#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 0.77 -3.87 0.53 3.58 -2.08 -3.48 116.42 111.86 1otr h ASP 7 Ca 0.00 -0.87 -0.27 0.00 0.42 0.00 0.00 57.03 56.31 1otr h ASP 7 Cb 0.00 -0.25 0.08 0.00 1.72 0.00 0.00 39.33 40.88 1otr h ASP 7 CO 0.00 1.57 -0.44 0.47 -2.88 0.00 0.00 179.24 177.96 1otr n ASP 8 N -3.87 -4.84 0.23 2.28 8.00 -1.26 -4.90 116.55 112.19 1otr n ASP 8 Ca -0.14 -0.30 0.11 0.00 0.71 0.00 0.00 54.79 55.16 1otr n ASP 8 Cb 0.97 -3.52 0.49 0.00 -0.02 0.00 0.00 41.12 39.04 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 -1.52 0.00 -1.00 1.24 2.07 -1.98 -3.08 115.15 110.88 1otr h HIS 9 Ca -0.37 0.00 0.25 0.00 -2.85 0.00 0.00 60.37 57.39 1otr h HIS 9 Cb 1.25 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.15 1otr h HIS 9 CO 0.34 0.19 0.65 0.93 -3.07 0.00 0.00 177.93 176.98 1otr h GLU 10 N 0.00 0.38 -0.17 5.12 4.39 -1.98 0.31 114.58 122.62 1otr h GLU 10 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1otr h GLU 10 Cb 0.70 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1otr h GLU 10 CO 0.03 0.25 0.11 1.03 -1.16 0.00 0.00 179.01 179.26 1otr h SER 11 N 0.39 0.17 -0.98 1.42 0.87 -1.94 0.29 113.55 113.77 1otr h SER 11 Ca 0.55 -0.00 0.05 0.00 -1.23 0.00 0.00 61.79 61.15 1otr h SER 11 Cb 1.41 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 63.27 1otr h SER 11 CO -0.24 0.13 0.64 0.11 -0.53 0.00 0.00 176.83 176.94 1otr h LYS 12 N 0.22 1.17 -0.81 2.24 6.56 -0.64 -1.23 116.57 124.07 1otr h LYS 12 Ca 0.07 -0.07 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1otr h LYS 12 Cb -0.01 -0.26 -0.04 0.00 -0.57 0.00 0.00 32.23 31.35 1otr h LYS 12 CO -0.03 0.78 0.35 1.25 -2.06 0.00 0.00 179.45 179.74 1otr h LEU 13 N 1.21 1.10 -0.37 2.94 5.85 0.01 -1.79 115.31 124.26 1otr h LEU 13 Ca 0.40 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1otr h LEU 13 Cb 0.06 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1otr h LEU 13 CO -0.14 0.95 0.22 0.77 -0.34 0.00 0.00 178.44 179.91 1otr h SER 14 N 1.17 0.37 -0.83 1.25 4.64 0.71 -0.22 113.55 120.64 1otr h SER 14 Ca 0.27 -0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.65 1otr h SER 14 Cb 0.18 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.13 1otr h SER 14 CO -0.03 0.27 0.52 0.40 -0.87 0.00 0.00 176.83 177.12 1otr h ILE 15 N 0.46 1.05 -0.87 0.95 5.03 -1.07 -1.43 117.51 121.63 1otr h ILE 15 Ca 0.14 -0.33 0.02 0.00 -0.12 0.00 0.00 64.86 64.57 1otr h ILE 15 Cb -0.01 0.01 -0.05 0.00 -3.03 0.00 0.00 36.82 33.75 1otr h ILE 15 CO -0.06 0.17 0.57 -0.07 -0.68 0.00 0.00 178.15 178.09 1otr h LEU 16 N 0.96 0.98 0.53 1.44 3.38 -0.40 0.25 115.31 122.44 1otr h LEU 16 Ca 0.36 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 1otr h LEU 16 Cb 0.14 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.66 1otr h LEU 16 CO -0.16 0.70 -0.26 0.24 0.09 0.00 0.00 178.44 179.05 1otr h MET 17 N 1.15 -0.69 -0.48 1.13 2.86 -0.03 -0.64 114.93 118.22 1otr h MET 17 Ca 0.33 0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.96 1otr h MET 17 Cb -0.09 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1otr h MET 17 CO -0.08 -0.42 0.08 0.22 1.06 0.00 0.00 176.91 177.76 1otr h ASP 18 N -0.81 0.77 -0.81 1.22 3.58 -1.29 -3.01 116.42 116.07 1otr h ASP 18 Ca -0.07 -0.26 0.02 