#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 -5.62 -1.60 6.41 -0.08 -1.26 -4.55 116.55 109.86 1otr n ASP 7 Ca 0.00 0.74 -0.00 0.00 -1.51 0.00 0.00 54.79 54.02 1otr n ASP 7 Cb 0.00 -2.41 -0.00 0.00 2.34 0.00 0.00 41.12 41.05 1otr n ASP 7 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1otr n ASP 8 N -0.75 4.29 0.24 1.67 9.92 -1.26 -4.21 116.55 126.47 1otr n ASP 8 Ca 0.00 -2.13 0.11 0.00 -0.53 0.00 0.00 54.79 52.24 1otr n ASP 8 Cb 0.00 -0.91 0.60 0.00 -0.64 0.00 0.00 41.12 40.18 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 0.13 0.00 0.00 177.20 178.45 1otr h HIS 9 N 1.60 0.00 -0.94 1.24 2.07 -2.01 -2.79 115.15 114.32 1otr h HIS 9 Ca 0.00 0.00 0.21 0.00 -2.85 0.00 0.00 60.37 57.73 1otr h HIS 9 Cb 0.80 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.71 1otr h HIS 9 CO 0.29 0.18 0.62 1.05 -3.07 0.00 0.00 177.93 176.99 1otr h GLU 10 N 0.00 0.43 -0.55 5.12 4.11 -1.92 0.29 114.58 122.05 1otr h GLU 10 Ca -0.00 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.41 1otr h GLU 10 Cb 0.52 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1otr h GLU 10 CO 0.02 0.28 0.36 1.03 0.07 0.00 0.00 179.01 180.77 1otr h SER 11 N 0.44 0.61 -0.57 3.06 0.87 -1.86 0.21 113.55 116.32 1otr h SER 11 Ca 0.50 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 61.03 1otr h SER 11 Cb 1.21 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 1otr h SER 11 CO -0.21 0.44 0.29 0.11 -0.53 0.00 0.00 176.83 176.93 1otr h LYS 12 N 0.73 0.80 -0.82 2.24 1.79 -0.66 -1.38 116.57 119.26 1otr h LYS 12 Ca 0.21 -0.11 0.06 0.00 -2.18 0.00 0.00 60.65 58.63 1otr h LYS 12 Cb -0.06 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.38 1otr h LYS 12 CO -0.05 0.64 0.54 1.25 -1.08 0.00 0.00 179.45 180.74 1otr h LEU 13 N 0.76 0.82 -0.55 2.94 5.85 -0.27 -0.35 115.31 124.50 1otr h LEU 13 Ca 0.20 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1otr h LEU 13 Cb 0.08 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1otr h LEU 13 CO -0.03 0.54 0.30 -1.28 -0.34 0.00 0.00 178.44 177.63 1otr h SER 14 N 0.94 0.69 -0.64 1.25 0.87 0.42 -1.50 113.55 115.58 1otr h SER 14 Ca 0.35 -0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.88 1otr h SER 14 Cb 0.18 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 1otr h SER 14 CO -0.12 0.59 0.34 0.40 -0.53 0.00 0.00 176.83 177.51 1otr h ILE 15 N 0.74 0.93 -0.48 2.23 1.08 -0.19 -1.90 117.51 119.93 1otr h ILE 15 Ca 0.19 -0.21 0.02 0.00 -0.39 0.00 0.00 64.86 64.47 1otr h ILE 15 Cb 0.05 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 34.04 1otr h ILE 15 CO -0.03 0.11 0.30 -0.07 -0.69 0.00 0.00 178.15 177.77 1otr h LEU 16 N 0.62 0.49 0.04 1.44 3.38 -0.70 0.75 115.31 121.33 1otr h LEU 16 Ca 0.29 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.28 1otr h LEU 16 Cb 0.22 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1otr h LEU 16 CO -0.20 0.35 -0.18 0.24 0.09 0.00 0.00 178.44 178.74 1otr h MET 17 N 0.60 -0.30 -0.00 1.13 2.86 -0.54 -1.38 114.93 117.29 1otr h MET 17 Ca 0.19 0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.71 1otr h MET 17 Cb -0.01 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1otr h MET 17 CO -0.07 -0.20 -0.67 0.22 1.06 0.00 0.00 176.91 177.25 1otr h ASP 18 N -0.31 0.02 -0.76 1.22 3.58 -1.24 -3.14 116.42 115.79 1otr h ASP 18 Ca 0.04 