#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 0.10 0.00 6.41 1.82 -2.06 -3.45 116.42 119.23 1otr h ASP 7 Ca 0.00 -0.87 -0.11 0.00 -0.39 0.00 0.00 57.03 55.66 1otr h ASP 7 Cb 0.00 -0.03 -0.10 0.00 0.68 0.00 0.00 39.33 39.87 1otr h ASP 7 CO 0.00 1.22 0.07 -0.67 -1.61 0.00 0.00 179.24 178.25 1otr n ASP 8 N -4.44 -1.29 0.29 2.28 2.03 -1.26 -5.00 116.55 109.17 1otr n ASP 8 Ca -0.17 -1.90 0.16 0.00 0.52 0.00 0.00 54.79 53.40 1otr n ASP 8 Cb 0.61 1.11 0.91 0.00 -0.72 0.00 0.00 41.12 43.03 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 1.72 0.00 -0.97 -0.67 2.07 -1.98 -2.63 115.15 112.68 1otr h HIS 9 Ca -0.43 0.00 0.19 0.00 -2.85 0.00 0.00 60.37 57.28 1otr h HIS 9 Cb 1.23 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 31.10 1otr h HIS 9 CO -0.05 0.03 0.57 0.93 -3.07 0.00 0.00 177.93 176.34 1otr h GLU 10 N 0.00 0.69 -0.40 5.12 5.08 -1.98 0.29 114.58 123.38 1otr h GLU 10 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1otr h GLU 10 Cb 0.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1otr h GLU 10 CO 0.00 0.46 0.27 1.03 -1.00 0.00 0.00 179.01 179.77 1otr h SER 11 N 0.72 0.46 -0.84 1.42 0.87 -1.91 -0.38 113.55 113.90 1otr h SER 11 Ca 0.56 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 61.11 1otr h SER 11 Cb 0.88 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.69 1otr h SER 11 CO -0.39 0.33 0.50 0.11 -0.53 0.00 0.00 176.83 176.85 1otr h LYS 12 N 0.54 1.15 -0.83 2.24 1.57 -0.79 -1.35 116.57 119.10 1otr h LYS 12 Ca 0.15 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1otr h LYS 12 Cb -0.06 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 31.96 1otr h LYS 12 CO -0.03 0.81 0.53 1.25 -0.57 0.00 0.00 179.45 181.44 1otr h LEU 13 N 1.16 0.87 -0.66 2.94 5.85 0.45 -0.53 115.31 125.40 1otr h LEU 13 Ca 0.30 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.05 1otr h LEU 13 Cb -0.03 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 1otr h LEU 13 CO -0.06 0.59 0.41 -1.28 -0.34 0.00 0.00 178.44 177.77 1otr h SER 14 N 1.02 0.67 -0.94 1.25 0.87 -0.02 -0.74 113.55 115.66 1otr h SER 14 Ca 0.34 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.95 1otr h SER 14 Cb 0.04 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 61.80 1otr h SER 14 CO -0.13 0.46 0.62 0.40 -0.53 0.00 0.00 176.83 177.65 1otr h ILE 15 N 0.80 1.13 0.06 2.23 1.08 -0.46 -2.14 117.51 120.20 1otr h ILE 15 Ca 0.27 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1otr h ILE 15 Cb 0.02 -0.12 0.00 0.00 -3.07 0.00 0.00 36.82 33.65 1otr h ILE 15 CO -0.11 0.21 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.46 1otr h LEU 16 N 1.15 -0.07 -0.53 1.44 3.38 0.11 0.86 115.31 121.64 1otr h LEU 16 Ca 0.39 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.42 1otr h LEU 16 Cb 0.08 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1otr h LEU 16 CO -0.13 -0.05 0.25 0.24 0.09 0.00 0.00 178.44 178.84 1otr h MET 17 N -0.08 0.46 -0.13 1.13 2.86 -0.94 0.21 114.93 118.44 1otr h MET 17 Ca -0.01 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 1otr h MET 17 Cb 0.06 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1otr h MET 17 CO 0.01 0.31 -0.45 0.22 1.06 0.00 0.00 176.91 178.06 1otr h ASP 18 N 0.48 0.34 -0.40 1.22 3.58 -1.15 -2.89 116.42 117.59 1otr h ASP 18 Ca 0.25 