#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 -3.15 1.20 8.00 -1.26 -5.11 116.55 116.23 1otr n ASP 7 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1otr n ASP 7 Cb 0.00 0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 1otr n ASP 7 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1otr s ASP 8 N -2.11 -0.45 0.34 -2.24 2.15 -1.26 -5.02 116.67 108.09 1otr s ASP 8 Ca 0.00 0.13 0.17 0.00 0.43 0.00 0.00 52.55 53.29 1otr s ASP 8 Cb 0.00 1.32 0.51 0.00 -0.30 0.00 0.00 42.92 44.45 1otr s ASP 8 CO 0.00 -0.08 1.65 1.12 -0.17 0.00 0.00 175.17 177.69 1otr h HIS 9 N 7.57 0.00 -0.98 -5.34 2.07 -1.97 -3.08 115.15 113.42 1otr h HIS 9 Ca -0.11 0.00 0.17 0.00 -2.85 0.00 0.00 60.37 57.58 1otr h HIS 9 Cb 1.18 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.06 1otr h HIS 9 CO -0.04 0.43 0.61 0.93 -3.07 0.00 0.00 177.93 176.80 1otr h GLU 10 N 0.00 0.75 0.03 5.12 5.08 -1.98 0.31 114.58 123.91 1otr h GLU 10 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1otr h GLU 10 Cb 1.04 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1otr h GLU 10 CO 0.06 0.50 -0.04 0.77 -1.00 0.00 0.00 179.01 179.30 1otr h SER 11 N 0.78 -0.10 -0.96 1.42 0.02 -1.97 0.32 113.55 113.06 1otr h SER 11 Ca 0.53 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.51 1otr h SER 11 Cb 0.80 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.32 1otr h SER 11 CO -0.30 -0.06 0.63 0.11 -1.14 0.00 0.00 176.83 176.07 1otr h LYS 12 N -0.08 1.21 -0.58 3.45 1.57 -1.11 -0.08 116.57 120.95 1otr h LYS 12 Ca 0.01 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1otr h LYS 12 Cb 0.08 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1otr h LYS 12 CO -0.02 0.80 0.26 1.25 -0.57 0.00 0.00 179.45 181.18 1otr h LEU 13 N 1.25 0.74 -0.36 2.94 5.85 0.37 -1.52 115.31 124.58 1otr h LEU 13 Ca 0.37 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 59.02 1otr h LEU 13 Cb -0.06 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1otr h LEU 13 CO -0.10 0.64 0.22 -1.28 -0.34 0.00 0.00 178.44 177.57 1otr h SER 14 N 0.81 0.35 -0.96 1.25 0.87 0.15 -0.68 113.55 115.35 1otr h SER 14 Ca 0.20 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.82 1otr h SER 14 Cb 0.11 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 61.93 1otr h SER 14 CO -0.02 0.26 0.62 0.40 -0.53 0.00 0.00 176.83 177.55 1otr h ILE 15 N 0.44 1.10 -0.34 2.23 5.03 -0.72 -1.93 117.51 123.32 1otr h ILE 15 Ca 0.14 -0.39 0.01 0.00 -0.12 0.00 0.00 64.86 64.50 1otr h ILE 15 Cb -0.01 -0.13 -0.02 0.00 -3.03 0.00 0.00 36.82 33.63 1otr h ILE 15 CO -0.06 0.21 0.22 -0.07 -0.68 0.00 0.00 178.15 177.77 1otr h LEU 16 N 1.13 0.38 0.12 1.44 3.38 -0.22 0.31 115.31 121.86 1otr h LEU 16 Ca 0.40 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 1otr h LEU 16 Cb 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1otr h LEU 16 CO -0.15 0.27 -0.06 0.24 0.09 0.00 0.00 178.44 178.84 1otr h MET 17 N 0.45 -0.16 -0.49 1.13 2.86 -0.46 -1.07 114.93 117.19 1otr h MET 17 Ca 0.13 0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1otr h MET 17 Cb -0.04 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1otr h MET 17 CO -0.04 -0.10 -0.13 0.22 1.06 0.00 0.00 176.91 177.93 1otr h ASP 18 N -0.17 0.97 -0.21 1.22 1.82 -1.30 -3.20 116.42 115.54 1otr h ASP 18 Ca -0.02 -0.36 