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.49 1otr h ASP 18 Cb 0.36 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 1otr h ASP 18 CO -0.14 0.68 0.50 -0.03 -2.88 0.00 0.00 179.24 177.37 1otr h MET 19 N 0.01 0.99 -3.99 0.28 4.05 0.10 -3.38 114.93 112.99 1otr h MET 19 Ca -0.01 -0.06 -0.59 0.00 -0.28 0.00 0.00 59.70 58.77 1otr h MET 19 Cb 1.18 -0.22 -0.39 0.00 -0.80 0.00 0.00 31.60 31.36 1otr h MET 19 CO 0.09 0.65 -0.77 -0.06 0.23 0.00 0.00 176.91 177.05 1otr s PHE 20 N -5.85 2.03 -0.42 1.39 0.40 -0.57 -5.03 117.98 109.94 1otr s PHE 20 Ca -0.11 -1.66 -0.05 0.00 -0.60 0.00 0.00 56.93 54.51 1otr s PHE 20 Cb 0.18 -1.61 -0.10 0.00 0.51 0.00 0.00 43.02 42.00 1otr s PHE 20 CO 0.78 -0.78 3.15 -0.35 0.70 0.00 0.00 175.22 178.72 1otr n PRO 21 N 4.77 2.50 0.00 0.24 -0.04 -1.26 -3.89 135.00 137.31 1otr n PRO 21 Ca -0.07 -1.81 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 1otr n PRO 21 Cb 0.44 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 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 1.90 0.00 -1.97 0.55 0.00 -1.26 -5.12 120.51 114.61 1otr n ALA 22 Ca 0.50 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 1otr n ALA 22 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.29 2.84 0.34 0.00 1.01 -1.25 -4.94 121.20 117.91 1otr s ILE 23 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 60.65 61.02 1otr s ILE 23 Cb 0.00 -3.42 -0.12 0.00 0.01 0.00 0.00 42.46 38.94 1otr s ILE 23 CO 0.00 0.08 1.42 -0.24 0.00 0.00 0.00 174.94 176.20 1otr n SER 24 N 3.18 3.31 0.01 3.58 2.88 -1.26 -4.86 113.62 120.46 1otr n SER 24 Ca 0.10 1.20 0.18 0.00 -1.33 0.00 0.00 58.87 59.02 1otr n SER 24 Cb 0.40 -1.55 0.66 0.00 -0.75 0.00 0.00 64.21 62.98 1otr n SER 24 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1otr h LYS 25 N 3.17 0.06 -0.43 -1.46 3.64 -1.97 -1.88 116.57 117.70 1otr h LYS 25 Ca -0.48 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.97 1otr h LYS 25 Cb 1.26 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 1otr h LYS 25 CO 0.67 0.04 0.07 1.03 -2.27 0.00 0.00 179.45 178.98 1otr h SER 26 N 0.06 -0.04 0.08 4.20 0.87 -2.00 -1.47 113.55 115.26 1otr h SER 26 Ca 0.23 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1otr h SER 26 Cb 0.85 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1otr h SER 26 CO -0.02 0.01 -0.04 0.11 -0.53 0.00 0.00 176.83 176.37 1otr h LYS 27 N 0.19 -0.10 -0.90 2.24 6.56 -1.71 -1.52 116.57 121.33 1otr h LYS 27 Ca 0.21 0.01 0.20 0.00 -1.06 0.00 0.00 60.65 60.01 1otr h LYS 27 Cb 0.28 0.02 -0.11 0.00 -0.57 0.00 0.00 32.23 31.85 1otr h LYS 27 CO -0.30 0.14 0.45 -0.07 -2.06 0.00 0.00 179.45 177.61 1otr h LEU 28 N -0.34 0.46 -0.25 2.94 3.38 -1.42 0.38 115.31 120.47 1otr h LEU 28 Ca -0.01 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1otr h LEU 28 Cb 0.29 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1otr h LEU 28 CO 0.02 0.10 -0.21 -0.61 0.09 0.00 0.00 178.44 177.83 1otr h GLN 29 N 0.51 0.58 0.32 1.13 4.15 -1.15 -1.70 115.11 118.95 1otr h GLN 29 Ca 0.54 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1otr h GLN 29 Cb 0.95 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1otr h GLN 29 CO -0.46 0.88 -0.15 0.28 -1.93 0.00 0.00 178.83 177.44 1otr h VAL 30 N 0.29 0.71 -0.67 2.39 2.07 0.03 -1.66 116.25 119.41 1otr h VAL 30 Ca 0.04 