0.00 0.42 0.00 0.00 57.03 57.13 1otr h ASP 18 Cb 0.59 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.39 1otr h ASP 18 CO 0.12 0.84 0.53 -0.03 -2.88 0.00 0.00 179.24 177.82 1otr h MET 19 N 0.68 1.03 -2.98 0.28 4.05 -0.50 -3.29 114.93 114.20 1otr h MET 19 Ca 0.15 -0.06 -0.67 0.00 -0.28 0.00 0.00 59.70 58.83 1otr h MET 19 Cb 0.40 -0.23 -0.38 0.00 -0.80 0.00 0.00 31.60 30.59 1otr h MET 19 CO 0.01 0.68 -0.23 1.19 0.23 0.00 0.00 176.91 178.79 1otr n PHE 20 N -4.55 3.70 -0.75 1.39 3.72 -0.25 -4.96 117.46 115.75 1otr n PHE 20 Ca 0.09 -4.04 -0.12 0.00 -0.05 0.00 0.00 57.45 53.33 1otr n PHE 20 Cb 0.04 -0.90 -0.11 0.00 -0.94 0.00 0.00 39.48 37.57 1otr n PHE 20 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1otr n PRO 21 N 1.81 1.63 0.00 -1.08 -0.04 -1.19 -3.15 135.00 132.97 1otr n PRO 21 Ca 0.24 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1otr n PRO 21 Cb 0.37 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 2.86 0.00 -1.85 0.55 0.00 -1.26 -5.12 120.51 115.69 1otr n ALA 22 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 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 -1.31 2.56 0.37 0.00 1.01 -1.19 -4.94 121.20 117.71 1otr s ILE 23 Ca 0.00 0.49 -0.28 0.00 0.00 0.00 0.00 60.65 60.86 1otr s ILE 23 Cb 0.00 -3.31 -0.11 0.00 0.01 0.00 0.00 42.46 39.05 1otr s ILE 23 CO 0.00 0.08 1.50 -0.94 0.00 0.00 0.00 174.94 175.58 1otr s SER 24 N 0.26 6.34 0.42 3.58 1.04 -1.26 -4.88 113.70 119.19 1otr s SER 24 Ca 0.58 3.05 0.13 0.00 0.48 0.00 0.00 55.95 60.19 1otr s SER 24 Cb -0.43 -2.67 0.98 0.00 0.10 0.00 0.00 66.02 64.01 1otr s SER 24 CO 0.46 -0.88 1.96 0.11 0.98 0.00 0.00 173.24 175.87 1otr h LYS 25 N 3.12 0.46 -0.33 4.02 1.57 -1.96 -2.27 116.57 121.18 1otr h LYS 25 Ca -0.51 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.31 1otr h LYS 25 Cb 1.24 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 1otr h LYS 25 CO 0.65 0.30 -0.09 0.66 -0.57 0.00 0.00 179.45 180.40 1otr h SER 26 N 0.47 -0.34 -0.54 0.86 4.64 -1.99 0.03 113.55 116.67 1otr h SER 26 Ca 0.31 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1otr h SER 26 Cb 0.57 0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 1otr h SER 26 CO -0.09 -0.12 0.34 0.50 -0.87 0.00 0.00 176.83 176.59 1otr h LYS 27 N -0.02 0.73 -0.58 4.77 3.64 -1.78 -0.90 116.57 122.42 1otr h LYS 27 Ca 0.16 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1otr h LYS 27 Cb 0.26 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1otr h LYS 27 CO -0.35 0.51 0.37 -0.07 -2.27 0.00 0.00 179.45 177.64 1otr h LEU 28 N 0.73 0.68 -0.57 5.20 3.38 -1.29 -1.65 115.31 121.79 1otr h LEU 28 Ca 0.20 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1otr h LEU 28 Cb -0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1otr h LEU 28 CO -0.04 0.51 0.02 -0.61 0.09 0.00 0.00 178.44 178.41 1otr h GLN 29 N 0.78 0.99 0.55 1.13 5.75 -0.74 -1.74 115.11 121.84 1otr h GLN 29 Ca 0.21 -0.31 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 1otr h GLN 29 Cb -0.06 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.40 1otr h GLN 29 CO -0.04 0.98 -0.27 0.28 -2.65 0.00 0.00 178.83 177.13 1otr h VAL 30 N 0.88 0.43 -0.63 2.39 2.07 -0.85 -1.34 116.25 119.20 1otr h VAL 30 Ca 0.16 