#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 -1.57 1.20 9.92 -1.26 -4.89 116.55 119.96 1otr n ASP 7 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1otr n ASP 7 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1otr n ASP 7 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1otr n ASP 8 N -0.85 4.06 0.26 -2.24 8.00 -1.26 -4.23 116.55 120.29 1otr n ASP 8 Ca 0.00 -2.07 0.13 0.00 0.71 0.00 0.00 54.79 53.56 1otr n ASP 8 Cb 0.00 -0.85 0.69 0.00 -0.02 0.00 0.00 41.12 40.94 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 1.58 0.00 -0.97 1.24 2.07 -2.00 -2.75 115.15 114.32 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 0.78 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.68 1otr h HIS 9 CO 0.27 0.13 0.62 0.93 -3.07 0.00 0.00 177.93 176.81 1otr h GLU 10 N 0.00 0.49 -0.32 5.12 5.08 -1.99 0.38 114.58 123.34 1otr h GLU 10 Ca -0.00 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1otr h GLU 10 Cb 0.42 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1otr h GLU 10 CO 0.02 0.33 0.15 0.77 -1.00 0.00 0.00 179.01 179.28 1otr h SER 11 N 0.51 0.22 -0.73 1.42 0.02 -1.86 0.24 113.55 113.37 1otr h SER 11 Ca 0.53 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.46 1otr h SER 11 Cb 1.17 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 1otr h SER 11 CO -0.26 0.17 0.32 0.11 -1.14 0.00 0.00 176.83 176.03 1otr h LYS 12 N 0.32 1.09 -0.96 3.45 1.57 -0.58 -1.37 116.57 120.09 1otr h LYS 12 Ca 0.14 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1otr h LYS 12 Cb 0.06 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 1otr h LYS 12 CO -0.10 0.87 0.63 1.25 -0.57 0.00 0.00 179.45 181.52 1otr h LEU 13 N 1.08 1.01 -0.48 2.94 5.85 0.73 -0.16 115.31 126.28 1otr h LEU 13 Ca 0.25 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1otr h LEU 13 Cb 0.16 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1otr h LEU 13 CO -0.03 0.67 0.29 0.28 -0.34 0.00 0.00 178.44 179.31 1otr h SER 14 N 1.16 0.57 -0.95 1.25 0.02 0.50 -0.54 113.55 115.56 1otr h SER 14 Ca 0.40 -0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.37 1otr h SER 14 Cb 0.10 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.43 1otr h SER 14 CO -0.14 0.45 0.62 0.40 -1.14 0.00 0.00 176.83 177.02 1otr h ILE 15 N 0.64 1.05 -0.41 3.27 1.08 -0.44 -1.39 117.51 121.31 1otr h ILE 15 Ca 0.17 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1otr h ILE 15 Cb -0.01 -0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 33.60 1otr h ILE 15 CO -0.03 0.19 0.23 -0.07 -0.69 0.00 0.00 178.15 177.78 1otr h LEU 16 N 1.07 0.51 -0.06 1.44 3.38 0.21 0.81 115.31 122.67 1otr h LEU 16 Ca 0.42 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.34 1otr h LEU 16 Cb 0.25 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1otr h LEU 16 CO -0.17 0.45 -0.18 0.24 0.09 0.00 0.00 178.44 178.87 1otr h MET 17 N 0.53 -0.25 0.00 1.13 2.86 -0.07 0.10 114.93 119.23 1otr h MET 17 Ca 0.14 0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.69 1otr h MET 17 Cb 0.05 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1otr h MET 17 CO -0.02 -0.17 -0.55 -0.44 1.06 0.00 0.00 176.91 176.79 1otr h ASP 18 N -0.26 0.00 -0.53 1.22 3.32 -1.26 -3.11 116.42 115.79 1otr h ASP 18 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1otr