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 1otr h ASP 18 Cb 0.20 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1otr h ASP 18 CO -0.20 0.75 0.06 -0.03 -2.88 0.00 0.00 179.24 176.94 1otr h MET 19 N 0.26 0.75 -4.01 0.28 4.05 0.22 -3.39 114.93 113.09 1otr h MET 19 Ca 0.02 -0.17 -0.58 0.00 -0.28 0.00 0.00 59.70 58.69 1otr h MET 19 Cb 0.89 -0.11 -0.39 0.00 -0.80 0.00 0.00 31.60 31.20 1otr h MET 19 CO 0.07 0.72 -0.77 -0.06 0.23 0.00 0.00 176.91 177.10 1otr s PHE 20 N -5.09 1.95 -0.79 1.39 0.08 0.61 -5.03 117.98 111.09 1otr s PHE 20 Ca -0.09 -1.55 -0.08 0.00 0.12 0.00 0.00 56.93 55.33 1otr s PHE 20 Cb 0.15 -1.50 -0.18 0.00 -0.57 0.00 0.00 43.02 40.92 1otr s PHE 20 CO 0.80 -0.75 3.30 -0.35 -0.10 0.00 0.00 175.22 178.12 1otr n PRO 21 N 4.79 2.84 0.00 0.24 -0.04 -1.24 -3.71 135.00 137.87 1otr n PRO 21 Ca -0.09 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.77 1otr n PRO 21 Cb 0.45 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 3.00 0.00 -1.80 0.55 0.00 -1.26 -5.13 120.51 115.88 1otr n ALA 22 Ca 0.60 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.63 1otr n ALA 22 Cb 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.44 2.24 0.48 0.00 1.01 -1.24 -4.96 121.20 117.28 1otr s ILE 23 Ca 0.00 0.19 -0.22 0.00 0.00 0.00 0.00 60.65 60.62 1otr s ILE 23 Cb 0.00 -3.12 -0.07 0.00 0.01 0.00 0.00 42.46 39.28 1otr s ILE 23 CO 0.00 0.03 1.16 -0.44 0.00 0.00 0.00 174.94 175.68 1otr s SER 24 N 0.66 6.06 0.29 3.58 0.01 -1.26 -4.89 113.70 118.16 1otr s SER 24 Ca 0.65 2.28 0.02 0.00 1.31 0.00 0.00 55.95 60.21 1otr s SER 24 Cb -0.46 -2.60 0.58 0.00 0.21 0.00 0.00 66.02 63.75 1otr s SER 24 CO 0.42 -0.99 1.84 0.50 0.41 0.00 0.00 173.24 175.42 1otr h LYS 25 N 1.85 0.94 -0.11 12.44 3.64 -1.98 -1.90 116.57 131.44 1otr h LYS 25 Ca -0.49 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1otr h LYS 25 Cb 1.25 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1otr h LYS 25 CO 0.59 0.62 0.02 0.66 -2.27 0.00 0.00 179.45 179.07 1otr h SER 26 N 0.97 -0.01 -0.27 4.20 4.64 -1.99 0.19 113.55 121.28 1otr h SER 26 Ca 0.50 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1otr h SER 26 Cb 0.51 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1otr h SER 26 CO -0.26 0.02 0.18 0.50 -0.87 0.00 0.00 176.83 176.39 1otr h LYS 27 N 0.06 0.35 -0.91 4.77 3.64 -1.77 -1.69 116.57 121.03 1otr h LYS 27 Ca 0.05 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1otr h LYS 27 Cb 0.05 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 1otr h LYS 27 CO -0.07 0.23 0.58 -0.07 -2.27 0.00 0.00 179.45 177.85 1otr h LEU 28 N 0.36 0.96 -0.61 5.20 3.38 -1.13 -1.83 115.31 121.65 1otr h LEU 28 Ca 0.10 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1otr h LEU 28 Cb -0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1otr h LEU 28 CO -0.03 0.65 0.39 -0.61 0.09 0.00 0.00 178.44 178.94 1otr h GLN 29 N 1.12 0.78 -0.24 1.13 5.75 -0.46 -1.10 115.11 122.09 1otr h GLN 29 Ca 0.37 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.82 1otr h GLN 29 Cb 0.03 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1otr h GLN 29 CO -0.13 0.51 0.16 0.28 -2.65 0.00 0.00 178.83 177.00 1otr h VAL 30 N 0.80 1.06 -0.59 2.39 2.07 -0.56 -1.04 116.25 120.39 1otr h VAL 30 Ca 0.23 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1otr