#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxd s LEU 5 N 0.00 4.37 0.54 1.08 1.43 -1.26 -5.09 118.68 119.75 3fxd s LEU 5 Ca 0.00 0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 53.86 3fxd s LEU 5 Cb 0.00 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 3fxd s LEU 5 CO 0.00 0.19 0.86 -0.94 0.23 0.00 0.00 176.35 176.69 3fxd s SER 6 N -0.28 6.11 0.32 2.29 1.04 -1.26 -4.87 113.70 117.06 3fxd s SER 6 Ca 0.23 1.00 0.05 0.00 0.48 0.00 0.00 55.95 57.70 3fxd s SER 6 Cb -0.15 -2.19 0.67 0.00 0.10 0.00 0.00 66.02 64.45 3fxd s SER 6 CO 0.10 -0.75 1.86 0.44 0.98 0.00 0.00 173.24 175.88 3fxd h ASP 7 N 0.02 0.80 0.14 7.02 3.45 -1.99 0.73 116.42 126.59 3fxd h ASP 7 Ca -0.46 0.04 -0.11 0.00 0.43 0.00 0.00 57.03 56.93 3fxd h ASP 7 Cb 1.21 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.85 3fxd h ASP 7 CO 0.62 0.43 -0.38 1.05 -1.57 0.00 0.00 179.24 179.38 3fxd h GLU 8 N 0.86 0.33 -0.07 3.56 9.09 -1.99 -1.76 114.58 124.60 3fxd h GLU 8 Ca 0.46 -0.15 -0.21 0.00 0.05 0.00 0.00 59.36 59.51 3fxd h GLU 8 Cb 0.55 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 3fxd h GLU 8 CO -0.22 0.67 -0.82 1.96 0.05 0.00 0.00 179.01 180.65 3fxd h GLN 9 N 0.28 0.51 -0.60 1.06 4.20 -1.46 -2.43 115.11 116.66 3fxd h GLN 9 Ca 0.03 -0.45 -0.06 0.00 0.06 0.00 0.00 58.65 58.23 3fxd h GLN 9 Cb 0.80 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 3fxd h GLN 9 CO 0.06 1.09 0.15 0.87 -0.67 0.00 0.00 178.83 180.33 3fxd h LYS 10 N 0.33 0.95 -0.16 1.46 1.57 -0.73 -2.08 116.57 117.91 3fxd h LYS 10 Ca -0.05 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3fxd h LYS 10 Cb 1.42 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 3fxd h LYS 10 CO 0.15 0.87 0.08 1.49 -0.57 0.00 0.00 179.45 181.47 3fxd h GLU 11 N 0.86 0.23 -0.21 3.15 4.57 -1.30 -0.44 114.58 121.44 3fxd h GLU 11 Ca 0.19 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.35 3fxd h GLU 11 Cb 0.34 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3fxd h GLU 11 CO 0.00 0.25 0.09 1.15 -1.18 0.00 0.00 179.01 179.32 3fxd h THR 12 N 0.15 0.97 -0.43 0.32 2.02 -1.34 0.18 112.91 114.78 3fxd h THR 12 Ca 0.06 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3fxd h THR 12 Cb 0.09 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3fxd h THR 12 CO -0.01 0.04 0.22 0.40 0.37 0.00 0.00 175.52 176.54 3fxd h ILE 13 N 0.20 1.17 -0.87 3.11 2.04 -1.29 0.10 117.51 121.98 3fxd h ILE 13 Ca 0.09 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3fxd h ILE 13 Cb 0.04 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3fxd h ILE 13 CO -0.07 0.19 0.44 0.25 0.00 0.00 0.00 178.15 178.95 3fxd h LEU 14 N 0.56 1.12 -0.44 1.44 5.85 -0.76 -1.40 115.31 121.69 3fxd h LEU 14 Ca 0.15 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3fxd h LEU 14 Cb 0.09 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3fxd h LEU 14 CO -0.02 0.93 0.13 0.50 -0.34 0.00 0.00 178.44 179.63 3fxd h LYS 15 N 1.23 0.69 -0.63 1.25 3.11 -0.14 -1.09 116.57 120.99 3fxd h LYS 15 Ca 0.30 -0.15 0.01 0.00 -2.81 0.00 0.00 60.65 58.00 3fxd h LYS 15 Cb 0.09 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.19 3fxd h LYS 15 CO -0.04 0.68 0.41 0.00 -2.81 0.00 0.00 179.45 177.68 3fxd h ALA 16 N 0.98 0.80 -0.19 5.00 0.00 -0.33 0.81 119.26 126.33 3fxd h ALA 16 Ca 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3fxd h ALA 16 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3fxd