#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f4i n GLU 2 N 0.00 -0.25 0.32 -1.09 4.07 -1.26 -4.82 120.64 117.61 1f4i n GLU 2 Ca 0.00 -0.16 0.16 0.00 -0.06 0.00 0.00 57.16 57.11 1f4i n GLU 2 Cb 0.00 -0.64 0.85 0.00 -0.06 0.00 0.00 31.44 31.59 1f4i n GLU 2 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 1f4i h LYS 3 N 0.00 0.00 -0.19 5.31 2.10 -2.05 -1.15 116.57 120.59 1f4i h LYS 3 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1f4i h LYS 3 Cb 0.37 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.70 1f4i h LYS 3 CO 0.00 0.00 -0.07 0.93 -2.00 0.00 0.00 179.45 178.31 1f4i h GLU 4 N 0.00 0.38 0.00 0.07 4.39 -2.02 -2.52 114.58 114.88 1f4i h GLU 4 Ca 0.01 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1f4i h GLU 4 Cb 0.64 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1f4i h GLU 4 CO -0.00 0.66 0.00 0.00 -1.16 0.00 0.00 179.01 178.51 1f4i h ALA 5 N 0.71 1.00 -0.09 3.43 0.00 -1.59 -3.19 119.26 119.53 1f4i h ALA 5 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1f4i h ALA 5 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1f4i h ALA 5 CO 0.02 0.00 -0.60 0.82 0.00 0.00 0.00 179.25 179.50 1f4i h ILE 6 N 0.00 1.37 0.00 0.00 2.04 -1.30 0.18 117.51 119.81 1f4i h ILE 6 Ca 0.00 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.91 1f4i h ILE 6 Cb 0.46 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1f4i h ILE 6 CO 0.00 0.58 0.00 1.05 0.00 0.00 0.00 178.15 179.78 1f4i h GLU 7 N 0.22 0.00 0.00 2.37 4.11 -1.54 -1.76 114.58 117.99 1f4i h GLU 7 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1f4i h GLU 7 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1f4i h GLU 7 CO 0.10 0.00 -0.25 -0.09 0.07 0.00 0.00 179.01 178.84 1f4i h ARG 8 N 0.00 0.00 -0.37 1.06 2.43 -1.34 -1.48 114.38 114.69 1f4i h ARG 8 Ca 0.00 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1f4i h ARG 8 Cb 0.83 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 1f4i h ARG 8 CO 0.00 0.58 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.90 1f4i h LEU 9 N -1.00 -0.30 -1.28 3.80 3.38 -0.80 -0.32 115.31 118.79 1f4i h LEU 9 Ca -0.05 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1f4i h LEU 9 Cb 0.68 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1f4i h LEU 9 CO -0.03 -0.11 -0.03 0.11 0.09 0.00 0.00 178.44 178.47 1f4i h LYS 10 N 0.02 0.45 0.00 1.13 1.57 -1.45 -2.82 116.57 115.47 1f4i h LYS 10 Ca 0.18 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1f4i h LYS 10 Cb 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1f4i h LYS 10 CO -0.36 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.02 1f4i h ALA 11 N 1.55 1.00 0.00 3.86 0.00 0.06 -0.47 119.26 125.25 1f4i h ALA 11 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1f4i h ALA 11 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1f4i h ALA 11 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1f4i n LEU 12 N -2.92 0.00 0.00 0.00 4.32 -0.95 -4.82 117.00 112.63 1f4i n LEU 12 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1f4i n LEU 12 Cb 0.20 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1f4i n LEU 12 CO 0.23 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.01 1f4i n GLY 13 N 0.57 1.57 0.00 -0.72 0.00 -0.26 -5.10 105.19 101.26 1f4i n GLY 13 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1f4i n GLY 13 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1f4i n PHE 14 N -1.56 0.00 -3.61 1.61 3.72 -0.75 -5.08 117.46 111.78 1f4i n PHE 14 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1f4i n PHE 14 Cb 0.04 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.52 1f4i n PHE 14 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1f4i s GLU 15 N 4.11 0.78 0.61 -1.08 2.12 -1.26 -4.84 118.70 119.14 1f4i s GLU 15 Ca 0.00 0.77 0.27 0.00 0.36 0.00 0.00 54.97 56.36 1f4i s GLU 15 Cb 0.00 0.38 1.16 0.00 0.26 0.00 0.00 34.13 35.93 1f4i s GLU 15 CO 0.00 -0.13 1.57 1.49 -0.54 0.00 0.00 175.26 177.65 1f4i h GLU 16 N 4.42 0.00 0.00 4.30 4.57 -1.96 0.65 114.58 126.57 1f4i h GLU 16 Ca -0.28 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.81 1f4i h GLU 16 Cb 1.