#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otr s ASP 7 N 0.00 6.35 -0.09 0.53 1.11 -1.26 -4.87 116.67 118.44 1otr s ASP 7 Ca 0.00 2.98 0.03 0.00 0.18 0.00 0.00 52.55 55.74 1otr s ASP 7 Cb 0.00 -2.64 0.10 0.00 1.07 0.00 0.00 42.92 41.46 1otr s ASP 7 CO 0.00 -0.93 0.86 -0.90 1.18 0.00 0.00 175.17 175.38 1otr n ASP 8 N 2.11 -0.77 0.20 0.27 5.75 -1.26 -4.95 116.55 117.90 1otr n ASP 8 Ca 0.08 -1.50 0.09 0.00 -0.01 0.00 0.00 54.79 53.45 1otr n ASP 8 Cb 0.37 0.30 0.32 0.00 -1.03 0.00 0.00 41.12 41.08 1otr n ASP 8 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1otr h HIS 9 N 0.25 0.00 -0.99 2.11 2.07 -1.99 -3.16 115.15 113.43 1otr h HIS 9 Ca -0.34 0.00 0.24 0.00 -2.85 0.00 0.00 60.37 57.42 1otr h HIS 9 Cb 1.14 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.03 1otr h HIS 9 CO -0.13 0.25 0.65 1.05 -3.07 0.00 0.00 177.93 176.68 1otr h GLU 10 N 0.00 0.41 -0.02 5.12 4.11 -1.98 0.33 114.58 122.54 1otr h GLU 10 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1otr h GLU 10 Cb 0.93 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1otr h GLU 10 CO 0.03 0.27 0.01 0.77 0.07 0.00 0.00 179.01 180.16 1otr h SER 11 N 0.42 0.01 -0.81 3.06 0.02 -1.98 0.32 113.55 114.59 1otr h SER 11 Ca 0.55 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.58 1otr h SER 11 Cb 1.36 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.83 1otr h SER 11 CO -0.25 0.01 0.47 0.11 -1.14 0.00 0.00 176.83 176.03 1otr h LYS 12 N 0.02 0.81 -0.58 3.45 1.79 -0.63 0.15 116.57 121.58 1otr h LYS 12 Ca 0.01 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1otr h LYS 12 Cb 0.00 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.44 1otr h LYS 12 CO -0.01 0.54 0.34 1.25 -1.08 0.00 0.00 179.45 180.48 1otr h LEU 13 N 0.83 0.69 -0.17 2.94 5.85 -0.05 -1.79 115.31 123.60 1otr h LEU 13 Ca 0.37 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.07 1otr h LEU 13 Cb 0.26 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1otr h LEU 13 CO -0.21 0.54 0.07 -1.28 -0.34 0.00 0.00 178.44 177.22 1otr h SER 14 N 0.79 0.09 -0.95 1.25 0.87 0.25 0.65 113.55 116.49 1otr h SER 14 Ca 0.21 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 1otr h SER 14 Cb -0.02 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.88 1otr h SER 14 CO -0.04 0.08 0.61 0.40 -0.53 0.00 0.00 176.83 177.35 1otr h ILE 15 N 0.16 1.09 -0.43 2.23 5.03 -0.72 -1.83 117.51 123.04 1otr h ILE 15 Ca 0.07 -0.39 0.00 0.00 -0.12 0.00 0.00 64.86 64.43 1otr h ILE 15 Cb 0.03 -0.13 -0.02 0.00 -3.03 0.00 0.00 36.82 33.67 1otr h ILE 15 CO -0.06 0.21 0.27 -0.07 -0.68 0.00 0.00 178.15 177.81 1otr h LEU 16 N 1.13 0.51 -0.08 1.44 3.38 -0.46 0.79 115.31 122.00 1otr h LEU 16 Ca 0.41 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.37 1otr h LEU 16 Cb 0.14 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1otr h LEU 16 CO -0.16 0.39 -0.12 0.24 0.09 0.00 0.00 178.44 178.88 1otr h MET 17 N 0.57 -0.15 -0.01 1.13 2.86 -0.11 -0.60 114.93 118.62 1otr h MET 17 Ca 0.16 0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.68 1otr h MET 17 Cb -0.03 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1otr h MET 17 CO -0.03 -0.10 -0.59 -0.44 1.06 0.00 0.00 176.91 176.81 1otr h ASP 18 N -0.16 0.05 -0.41 1.22 3.32 -1.23 -3.19 116.42 116.03 1otr h ASP 18 Ca 0.07 