h ALA 16 CO -0.00 0.19 0.05 -0.07 0.00 0.00 0.00 179.25 179.42 3fxd h LEU 17 N 0.82 0.28 -0.93 0.00 3.38 -1.08 -1.26 115.31 116.52 3fxd h LEU 17 Ca 0.24 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3fxd h LEU 17 Cb -0.06 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3fxd h LEU 17 CO -0.07 0.43 0.27 0.78 0.09 0.00 0.00 178.44 179.94 3fxd h ASN 18 N 0.12 0.97 -0.44 -0.43 2.35 -0.92 -1.53 115.58 115.70 3fxd h ASN 18 Ca 0.06 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.55 3fxd h ASN 18 Cb 0.26 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3fxd h ASN 18 CO -0.00 0.87 -0.14 0.44 -1.65 0.00 0.00 177.43 176.96 3fxd h ASP 19 N 1.03 0.93 -0.67 5.81 3.32 -0.71 -0.99 116.42 125.13 3fxd h ASP 19 Ca 0.24 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 3fxd h ASP 19 Cb 0.21 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3fxd h ASP 19 CO -0.02 1.06 0.22 0.00 -1.72 0.00 0.00 179.24 178.78 3fxd h ALA 20 N 1.02 0.87 -0.49 3.45 0.00 -0.87 -1.07 119.26 122.17 3fxd h ALA 20 Ca 0.13 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3fxd h ALA 20 Cb 0.68 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3fxd h ALA 20 CO 0.05 0.53 0.06 0.82 0.00 0.00 0.00 179.25 180.71 3fxd h ILE 21 N 0.96 1.25 -0.34 0.00 2.04 -1.11 -0.77 117.51 119.54 3fxd h ILE 21 Ca 0.22 -0.96 -0.12 0.00 1.00 0.00 0.00 64.86 65.00 3fxd h ILE 21 Cb 0.28 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3fxd h ILE 21 CO -0.01 0.34 -0.26 -0.08 0.00 0.00 0.00 178.15 178.14 3fxd h GLU 22 N 0.69 0.78 0.00 2.37 4.81 -0.94 -3.31 114.58 118.98 3fxd h GLU 22 Ca 0.15 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3fxd h GLU 22 Cb 0.42 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3fxd h GLU 22 CO 0.01 1.01 -0.93 0.36 -0.73 0.00 0.00 179.01 178.73 3fxd n LYS 23 N -4.23 0.23 -1.17 1.92 2.85 -0.42 -4.97 118.16 112.36 3fxd n LYS 23 Ca -0.03 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.91 3fxd n LYS 23 Cb 0.46 -1.58 0.11 0.00 -0.65 0.00 0.00 35.03 33.37 3fxd n LYS 23 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3fxd s GLY 24 N -3.51 1.91 -0.25 2.58 0.00 -0.30 -4.91 107.32 102.84 3fxd s GLY 24 Ca 0.05 0.57 -0.01 0.00 0.00 0.00 0.00 44.72 45.33 3fxd s GLY 24 CO 0.79 0.96 2.05 -1.55 0.00 0.00 0.00 173.10 175.35 3fxd n PRO 25 N -3.42 1.65 0.00 2.90 -0.04 -1.26 -4.62 135.00 130.21 3fxd n PRO 25 Ca 0.11 -1.24 0.05 0.00 -0.04 0.00 0.00 63.50 62.38 3fxd n PRO 25 Cb 0.52 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.77 3fxd n PRO 25 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3fxd n TRP 26 N 0.64 0.00 -0.42 0.54 5.03 -1.26 -1.66 117.44 120.30 3fxd n TRP 26 Ca 0.24 0.00 0.02 0.00 3.03 0.00 0.00 57.50 60.79 3fxd n TRP 26 Cb 0.56 -0.02 0.03 0.00 -1.03 0.00 0.00 31.31 30.85 3fxd n TRP 26 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 3fxd n ASP 27 N -1.02 1.79 0.05 -0.99 8.00 -1.26 -3.06 116.55 120.06 3fxd n ASP 27 Ca 0.07 -2.14 0.12 0.00 0.71 0.00 0.00 54.79 53.56 3fxd n ASP 27 Cb 0.04 -0.10 0.27 0.00 -0.02 0.00 0.00 41.12 41.30 3fxd n ASP 27 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3fxd n LYS 28 N -0.64 0.22 -3.58 -1.24 4.76 -0.66 -4.96 118.16 112.05 3fxd n LYS 28 Ca 0.04 0.09 -0.06 0.00 -2.87 0.00 0.00 58.31 55.50 3fxd n LYS 28 Cb 0.38 -1.66 -0.02 0.00 -1.84 0.00 0.00 35.03 31.89 3fxd n LYS 28 