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 1otr h ASP 18 Cb 0.13 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 1otr h ASP 18 CO 0.03 1.11 0.14 -0.03 -1.61 0.00 0.00 179.24 178.87 1otr h MET 19 N 0.81 0.28 -3.83 0.28 4.05 -0.27 -3.35 114.93 112.91 1otr h MET 19 Ca 0.12 -0.02 -0.75 0.00 -0.28 0.00 0.00 59.70 58.78 1otr h MET 19 Cb 0.69 -0.06 -0.29 0.00 -0.80 0.00 0.00 31.60 31.13 1otr h MET 19 CO 0.05 0.19 -0.14 -0.06 0.23 0.00 0.00 176.91 177.19 1otr s PHE 20 N -6.14 3.57 -1.42 1.39 0.08 -0.42 -4.97 117.98 110.07 1otr s PHE 20 Ca -0.13 -2.18 -0.09 0.00 0.12 0.00 0.00 56.93 54.66 1otr s PHE 20 Cb 0.08 -3.57 -0.09 0.00 -0.57 0.00 0.00 43.02 38.87 1otr s PHE 20 CO 0.69 -0.94 2.80 -0.35 -0.10 0.00 0.00 175.22 177.32 1otr n PRO 21 N 4.01 3.29 0.00 0.24 -0.04 -1.25 -3.54 135.00 137.71 1otr n PRO 21 Ca 0.07 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1otr n PRO 21 Cb 0.43 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 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 3.67 0.00 -2.07 0.55 0.00 -1.26 -5.13 120.51 116.27 1otr n ALA 22 Ca 0.70 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.73 1otr n ALA 22 Cb 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.81 3.73 0.56 0.00 1.09 -1.23 -5.00 121.20 118.54 1otr s ILE 23 Ca 0.00 1.47 -0.21 0.00 -1.10 0.00 0.00 60.65 60.81 1otr s ILE 23 Cb 0.00 -3.94 -0.04 0.00 -1.06 0.00 0.00 42.46 37.42 1otr s ILE 23 CO 0.00 0.24 1.31 -0.94 -0.10 0.00 0.00 174.94 175.45 1otr s SER 24 N 0.05 5.20 0.29 3.58 1.04 -1.26 -4.88 113.70 117.72 1otr s SER 24 Ca 0.51 2.66 0.01 0.00 0.48 0.00 0.00 55.95 59.61 1otr s SER 24 Cb -0.31 -2.63 0.53 0.00 0.10 0.00 0.00 66.02 63.71 1otr s SER 24 CO 0.36 -1.61 1.88 0.50 0.98 0.00 0.00 173.24 175.35 1otr h LYS 25 N 1.27 1.00 -0.37 4.02 3.64 -1.97 -2.35 116.57 121.81 1otr h LYS 25 Ca -0.51 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 58.86 1otr h LYS 25 Cb 1.30 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 1otr h LYS 25 CO 0.56 0.66 0.12 0.77 -2.27 0.00 0.00 179.45 179.30 1otr h SER 26 N 1.03 0.12 -0.12 4.20 0.02 -1.99 -0.72 113.55 116.09 1otr h SER 26 Ca 0.43 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1otr h SER 26 Cb 0.30 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1otr h SER 26 CO -0.18 0.11 0.07 0.50 -1.14 0.00 0.00 176.83 176.19 1otr h LYS 27 N 0.27 0.17 -0.98 3.45 3.64 -1.80 -1.62 116.57 119.70 1otr h LYS 27 Ca 0.17 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 1otr h LYS 27 Cb 0.16 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 1otr h LYS 27 CO -0.18 0.15 0.63 -0.07 -2.27 0.00 0.00 179.45 177.71 1otr h LEU 28 N 0.13 0.99 -0.61 5.20 3.38 -1.21 -1.39 115.31 121.79 1otr h LEU 28 Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1otr h LEU 28 Cb 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1otr h LEU 28 CO -0.01 0.62 0.30 -0.61 0.09 0.00 0.00 178.44 178.83 1otr h GLN 29 N 1.11 0.88 -0.21 1.13 4.15 -0.69 -1.71 115.11 119.77 1otr h GLN 29 Ca 0.43 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.72 1otr h GLN 29 Cb 0.22 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1otr h GLN 29 CO -0.18 0.70 0.13 0.28 -1.93 0.00 0.00 178.83 177.84 1otr h VAL 30 N 0.84 1.07 -0.59 2.39 2.07 -0.32 -1.30 116.25 120.42 1otr