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1otr h ASP 18 Cb 0.26 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1otr h ASP 18 CO -0.18 0.62 0.25 -0.03 -1.72 0.00 0.00 179.24 178.18 1otr h MET 19 N 0.03 0.55 -4.73 3.56 4.05 0.14 -3.38 114.93 115.14 1otr h MET 19 Ca -0.01 -0.05 -0.68 0.00 -0.28 0.00 0.00 59.70 58.69 1otr h MET 19 Cb 1.05 -0.12 -0.36 0.00 -0.80 0.00 0.00 31.60 31.37 1otr h MET 19 CO 0.08 0.40 -0.71 -0.06 0.23 0.00 0.00 176.91 176.86 1otr s PHE 20 N -6.02 3.42 -0.03 1.39 0.40 -0.30 -5.00 117.98 111.83 1otr s PHE 20 Ca -0.13 -2.30 -0.06 0.00 -0.60 0.00 0.00 56.93 53.84 1otr s PHE 20 Cb 0.11 -2.40 -0.26 0.00 0.51 0.00 0.00 43.02 40.97 1otr s PHE 20 CO 0.73 -0.88 3.60 -0.35 0.70 0.00 0.00 175.22 179.02 1otr n PRO 21 N 4.49 2.03 0.00 0.24 -0.04 -1.26 -3.65 135.00 136.81 1otr n PRO 21 Ca -0.08 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1otr n PRO 21 Cb 0.42 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 2.47 0.00 -1.83 0.55 0.00 -1.26 -5.12 120.51 115.32 1otr n ALA 22 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 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 0.42 0.00 0.00 0.00 177.50 177.92 1otr s ILE 23 N -1.50 2.35 0.36 0.00 1.01 -1.24 -4.94 121.20 117.24 1otr s ILE 23 Ca 0.00 0.27 -0.28 0.00 0.00 0.00 0.00 60.65 60.63 1otr s ILE 23 Cb 0.00 -3.17 -0.11 0.00 0.01 0.00 0.00 42.46 39.19 1otr s ILE 23 CO 0.00 0.03 1.41 -0.55 0.00 0.00 0.00 174.94 175.83 1otr s SER 24 N 0.82 6.52 0.27 3.58 0.15 -1.26 -4.90 113.70 118.88 1otr s SER 24 Ca 0.67 2.90 -0.01 0.00 0.70 0.00 0.00 55.95 60.21 1otr s SER 24 Cb -0.46 -2.66 0.46 0.00 -1.71 0.00 0.00 66.02 61.65 1otr s SER 24 CO 0.38 -0.74 1.87 0.07 1.20 0.00 0.00 173.24 176.02 1otr h LYS 25 N 3.15 1.08 -0.45 5.44 2.10 -1.97 -1.98 116.57 123.95 1otr h LYS 25 Ca -0.50 -0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.11 1otr h LYS 25 Cb 1.23 -0.24 -0.03 0.00 -0.90 0.00 0.00 32.23 32.29 1otr h LYS 25 CO 0.65 0.72 0.26 1.03 -2.00 0.00 0.00 179.45 180.10 1otr h SER 26 N 1.12 0.42 -0.17 7.07 0.87 -1.99 -1.04 113.55 119.82 1otr h SER 26 Ca 0.46 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 61.03 1otr h SER 26 Cb 0.28 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1otr h SER 26 CO -0.21 0.30 0.08 0.50 -0.53 0.00 0.00 176.83 176.97 1otr h LYS 27 N 0.53 0.17 -0.88 2.24 3.64 -1.75 -1.47 116.57 119.05 1otr h LYS 27 Ca 0.18 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1otr h LYS 27 Cb 0.03 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1otr h LYS 27 CO -0.09 0.11 0.54 -0.07 -2.27 0.00 0.00 179.45 177.68 1otr h LEU 28 N 0.18 0.85 -0.67 5.20 3.38 -1.11 -1.58 115.31 121.56 1otr h LEU 28 Ca 0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1otr h LEU 28 Cb 0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1otr h LEU 28 CO -0.05 0.53 0.38 -0.61 0.09 0.00 0.00 178.44 178.78 1otr h GLN 29 N 0.98 0.93 -0.31 1.13 4.15 -0.68 -1.53 115.11 119.79 1otr h GLN 29 Ca 0.39 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.73 1otr h GLN 29 Cb 0.20 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1otr h GLN 29 CO -0.18 0.69 0.13 0.28 -1.93 0.00 0.00 178.83 177.82 1otr h VAL 30 N 0.92 0.95 -0.93 2.39 2.07 -0.33 -0.90 116.25 120.42 1otr h VAL 30 Ca 0.24 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1otr