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1otr h VAL 30 Cb 0.75 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1otr h VAL 30 CO 0.05 0.06 0.41 0.45 0.02 0.00 0.00 177.57 178.56 1otr h HIS 31 N -0.57 0.77 -0.02 1.57 3.86 -0.40 -1.30 115.15 119.05 1otr h HIS 31 Ca -0.04 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1otr h HIS 31 Cb 0.42 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1otr h HIS 31 CO -0.02 0.43 -0.05 1.25 0.86 0.00 0.00 177.93 180.41 1otr h LEU 32 N 0.80 -0.15 -0.42 2.43 5.85 -1.23 -0.48 115.31 122.11 1otr h LEU 32 Ca 0.27 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1otr h LEU 32 Cb 0.03 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1otr h LEU 32 CO -0.11 -0.07 0.26 -0.07 -0.34 0.00 0.00 178.44 178.10 1otr h LEU 33 N -0.08 0.51 -0.10 2.25 3.38 -1.02 0.60 115.31 120.85 1otr h LEU 33 Ca 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1otr h LEU 33 Cb 0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1otr h LEU 33 CO -0.07 0.41 0.04 -0.33 0.09 0.00 0.00 178.44 178.58 1otr h GLU 34 N 0.56 0.15 -1.78 1.13 4.39 -1.07 -3.03 114.58 114.92 1otr h GLU 34 Ca 0.15 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1otr h GLU 34 Cb -0.01 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1otr h GLU 34 CO -0.03 0.26 0.00 0.09 -1.16 0.00 0.00 179.01 178.17 1otr n ASN 35 N -4.92 4.20 -3.98 1.42 3.02 -0.20 -4.75 115.26 110.04 1otr n ASN 35 Ca -0.06 -2.12 -0.27 0.00 -0.03 0.00 0.00 54.58 52.11 1otr n ASN 35 Cb 0.11 -0.86 -0.02 0.00 -0.61 0.00 0.00 39.78 38.40 1otr n ASN 35 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1otr n ASN 36 N 1.31 -0.75 -4.42 6.41 4.05 -1.14 -1.06 115.26 119.64 1otr n ASN 36 Ca 0.00 -1.00 -0.40 0.00 0.45 0.00 0.00 54.58 53.64 1otr n ASN 36 Cb 0.44 -3.06 -0.07 0.00 1.23 0.00 0.00 39.78 38.32 1otr n ASN 36 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1otr n ASN 37 N -2.95 -1.92 -4.70 1.20 6.94 0.21 -4.91 115.26 109.13 1otr n ASN 37 Ca -0.26 -1.18 -0.37 0.00 -0.02 0.00 0.00 54.58 52.75 1otr n ASN 37 Cb 0.66 -1.95 -0.07 0.00 -2.36 0.00 0.00 39.78 36.06 1otr n ASN 37 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1otr s ASP 38 N -3.40 6.45 -0.11 0.53 1.01 -0.23 -4.99 116.67 115.93 1otr s ASP 38 Ca 0.71 0.53 -0.28 0.00 0.71 0.00 0.00 52.55 54.22 1otr s ASP 38 Cb -0.41 -2.21 -0.25 0.00 1.01 0.00 0.00 42.92 41.07 1otr s ASP 38 CO 1.00 0.03 0.88 -0.07 0.21 0.00 0.00 175.17 177.21 1otr h LEU 39 N 7.04 0.03 -0.59 1.23 3.38 -1.90 -2.53 115.31 121.97 1otr h LEU 39 Ca -0.39 -0.89 0.02 0.00 0.09 0.00 0.00 57.88 56.70 1otr h LEU 39 Cb 1.17 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1otr h LEU 39 CO 0.74 0.92 0.37 -2.24 0.09 0.00 0.00 178.44 178.32 1otr h ASP 40 N -0.85 0.61 0.59 -0.43 2.03 -1.97 0.13 116.42 116.54 1otr h ASP 40 Ca -0.01 -0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.26 1otr h ASP 40 Cb 0.93 -0.14 0.01 0.00 -0.83 0.00 0.00 39.33 39.30 1otr h ASP 40 CO 0.01 0.44 -0.28 0.25 -1.03 0.00 0.00 179.24 178.62 1otr h LEU 41 N 0.74 -0.67 0.44 0.15 6.46 -1.94 0.57 115.31 121.05 1otr h LEU 41 Ca 0.23 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1otr h LEU 41 Cb -0.02 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1otr h LEU 41 CO -0.08 -0.27 -0.34 0.74 -0.62 0.00 0.00 178.44 177.87 1otr h