#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 -2.74 0.53 2.03 -1.26 -4.99 116.55 110.12 1otr n ASP 7 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 1otr n ASP 7 Cb 0.00 0.04 0.05 0.00 -0.72 0.00 0.00 41.12 40.49 1otr n ASP 7 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1otr n ASP 8 N -1.28 1.14 0.25 1.67 9.92 -1.26 -4.89 116.55 122.10 1otr n ASP 8 Ca 0.00 -2.37 0.13 0.00 -0.53 0.00 0.00 54.79 52.01 1otr n ASP 8 Cb 0.00 -0.35 0.63 0.00 -0.64 0.00 0.00 41.12 40.76 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 2.67 0.00 -0.99 1.24 2.07 -1.96 -3.04 115.15 115.13 1otr h HIS 9 Ca -0.15 0.00 0.23 0.00 -2.85 0.00 0.00 60.37 57.60 1otr h HIS 9 Cb 1.23 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.12 1otr h HIS 9 CO 0.45 0.14 0.63 1.05 -3.07 0.00 0.00 177.93 177.13 1otr h GLU 10 N 0.00 0.50 -0.26 5.12 9.09 -1.98 0.40 114.58 127.44 1otr h GLU 10 Ca -0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.37 1otr h GLU 10 Cb 0.52 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.49 1otr h GLU 10 CO 0.02 0.33 0.14 1.03 0.05 0.00 0.00 179.01 180.58 1otr h SER 11 N 0.51 0.33 -0.78 3.06 0.87 -1.96 0.12 113.55 115.70 1otr h SER 11 Ca 0.56 -0.09 0.05 0.00 -1.23 0.00 0.00 61.79 61.08 1otr h SER 11 Cb 1.24 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 63.07 1otr h SER 11 CO -0.30 0.32 0.51 0.11 -0.53 0.00 0.00 176.83 176.95 1otr h LYS 12 N 0.31 0.87 -0.78 2.24 6.56 -0.51 0.46 116.57 125.72 1otr h LYS 12 Ca 0.09 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.60 1otr h LYS 12 Cb 0.07 -0.20 -0.04 0.00 -0.57 0.00 0.00 32.23 31.50 1otr h LYS 12 CO -0.01 0.57 0.38 1.25 -2.06 0.00 0.00 179.45 179.58 1otr h LEU 13 N 0.89 1.00 -0.11 2.94 5.85 0.30 -1.29 115.31 124.90 1otr h LEU 13 Ca 0.32 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1otr h LEU 13 Cb 0.15 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1otr h LEU 13 CO -0.10 0.84 0.06 -1.28 -0.34 0.00 0.00 178.44 177.61 1otr h SER 14 N 1.10 0.10 -0.84 1.25 0.87 0.10 -0.66 113.55 115.47 1otr h SER 14 Ca 0.27 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.89 1otr h SER 14 Cb 0.09 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 61.98 1otr h SER 14 CO -0.04 0.07 0.55 0.40 -0.53 0.00 0.00 176.83 177.28 1otr h ILE 15 N 0.13 1.07 -0.42 2.23 5.03 -0.94 -1.56 117.51 123.05 1otr h ILE 15 Ca 0.04 -0.32 -0.00 0.00 -0.12 0.00 0.00 64.86 64.46 1otr h ILE 15 Cb -0.00 0.04 -0.02 0.00 -3.03 0.00 0.00 36.82 33.81 1otr h ILE 15 CO -0.02 0.17 0.25 -0.07 -0.68 0.00 0.00 178.15 177.80 1otr h LEU 16 N 0.94 0.50 -0.10 1.44 3.38 -0.26 0.87 115.31 122.09 1otr h LEU 16 Ca 0.35 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.29 1otr h LEU 16 Cb 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1otr h LEU 16 CO -0.12 0.41 -0.05 0.24 0.09 0.00 0.00 178.44 179.01 1otr h MET 17 N 0.55 -0.05 -0.06 1.13 2.86 -0.19 -0.37 114.93 118.81 1otr h MET 17 Ca 0.15 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.66 1otr h MET 17 Cb 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1otr h MET 17 CO -0.03 -0.03 -0.56 -0.44 1.06 0.00 0.00 176.91 176.91 1otr h ASP 18 N -0.05 0.19 -0.66 1.22 5.19 -1.20 -3.10 116.42 118.02 1otr h ASP 18 Ca 0.06 -0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.33 1otr h