h ASP 18 Cb 0.36 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1otr h ASP 18 CO -0.21 0.55 0.29 -0.03 -1.72 0.00 0.00 179.24 178.12 1otr h MET 19 N 0.00 0.74 -4.81 3.56 4.05 0.17 -3.39 114.93 115.25 1otr h MET 19 Ca -0.01 -0.09 -0.66 0.00 -0.28 0.00 0.00 59.70 58.66 1otr h MET 19 Cb 0.97 -0.15 -0.37 0.00 -0.80 0.00 0.00 31.60 31.25 1otr h MET 19 CO 0.07 0.57 -0.80 -0.06 0.23 0.00 0.00 176.91 176.93 1otr s PHE 20 N -5.86 3.20 -0.40 1.39 0.08 0.26 -5.02 117.98 111.63 1otr s PHE 20 Ca -0.13 -2.30 -0.07 0.00 0.12 0.00 0.00 56.93 54.56 1otr s PHE 20 Cb 0.12 -1.93 -0.22 0.00 -0.57 0.00 0.00 43.02 40.43 1otr s PHE 20 CO 0.76 -0.87 3.44 -0.35 -0.10 0.00 0.00 175.22 178.10 1otr n PRO 21 N 4.45 2.42 0.00 0.24 -0.04 -1.26 -3.74 135.00 137.07 1otr n PRO 21 Ca -0.13 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1otr n PRO 21 Cb 0.42 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 2.69 0.00 -1.85 0.55 0.00 -1.26 -5.13 120.51 115.52 1otr n ALA 22 Ca 0.52 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.54 1otr n ALA 22 Cb 0.75 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.17 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 -1.52 2.43 0.40 0.00 1.01 -1.25 -4.95 121.20 117.32 1otr s ILE 23 Ca 0.00 0.35 -0.26 0.00 0.00 0.00 0.00 60.65 60.73 1otr s ILE 23 Cb 0.00 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.16 1otr s ILE 23 CO 0.00 0.05 1.32 -0.55 0.00 0.00 0.00 174.94 175.76 1otr s SER 24 N 0.64 6.33 0.25 3.58 0.15 -1.26 -4.88 113.70 118.51 1otr s SER 24 Ca 0.64 2.70 -0.04 0.00 0.70 0.00 0.00 55.95 59.96 1otr s SER 24 Cb -0.45 -2.64 0.40 0.00 -1.71 0.00 0.00 66.02 61.62 1otr s SER 24 CO 0.41 -0.84 1.83 0.07 1.20 0.00 0.00 173.24 175.91 1otr h LYS 25 N 2.75 0.89 -0.40 5.44 2.10 -1.97 -1.32 116.57 124.06 1otr h LYS 25 Ca -0.50 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 1otr h LYS 25 Cb 1.24 -0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 32.35 1otr h LYS 25 CO 0.63 0.59 0.26 0.77 -2.00 0.00 0.00 179.45 179.70 1otr h SER 26 N 0.92 0.46 -0.36 7.07 0.02 -2.00 -1.42 113.55 118.23 1otr h SER 26 Ca 0.41 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.36 1otr h SER 26 Cb 0.30 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1otr h SER 26 CO -0.22 0.34 0.20 0.50 -1.14 0.00 0.00 176.83 176.52 1otr h LYS 27 N 0.54 0.40 -1.01 3.45 3.64 -1.72 -1.78 116.57 120.09 1otr h LYS 27 Ca 0.15 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1otr h LYS 27 Cb -0.05 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.61 1otr h LYS 27 CO -0.03 0.27 0.65 -0.07 -2.27 0.00 0.00 179.45 178.00 1otr h LEU 28 N 0.41 1.04 -0.51 5.20 3.38 -0.93 -1.62 115.31 122.29 1otr h LEU 28 Ca 0.15 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1otr h LEU 28 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1otr h LEU 28 CO -0.08 0.66 0.27 -0.61 0.09 0.00 0.00 178.44 178.77 1otr h GLN 29 N 1.18 0.72 -0.24 1.13 4.15 -0.56 -0.73 115.11 120.76 1otr h GLN 29 Ca 0.44 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.78 1otr h GLN 29 Cb 0.18 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1otr h GLN 29 CO -0.18 0.57 0.11 0.28 -1.93 0.00 0.00 178.83 177.69 1otr h VAL 30 N 0.68 0.98 -0.93 2.39 2.07 -0.51 -1.15 116.25 119.79 