THR 42 N -1.18 0.00 -0.93 1.05 2.02 -1.44 -2.13 112.91 110.30 1otr h THR 42 Ca -0.08 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.19 1otr h THR 42 Cb 0.63 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 1otr h THR 42 CO 0.13 0.00 0.60 0.40 0.37 0.00 0.00 175.52 177.02 1otr h ILE 43 N -0.75 0.98 -0.50 3.11 2.04 -0.88 -1.52 117.51 119.99 1otr h ILE 43 Ca -0.06 -0.33 0.09 0.00 1.00 0.00 0.00 64.86 65.56 1otr h ILE 43 Cb 0.62 -0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 1otr h ILE 43 CO 0.01 0.17 0.09 1.23 0.00 0.00 0.00 178.15 179.66 1otr h GLY 44 N 0.95 0.60 1.22 5.37 0.00 -0.60 -1.12 103.07 109.50 1otr h GLY 44 Ca 0.43 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.60 1otr h GLY 44 CO -0.19 -0.08 -0.36 -2.00 0.00 0.00 0.00 176.54 173.91 1otr h LEU 45 N 0.22 0.91 -0.58 3.11 7.12 -0.70 -3.19 115.31 122.20 1otr h LEU 45 Ca 0.25 -0.40 0.07 0.00 0.13 0.00 0.00 57.88 57.93 1otr h LEU 45 Cb 0.34 -0.26 -0.06 0.00 -0.53 0.00 0.00 40.66 40.16 1otr h LEU 45 CO -0.34 1.17 0.25 -0.07 -0.13 0.00 0.00 178.44 179.33 1otr h LEU 46 N 0.71 0.31 -1.47 2.25 -0.00 -0.34 -0.90 115.31 115.88 1otr h LEU 46 Ca 0.06 0.06 0.09 0.00 -0.00 0.00 0.00 57.88 58.09 1otr h LEU 46 Cb 0.93 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.56 1otr h LEU 46 CO 0.09 0.20 0.46 -0.07 -0.00 0.00 0.00 178.44 179.12 1otr h LEU 47 N 0.47 0.55 -1.15 1.67 3.38 -1.23 -0.63 115.31 118.37 1otr h LEU 47 Ca 0.28 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 1otr h LEU 47 Cb 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1otr h LEU 47 CO -0.24 0.34 -0.30 0.50 0.09 0.00 0.00 178.44 178.82 1otr h LYS 48 N 0.61 0.21 -0.67 1.13 1.63 -1.22 -3.22 116.57 115.04 1otr h LYS 48 Ca 0.32 -0.08 0.13 0.00 -0.85 0.00 0.00 60.65 60.17 1otr h LYS 48 Cb 0.43 -0.01 -0.13 0.00 -0.60 0.00 0.00 32.23 31.92 1otr h LYS 48 CO -0.11 0.50 -0.21 0.93 -3.45 0.00 0.00 179.45 177.11 1otr h GLU 49 N 0.18 -0.04 0.00 1.90 4.39 -0.75 -3.40 114.58 116.87 1otr h GLU 49 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1otr h GLU 49 Cb 0.63 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1otr h GLU 49 CO 0.05 -0.02 0.00 0.27 -1.16 0.00 0.00 179.01 178.14 1otr n ASN 50 N -5.46 0.00 0.00 1.42 0.23 -1.22 -4.56 115.26 105.68 1otr n ASN 50 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 1otr n ASN 50 Cb 0.36 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 1otr n ASN 50 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1otr n ASP 51 N 0.00 0.00 -4.74 0.53 8.00 -1.26 -4.94 116.55 114.14 1otr n ASP 51 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1otr n ASP 51 Cb 0.00 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 40.93 1otr n ASP 51 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1otr s ASP 52 N -0.57 7.40 0.00 -2.24 1.01 -1.26 -4.76 116.67 116.25 1otr s ASP 52 Ca 0.00 1.67 0.00 0.00 0.71 0.00 0.00 52.55 54.93 1otr s ASP 52 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1otr s ASP 52 CO 0.00 0.00 0.00 2.29 0.21 0.00 0.00 175.17 177.67 1otr n LYS 53 N 2.59 0.00 0.00 8.23 0.00 -1.26 -5.23 118.16 122.49 1otr n LYS 53 Ca -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 1otr n LYS 53 Cb 0.49 0.00 0.14 0.00 -0.00 0.00 0.00 35.03 35.66 1otr n LYS 53 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27