h VAL 30 Ca 0.21 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1otr h VAL 30 Cb 0.11 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1otr h VAL 30 CO -0.03 0.07 0.38 0.45 0.02 0.00 0.00 177.57 178.46 1otr h HIS 31 N 0.26 0.75 -0.84 1.57 3.86 -1.19 -1.41 115.15 118.15 1otr h HIS 31 Ca 0.07 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1otr h HIS 31 Cb 0.00 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.18 1otr h HIS 31 CO -0.05 0.48 0.51 1.25 0.86 0.00 0.00 177.93 180.98 1otr h LEU 32 N 0.79 1.00 -0.31 2.43 5.85 -1.08 -2.04 115.31 121.96 1otr h LEU 32 Ca 0.21 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1otr h LEU 32 Cb -0.07 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1otr h LEU 32 CO -0.04 0.77 0.07 -0.07 -0.34 0.00 0.00 178.44 178.83 1otr h LEU 33 N 1.15 0.47 0.13 2.25 3.38 -0.81 -2.77 115.31 119.12 1otr h LEU 33 Ca 0.30 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1otr h LEU 33 Cb -0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1otr h LEU 33 CO -0.06 0.59 -0.12 -0.33 0.09 0.00 0.00 178.44 178.61 1otr h GLU 34 N 0.34 -0.26 -1.19 1.13 5.08 -1.01 -1.94 114.58 116.71 1otr h GLU 34 Ca 0.10 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1otr h GLU 34 Cb 0.30 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 1otr h GLU 34 CO 0.00 -0.17 0.13 0.09 -1.00 0.00 0.00 179.01 178.06 1otr n ASN 35 N -5.24 3.77 0.00 1.42 3.02 -0.79 -4.90 115.26 112.55 1otr n ASN 35 Ca -0.08 -2.39 0.00 0.00 -0.03 0.00 0.00 54.58 52.09 1otr n ASN 35 Cb 0.16 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 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 0.40 0.00 -0.68 6.41 3.02 -0.73 -1.88 115.26 121.79 1otr n ASN 36 Ca 0.11 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.66 1otr n ASN 36 Cb 0.67 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.84 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 1.23 -0.11 -4.70 6.41 0.23 -1.11 -4.32 115.26 112.89 1otr n ASN 37 Ca 0.00 -0.32 -0.40 0.00 -0.53 0.00 0.00 54.58 53.33 1otr n ASN 37 Cb 0.00 0.04 -0.05 0.00 -2.08 0.00 0.00 39.78 37.69 1otr n ASN 37 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1otr s ASP 38 N -0.11 6.92 -0.13 0.53 2.15 -0.79 -4.98 116.67 120.27 1otr s ASP 38 Ca 0.00 1.11 -0.21 0.00 0.43 0.00 0.00 52.55 53.89 1otr s ASP 38 Cb 0.01 -2.40 -0.18 0.00 -0.30 0.00 0.00 42.92 40.04 1otr s ASP 38 CO -0.00 -0.19 0.56 -0.07 -0.17 0.00 0.00 175.17 175.31 1otr h LEU 39 N 7.26 -0.00 -0.94 -1.34 3.38 -1.98 -2.65 115.31 119.04 1otr h LEU 39 Ca -0.37 -0.70 0.10 0.00 0.09 0.00 0.00 57.88 57.00 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 0.77 0.84 0.58 -2.24 0.09 0.00 0.00 178.44 178.48 1otr h ASP 40 N -0.99 0.85 0.25 -0.43 3.04 -1.96 0.28 116.42 117.45 1otr h ASP 40 Ca -0.00 0.04 -0.01 0.00 -3.24 0.00 0.00 57.03 53.82 1otr h ASP 40 Cb 0.70 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.87 1otr h ASP 40 CO 0.00 0.48 -0.12 0.25 -2.04 0.00 0.00 179.24 177.81 1otr h LEU 41 N 0.95 -0.28 0.12 0.15 5.85 -1.98 0.50 115.31 120.62 1otr h LEU 41 Ca 0.46 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.20 1otr h LEU 41 Cb 0.41 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1otr h LEU 41 CO -0.25 -0.10 -0.52 0.74 -0.34 0.00 0.00 178.44 177.97 1otr