#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otr n ASP 7 N 0.00 0.00 -3.19 6.41 2.03 -1.26 -4.78 116.55 115.76 1otr n ASP 7 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 1otr n ASP 7 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1otr n ASP 7 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1otr n ASP 8 N 0.00 -5.79 0.25 1.67 8.00 -1.26 -4.86 116.55 114.56 1otr n ASP 8 Ca 0.00 -0.36 0.13 0.00 0.71 0.00 0.00 54.79 55.27 1otr n ASP 8 Cb 0.00 -4.66 0.58 0.00 -0.02 0.00 0.00 41.12 37.01 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 1otr h HIS 9 N -1.54 0.00 -1.00 1.24 2.07 -1.96 -3.06 115.15 110.89 1otr h HIS 9 Ca -0.53 0.00 0.23 0.00 -2.85 0.00 0.00 60.37 57.22 1otr h HIS 9 Cb 1.36 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.24 1otr h HIS 9 CO 0.55 0.14 0.63 0.93 -3.07 0.00 0.00 177.93 177.11 1otr h GLU 10 N 0.00 0.51 -0.47 5.12 5.08 -1.99 0.47 114.58 123.31 1otr h GLU 10 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1otr h GLU 10 Cb 0.61 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1otr h GLU 10 CO 0.02 0.34 0.30 1.03 -1.00 0.00 0.00 179.01 179.69 1otr h SER 11 N 0.52 0.55 -0.93 1.42 0.87 -1.93 0.31 113.55 114.37 1otr h SER 11 Ca 0.57 -0.04 0.02 0.00 -1.23 0.00 0.00 61.79 61.11 1otr h SER 11 Cb 1.23 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 63.01 1otr h SER 11 CO -0.31 0.43 0.61 0.11 -0.53 0.00 0.00 176.83 177.13 1otr h LYS 12 N 0.63 1.18 -0.97 2.24 1.79 -0.34 -0.75 116.57 120.35 1otr h LYS 12 Ca 0.17 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1otr h LYS 12 Cb -0.04 -0.27 -0.05 0.00 -1.58 0.00 0.00 32.23 30.30 1otr h LYS 12 CO -0.03 0.78 0.61 1.25 -1.08 0.00 0.00 179.45 180.97 1otr h LEU 13 N 1.21 1.14 -0.34 2.94 5.85 0.34 -1.36 115.31 125.10 1otr h LEU 13 Ca 0.35 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1otr h LEU 13 Cb -0.07 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 1otr h LEU 13 CO -0.09 0.85 0.18 0.28 -0.34 0.00 0.00 178.44 179.32 1otr h SER 14 N 1.32 0.27 -0.98 1.25 0.02 0.49 -1.02 113.55 114.90 1otr h SER 14 Ca 0.35 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.37 1otr h SER 14 Cb -0.10 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.34 1otr h SER 14 CO -0.07 0.20 0.64 0.40 -1.14 0.00 0.00 176.83 176.86 1otr h ILE 15 N 0.36 1.11 -0.76 3.27 5.03 -0.77 -1.70 117.51 124.06 1otr h ILE 15 Ca 0.14 -0.41 -0.00 0.00 -0.12 0.00 0.00 64.86 64.47 1otr h ILE 15 Cb 0.04 -0.17 -0.04 0.00 -3.03 0.00 0.00 36.82 33.62 1otr h ILE 15 CO -0.09 0.22 0.47 -0.07 -0.68 0.00 0.00 178.15 178.00 1otr h LEU 16 N 1.18 0.91 0.34 1.44 3.38 -0.21 0.22 115.31 122.56 1otr h LEU 16 Ca 0.41 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 1otr h LEU 16 Cb 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1otr h LEU 16 CO -0.16 0.69 -0.16 0.24 0.09 0.00 0.00 178.44 179.14 1otr h MET 17 N 1.04 -0.44 -0.36 1.13 2.86 -0.35 -0.35 114.93 118.46 1otr h MET 17 Ca 0.28 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.90 1otr h MET 17 Cb -0.06 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1otr h MET 17 CO -0.05 -0.19 0.04 0.22 1.06 0.00 0.00 176.91 177.98 1otr h ASP 18 N -0.61 0.60 -0.44 1.22 1.82 -1.31 -3.14 116.42 114.55 1otr h ASP 18 Ca -0.05 -0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 1otr h ASP 18 Cb 0.45 