h VAL 30 Cb 0.03 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1otr h VAL 30 CO -0.04 0.05 0.54 0.45 0.02 0.00 0.00 177.57 178.59 1otr h HIS 31 N 0.28 1.25 -0.59 1.57 3.86 -1.10 -1.74 115.15 118.67 1otr h HIS 31 Ca 0.13 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1otr h HIS 31 Cb 0.07 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.11 1otr h HIS 31 CO -0.12 0.84 0.27 1.25 0.86 0.00 0.00 177.93 181.03 1otr h LEU 32 N 1.29 0.79 -0.18 2.43 5.85 -0.68 -1.38 115.31 123.42 1otr h LEU 32 Ca 0.33 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1otr h LEU 32 Cb -0.02 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1otr h LEU 32 CO -0.06 0.71 0.03 -0.07 -0.34 0.00 0.00 178.44 178.71 1otr h LEU 33 N 0.81 0.29 0.08 2.25 3.38 -0.83 -2.65 115.31 118.65 1otr h LEU 33 Ca 0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1otr h LEU 33 Cb 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1otr h LEU 33 CO -0.02 0.48 -0.04 -0.33 0.09 0.00 0.00 178.44 178.61 1otr h GLU 34 N 0.10 -0.11 -1.17 1.13 4.39 -1.23 -2.41 114.58 115.28 1otr h GLU 34 Ca 0.06 0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 1otr h GLU 34 Cb 0.31 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.91 1otr h GLU 34 CO 0.00 -0.04 0.18 0.09 -1.16 0.00 0.00 179.01 178.08 1otr n ASN 35 N -5.12 3.81 0.00 1.42 3.02 -0.53 -4.90 115.26 112.95 1otr n ASN 35 Ca -0.08 -2.49 0.00 0.00 -0.03 0.00 0.00 54.58 51.98 1otr n ASN 35 Cb 0.09 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 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 0.26 0.00 -0.88 6.41 5.03 -0.91 -1.92 115.26 123.25 1otr n ASN 36 Ca 0.16 0.00 -0.00 0.00 0.87 0.00 0.00 54.58 55.60 1otr n ASN 36 Cb 0.74 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.50 1otr n ASN 36 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1otr n ASN 37 N 1.17 -0.05 -4.71 6.41 5.15 -1.08 -4.35 115.26 117.79 1otr n ASN 37 Ca 0.00 -0.42 -0.40 0.00 -0.60 0.00 0.00 54.58 53.16 1otr n ASN 37 Cb 0.00 0.02 -0.04 0.00 -0.53 0.00 0.00 39.78 39.23 1otr n ASN 37 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1otr s ASP 38 N -0.05 7.03 -0.15 1.20 2.15 -0.81 -4.97 116.67 121.07 1otr s ASP 38 Ca 0.00 1.24 -0.15 0.00 0.43 0.00 0.00 52.55 54.07 1otr s ASP 38 Cb 0.01 -2.43 -0.24 0.00 -0.30 0.00 0.00 42.92 39.96 1otr s ASP 38 CO -0.00 -0.15 0.36 -0.07 -0.17 0.00 0.00 175.17 175.14 1otr h LEU 39 N 6.85 0.23 -0.25 -1.34 3.38 -1.99 -3.26 115.31 118.94 1otr h LEU 39 Ca -0.40 -0.75 0.02 0.00 0.09 0.00 0.00 57.88 56.83 1otr h LEU 39 Cb 1.20 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1otr h LEU 39 CO 0.76 1.64 0.12 -0.78 0.09 0.00 0.00 178.44 180.26 1otr h ASP 40 N -0.47 0.17 0.51 -0.43 1.82 -1.97 0.11 116.42 116.16 1otr h ASP 40 Ca -0.36 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.27 1otr h ASP 40 Cb 1.65 -0.02 0.01 0.00 0.68 0.00 0.00 39.33 41.65 1otr h ASP 40 CO -0.04 0.13 -0.25 0.25 -1.61 0.00 0.00 179.24 177.72 1otr h LEU 41 N 0.25 -0.58 0.55 2.28 6.46 -1.98 0.28 115.31 122.57 1otr h LEU 41 Ca 0.11 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1otr h LEU 41 Cb 0.04 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1otr h LEU 41 CO -0.08 -0.24 -0.48 0.74 -0.62 0.00 0.00 178.44 177.76 1otr h THR 42 N -0.97 0.00 -0.93 1.05 2.02 -1.59 -2.08 112.91 110.41 1otr h THR 42 Ca -0.07 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1otr h THR 42 Cb 0.61 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 1otr h THR 42 CO 0.12 0.00 0.61 0.40 0.37 0.00 0.00 175.52 177.02 1otr h ILE 43 N -1.01 1.17 -0.45 3.11 2.04 -0.88 -1.88 117.51 119.61 1otr h ILE 43 Ca -0.07 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.47 1otr h ILE 43 Cb 0.86 -0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 1otr h ILE 43 CO -0.02 0.21 -0.02 1.23 0.00 0.00 0.00 178.15 179.56 1otr h GLY 44 N 1.18 0.43 1.08 5.37 0.00 -0.10 -0.23 103.07 110.80 1otr h GLY 44 Ca 0.37 0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.63 1otr h GLY 44 CO -0.11 -0.13 -0.29 -2.00 0.00 0.00 0.00 176.54 174.02 1otr h LEU 45 N 0.09 0.95 -1.31 3.11 6.46 -1.02 -3.04 115.31 120.55 1otr h LEU 45 Ca 0.22 -0.44 0.10 0.00 -0.12 0.00 0.00 57.88 57.65 1otr h LEU 45 Cb 0.33 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 39.94 1otr h LEU 45 CO -0.38 1.18 0.54 -0.07 -0.62 0.00 0.00 178.44 179.08 1otr h LEU 46 N 0.72 0.69 -0.78 2.25 3.38 -0.52 -1.07 115.31 119.98 1otr h LEU 46 Ca 0.08 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.20 1otr h LEU 46 Cb 0.87 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 1otr h LEU 46 CO 0.08 0.40 0.36 -0.07 0.09 0.00 0.00 178.44 179.30 1otr h LEU 47 N 0.76 0.41 -3.19 1.67 3.38 -0.95 0.23 115.31 117.61 1otr h LEU 47 Ca 0.38 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.38 1otr h LEU 47 Cb 0.47 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1otr h LEU 47 CO -0.15 0.18 0.02 0.29 0.09 0.00 0.00 178.44 178.86 1otr n LYS 48 N -4.93 1.23 -0.19 1.13 4.76 -0.40 -4.46 118.16 115.30 1otr n LYS 48 Ca 0.15 -0.34 0.07 0.00 -2.87 0.00 0.00 58.31 55.32 1otr n LYS 48 Cb 0.39 -1.20 0.36 0.00 -1.84 0.00 0.00 35.03 32.74 1otr n LYS 48 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1otr h GLU 49 N 1.30 0.72 0.00 1.97 4.57 -1.05 -3.43 114.58 118.66 1otr h GLU 49 Ca 0.06 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1otr h GLU 49 Cb 1.04 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1otr h GLU 49 CO 0.13 0.48 0.00 -1.71 -1.18 0.00 0.00 179.01 176.73 1otr n ASN 50 N -4.49 -0.14 0.00 1.04 5.15 -1.26 -5.13 115.26 110.43 1otr n ASN 50 Ca 0.11 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 1otr n ASN 50 Cb 0.25 0.51 0.00 0.00 -0.53 0.00 0.00 39.78 40.02 1otr n ASN 50 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1otr n ASP 51 N -2.43 0.00 -1.23 1.20 9.92 -1.26 -4.99 116.55 117.75 1otr n ASP 51 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1otr n ASP 51 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1otr n ASP 51 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1otr n ASP 52 N 2.95 -6.88 -4.72 -2.24 9.92 -1.26 -4.84 116.55 109.47 1otr n ASP 52 Ca 0.00 0.94 -0.42 0.00 -0.53 0.00 0.00 54.79 54.78 1otr n ASP 52 Cb 0.00 -3.31 -0.03 0.00 -0.64 0.00 0.00 41.12 37.14 1otr n ASP 52 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1otr s LYS 53 N -3.78 4.21 0.00 -1.24 3.01 -1.26 -5.27 119.74 115.41 1otr s LYS 53 Ca 0.00 2.39 0.10 0.00 -1.01 0.00 0.00 55.97 57.44 1otr s LYS 53 Cb 0.00 -3.13 0.58 0.00 -1.01 0.00 0.00 37.83 34.27 1otr s LYS 53 CO 0.00 -0.59 1.03 -1.13 0.51 0.00 0.00 175.35 175.17