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3fxd s SER 29 N -3.99 -0.28 0.34 4.39 1.04 -1.26 -5.00 113.70 108.94 3fxd s SER 29 Ca 0.08 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.43 3fxd s SER 29 Cb 0.14 0.38 0.61 0.00 0.10 0.00 0.00 66.02 67.25 3fxd s SER 29 CO 0.68 -0.64 1.96 0.78 0.98 0.00 0.00 173.24 177.00 3fxd h ASN 30 N 2.00 0.67 -0.01 7.02 2.35 -1.94 -0.57 115.58 125.10 3fxd h ASN 30 Ca -0.22 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3fxd h ASN 30 Cb 1.23 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 3fxd h ASN 30 CO 0.29 0.56 -0.01 0.15 -1.65 0.00 0.00 177.43 176.77 3fxd h PHE 31 N 0.75 0.02 0.00 1.19 3.57 -1.97 -2.46 116.94 118.05 3fxd h PHE 31 Ca 0.19 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3fxd h PHE 31 Cb 0.05 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 3fxd h PHE 31 CO 0.01 0.46 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.39 3fxd h LEU 32 N -0.43 0.00 -0.41 0.59 3.38 -1.83 -0.22 115.31 116.41 3fxd h LEU 32 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3fxd h LEU 32 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3fxd h LEU 32 CO 0.00 0.09 -0.15 -0.09 0.09 0.00 0.00 178.44 178.38 3fxd h ARG 33 N 0.00 0.82 -0.32 1.13 9.65 -0.98 0.18 114.38 124.86 3fxd h ARG 33 Ca -0.00 -0.34 -0.00 0.00 -1.10 0.00 0.00 59.98 58.54 3fxd h ARG 33 Cb 0.27 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 3fxd h ARG 33 CO 0.01 0.97 0.19 0.28 2.80 0.00 0.00 179.97 184.22 3fxd h VAL 34 N 0.64 1.12 -0.67 0.20 2.07 -0.58 -1.03 116.25 118.00 3fxd h VAL 34 Ca 0.10 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3fxd h VAL 34 Cb 0.70 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3fxd h VAL 34 CO 0.05 0.12 0.38 0.40 0.02 0.00 0.00 177.57 178.54 3fxd h ILE 35 N 0.41 1.21 -0.45 4.57 1.08 -1.10 -2.29 117.51 120.94 3fxd h ILE 35 Ca 0.11 -0.51 0.06 0.00 -0.39 0.00 0.00 64.86 64.14 3fxd h ILE 35 Cb 0.03 0.32 -0.05 0.00 -3.07 0.00 0.00 36.82 34.04 3fxd h ILE 35 CO -0.02 0.22 0.15 1.23 -0.69 0.00 0.00 178.15 179.05 3fxd h GLY 36 N 0.92 0.58 1.51 5.37 0.00 -0.18 -0.50 103.07 110.76 3fxd h GLY 36 Ca 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 3fxd h GLY 36 CO -0.04 0.02 0.09 0.50 0.00 0.00 0.00 176.54 177.11 3fxd h LYS 37 N 0.32 0.62 -0.56 4.80 6.56 -0.92 -0.67 116.57 126.73 3fxd h LYS 37 Ca 0.21 -0.11 -0.10 0.00 -1.06 0.00 0.00 60.65 59.59 3fxd h LYS 37 Cb 0.21 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 3fxd h LYS 37 CO -0.22 0.58 -0.05 -0.22 -2.06 0.00 0.00 179.45 177.48 3fxd h LYS 38 N 0.61 1.01 -0.61 3.15 1.63 -0.71 -0.76 116.57 120.89 3fxd h LYS 38 Ca 0.14 -0.34 -0.06 0.00 -0.85 0.00 0.00 60.65 59.54 3fxd h LYS 38 Cb 0.25 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 3fxd h LYS 38 CO -0.00 1.02 0.14 1.25 -3.45 0.00 0.00 179.45 178.41 3fxd h LEU 39 N 0.91 0.92 -0.64 5.20 5.85 -0.49 -1.49 115.31 125.57 3fxd h LEU 39 Ca 0.16 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3fxd h LEU 39 Cb 0.60 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3fxd h LEU 39 CO 0.04 0.92 0.28 0.40 -0.34 0.00 0.00 178.44 179.74 3fxd h ILE 40 N 0.89 1.23 -0.71 4.05 2.04 -0.86 -1.01 117.51 123.14 3fxd h ILE 40 Ca 0.19 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3fxd h ILE 40 Cb 0.36 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3fxd h ILE 40 CO 0.00 0.28 0.36 0.00 0.00 0.00 0.00 