1otr h VAL 30 Ca 0.18 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1otr h VAL 30 Cb 0.07 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1otr h VAL 30 CO -0.03 0.04 0.55 0.45 0.02 0.00 0.00 177.57 178.61 1otr h HIS 31 N 0.24 1.23 -0.09 1.57 3.86 -1.12 -1.95 115.15 118.90 1otr h HIS 31 Ca 0.10 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1otr h HIS 31 Cb 0.04 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.10 1otr h HIS 31 CO -0.10 0.82 0.06 1.25 0.86 0.00 0.00 177.93 180.82 1otr h LEU 32 N 1.28 0.10 -0.50 2.43 5.85 -0.55 -0.57 115.31 123.35 1otr h LEU 32 Ca 0.33 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.05 1otr h LEU 32 Cb -0.04 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1otr h LEU 32 CO -0.06 0.08 0.33 -0.07 -0.34 0.00 0.00 178.44 178.38 1otr h LEU 33 N 0.11 0.56 -0.25 2.25 3.38 -0.95 0.45 115.31 120.86 1otr h LEU 33 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1otr h LEU 33 Cb -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1otr h LEU 33 CO -0.01 0.41 0.12 -0.33 0.09 0.00 0.00 178.44 178.72 1otr h GLU 34 N 0.67 0.35 -1.88 1.13 4.39 -1.15 -2.96 114.58 115.13 1otr h GLU 34 Ca 0.19 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1otr h GLU 34 Cb -0.07 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1otr h GLU 34 CO -0.05 0.35 0.00 0.09 -1.16 0.00 0.00 179.01 178.24 1otr n ASN 35 N -4.83 4.87 -4.12 1.42 3.02 -0.24 -4.75 115.26 110.64 1otr n ASN 35 Ca -0.03 -2.30 -0.34 0.00 -0.03 0.00 0.00 54.58 51.88 1otr n ASN 35 Cb 0.09 -1.01 -0.01 0.00 -0.61 0.00 0.00 39.78 38.24 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 1.39 -3.41 -3.79 6.41 4.13 -1.12 -1.06 115.26 117.82 1otr n ASN 36 Ca 0.00 -0.95 -0.26 0.00 1.68 0.00 0.00 54.58 55.05 1otr n ASN 36 Cb 0.48 -3.09 0.03 0.00 -1.54 0.00 0.00 39.78 35.67 1otr n ASN 36 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1otr n ASN 37 N -2.73 -3.40 -4.28 6.41 4.13 0.16 -4.97 115.26 110.57 1otr n ASN 37 Ca 0.03 -0.77 -0.34 0.00 1.68 0.00 0.00 54.58 55.18 1otr n ASN 37 Cb 0.52 -4.07 -0.15 0.00 -1.54 0.00 0.00 39.78 34.54 1otr n ASN 37 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1otr s ASP 38 N -3.76 3.83 0.07 6.41 1.01 -0.22 -5.01 116.67 119.00 1otr s ASP 38 Ca 0.38 -0.45 -0.15 0.00 0.71 0.00 0.00 52.55 53.04 1otr s ASP 38 Cb -0.19 -1.61 -0.21 0.00 1.01 0.00 0.00 42.92 41.92 1otr s ASP 38 CO 0.81 0.06 1.21 -0.07 0.21 0.00 0.00 175.17 177.39 1otr h LEU 39 N 7.52 0.86 -0.71 1.23 3.38 -1.93 -2.08 115.31 123.58 1otr h LEU 39 Ca -0.36 -0.71 0.03 0.00 0.09 0.00 0.00 57.88 56.93 1otr h LEU 39 Cb 1.18 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1otr h LEU 39 CO 0.59 1.45 0.44 -2.24 0.09 0.00 0.00 178.44 178.78 1otr h ASP 40 N 0.35 0.73 0.10 -0.43 2.03 -1.97 0.18 116.42 117.41 1otr h ASP 40 Ca -0.10 -0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.19 1otr h ASP 40 Cb 1.56 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.90 1otr h ASP 40 CO 0.18 0.51 -0.05 0.25 -1.03 0.00 0.00 179.24 179.10 1otr h LEU 41 N 0.87 -0.11 0.26 0.15 5.85 -1.92 -0.86 115.31 119.55 1otr h LEU 41 Ca 0.28 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1otr h LEU 41 Cb 0.02 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1otr h LEU 41 CO -0.11 0.51 -0.33 0.74 -0.34 0.00 0.00 178.44 178.92 1otr h THR 42 N -0.83 0.32 -0.43 1.05 2.02 -1.33 -1.66 112.91 112.05 1otr h THR 42 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1otr h THR 42 Cb 0.58 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1otr h THR 42 CO 0.02 0.00 0.23 0.40 0.37 0.00 0.00 175.52 176.54 1otr h ILE 43 N -0.64 1.16 -0.98 3.11 2.04 -0.78 -1.77 117.51 119.65 1otr h ILE 43 Ca -0.00 -0.41 0.22 0.00 1.00 0.00 0.00 64.86 65.66 1otr h ILE 43 Cb 0.61 0.65 -0.12 0.00 -0.74 0.00 0.00 36.82 37.22 1otr h ILE 43 CO -0.11 0.17 0.57 1.23 0.00 0.00 0.00 178.15 180.01 1otr h GLY 44 N 0.56 1.79 0.87 5.37 0.00 -0.87 0.29 103.07 111.07 1otr h GLY 44 Ca 0.15 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1otr h GLY 44 CO -0.02 -0.17 -0.21 -2.00 0.00 0.00 0.00 176.54 174.15 1otr h LEU 45 N 0.63 0.58 -1.01 3.11 7.12 -0.84 -3.22 115.31 121.70 1otr h LEU 45 Ca 0.60 -0.46 -0.03 0.00 0.13 0.00 0.00 57.88 58.11 1otr h LEU 45 Cb 1.05 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.98 1otr h LEU 45 CO -0.44 0.93 0.31 -0.07 -0.13 0.00 0.00 178.44 179.03 1otr h LEU 46 N 0.25 0.92 -0.71 2.25 3.38 0.04 -2.88 115.31 118.56 1otr h LEU 46 Ca 0.04 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.04 1otr h LEU 46 Cb 0.75 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 1otr h LEU 46 CO 0.05 0.80 0.21 -0.07 0.09 0.00 0.00 178.44 179.53 1otr h LEU 47 N 1.00 0.11 -3.48 1.67 3.38 -0.57 0.35 115.31 117.78 1otr h LEU 47 Ca 0.24 0.12 -0.16 0.00 0.09 0.00 0.00 57.88 58.17 1otr h LEU 47 Cb 0.15 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1otr h LEU 47 CO -0.03 0.03 0.05 0.29 0.09 0.00 0.00 178.44 178.87 1otr n LYS 48 N -5.09 1.54 -0.11 1.13 5.02 -1.09 -4.47 118.16 115.10 1otr n LYS 48 Ca 0.13 -0.81 -0.10 0.00 -2.02 0.00 0.00 58.31 55.51 1otr n LYS 48 Cb 0.41 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 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 1.74 0.52 0.00 1.97 4.81 -1.06 -3.42 114.58 119.14 1otr h GLU 49 Ca 0.15 -0.13 -0.15 0.00 -0.13 0.00 0.00 59.36 59.10 1otr h GLU 49 Cb 1.07 -0.06 -0.12 0.00 0.63 0.00 0.00 28.75 30.26 1otr h GLU 49 CO 0.31 0.59 -0.07 0.27 -0.73 0.00 0.00 179.01 179.39 1otr n ASN 50 N -4.63 -1.54 0.00 1.04 0.23 -1.26 -5.14 115.26 103.96 1otr n ASN 50 Ca -0.02 -2.28 0.00 0.00 -0.53 0.00 0.00 54.58 51.75 1otr n ASN 50 Cb 0.20 1.26 0.00 0.00 -2.08 0.00 0.00 39.78 39.16 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 0.02 0.00 -0.28 0.53 8.00 -1.26 -4.79 116.55 118.76 1otr n ASP 51 Ca -0.09 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.38 1otr n ASP 51 Cb 0.73 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.92 1otr n ASP 51 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1otr h ASP 52 N 0.00 0.86 -3.66 -2.24 3.58 -2.00 -3.43 116.42 109.54 1otr h ASP 52 Ca 0.00 -0.01 -0.56 0.00 0.42 0.00 0.00 57.03 56.88 1otr h ASP 52 Cb 0.00 -0.20 0.14 0.00 1.72 0.00 0.00 39.33 40.99 1otr h ASP 52 CO 0.00 0.60 0.44 2.29 -2.88 0.00 0.00 179.24 179.69 1otr n LYS 53 N -4.58 1.64 0.00 0.28 -0.00 -1.26 -5.28 118.16 108.96 1otr n LYS 53 Ca 0.09 0.59 0.02 0.00 -0.00 0.00 0.00 58.31 59.01 1otr n LYS 53 Cb 0.06 -2.38 0.11 0.00 -0.00 0.00 0.00 35.03 32.82 1otr n LYS 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85