASP 40 CO 0.16 0.05 -0.30 0.25 -2.88 0.00 0.00 179.24 176.53 1otr h LEU 41 N 0.26 -0.70 0.36 2.28 7.12 -1.99 -0.38 115.31 122.27 1otr h LEU 41 Ca 0.24 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.25 1otr h LEU 41 Cb 0.30 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 1otr h LEU 41 CO -0.29 -0.31 -0.32 0.74 -0.13 0.00 0.00 178.44 178.13 1otr h THR 42 N -1.20 0.00 -0.86 1.05 2.02 -1.40 -1.69 112.91 110.83 1otr h THR 42 Ca -0.08 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.24 1otr h THR 42 Cb 0.65 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.96 1otr h THR 42 CO 0.14 0.00 0.45 0.40 0.37 0.00 0.00 175.52 176.88 1otr h ILE 43 N -0.67 0.74 -0.92 3.11 2.04 -0.25 0.16 117.51 121.72 1otr h ILE 43 Ca -0.05 -0.22 0.16 0.00 1.00 0.00 0.00 64.86 65.75 1otr h ILE 43 Cb 0.57 0.04 -0.10 0.00 -0.74 0.00 0.00 36.82 36.59 1otr h ILE 43 CO -0.02 0.12 0.52 1.23 0.00 0.00 0.00 178.15 180.00 1otr h GLY 44 N 0.64 1.55 0.93 5.37 0.00 -0.74 0.53 103.07 111.35 1otr h GLY 44 Ca 0.47 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 1otr h GLY 44 CO -0.36 -0.01 -0.08 -2.00 0.00 0.00 0.00 176.54 174.09 1otr h LEU 45 N 0.73 0.66 -0.60 3.11 5.85 0.20 -2.92 115.31 122.34 1otr h LEU 45 Ca 0.50 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1otr h LEU 45 Cb 0.70 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1otr h LEU 45 CO -0.35 0.87 0.28 -0.07 -0.34 0.00 0.00 178.44 178.83 1otr h LEU 46 N 0.44 0.36 -0.38 2.25 -0.00 0.21 -1.84 115.31 116.36 1otr h LEU 46 Ca 0.09 0.05 0.04 0.00 -0.00 0.00 0.00 57.88 58.05 1otr h LEU 46 Cb 0.58 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.19 1otr h LEU 46 CO 0.03 0.23 0.16 -0.07 -0.00 0.00 0.00 178.44 178.80 1otr h LEU 47 N 0.51 0.22 -3.63 1.67 3.38 -1.00 -1.78 115.31 114.68 1otr h LEU 47 Ca 0.28 0.03 -0.31 0.00 0.09 0.00 0.00 57.88 57.97 1otr h LEU 47 Cb 0.26 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.88 1otr h LEU 47 CO -0.23 0.16 0.32 2.29 0.09 0.00 0.00 178.44 181.08 1otr n LYS 48 N -4.97 1.82 0.06 1.13 2.85 -0.73 -4.54 118.16 113.79 1otr n LYS 48 Ca 0.01 -1.49 -0.13 0.00 -1.05 0.00 0.00 58.31 55.66 1otr n LYS 48 Cb 0.11 -1.65 -0.08 0.00 -0.65 0.00 0.00 35.03 32.76 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 1.76 -0.09 -0.26 -1.58 4.22 -0.92 -3.16 114.58 114.56 1otr h GLU 49 Ca 0.27 0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.65 1otr h GLU 49 Cb 0.92 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1otr h GLU 49 CO 0.66 0.06 -0.08 -0.91 -2.18 0.00 0.00 179.01 176.57 1otr h ASN 50 N -0.22 0.51 -5.85 1.04 4.21 -1.85 -3.47 115.58 109.94 1otr h ASN 50 Ca -0.01 -0.38 -0.38 0.00 1.21 0.00 0.00 56.30 56.75 1otr h ASN 50 Cb 0.19 -0.14 0.12 0.00 -1.12 0.00 0.00 38.32 37.37 1otr h ASN 50 CO 0.01 0.77 -0.77 -0.67 -1.29 0.00 0.00 177.43 175.48 1otr n ASP 51 N -4.52 -2.66 -3.65 5.81 -0.08 -1.20 -4.98 116.55 105.27 1otr n ASP 51 Ca -0.04 -0.68 -0.03 0.00 -1.51 0.00 0.00 54.79 52.54 1otr n ASP 51 Cb 0.31 -4.72 -0.07 0.00 2.34 0.00 0.00 41.12 38.98 1otr n ASP 51 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1otr s ASP 52 N -4.13 -0.17 0.23 1.67 2.15 -1.26 -5.14 116.67 110.02 1otr s ASP 52 Ca 0.14 0.31 -0.32 0.00 0.43 0.00 0.00 52.55 53.12 1otr s ASP 52 Cb -0.06 0.52 -0.13 0.00 -0.30 0.00 0.00 42.92 42.95 1otr s ASP 52 CO 0.76 -0.05 1.50 0.29 -0.17 0.00 0.00 175.17 177.50 1otr n LYS 53 N 2.17 2.25 0.00 4.34 4.01 -1.26 -5.15 118.16 124.51 1otr n LYS 53 Ca -0.13 0.80 0.02 0.00 -0.51 0.00 0.00 58.31 58.49 1otr n LYS 53 Cb 0.57 -2.52 0.11 0.00 -0.51 0.00 0.00 35.03 32.67 1otr n LYS 53 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16