178.15 178.79 3fxd h ALA 41 N 1.12 1.31 -0.46 1.87 0.00 -0.87 -0.16 119.26 122.07 3fxd h ALA 41 Ca 0.22 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3fxd h ALA 41 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3fxd h ALA 41 CO -0.02 0.55 0.10 0.82 0.00 0.00 0.00 179.25 180.70 3fxd h ILE 42 N 0.99 1.24 -0.38 0.00 2.04 -0.66 -1.10 117.51 119.64 3fxd h ILE 42 Ca 0.25 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3fxd h ILE 42 Cb 0.06 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3fxd h ILE 42 CO -0.04 0.30 0.19 -0.09 0.00 0.00 0.00 178.15 178.51 3fxd h ARG 43 N 0.62 0.54 -0.76 2.37 1.12 -0.57 -2.37 114.38 115.32 3fxd h ARG 43 Ca 0.14 -0.08 -0.02 0.00 -1.11 0.00 0.00 59.98 58.91 3fxd h ARG 43 Cb 0.33 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.16 3fxd h ARG 43 CO 0.00 0.47 0.39 -0.44 -3.11 0.00 0.00 179.97 177.28 3fxd h ASP 44 N 0.48 0.97 -0.73 -3.80 3.45 -0.91 -1.48 116.42 114.40 3fxd h ASP 44 Ca 0.13 -0.10 -0.05 0.00 0.43 0.00 0.00 57.03 57.45 3fxd h ASP 44 Cb 0.11 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.60 3fxd h ASP 44 CO -0.02 0.80 0.27 -0.09 -1.57 0.00 0.00 179.24 178.63 3fxd h ARG 45 N 1.08 1.11 -0.58 3.56 2.43 -0.92 -2.20 114.38 118.85 3fxd h ARG 45 Ca 0.27 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3fxd h ARG 45 Cb 0.07 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3fxd h ARG 45 CO -0.04 0.92 0.10 0.35 -1.51 0.00 0.00 179.97 179.80 3fxd h PHE 46 N 1.06 0.96 -0.48 2.20 3.57 -0.91 -1.13 116.94 122.22 3fxd h PHE 46 Ca 0.24 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3fxd h PHE 46 Cb 0.25 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3fxd h PHE 46 CO 0.02 0.82 0.31 -0.07 -2.23 0.00 0.00 178.31 177.16 3fxd h LEU 47 N 0.88 0.55 -0.70 0.59 3.38 -0.88 -1.77 115.31 117.35 3fxd h LEU 47 Ca 0.18 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3fxd h LEU 47 Cb 0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3fxd h LEU 47 CO 0.01 0.40 0.25 0.11 0.09 0.00 0.00 178.44 179.30 3fxd h LYS 48 N 0.64 1.06 -0.91 1.13 1.57 -1.02 0.44 116.57 119.49 3fxd h LYS 48 Ca 0.17 -0.21 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3fxd h LYS 48 Cb -0.07 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.01 3fxd h LYS 48 CO -0.04 0.90 0.56 0.00 -0.57 0.00 0.00 179.45 180.30 3fxd h ARG 49 N 1.01 0.96 -0.08 3.15 2.47 -0.78 0.12 114.38 121.22 3fxd h ARG 49 Ca 0.23 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 3fxd h ARG 49 Cb 0.25 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3fxd h ARG 49 CO -0.01 0.63 0.00 0.44 0.56 0.00 0.00 179.97 181.59 3fxd n ILE 50 N -4.62 0.10 0.00 2.04 -5.35 -0.71 -4.88 119.36 105.95 3fxd n ILE 50 Ca 0.14 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3fxd n ILE 50 Cb 0.23 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 3fxd n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fxd n GLY 51 N 0.74 0.96 0.34 3.28 0.00 0.40 -4.99 105.19 105.93 3fxd n GLY 51 Ca 0.08 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.28 3fxd n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxd h ALA 52 N 0.00 1.41 0.00 4.61 0.00 -1.01 -3.48 119.26 120.80 3fxd h ALA 52 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fxd h ALA 52 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fxd h ALA 52 CO 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.01