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 1otr h ASP 18 CO 0.08 0.73 0.28 -0.03 -1.61 0.00 0.00 179.24 178.69 1otr h MET 19 N 0.45 0.59 -3.68 0.28 4.05 -0.58 -3.34 114.93 112.70 1otr h MET 19 Ca 0.11 -0.04 -0.74 0.00 -0.28 0.00 0.00 59.70 58.74 1otr h MET 19 Cb 0.40 -0.13 -0.31 0.00 -0.80 0.00 0.00 31.60 30.76 1otr h MET 19 CO 0.01 0.41 -0.14 -0.06 0.23 0.00 0.00 176.91 177.37 1otr s PHE 20 N -6.08 3.58 -0.20 1.39 0.08 -0.14 -4.96 117.98 111.65 1otr s PHE 20 Ca -0.13 -2.39 -0.06 0.00 0.12 0.00 0.00 56.93 54.47 1otr s PHE 20 Cb 0.11 -3.49 -0.22 0.00 -0.57 0.00 0.00 43.02 38.85 1otr s PHE 20 CO 0.73 -0.91 3.28 -0.35 -0.10 0.00 0.00 175.22 177.88 1otr n PRO 21 N 3.67 2.03 0.00 0.24 -0.04 -1.24 -3.38 135.00 136.28 1otr n PRO 21 Ca 0.11 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 1otr n PRO 21 Cb 0.42 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 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 2.70 0.00 -1.84 0.55 0.00 -1.26 -5.12 120.51 115.53 1otr n ALA 22 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 1otr n ALA 22 Cb 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.98 2.43 0.49 0.00 1.01 -1.22 -4.96 121.20 117.97 1otr s ILE 23 Ca 0.00 0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.77 1otr s ILE 23 Cb 0.00 -3.22 -0.06 0.00 0.01 0.00 0.00 42.46 39.19 1otr s ILE 23 CO 0.00 0.05 1.27 -0.55 0.00 0.00 0.00 174.94 175.70 1otr s SER 24 N 0.61 5.79 0.26 3.58 0.15 -1.26 -4.87 113.70 117.97 1otr s SER 24 Ca 0.64 2.55 -0.01 0.00 0.70 0.00 0.00 55.95 59.82 1otr s SER 24 Cb -0.45 -2.62 0.51 0.00 -1.71 0.00 0.00 66.02 61.75 1otr s SER 24 CO 0.42 -1.20 1.77 0.50 1.20 0.00 0.00 173.24 175.93 1otr h LYS 25 N 1.86 0.65 -0.19 5.44 3.64 -1.98 -1.56 116.57 124.43 1otr h LYS 25 Ca -0.50 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1otr h LYS 25 Cb 1.27 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1otr h LYS 25 CO 0.59 0.43 0.09 0.77 -2.27 0.00 0.00 179.45 179.06 1otr h SER 26 N 0.67 0.13 -0.73 4.20 0.02 -2.00 -1.93 113.55 113.91 1otr h SER 26 Ca 0.45 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.46 1otr h SER 26 Cb 0.60 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 1otr h SER 26 CO -0.34 0.10 0.45 0.50 -1.14 0.00 0.00 176.83 176.40 1otr h LYS 27 N 0.19 0.82 -0.35 3.45 3.64 -1.68 -0.15 116.57 122.50 1otr h LYS 27 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1otr h LYS 27 Cb 0.02 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1otr h LYS 27 CO -0.05 0.54 0.23 -0.07 -2.27 0.00 0.00 179.45 177.83 1otr h LEU 28 N 0.84 0.40 -0.76 5.20 3.38 -1.03 -1.12 115.31 122.22 1otr h LEU 28 Ca 0.31 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 1otr h LEU 28 Cb 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1otr h LEU 28 CO -0.14 0.29 0.27 -0.61 0.09 0.00 0.00 178.44 178.35 1otr h GLN 29 N 0.47 1.16 0.57 1.13 5.75 -0.88 -1.90 115.11 121.42 1otr h GLN 29 Ca 0.13 -0.23 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 1otr h GLN 29 Cb -0.05 -0.18 0.01 0.00 1.07 0.00 0.00 27.48 28.33 1otr h GLN 29 CO -0.03 0.96 -0.28 0.28 -2.65 0.00 0.00 178.83 177.12 1otr h VAL 30 N 1.12 0.36 -0.76 2.39 2.07 -0.65 -1.91 116.25 118.86 1otr h VAL 30 Ca 0.25 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1otr h VAL 30 Cb 0.26 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1otr