#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 4.54 0.28 -1.09 4.07 -1.26 -4.62 120.64 122.56 1f4i n GLU 2 Ca 0.00 -0.16 0.16 0.00 -0.06 0.00 0.00 57.16 57.10 1f4i n GLU 2 Cb 0.00 -0.74 0.85 0.00 -0.06 0.00 0.00 31.44 31.49 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 0.15 0.00 -0.33 5.31 2.10 -2.05 -1.83 116.57 119.92 1f4i h LYS 3 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 1f4i h LYS 3 Cb 0.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 1f4i h LYS 3 CO 0.00 0.00 -0.26 1.49 -2.00 0.00 0.00 179.45 178.68 1f4i h GLU 4 N 0.00 0.76 0.00 0.07 4.81 -2.02 -2.52 114.58 115.67 1f4i h GLU 4 Ca 0.00 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1f4i h GLU 4 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1f4i h GLU 4 CO 0.00 1.00 0.00 0.00 -0.73 0.00 0.00 179.01 179.28 1f4i h ALA 5 N 0.74 1.00 -0.17 2.92 0.00 -1.68 -3.29 119.26 118.79 1f4i h ALA 5 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1f4i h ALA 5 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1f4i h ALA 5 CO 0.07 0.00 -0.40 0.82 0.00 0.00 0.00 179.25 179.74 1f4i h ILE 6 N 0.00 1.34 0.00 0.00 2.04 -1.33 0.12 117.51 119.68 1f4i h ILE 6 Ca 0.00 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.21 1f4i h ILE 6 Cb 0.67 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1f4i h ILE 6 CO 0.00 0.50 0.00 1.05 0.00 0.00 0.00 178.15 179.70 1f4i h GLU 7 N 0.22 0.00 0.00 2.37 4.11 -1.64 -0.60 114.58 119.04 1f4i h GLU 7 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1f4i h GLU 7 Cb 1.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1f4i h GLU 7 CO 0.09 0.00 -0.14 -0.09 0.07 0.00 0.00 179.01 178.94 1f4i h ARG 8 N 0.00 0.00 -0.51 1.06 2.43 -1.50 -2.42 114.38 113.44 1f4i h ARG 8 Ca 0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1f4i h ARG 8 Cb 0.40 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.85 1f4i h ARG 8 CO 0.00 0.32 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.56 1f4i h LEU 9 N -1.00 -0.53 -1.12 3.80 3.38 -0.77 -0.57 115.31 118.50 1f4i h LEU 9 Ca -0.02 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1f4i h LEU 9 Cb 0.40 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1f4i h LEU 9 CO -0.01 -0.19 0.07 0.11 0.09 0.00 0.00 178.44 178.51 1f4i h LYS 10 N -0.02 0.69 0.00 1.13 1.57 -1.25 -2.59 116.57 116.09 1f4i h LYS 10 Ca 0.24 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1f4i h LYS 10 Cb 0.40 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1f4i h LYS 10 CO -0.54 0.66 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 1f4i h ALA 11 N 1.41 1.00 0.00 3.86 0.00 -0.59 -0.86 119.26 124.09 1f4i h ALA 11 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1f4i h ALA 11 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1f4i h ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1f4i n LEU 12 N -3.03 0.00 0.00 0.00 4.32 -0.91 -4.81 117.00 112.57 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 0.22 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1f4i n LEU 12 CO 0.24 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1f4i n GLY 13 N 0.56 1.38 0.00 -0.72 0.00 -0.42 -5.10 105.19 100.89 1f4i n GLY 13 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.53 0.00 -3.63 1.61 3.72 -0.63 -5.07 117.46 111.94 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 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 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 3.97 0.80 0.59 -1.08 2.56 -1.26 -4.82 118.70 119.46 1f4i s GLU 15 Ca 0.00 0.90 0.32 0.00 0.00 0.00 0.00 54.97 56.19 1f4i s GLU 15 Cb 0.00 0.39 1.25 0.00 2.00 0.00 0.00 34.13 37.77 1f4i s GLU 15 CO 0.00 -0.11 1.55 1.49 -0.56 0.00 0.00 175.26 177.63 1f4i h GLU 16 N 4.77 0.00 0.00 4.30 4.81 -1.95 0.67 114.58 127.18 1f4i h GLU 16 Ca -0.29 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 1f4i h GLU 16 Cb 1.