h VAL 30 Cb -0.07 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1otr h VAL 30 CO -0.06 0.06 0.37 0.45 0.02 0.00 0.00 177.57 178.41 1otr h HIS 31 N 0.32 0.76 -0.49 1.57 3.86 -1.04 -1.67 115.15 118.46 1otr h HIS 31 Ca 0.09 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1otr h HIS 31 Cb -0.04 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.16 1otr h HIS 31 CO -0.06 0.50 0.25 1.25 0.86 0.00 0.00 177.93 180.73 1otr h LEU 32 N 0.79 0.62 -0.37 2.43 5.85 -0.96 -1.47 115.31 122.21 1otr h LEU 32 Ca 0.21 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1otr h LEU 32 Cb -0.05 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1otr h LEU 32 CO -0.04 0.55 0.22 -0.07 -0.34 0.00 0.00 178.44 178.77 1otr h LEU 33 N 0.64 0.44 -0.08 2.25 3.38 -0.92 -2.24 115.31 118.77 1otr h LEU 33 Ca 0.17 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1otr h LEU 33 Cb 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1otr h LEU 33 CO -0.02 0.35 0.05 -0.33 0.09 0.00 0.00 178.44 178.57 1otr h GLU 34 N 0.48 0.11 -0.98 1.13 4.39 -1.14 -2.16 114.58 116.42 1otr h GLU 34 Ca 0.13 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 1otr h GLU 34 Cb -0.01 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1otr h GLU 34 CO -0.03 0.14 0.09 0.09 -1.16 0.00 0.00 179.01 178.15 1otr n ASN 35 N -5.00 2.83 0.00 1.42 3.02 -0.57 -4.91 115.26 112.06 1otr n ASN 35 Ca -0.06 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 1otr n ASN 35 Cb 0.06 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 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 0.17 0.00 0.00 6.41 3.02 -0.81 -2.71 115.26 121.34 1otr n ASN 36 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1otr n ASN 36 Cb 0.65 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 1otr n ASN 36 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1otr n ASN 37 N 1.21 0.00 -4.50 6.41 3.02 -1.20 -4.42 115.26 115.78 1otr n ASN 37 Ca 0.00 0.00 -0.63 0.00 -0.03 0.00 0.00 54.58 53.92 1otr n ASN 37 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 1otr n ASN 37 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1otr n ASP 38 N -0.48 0.81 0.04 6.41 9.92 -1.10 -4.87 116.55 127.28 1otr n ASP 38 Ca 0.00 1.14 -0.22 0.00 -0.53 0.00 0.00 54.79 55.18 1otr n ASP 38 Cb 0.00 -0.86 -0.14 0.00 -0.64 0.00 0.00 41.12 39.48 1otr n ASP 38 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1otr h LEU 39 N 4.23 0.49 -0.85 0.64 3.38 -1.99 -3.12 115.31 118.10 1otr h LEU 39 Ca -0.44 -0.90 0.02 0.00 0.09 0.00 0.00 57.88 56.65 1otr h LEU 39 Cb 1.34 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 1otr h LEU 39 CO 0.85 1.67 0.56 -0.78 0.09 0.00 0.00 178.44 180.83 1otr h ASP 40 N -0.14 0.94 0.39 -0.43 1.82 -1.97 0.22 116.42 117.26 1otr h ASP 40 Ca -0.31 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.30 1otr h ASP 40 Cb 1.90 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.69 1otr h ASP 40 CO 0.12 0.67 -0.19 0.25 -1.61 0.00 0.00 179.24 178.48 1otr h LEU 41 N 1.11 -0.45 0.41 2.28 6.46 -1.96 0.24 115.31 123.40 1otr h LEU 41 Ca 0.32 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1otr h LEU 41 Cb -0.07 0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1otr h LEU 41 CO -0.09 -0.04 -0.28 0.74 -0.62 0.00 0.00 178.44 178.14 1otr h THR 42 N -0.94 