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1otr h VAL 30 Cb 0.52 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1otr h VAL 30 CO 0.03 0.02 0.29 1.12 0.02 0.00 0.00 177.57 179.04 1otr h HIS 31 N -0.83 0.93 -0.31 1.57 2.07 -1.35 -2.17 115.15 115.05 1otr h HIS 31 Ca -0.08 -0.06 0.02 0.00 -2.85 0.00 0.00 60.37 57.41 1otr h HIS 31 Cb 0.61 -0.29 -0.03 0.00 2.57 0.00 0.00 27.41 30.27 1otr h HIS 31 CO -0.02 0.72 0.14 1.25 -3.07 0.00 0.00 177.93 176.95 1otr h LEU 32 N 0.88 0.20 -0.09 6.12 5.85 -1.29 0.15 115.31 127.12 1otr h LEU 32 Ca 0.22 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1otr h LEU 32 Cb 0.15 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1otr h LEU 32 CO -0.02 0.15 0.04 -0.07 -0.34 0.00 0.00 178.44 178.20 1otr h LEU 33 N 0.30 0.12 -0.13 2.25 3.38 -1.08 0.57 115.31 120.73 1otr h LEU 33 Ca 0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1otr h LEU 33 Cb 0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1otr h LEU 33 CO -0.10 0.21 -0.05 -0.33 0.09 0.00 0.00 178.44 178.25 1otr h GLU 34 N 0.02 0.26 -2.00 1.13 4.39 -1.26 -3.25 114.58 113.87 1otr h GLU 34 Ca 0.03 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1otr h GLU 34 Cb 0.12 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1otr h GLU 34 CO -0.00 0.59 -0.00 0.09 -1.16 0.00 0.00 179.01 178.52 1otr n ASN 35 N -4.69 4.51 -4.22 1.42 3.02 0.50 -4.75 115.26 111.05 1otr n ASN 35 Ca -0.06 -2.19 -0.32 0.00 -0.03 0.00 0.00 54.58 51.98 1otr n ASN 35 Cb 0.28 -0.95 -0.06 0.00 -0.61 0.00 0.00 39.78 38.43 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 1.58 -0.51 -4.44 6.41 3.02 -1.23 -0.86 115.26 119.24 1otr n ASN 36 Ca 0.00 -1.14 -0.41 0.00 -0.03 0.00 0.00 54.58 53.00 1otr n ASN 36 Cb 0.42 -2.25 -0.07 0.00 -0.61 0.00 0.00 39.78 37.28 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 -2.83 -2.17 -4.78 6.41 6.94 0.20 -4.90 115.26 114.14 1otr n ASN 37 Ca -0.20 -1.16 -0.39 0.00 -0.02 0.00 0.00 54.58 52.81 1otr n ASN 37 Cb 0.63 -1.86 -0.06 0.00 -2.36 0.00 0.00 39.78 36.13 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 -3.23 7.39 -0.22 0.53 1.11 -0.04 -5.00 116.67 117.21 1otr s ASP 38 Ca 0.80 1.69 -0.16 0.00 0.18 0.00 0.00 52.55 55.06 1otr s ASP 38 Cb -0.46 -2.51 -0.09 0.00 1.07 0.00 0.00 42.92 40.92 1otr s ASP 38 CO 0.99 0.16 -0.28 0.18 1.18 0.00 0.00 175.17 177.40 1otr n LEU 39 N 1.40 1.93 -0.07 1.23 4.77 -1.26 -3.81 117.00 121.19 1otr n LEU 39 Ca -0.04 0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 56.21 1otr n LEU 39 Cb 0.49 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1otr n LEU 39 CO 0.46 0.09 0.90 -0.78 -1.33 0.00 0.00 177.39 176.73 1otr h ASP 40 N -1.00 0.31 0.34 -1.43 3.58 -1.97 -0.72 116.42 115.53 1otr h ASP 40 Ca -0.31 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.00 1otr h ASP 40 Cb 1.22 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1otr h ASP 40 CO -0.19 0.34 -0.16 0.25 -2.88 0.00 0.00 179.24 176.61 1otr h LEU 41 N 0.25 -0.38 0.30 2.28 5.85 -1.98 0.87 115.31 122.51 1otr h LEU 41 Ca 0.08 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1otr h LEU 41 Cb 0.12 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1otr h LEU 41 CO -0.01 0.05 -0.29 0.74 -0.34 0.00 0.00 178.44 178.59 1otr h THR 42 N -0.92 0.38 -0.65 1.05 