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1f4i h GLU 16 CO 0.08 0.00 -0.30 0.77 -0.73 0.00 0.00 179.01 178.82 1f4i h SER 17 N 0.00 0.00 0.68 1.04 0.02 -1.98 -0.70 113.55 112.60 1f4i h SER 17 Ca 0.49 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1f4i h SER 17 Cb 2.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.06 1f4i h SER 17 CO -0.01 1.08 0.00 0.17 -1.14 0.00 0.00 176.83 176.94 1f4i h LEU 18 N -1.00 0.00 0.10 5.07 8.10 -1.55 -2.19 115.31 123.84 1f4i h LEU 18 Ca -0.08 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.90 1f4i h LEU 18 Cb 1.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.23 1f4i h LEU 18 CO -0.05 0.00 -0.05 0.58 -4.11 0.00 0.00 178.44 174.81 1f4i h VAL 19 N 0.00 0.28 -0.34 0.15 2.07 -1.00 -1.78 116.25 115.63 1f4i h VAL 19 Ca 0.00 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1f4i h VAL 19 Cb 0.34 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1f4i h VAL 19 CO 0.00 0.09 0.21 0.40 0.02 0.00 0.00 177.57 178.29 1f4i h ILE 20 N -1.02 1.05 -0.00 4.57 1.08 -1.06 0.32 117.51 122.45 1f4i h ILE 20 Ca -0.01 -0.15 -0.09 0.00 -0.39 0.00 0.00 64.86 64.22 1f4i h ILE 20 Cb 0.25 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1f4i h ILE 20 CO 0.02 0.08 -0.43 -0.61 -0.69 0.00 0.00 178.15 176.52 1f4i h GLN 21 N 0.42 0.01 0.00 2.37 5.75 -1.55 0.19 115.11 122.30 1f4i h GLN 21 Ca 0.13 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1f4i h GLN 21 Cb -0.01 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.54 1f4i h GLN 21 CO -0.05 0.44 0.00 0.00 -2.65 0.00 0.00 178.83 176.57 1f4i h ALA 22 N 1.56 1.00 0.00 3.38 0.00 -0.47 -1.05 119.26 123.68 1f4i h ALA 22 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1f4i h ALA 22 Cb 0.77 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1f4i h ALA 22 CO 0.06 0.00 -2.09 0.98 0.00 0.00 0.00 179.25 178.20 1f4i n TYR 23 N -2.75 0.32 0.03 0.00 9.36 0.10 -3.60 117.16 120.63 1f4i n TYR 23 Ca 0.04 0.11 -0.20 0.00 3.32 0.00 0.00 57.90 61.17 1f4i n TYR 23 Cb 0.44 -0.99 -0.14 0.00 -0.63 0.00 0.00 39.34 38.01 1f4i n TYR 23 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1f4i h PHE 24 N 0.00 0.53 0.00 2.98 0.04 -0.66 0.54 116.94 120.36 1f4i h PHE 24 Ca -0.39 -0.38 -0.06 0.00 2.80 0.00 0.00 57.97 59.93 1f4i h PHE 24 Cb 1.99 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 40.11 1f4i h PHE 24 CO 0.00 1.65 -0.30 0.00 -0.60 0.00 0.00 178.31 179.05 1f4i h ALA 25 N 0.21 1.14 -0.06 2.45 0.00 -1.40 -1.91 119.26 119.69 1f4i h ALA 25 Ca -0.37 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1f4i h ALA 25 Cb 2.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1f4i h ALA 25 CO 0.13 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1f4i n GLU 27 N -0.40 -2.43 -3.84 0.00 0.00 -0.72 -3.89 120.64 109.35 1f4i n GLU 27 Ca 0.15 0.85 -0.26 0.00 0.00 0.00 0.00 57.16 57.90 1f4i n GLU 27 Cb 0.16 -5.76 -0.02 0.00 0.00 0.00 0.00 31.44 25.83 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 -3.24 -0.68 0.00 5.31 4.76 0.19 -4.92 118.16 119.57 1f4i n LYS 28 Ca -0.08 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1f4i n LYS 28 Cb 0.62 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 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 -1.29 0.14 0.00 4.39 5.15 -1.25 -5.08 115.26 117.32 1f4i n ASN 29 Ca -0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 1f4i n ASN 29 Cb 0.39 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.64 1f4i n ASN 29 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1f4i n GLU 30 N 0.00 0.00 0.32 1.20 1.02 -1.26 -4.61 120.64 117.31 1f4i n GLU 30 Ca 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.35 1f4i n GLU 30 Cb 0.00 0.00 1.06 0.00 -0.02 0.00 0.00 31.44 32.48 1f4i n GLU 30 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1f4i h ASN 31 N 0.00 0.00 0.10 1.62 2.35 -2.00 -1.73 115.58 115.93 1f4i h ASN 31 Ca 0.00 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 