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1f4i h GLU 16 CO 0.12 0.00 -0.51 0.77 -1.18 0.00 0.00 179.01 178.21 1f4i h SER 17 N 0.00 0.00 0.57 1.04 0.02 -1.98 -1.45 113.55 111.75 1f4i h SER 17 Ca 0.34 -0.77 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1f4i h SER 17 Cb 2.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.60 1f4i h SER 17 CO -0.00 1.18 -0.02 0.17 -1.14 0.00 0.00 176.83 177.02 1f4i h LEU 18 N -1.00 0.00 0.26 5.07 -0.00 -1.53 -2.19 115.31 115.91 1f4i h LEU 18 Ca -0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.73 1f4i h LEU 18 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 1f4i h LEU 18 CO -0.08 0.02 -0.12 0.58 -0.00 0.00 0.00 178.44 178.83 1f4i h VAL 19 N 0.00 0.00 -0.36 0.15 2.07 -1.03 -1.42 116.25 115.66 1f4i h VAL 19 Ca -0.00 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1f4i h VAL 19 Cb 0.31 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1f4i h VAL 19 CO 0.00 0.00 0.22 0.40 0.02 0.00 0.00 177.57 178.21 1f4i h ILE 20 N -1.07 1.05 0.00 4.57 1.08 -1.21 0.25 117.51 122.18 1f4i h ILE 20 Ca -0.04 -0.15 -0.08 0.00 -0.39 0.00 0.00 64.86 64.20 1f4i h ILE 20 Cb 0.26 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1f4i h ILE 20 CO 0.06 0.08 -0.40 -0.61 -0.69 0.00 0.00 178.15 176.59 1f4i h GLN 21 N 0.45 0.00 0.00 2.37 -0.00 -1.54 0.29 115.11 116.68 1f4i h GLN 21 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 1f4i h GLN 21 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.47 1f4i h GLN 21 CO -0.06 0.40 0.00 0.00 0.00 0.00 0.00 178.83 179.17 1f4i h ALA 22 N 1.60 1.00 0.00 3.38 0.00 -0.42 -1.66 119.26 123.16 1f4i h ALA 22 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1f4i h ALA 22 Cb 0.75 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1f4i h ALA 22 CO 0.05 0.00 -2.21 0.98 0.00 0.00 0.00 179.25 178.08 1f4i n TYR 23 N -2.66 0.00 -0.00 0.00 9.36 0.80 -3.72 117.16 120.95 1f4i n TYR 23 Ca 0.04 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.07 1f4i n TYR 23 Cb 0.44 -0.77 -0.14 0.00 -0.63 0.00 0.00 39.34 38.24 1f4i n TYR 23 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1f4i n PHE 24 N -2.52 1.20 0.21 2.98 3.72 0.95 0.46 117.46 124.46 1f4i n PHE 24 Ca -0.20 0.28 0.08 0.00 -0.05 0.00 0.00 57.45 57.56 1f4i n PHE 24 Cb 0.89 -1.17 0.41 0.00 -0.94 0.00 0.00 39.48 38.67 1f4i n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1f4i h ALA 25 N 0.26 1.03 -0.14 4.37 0.00 -1.51 -1.93 119.26 121.36 1f4i h ALA 25 Ca -0.40 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1f4i h ALA 25 Cb 2.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1f4i h ALA 25 CO 0.09 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1f4i n GLU 27 N -0.11 -2.52 -3.97 0.00 0.00 -0.72 -3.71 120.64 109.61 1f4i n GLU 27 Ca 0.07 0.68 -0.32 0.00 0.00 0.00 0.00 57.16 57.59 1f4i n GLU 27 Cb 0.14 -5.13 0.01 0.00 0.00 0.00 0.00 31.44 26.46 1f4i n GLU 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1f4i n LYS 28 N -3.78 -0.50 0.00 5.31 4.76 0.17 -4.93 118.16 119.20 1f4i n LYS 28 Ca -0.12 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.20 1f4i n LYS 28 Cb 0.62 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 1f4i n LYS 28 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1f4i n ASN 29 N -1.25 0.00 0.00 4.39 2.85 -1.24 -5.08 115.26 114.93 1f4i n ASN 29 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 1f4i n ASN 29 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 1f4i n ASN 29 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1f4i n GLU 30 N 0.00 0.00 0.31 1.20 1.02 -1.26 -4.76 120.64 117.14 1f4i n GLU 30 Ca 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.31 1f4i n GLU 30 Cb 0.00 0.00 0.99 0.00 -0.02 0.00 0.00 31.44 32.41 1f4i n GLU 30 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1f4i h ASN 31 N 0.00 0.00 0.02 1.62 -0.73 -2.00 -1.94 115.58 112.56 1f4i h ASN 31 Ca 0.00 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.05 1f4i h ASN 31 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.60 1f4i h ASN 31 CO 0.00 0.01 -0.48 0.25 -0.37 0.00 0.00 177.43 176.84 1f4i h LEU 32 N 0.00 0.38 -0.26 0.34 6.46 -1.93 -1.95 115.31 118.35 1f4i h LEU 32 Ca -0.00 -0.81 -0.01 0.00 -0.12 0.00 0.00 57.88 56.94 1f4i h LEU 32 Cb 0.03 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 1f4i h LEU 32 CO 0.00 1.15 0.14 0.00 -0.62 0.00 0.00 178.44 179.11 1f4i h ALA 33 N 0.24 0.33 -0.32 1.25 0.00 -1.65 0.11 119.26 119.21 1f4i h ALA 33 Ca -0.07 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1f4i h ALA 33 Cb 1.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1f4i h ALA 33 CO 0.09 -0.14 0.04 0.00 0.00 0.00 0.00 179.25 179.25 1f4i h ALA 34 N 1.02 0.32 -0.49 0.00 0.00 -1.47 -1.30 119.26 117.35 1f4i h ALA 34 Ca 0.09 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1f4i h ALA 34 Cb 0.07 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1f4i h ALA 34 CO -0.01 -0.36 0.33 -0.97 0.00 0.00 0.00 179.25 178.23 1f4i h ASN 35 N 0.15 0.38 0.29 0.00 -1.24 -0.73 -0.72 115.58 113.72 1f4i h ASN 35 Ca 0.15 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 1f4i h ASN 35 Cb 0.18 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1f4i h ASN 35 CO -0.22 0.25 -0.14 0.15 -1.29 0.00 0.00 177.43 176.19 1f4i h PHE 36 N 0.44 -0.36 -0.01 0.67 3.04 0.26 -1.00 116.94 119.97 1f4i h PHE 36 Ca 0.21 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.04 1f4i h PHE 36 Cb 0.27 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 1f4i h PHE 36 CO -0.00 -0.12 -0.51 -0.07 -2.02 0.00 0.00 178.31 175.59 1f4i h LEU 37 N -0.54 0.04 0.00 0.59 3.38 -0.63 -2.24 115.31 115.91 1f4i h LEU 37 Ca -0.04 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 1f4i h LEU 37 Cb 0.40 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1f4i h LEU 37 CO 0.07 0.54 -1.19 -0.07 0.09 0.00 0.00 178.44 177.88 1f4i h LEU 38 N 0.03 0.00 -0.09 1.67 3.38 -1.19 -3.24 115.31 115.87 1f4i h LEU 38 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f4i h LEU 38 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1f4i h LEU 38 CO 0.07 0.65 0.00 -1.28 0.09 0.00 0.00 178.44 177.97 1f4i h SER 39 N 0.00 0.00 -1.47 -0.43 0.87 -0.96 -3.44 113.55 108.12 1f4i h SER 39 Ca -0.12 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 59.96 1f4i h SER 39 Cb 1.61 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.57 1f4i h SER 39 CO 0.06 0.00 1.64 0.00 -0.53 0.00 0.00 176.83 178.00 1f4i n GLN 40 N -2.52 1.00 -1.94 2.24 6.02 -0.86 -4.86 117.38 116.45 1f4i n GLN 40 Ca 0.05 0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.65 1f4i n GLN 40 Cb 0.44 -3.24 -0.02 0.00 1.02 0.00 0.00 30.24 28.44 1f4i n GLN 40 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1f4i s ASN 41 N 11.67 6.57 -0.30 1.08 -0.87 -1.26 -4.98 114.94 126.86 1f4i s ASN 41 Ca 1.02 2.74 -0.17 0.00 -1.57 0.00 0.00 52.86 54.88 1f4i s ASN 41 Cb -0.29 -2.62 0.18 0.00 -0.02 0.00 0.00 41.25 38.49 1f4i s ASN 41 CO 0.29 -0.77 1.12 0.12 -2.57 0.00 0.00 177.10 175.30 1f4i s PHE 42 N 0.09 -0.38 -0.17 2.20 5.36 -1.26 -5.08 117.98 118.74 1f4i s PHE 42 Ca 0.61 0.69 -0.15 0.00 -0.96 0.00 0.00 56.93 57.12 1f4i s PHE 42 Cb -0.44 0.23 -0.05 0.00 -0.34 0.00 0.00 43.02 42.42 1f4i s PHE 42 CO 0.43 -0.19 -0.27 -0.25 -1.46 0.00 0.00 175.22 173.48 1f4i n ASP 43 N 4.35 1.89 0.00 6.13 9.92 -1.26 -5.10 116.55 132.48 1f4i n ASP 43 Ca -0.11 0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1f4i n ASP 43 Cb 0.55 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 1f4i n ASP 43 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1f4i n ASP 44 N -4.51 0.00 0.00 -2.24 8.00 -1.26 -5.34 116.55 111.20 1f4i n ASP 44 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1f4i n ASP 44 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1f4i n ASP 44 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97