h VAL 30 CO -0.01 0.03 0.46 1.12 0.02 0.00 0.00 177.57 179.19 1otr h HIS 31 N -0.95 1.00 -0.22 1.57 2.07 -1.24 -0.40 115.15 116.97 1otr h HIS 31 Ca -0.08 -0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.46 1otr h HIS 31 Cb 0.65 -0.33 -0.03 0.00 2.57 0.00 0.00 27.41 30.27 1otr h HIS 31 CO -0.00 0.67 0.06 1.25 -3.07 0.00 0.00 177.93 176.84 1otr h LEU 32 N 1.04 0.05 -0.13 6.12 5.85 -1.36 -1.91 115.31 124.98 1otr h LEU 32 Ca 0.27 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1otr h LEU 32 Cb -0.04 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1otr h LEU 32 CO -0.05 0.06 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.97 1otr h LEU 33 N 0.16 0.29 -0.62 2.25 3.38 -1.11 0.21 115.31 119.86 1otr h LEU 33 Ca 0.10 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.74 1otr h LEU 33 Cb 0.08 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1otr h LEU 33 CO -0.12 0.65 0.24 -0.33 0.09 0.00 0.00 178.44 178.97 1otr h GLU 34 N -0.07 0.42 0.00 1.13 5.08 -0.98 -3.27 114.58 116.88 1otr h GLU 34 Ca 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1otr h GLU 34 Cb 0.54 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1otr h GLU 34 CO 0.02 0.28 0.00 0.09 -1.00 0.00 0.00 179.01 178.40 1otr n ASN 35 N -4.98 0.00 0.00 1.42 5.03 -0.73 -4.94 115.26 111.06 1otr n ASN 35 Ca 0.09 0.58 0.00 0.00 0.87 0.00 0.00 54.58 56.12 1otr n ASN 35 Cb 0.27 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1otr n ASN 35 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1otr n ASN 36 N -1.08 0.00 -3.65 6.41 4.05 -1.12 -4.96 115.26 114.91 1otr n ASN 36 Ca 0.00 0.00 -0.27 0.00 0.45 0.00 0.00 54.58 54.76 1otr n ASN 36 Cb 0.00 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.05 1otr n ASN 36 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1otr n ASN 37 N 0.00 -5.24 -4.55 1.20 4.13 0.71 -4.97 115.26 106.54 1otr n ASN 37 Ca 0.00 -0.61 -0.34 0.00 1.68 0.00 0.00 54.58 55.32 1otr n ASN 37 Cb 0.00 -4.18 -0.12 0.00 -1.54 0.00 0.00 39.78 33.94 1otr n ASN 37 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1otr s ASP 38 N -3.14 4.57 -0.14 6.41 -1.08 -1.26 -5.04 116.67 116.99 1otr s ASP 38 Ca 0.57 -0.07 -0.12 0.00 -0.52 0.00 0.00 52.55 52.41 1otr s ASP 38 Cb -0.28 -1.24 -0.09 0.00 -1.46 0.00 0.00 42.92 39.86 1otr s ASP 38 CO 0.70 0.33 0.10 -0.07 0.52 0.00 0.00 175.17 176.75 1otr h LEU 39 N 5.51 0.00 -0.82 -1.34 3.38 -1.96 -3.18 115.31 116.90 1otr h LEU 39 Ca -0.45 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 57.37 1otr h LEU 39 Cb 1.18 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 1otr h LEU 39 CO 0.54 0.86 0.46 -2.24 0.09 0.00 0.00 178.44 178.14 1otr h ASP 40 N -1.00 0.64 0.50 -0.43 3.04 -1.97 0.23 116.42 117.43 1otr h ASP 40 Ca -0.07 0.05 -0.02 0.00 -3.24 0.00 0.00 57.03 53.75 1otr h ASP 40 Cb 0.59 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 1otr h ASP 40 CO -0.04 0.35 -0.24 0.25 -2.04 0.00 0.00 179.24 177.52 1otr h LEU 41 N 0.75 -0.57 0.33 0.15 7.12 -1.99 -0.44 115.31 120.67 1otr h LEU 41 Ca 0.40 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.43 1otr h LEU 41 Cb 0.40 0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.66 1otr h LEU 41 CO -0.26 -0.17 -0.27 0.74 -0.13 0.00 0.00 178.44 178.34 1otr h THR 42 N -1.13 0.43 -0.84 1.05 2.02 -1.52 -2.08 112.91 