ASP 18 Cb 0.13 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 1otr h ASP 18 CO -0.13 0.71 0.26 -0.03 -3.12 0.00 0.00 179.24 176.92 1otr h MET 19 N 0.13 1.01 -4.18 3.56 4.05 0.14 -3.38 114.93 116.26 1otr h MET 19 Ca -0.00 -0.18 -0.62 0.00 -0.28 0.00 0.00 59.70 58.63 1otr h MET 19 Cb 1.02 -0.17 -0.39 0.00 -0.80 0.00 0.00 31.60 31.26 1otr h MET 19 CO 0.08 0.83 -0.75 -0.06 0.23 0.00 0.00 176.91 177.24 1otr s PHE 20 N -5.44 2.59 -0.02 1.39 0.08 -0.20 -5.02 117.98 111.36 1otr s PHE 20 Ca -0.11 -2.14 -0.06 0.00 0.12 0.00 0.00 56.93 54.74 1otr s PHE 20 Cb 0.16 -2.05 -0.26 0.00 -0.57 0.00 0.00 43.02 40.30 1otr s PHE 20 CO 0.82 -0.86 3.58 -0.35 -0.10 0.00 0.00 175.22 178.30 1otr n PRO 21 N 4.60 2.00 0.00 0.24 -0.04 -1.25 -3.69 135.00 136.86 1otr n PRO 21 Ca -0.03 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 1otr n PRO 21 Cb 0.43 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 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 2.43 0.00 -1.73 0.55 0.00 -1.26 -5.13 120.51 115.37 1otr n ALA 22 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1otr n ALA 22 Cb 0.90 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.33 1otr n ALA 22 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1otr n ILE 23 N -1.58 0.73 -1.91 0.00 5.41 -1.24 -4.93 119.36 115.83 1otr n ILE 23 Ca 0.00 -0.18 -0.40 0.00 1.00 0.00 0.00 62.75 63.17 1otr n ILE 23 Cb 0.00 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 36.99 1otr n ILE 23 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1otr s SER 24 N 0.68 6.22 0.27 4.38 1.04 -1.26 -4.91 113.70 120.12 1otr s SER 24 Ca 0.67 2.85 -0.03 0.00 0.48 0.00 0.00 55.95 59.92 1otr s SER 24 Cb -0.51 -2.65 0.39 0.00 0.10 0.00 0.00 66.02 63.35 1otr s SER 24 CO 0.44 -0.93 1.92 0.07 0.98 0.00 0.00 173.24 175.71 1otr h LYS 25 N 2.71 1.17 -0.30 4.02 2.10 -1.97 -2.27 116.57 122.03 1otr h LYS 25 Ca -0.50 -0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.09 1otr h LYS 25 Cb 1.25 -0.26 -0.02 0.00 -0.90 0.00 0.00 32.23 32.29 1otr h LYS 25 CO 0.63 0.77 0.16 1.03 -2.00 0.00 0.00 179.45 180.04 1otr h SER 26 N 1.21 0.24 -0.35 7.07 0.87 -1.99 -0.82 113.55 119.78 1otr h SER 26 Ca 0.39 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.98 1otr h SER 26 Cb 0.03 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1otr h SER 26 CO -0.12 0.18 0.19 0.50 -0.53 0.00 0.00 176.83 177.05 1otr h LYS 27 N 0.33 0.38 -0.91 2.24 3.64 -1.83 -1.67 116.57 118.75 1otr h LYS 27 Ca 0.12 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1otr h LYS 27 Cb 0.03 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 1otr h LYS 27 CO -0.08 0.25 0.59 -0.07 -2.27 0.00 0.00 179.45 177.87 1otr h LEU 28 N 0.39 0.98 -0.75 5.20 3.38 -1.09 -1.83 115.31 121.59 1otr h LEU 28 Ca 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1otr h LEU 28 Cb 0.03 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1otr h LEU 28 CO -0.08 0.67 0.45 -0.61 0.09 0.00 0.00 178.44 178.96 1otr h GLN 29 N 1.14 1.02 0.04 1.13 4.15 -0.56 -1.01 115.11 121.02 1otr h GLN 29 Ca 0.36 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 1otr h GLN 29 Cb 0.01 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.49 1otr h GLN 29 CO -0.12 0.72 -0.02 0.28 -1.93 0.00 0.00 178.83 177.76 1otr h VAL 30 N 1.02 0.98 -0.70 2.39 