h THR 42 N -0.52 0.02 -0.86 1.05 2.02 -1.40 -1.03 112.91 112.18 1otr h THR 42 Ca -0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.24 1otr h THR 42 Cb 0.25 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.62 1otr h THR 42 CO 0.06 0.00 0.56 0.40 0.37 0.00 0.00 175.52 176.90 1otr h ILE 43 N -0.75 0.97 -0.43 3.11 2.04 -0.58 -1.74 117.51 120.13 1otr h ILE 43 Ca -0.00 -0.29 0.09 0.00 1.00 0.00 0.00 64.86 65.65 1otr h ILE 43 Cb 0.76 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.80 1otr h ILE 43 CO -0.29 0.16 -0.10 1.23 0.00 0.00 0.00 178.15 179.15 1otr h GLY 44 N 0.85 0.32 1.28 5.37 0.00 0.41 0.56 103.07 111.86 1otr h GLY 44 Ca 0.40 0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.76 1otr h GLY 44 CO -0.16 -0.16 -0.13 1.41 0.00 0.00 0.00 176.54 177.50 1otr h LEU 45 N 0.01 0.84 -0.88 3.11 -0.00 -0.67 -2.98 115.31 114.75 1otr h LEU 45 Ca 0.21 -0.27 0.05 0.00 -0.00 0.00 0.00 57.88 57.87 1otr h LEU 45 Cb 0.31 -0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 40.69 1otr h LEU 45 CO -0.43 0.98 0.56 -0.07 -0.00 0.00 0.00 178.44 179.47 1otr h LEU 46 N 0.76 0.90 -0.23 1.67 -0.00 -0.31 -2.44 115.31 115.66 1otr h LEU 46 Ca 0.12 0.01 0.05 0.00 -0.00 0.00 0.00 57.88 58.05 1otr h LEU 46 Cb 0.63 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.07 1otr h LEU 46 CO 0.04 0.59 -0.06 -0.07 -0.00 0.00 0.00 178.44 178.95 1otr h LEU 47 N 1.04 -0.21 -3.39 1.67 3.38 -0.79 -1.30 115.31 115.71 1otr h LEU 47 Ca 0.37 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 58.27 1otr h LEU 47 Cb 0.11 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1otr h LEU 47 CO -0.15 -0.08 0.06 0.29 0.09 0.00 0.00 178.44 178.65 1otr n LYS 48 N -5.21 1.45 -0.25 1.13 5.02 -0.92 -4.50 118.16 114.88 1otr n LYS 48 Ca -0.02 -0.70 0.01 0.00 -2.02 0.00 0.00 58.31 55.59 1otr n LYS 48 Cb 0.14 -1.39 0.14 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.59 0.60 0.00 1.97 4.81 -1.19 -3.42 114.58 118.94 1otr h GLU 49 Ca 0.13 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1otr h GLU 49 Cb 1.05 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1otr h GLU 49 CO 0.28 0.40 0.00 0.27 -0.73 0.00 0.00 179.01 179.22 1otr n ASN 50 N -4.85 0.00 0.00 1.04 0.23 -1.26 -4.78 115.26 105.63 1otr n ASN 50 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 1otr n ASN 50 Cb 0.27 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 1otr n ASN 50 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1otr n ASP 51 N 0.00 0.00 -1.86 0.53 -0.08 -1.26 -4.97 116.55 108.91 1otr n ASP 51 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1otr n ASP 51 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1otr n ASP 51 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1otr n ASP 52 N 6.66 -8.11 -4.81 1.67 2.03 -1.26 -4.97 116.55 107.76 1otr n ASP 52 Ca 0.00 1.20 -0.38 0.00 0.52 0.00 0.00 54.79 56.14 1otr n ASP 52 Cb 0.00 -4.55 -0.06 0.00 -0.72 0.00 0.00 41.12 35.79 1otr n ASP 52 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1otr s LYS 53 N -1.01 3.97 0.00 -0.67 1.02 -1.26 -5.26 119.74 116.53 1otr s LYS 53 Ca 0.00 0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.31 1otr s LYS 53 Cb 0.00 -3.27 0.06 0.00 -0.52 0.00 0.00 37.83 34.10 1otr s LYS 53 CO 0.00 0.57 0.55 -1.13 -0.92 0.00 0.00 175.35 174.42