110.84 1otr h THR 42 Ca -0.07 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.16 1otr h THR 42 Cb 0.51 0.43 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 1otr h THR 42 CO 0.11 0.00 0.53 0.40 0.37 0.00 0.00 175.52 176.93 1otr h ILE 43 N -0.61 1.08 -0.56 3.11 2.04 -0.67 -1.01 117.51 120.88 1otr h ILE 43 Ca -0.02 -0.34 0.10 0.00 1.00 0.00 0.00 64.86 65.60 1otr h ILE 43 Cb 0.54 -0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.54 1otr h ILE 43 CO -0.02 0.18 0.13 1.23 0.00 0.00 0.00 178.15 179.67 1otr h GLY 44 N 0.99 0.72 1.21 5.37 0.00 -0.68 0.32 103.07 111.00 1otr h GLY 44 Ca 0.36 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.53 1otr h GLY 44 CO -0.15 -0.08 -0.17 -2.00 0.00 0.00 0.00 176.54 174.14 1otr h LEU 45 N 0.27 0.92 -1.16 3.11 6.46 -0.76 -3.05 115.31 121.11 1otr h LEU 45 Ca 0.29 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1otr h LEU 45 Cb 0.40 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 1otr h LEU 45 CO -0.36 1.08 0.52 -0.07 -0.62 0.00 0.00 178.44 179.00 1otr h LEU 46 N 0.80 0.95 -0.68 2.25 3.38 0.14 -2.83 115.31 119.32 1otr h LEU 46 Ca 0.12 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.20 1otr h LEU 46 Cb 0.72 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 1otr h LEU 46 CO 0.06 0.70 0.05 -0.07 0.09 0.00 0.00 178.44 179.27 1otr h LEU 47 N 1.11 -0.22 -0.46 1.67 3.38 -0.88 -0.47 115.31 119.45 1otr h LEU 47 Ca 0.30 0.16 -0.15 0.00 0.09 0.00 0.00 57.88 58.28 1otr h LEU 47 Cb -0.10 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1otr h LEU 47 CO -0.06 -0.11 -0.34 0.11 0.09 0.00 0.00 178.44 178.13 1otr h LYS 48 N 0.15 0.91 -0.25 1.13 1.57 -1.63 -3.23 116.57 115.21 1otr h LYS 48 Ca 0.37 -0.45 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1otr h LYS 48 Cb 0.62 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 1otr h LYS 48 CO -0.55 1.10 -0.11 1.49 -0.57 0.00 0.00 179.45 180.81 1otr h GLU 49 N 0.75 -0.07 -6.44 3.15 4.81 -0.95 -3.40 114.58 112.44 1otr h GLU 49 Ca 0.07 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.77 1otr h GLU 49 Cb 0.92 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.33 1otr h GLU 49 CO 0.08 -0.04 0.92 1.21 -0.73 0.00 0.00 179.01 180.45 1otr s ASN 50 N -5.16 6.69 -0.30 1.04 3.04 -0.74 -4.96 114.94 114.55 1otr s ASN 50 Ca -0.14 2.36 -0.16 0.00 0.04 0.00 0.00 52.86 54.96 1otr s ASN 50 Cb 0.12 -2.57 0.20 0.00 -1.54 0.00 0.00 41.25 37.46 1otr s ASN 50 CO 0.69 -0.82 1.22 -0.62 -3.04 0.00 0.00 177.10 174.53 1otr s ASP 51 N 2.09 -0.14 -0.11 -4.21 2.15 -1.26 -4.96 116.67 110.23 1otr s ASP 51 Ca 0.70 0.21 -0.01 0.00 0.43 0.00 0.00 52.55 53.88 1otr s ASP 51 Cb -0.37 1.07 0.03 0.00 -0.30 0.00 0.00 42.92 43.35 1otr s ASP 51 CO 0.30 -0.03 2.24 0.47 -0.17 0.00 0.00 175.17 177.98 1otr n ASP 52 N 3.39 5.71 0.00 -0.34 9.92 -1.26 -4.96 116.55 129.01 1otr n ASP 52 Ca -0.16 -2.64 0.00 0.00 -0.53 0.00 0.00 54.79 51.46 1otr n ASP 52 Cb 0.56 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.89 1otr n ASP 52 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1otr n LYS 53 N 1.27 0.00 0.00 -1.24 4.81 -1.26 -5.35 118.16 116.38 1otr n LYS 53 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1otr n LYS 53 Cb 0.58 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.63 1otr n LYS 53 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00