2.07 -0.54 -1.54 116.25 119.94 1otr h VAL 30 Ca 0.27 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.73 1otr h VAL 30 Cb -0.03 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1otr h VAL 30 CO -0.05 0.02 0.45 0.45 0.02 0.00 0.00 177.57 178.46 1otr h HIS 31 N -0.08 0.86 -0.13 1.57 3.86 -1.16 -2.07 115.15 118.00 1otr h HIS 31 Ca -0.01 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1otr h HIS 31 Cb 0.07 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 1otr h HIS 31 CO -0.07 0.53 0.06 1.25 0.86 0.00 0.00 177.93 180.56 1otr h LEU 32 N 0.92 0.08 -0.36 2.43 5.85 -0.97 -0.69 115.31 122.57 1otr h LEU 32 Ca 0.26 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1otr h LEU 32 Cb -0.07 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1otr h LEU 32 CO -0.07 0.07 0.24 -0.07 -0.34 0.00 0.00 178.44 178.26 1otr h LEU 33 N 0.13 0.42 -0.21 2.25 3.38 -1.05 0.42 115.31 120.64 1otr h LEU 33 Ca 0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1otr h LEU 33 Cb 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1otr h LEU 33 CO -0.04 0.31 0.03 -0.33 0.09 0.00 0.00 178.44 178.49 1otr h GLU 34 N 0.49 0.36 -2.03 1.13 4.39 -1.23 -3.22 114.58 114.47 1otr h GLU 34 Ca 0.13 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1otr h GLU 34 Cb -0.05 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1otr h GLU 34 CO -0.03 0.51 -0.14 0.09 -1.16 0.00 0.00 179.01 178.28 1otr n ASN 35 N -4.72 4.98 -2.92 1.42 3.02 -0.28 -4.72 115.26 112.05 1otr n ASN 35 Ca -0.04 -2.36 -0.15 0.00 -0.03 0.00 0.00 54.58 52.00 1otr n ASN 35 Cb 0.20 -1.18 -0.01 0.00 -0.61 0.00 0.00 39.78 38.19 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 1.95 -2.85 -3.65 6.41 4.13 -1.22 -1.37 115.26 118.67 1otr n ASN 36 Ca 0.17 -0.02 -0.21 0.00 1.68 0.00 0.00 54.58 56.20 1otr n ASN 36 Cb 0.64 -2.44 0.05 0.00 -1.54 0.00 0.00 39.78 36.49 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 -1.92 -2.15 -4.47 6.41 3.02 0.15 -4.92 115.26 111.38 1otr n ASN 37 Ca -0.04 -0.75 -0.33 0.00 -0.03 0.00 0.00 54.58 53.43 1otr n ASN 37 Cb 0.54 -4.38 -0.13 0.00 -0.61 0.00 0.00 39.78 35.21 1otr n ASN 37 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1otr s ASP 38 N -4.17 4.13 -0.13 6.41 1.47 -0.47 -5.04 116.67 118.86 1otr s ASP 38 Ca 0.12 -0.19 -0.23 0.00 1.18 0.00 0.00 52.55 53.42 1otr s ASP 38 Cb -0.06 -1.07 -0.25 0.00 -0.34 0.00 0.00 42.92 41.20 1otr s ASP 38 CO 0.79 0.31 0.61 -0.07 0.68 0.00 0.00 175.17 177.49 1otr h LEU 39 N 5.63 0.15 -0.24 2.11 3.38 -1.94 -3.13 115.31 121.27 1otr h LEU 39 Ca -0.42 -0.84 0.05 0.00 0.09 0.00 0.00 57.88 56.75 1otr h LEU 39 Cb 1.17 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 1otr h LEU 39 CO 0.52 1.31 -0.07 -2.24 0.09 0.00 0.00 178.44 178.04 1otr h ASP 40 N -0.76 -0.27 0.27 -0.43 2.03 -1.97 0.15 116.42 115.45 1otr h ASP 40 Ca -0.17 0.08 -0.01 0.00 -0.73 0.00 0.00 57.03 56.20 1otr h ASP 40 Cb 1.33 0.17 0.00 0.00 -0.83 0.00 0.00 39.33 40.00 1otr h ASP 40 CO -0.01 -0.10 -0.13 0.25 -1.03 0.00 0.00 179.24 178.22 1otr h LEU 41 N -0.02 -0.31 0.38 0.15 5.85 -1.96 -0.73 115.31 118.67 1otr h LEU 41 Ca 0.12 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1otr h LEU 41 Cb 0.20 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1otr h LEU 41 CO -0.26 0.11 -0.33 0.74 -0.34 0.00 0.00 