2.02 -1.66 -2.15 112.91 110.99 1otr h THR 42 Ca -0.05 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 1otr h THR 42 Cb 0.52 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1otr h THR 42 CO 0.08 0.00 0.20 0.40 0.37 0.00 0.00 175.52 176.57 1otr h ILE 43 N -0.62 1.25 -0.59 3.11 2.04 -1.25 -1.59 117.51 119.86 1otr h ILE 43 Ca -0.01 -0.85 0.12 0.00 1.00 0.00 0.00 64.86 65.11 1otr h ILE 43 Cb 0.57 0.57 -0.10 0.00 -0.74 0.00 0.00 36.82 37.12 1otr h ILE 43 CO -0.05 0.33 -0.06 1.23 0.00 0.00 0.00 178.15 179.59 1otr h GLY 44 N 0.94 0.55 1.08 5.37 0.00 -0.54 0.34 103.07 110.81 1otr h GLY 44 Ca 0.21 0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.55 1otr h GLY 44 CO -0.01 -0.21 -0.13 -2.00 0.00 0.00 0.00 176.54 174.20 1otr h LEU 45 N 0.07 1.00 -1.22 3.11 6.46 -1.23 -2.98 115.31 120.52 1otr h LEU 45 Ca 0.30 -0.36 0.07 0.00 -0.12 0.00 0.00 57.88 57.76 1otr h LEU 45 Cb 0.47 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.08 1otr h LEU 45 CO -0.55 1.13 0.55 0.25 -0.62 0.00 0.00 178.44 179.21 1otr h LEU 46 N 0.85 0.83 -0.27 2.25 5.85 0.19 -2.20 115.31 122.81 1otr h LEU 46 Ca 0.13 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1otr h LEU 46 Cb 0.70 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1otr h LEU 46 CO 0.05 0.53 0.14 -0.07 -0.34 0.00 0.00 178.44 178.75 1otr h LEU 47 N 0.94 0.34 -3.24 2.25 3.38 -0.30 -2.67 115.31 116.01 1otr h LEU 47 Ca 0.37 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 1otr h LEU 47 Cb 0.23 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1otr h LEU 47 CO -0.13 0.34 -0.00 2.29 0.09 0.00 0.00 178.44 181.03 1otr n LYS 48 N -4.83 1.27 0.02 1.13 2.85 -0.83 -4.36 118.16 113.42 1otr n LYS 48 Ca -0.02 -0.38 -0.08 0.00 -1.05 0.00 0.00 58.31 56.77 1otr n LYS 48 Cb 0.09 -1.25 -0.06 0.00 -0.65 0.00 0.00 35.03 33.16 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 1.40 -0.15 0.00 -1.58 4.81 -1.48 -3.40 114.58 114.18 1otr h GLU 49 Ca 0.07 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1otr h GLU 49 Cb 1.06 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1otr h GLU 49 CO 0.14 0.23 -0.44 -0.97 -0.73 0.00 0.00 179.01 177.24 1otr h ASN 50 N -0.97 0.00 -4.17 1.04 -0.00 -1.85 -3.51 115.58 106.12 1otr h ASN 50 Ca -0.02 -0.71 0.00 0.00 -0.00 0.00 0.00 56.30 55.58 1otr h ASN 50 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 1otr h ASN 50 CO 0.03 1.11 -0.70 0.47 -0.00 0.00 0.00 177.43 178.33 1otr n ASP 51 N -4.57 -7.35 -0.20 1.15 8.00 -1.26 -4.78 116.55 107.55 1otr n ASP 51 Ca -0.16 0.98 -0.05 0.00 0.71 0.00 0.00 54.79 56.27 1otr n ASP 51 Cb 0.50 -3.46 0.05 0.00 -0.02 0.00 0.00 41.12 38.18 1otr n ASP 51 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1otr h ASP 52 N 1.99 0.58 -3.55 -2.24 3.32 -1.98 -3.42 116.42 111.11 1otr h ASP 52 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1otr h ASP 52 Cb 0.00 -0.12 0.08 0.00 0.22 0.00 0.00 39.33 39.50 1otr h ASP 52 CO 0.00 0.41 0.79 -0.54 -1.72 0.00 0.00 179.24 178.17 1otr s LYS 53 N -6.14 4.20 0.00 3.56 3.01 -1.26 -5.30 119.74 117.82 1otr s LYS 53 Ca -0.13 2.43 0.00 0.00 -1.01 0.00 0.00 55.97 57.26 1otr s LYS 53 Cb 0.14 -3.05 0.00 0.00 -1.01 0.00 0.00 37.83 33.91 1otr s LYS 53 CO 0.75 -0.48 0.00 -1.13 0.51 0.00 0.00 175.35 175.00