1f4i h ASN 31 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.39 1f4i h ASN 31 CO 0.00 0.00 -0.64 0.25 -1.65 0.00 0.00 177.43 175.39 1f4i h LEU 32 N 0.00 0.39 0.05 1.61 5.85 -1.94 -1.97 115.31 119.31 1f4i h LEU 32 Ca -0.00 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.79 1f4i h LEU 32 Cb 0.15 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1f4i h LEU 32 CO 0.00 1.30 -0.06 0.00 -0.34 0.00 0.00 178.44 179.34 1f4i h ALA 33 N 0.10 -0.10 -0.33 1.25 0.00 -1.68 -0.73 119.26 117.76 1f4i h ALA 33 Ca -0.11 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1f4i h ALA 33 Cb 1.49 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 1f4i h ALA 33 CO 0.12 -0.57 -0.06 0.00 0.00 0.00 0.00 179.25 178.75 1f4i h ALA 34 N 0.82 0.25 -0.72 0.00 0.00 -1.43 -1.26 119.26 116.91 1f4i h ALA 34 Ca 0.00 0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1f4i h ALA 34 Cb 0.12 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1f4i h ALA 34 CO -0.02 -0.44 0.48 -0.97 0.00 0.00 0.00 179.25 178.30 1f4i h ASN 35 N 0.03 0.40 0.71 0.00 -0.73 -0.89 -0.66 115.58 114.44 1f4i h ASN 35 Ca 0.16 0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 1f4i h ASN 35 Cb 0.24 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.77 1f4i h ASN 35 CO -0.32 0.22 -0.40 0.15 -0.37 0.00 0.00 177.43 176.71 1f4i h PHE 36 N 0.43 -1.05 -0.06 0.67 3.04 0.05 -1.88 116.94 118.15 1f4i h PHE 36 Ca 0.35 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.18 1f4i h PHE 36 Cb 0.76 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 39.62 1f4i h PHE 36 CO -0.00 -0.62 -0.44 -0.07 -2.02 0.00 0.00 178.31 175.16 1f4i h LEU 37 N -1.03 0.14 -0.11 0.59 4.07 -0.87 -2.75 115.31 115.34 1f4i h LEU 37 Ca -0.09 -0.06 -0.11 0.00 0.08 0.00 0.00 57.88 57.69 1f4i h LEU 37 Cb 0.82 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 1f4i h LEU 37 CO 0.12 0.56 -0.54 -0.07 -1.08 0.00 0.00 178.44 177.44 1f4i h LEU 38 N 0.11 0.00 -0.58 1.67 3.38 -1.19 -2.94 115.31 115.76 1f4i h LEU 38 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1f4i h LEU 38 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1f4i h LEU 38 CO 0.06 0.54 0.00 -1.28 0.09 0.00 0.00 178.44 177.85 1f4i h SER 39 N 0.00 0.00 -2.44 -0.43 0.87 -1.03 -3.41 113.55 107.11 1f4i h SER 39 Ca -0.01 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.00 1f4i h SER 39 Cb 1.37 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.24 1f4i h SER 39 CO 0.07 0.00 0.98 -1.10 -0.53 0.00 0.00 176.83 176.25 1f4i s GLN 40 N -3.32 3.19 0.05 2.24 -1.52 -1.11 -4.98 119.66 114.21 1f4i s GLN 40 Ca 0.06 -0.30 -0.31 0.00 -1.95 0.00 0.00 55.36 52.86 1f4i s GLN 40 Cb 0.09 -4.18 -0.06 0.00 -0.22 0.00 0.00 33.01 28.64 1f4i s GLN 40 CO 0.52 -2.08 1.35 -0.80 -0.25 0.00 0.00 175.29 174.03 1f4i s ASN 41 N 3.69 6.89 0.00 5.90 0.02 -1.26 -4.96 114.94 125.23 1f4i s ASN 41 Ca 0.34 2.15 0.00 0.00 -1.02 0.00 0.00 52.86 54.33 1f4i s ASN 41 Cb -0.09 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.61 1f4i s ASN 41 CO 0.15 -0.65 0.00 0.49 0.02 0.00 0.00 177.10 177.11 1f4i n PHE 42 N 4.64 0.00 -2.42 2.20 3.72 -1.26 -5.10 117.46 119.23 1f4i n PHE 42 Ca 0.12 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.49 1f4i n PHE 42 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1f4i n PHE 42 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1f4i n ASP 43 N 0.00 -6.33 -3.77 4.37 -0.08 -1.26 -4.94 116.55 104.53 1f4i n ASP 43 Ca 0.00 0.71 -0.40 0.00 -1.51 0.00 0.00 54.79 53.59 1f4i n ASP 43 Cb 0.00 -4.16 0.00 0.00 2.34 0.00 0.00 41.12 39.31 1f4i n ASP 43 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1f4i n ASP 44 N 0.07 6.44 0.00 1.67 8.00 -1.26 -5.29 116.55 126.19 1f4i n ASP 44 Ca 0.04 -3.53 0.06 0.00 0.71 0.00 0.00 54.79 52.08 1f4i n ASP 44 Cb 0.17 -1.15 0.37 0.00 -0.02 0.00 0.00 41.12 40.49 1f4i n ASP 44 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97