0.00 -0.91 1.05 2.02 -1.47 -2.03 112.91 110.64 1otr h THR 42 Ca -0.05 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.23 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 0.09 0.00 0.59 0.40 0.37 0.00 0.00 175.52 176.96 1otr h ILE 43 N -0.66 0.95 -0.52 3.11 2.04 -0.70 -1.56 117.51 120.17 1otr h ILE 43 Ca -0.05 -0.30 0.10 0.00 1.00 0.00 0.00 64.86 65.60 1otr h ILE 43 Cb 0.54 -0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.52 1otr h ILE 43 CO 0.03 0.16 0.05 1.23 0.00 0.00 0.00 178.15 179.62 1otr h GLY 44 N 0.88 0.59 1.25 5.37 0.00 -0.23 0.24 103.07 111.17 1otr h GLY 44 Ca 0.43 0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.68 1otr h GLY 44 CO -0.19 -0.12 -0.14 -2.00 0.00 0.00 0.00 176.54 174.08 1otr h LEU 45 N 0.17 0.88 -0.60 3.11 5.85 -0.58 -2.98 115.31 121.16 1otr h LEU 45 Ca 0.27 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1otr h LEU 45 Cb 0.39 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1otr h LEU 45 CO -0.40 1.02 0.29 -0.07 -0.34 0.00 0.00 178.44 178.94 1otr h LEU 46 N 0.78 0.38 -0.24 2.25 -0.00 -0.27 -2.12 115.31 116.09 1otr h LEU 46 Ca 0.12 0.05 0.05 0.00 -0.00 0.00 0.00 57.88 58.10 1otr h LEU 46 Cb 0.67 -0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 41.26 1otr h LEU 46 CO 0.05 0.24 -0.10 -0.07 -0.00 0.00 0.00 178.44 178.55 1otr h LEU 47 N 0.53 -0.35 -3.34 1.67 3.38 -0.88 -1.45 115.31 114.86 1otr h LEU 47 Ca 0.28 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.26 1otr h LEU 47 Cb 0.25 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1otr h LEU 47 CO -0.22 -0.13 -0.07 1.17 0.09 0.00 0.00 178.44 179.27 1otr n LYS 48 N -5.27 1.36 -0.08 1.13 4.81 -0.80 -4.46 118.16 114.84 1otr n LYS 48 Ca -0.01 -0.43 -0.10 0.00 -0.87 0.00 0.00 58.31 56.91 1otr n LYS 48 Cb 0.19 -1.34 -0.03 0.00 0.02 0.00 0.00 35.03 33.87 1otr n LYS 48 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1otr h GLU 49 N 1.63 0.39 -1.92 1.64 4.81 -1.19 -2.69 114.58 117.26 1otr h GLU 49 Ca 0.08 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1otr h GLU 49 Cb 1.13 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1otr h GLU 49 CO 0.13 0.37 0.05 0.09 -0.73 0.00 0.00 179.01 178.92 1otr n ASN 50 N -4.81 5.41 -0.10 1.04 4.13 -1.26 -4.34 115.26 115.33 1otr n ASN 50 Ca -0.02 -2.47 -0.11 0.00 1.68 0.00 0.00 54.58 53.66 1otr n ASN 50 Cb 0.09 -1.11 -0.03 0.00 -1.54 0.00 0.00 39.78 37.19 1otr n ASN 50 CO 0.00 0.00 0.00 -0.78 0.28 0.00 0.00 177.26 176.76 1otr h ASP 51 N 1.03 0.49 -4.23 6.41 3.58 -1.84 -3.49 116.42 118.35 1otr h ASP 51 Ca 0.03 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1otr h ASP 51 Cb 0.99 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1otr h ASP 51 CO 0.08 0.65 -0.80 -0.67 -2.88 0.00 0.00 179.24 175.62 1otr n ASP 52 N -4.61 -8.26 -4.71 2.28 -0.08 -1.26 -4.84 116.55 95.07 1otr n ASP 52 Ca -0.03 1.13 -0.42 0.00 -1.51 0.00 0.00 54.79 53.96 1otr n ASP 52 Cb 0.23 -4.08 -0.03 0.00 2.34 0.00 0.00 41.12 39.59 1otr n ASP 52 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1otr s LYS 53 N -2.42 4.25 0.00 -0.67 2.47 -1.26 -5.23 119.74 116.88 1otr s LYS 53 Ca 0.00 2.23 0.00 0.00 -1.56 0.00 0.00 55.97 56.64 1otr s LYS 53 Cb 0.00 -3.31 0.00 0.00 -1.46 0.00 0.00 37.83 33.06 1otr s LYS 53 CO 0.00 -0.58 0.00 -1.13 0.16 0.00 0.00 175.35 173.80