178.44 178.36 1otr h THR 42 N -0.78 0.00 -0.96 1.05 2.02 -1.50 -1.94 112.91 110.81 1otr h THR 42 Ca -0.04 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.28 1otr h THR 42 Cb 0.51 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.82 1otr h THR 42 CO 0.06 0.00 0.57 0.40 0.37 0.00 0.00 175.52 176.92 1otr h ILE 43 N -0.69 0.82 -0.63 3.11 2.04 -0.83 -0.69 117.51 120.65 1otr h ILE 43 Ca -0.05 -0.29 0.11 0.00 1.00 0.00 0.00 64.86 65.63 1otr h ILE 43 Cb 0.58 -0.09 -0.08 0.00 -0.74 0.00 0.00 36.82 36.49 1otr h ILE 43 CO -0.01 0.15 0.20 1.23 0.00 0.00 0.00 178.15 179.73 1otr h GLY 44 N 0.84 0.87 1.20 5.37 0.00 -0.80 -0.61 103.07 109.94 1otr h GLY 44 Ca 0.50 -0.09 -0.14 0.00 0.00 0.00 0.00 47.33 47.60 1otr h GLY 44 CO -0.31 -0.07 -0.30 -2.00 0.00 0.00 0.00 176.54 173.86 1otr h LEU 45 N 0.36 0.94 -1.41 3.11 7.12 -0.39 -3.05 115.31 121.98 1otr h LEU 45 Ca 0.33 -0.39 0.10 0.00 0.13 0.00 0.00 57.88 58.05 1otr h LEU 45 Cb 0.45 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 40.27 1otr h LEU 45 CO -0.36 1.16 0.50 -0.07 -0.13 0.00 0.00 178.44 179.54 1otr h LEU 46 N 0.75 0.59 -0.64 2.25 -0.00 0.13 -2.44 115.31 115.96 1otr h LEU 46 Ca 0.08 0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.11 1otr h LEU 46 Cb 0.87 -0.11 -0.12 0.00 -0.00 0.00 0.00 40.66 41.30 1otr h LEU 46 CO 0.08 0.35 -0.16 -0.07 -0.00 0.00 0.00 178.44 178.63 1otr h LEU 47 N 0.65 -0.60 -1.43 1.67 3.38 -1.14 0.37 115.31 118.22 1otr h LEU 47 Ca 0.35 0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.46 1otr h LEU 47 Cb 0.50 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1otr h LEU 47 CO -0.13 -0.21 -0.26 0.11 0.09 0.00 0.00 178.44 178.04 1otr h LYS 48 N -0.00 0.00 -1.37 1.13 1.57 -1.60 -3.06 116.57 113.23 1otr h LYS 48 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1otr h LYS 48 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1otr h LYS 48 CO -0.66 0.26 0.00 0.39 -0.57 0.00 0.00 179.45 178.88 1otr n GLU 49 N -3.77 0.77 -2.71 3.15 -0.58 0.13 -3.35 120.64 114.28 1otr n GLU 49 Ca -0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.67 1otr n GLU 49 Cb 0.36 -1.12 0.06 0.00 -0.57 0.00 0.00 31.44 30.18 1otr n GLU 49 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1otr n ASN 50 N 0.79 0.55 0.00 1.62 4.13 -1.16 -4.90 115.26 116.29 1otr n ASN 50 Ca 0.00 -2.45 0.00 0.00 1.68 0.00 0.00 54.58 53.81 1otr n ASN 50 Cb 0.38 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 1otr n ASN 50 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1otr n ASP 51 N -0.43 0.00 0.00 6.41 -0.08 -1.21 -5.12 116.55 116.12 1otr n ASP 51 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1otr n ASP 51 Cb 0.83 0.13 0.00 0.00 2.34 0.00 0.00 41.12 44.42 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 -1.66 0.00 -0.12 1.67 2.03 -1.25 -2.35 116.55 114.87 1otr n ASP 52 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1otr n ASP 52 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1otr n ASP 52 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1otr h LYS 53 N 0.00 0.54 0.00 -0.67 1.57 -2.01 -3.52 116.57 112.48 1otr h LYS 53 Ca 0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1otr h LYS 53 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1otr h LYS 53 CO 0.00 0.53 0.00 0.45 -0.57 0.00 0.00 179.45 179.86