#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 0.04 0.26 3.69 4.07 -1.26 -4.81 120.64 122.64 1f4i n GLU 2 Ca 0.00 -0.27 0.15 0.00 -0.06 0.00 0.00 57.16 56.98 1f4i n GLU 2 Cb 0.00 -0.52 0.79 0.00 -0.06 0.00 0.00 31.44 31.65 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 -0.34 5.31 2.10 -2.05 -1.40 116.57 120.19 1f4i h LYS 3 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 1f4i h LYS 3 Cb 0.71 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1f4i h LYS 3 CO 0.00 0.00 -0.45 1.49 -2.00 0.00 0.00 179.45 178.49 1f4i h GLU 4 N 0.00 0.90 0.00 0.07 4.81 -2.02 -2.30 114.58 116.04 1f4i h GLU 4 Ca 0.00 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1f4i h GLU 4 Cb 0.31 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1f4i h GLU 4 CO 0.00 1.16 0.00 0.00 -0.73 0.00 0.00 179.01 179.44 1f4i h ALA 5 N 0.76 1.00 0.00 2.92 0.00 -1.64 -3.28 119.26 119.02 1f4i h ALA 5 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1f4i h ALA 5 Cb 1.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1f4i h ALA 5 CO 0.11 0.00 -0.35 0.82 0.00 0.00 0.00 179.25 179.83 1f4i h ILE 6 N 0.00 0.70 0.00 0.00 2.04 -1.27 0.16 117.51 119.15 1f4i h ILE 6 Ca 0.00 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.25 1f4i h ILE 6 Cb 0.71 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1f4i h ILE 6 CO 0.00 0.34 -0.68 1.05 0.00 0.00 0.00 178.15 178.86 1f4i h GLU 7 N 0.00 0.00 0.00 2.37 4.11 -1.63 -2.70 114.58 116.73 1f4i h GLU 7 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.37 1f4i h GLU 7 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1f4i h GLU 7 CO 0.05 0.00 -0.40 -0.09 0.07 0.00 0.00 179.01 178.64 1f4i h ARG 8 N 0.00 0.00 -0.38 1.06 2.43 -1.43 -2.23 114.38 113.83 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 0.79 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.27 1f4i h ARG 8 CO 0.00 0.51 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.88 1f4i h LEU 9 N -1.00 -0.21 -1.32 3.80 3.38 -0.88 -0.45 115.31 118.64 1f4i h LEU 9 Ca -0.08 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1f4i h LEU 9 Cb 0.69 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1f4i h LEU 9 CO -0.05 -0.07 0.13 0.11 0.09 0.00 0.00 178.44 178.66 1f4i h LYS 10 N 0.07 0.60 0.00 1.13 1.57 -1.63 -2.82 116.57 115.50 1f4i h LYS 10 Ca 0.19 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1f4i h LYS 10 Cb 0.27 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1f4i h LYS 10 CO -0.34 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 1f4i h ALA 11 N 1.56 1.00 0.00 3.86 0.00 -0.44 -0.40 119.26 124.84 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 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1f4i h ALA 11 CO -0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1f4i n LEU 12 N -2.92 0.00 0.00 0.00 4.32 -1.01 -4.82 117.00 112.57 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 0.19 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 1f4i n LEU 12 CO 0.22 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.00 1f4i n GLY 13 N 0.59 1.70 0.00 -0.72 0.00 -0.24 -5.10 105.19 101.42 1f4i n GLY 13 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.30 0.00 -3.64 1.61 3.72 -0.71 -5.08 117.46 112.06 1f4i n PHE 14 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 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 3.93 0.80 0.60 -1.08 2.56 -1.26 -4.85 118.70 119.41 1f4i s GLU 15 Ca 0.00 0.86 0.24 0.00 0.00 0.00 0.00 54.97 56.07 1f4i s GLU 15 Cb 0.00 0.39 1.31 0.00 2.00 0.00 0.00 34.13 37.82 1f4i s GLU 15 CO 0.00 -0.11 1.72 1.49 -0.56 0.00 0.00 175.26 177.79 1f4i h GLU 16 N 4.91 0.00 0.00 4.30 4.81 -1.96 0.30 114.58 126.94 1f4i h GLU 16 Ca -0.29 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 1f4i h GLU 16 Cb 1.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1f4i h GLU 16 CO 0.11 0.00 -0.23 0.77 -0.73 0.00 0.00 179.01 178.93 1f4i h SER 17 N 0.00 0.00 0.57 1.04 0.02 -1.97 -1.49 113.55 111.72 1f4i h SER 17 Ca 0.00 -0.67 -0.01 0.00 -0.84 0.00 0.00 61.79 60.28 1f4i h SER 17 Cb 0.79 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 1f4i h SER 17 CO 0.00 0.97 -0.03 0.17 -1.14 0.00 0.00 176.83 176.79 1f4i h LEU 18 N -1.00 0.00 0.28 5.07 -0.00 -1.59 -2.37 115.31 115.70 1f4i h LEU 18 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.81 1f4i h LEU 18 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.48 1f4i h LEU 18 CO -0.03 0.03 -0.14 0.58 -0.00 0.00 0.00 178.44 178.88 1f4i h VAL 19 N 0.00 0.09 -0.10 0.15 2.07 -1.10 -1.48 116.25 115.87 1f4i h VAL 19 Ca -0.00 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.79 1f4i h VAL 19 Cb 0.33 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1f4i h VAL 19 CO 0.00 0.03 -0.06 0.40 0.02 0.00 0.00 177.57 177.96 1f4i h ILE 20 N -1.09 0.80 0.00 4.57 1.08 -1.16 0.26 117.51 121.97 1f4i h ILE 20 Ca -0.04 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.39 1f4i h ILE 20 Cb 0.33 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1f4i h ILE 20 CO 0.06 0.00 -0.22 1.56 -0.69 0.00 0.00 178.15 178.87 1f4i h GLN 21 N -0.06 0.00 0.00 2.37 4.20 -1.58 0.41 115.11 120.45 1f4i h GLN 21 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1f4i h GLN 21 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1f4i h GLN 21 CO -0.14 0.22 -0.06 0.00 -0.67 0.00 0.00 178.83 178.17 1f4i h ALA 22 N 1.78 0.96 0.00 3.87 0.00 -0.22 -1.85 119.26 123.80 1f4i h ALA 22 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1f4i h ALA 22 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1f4i h ALA 22 CO 0.03 0.00 -1.85 0.98 0.00 0.00 0.00 179.25 178.41 1f4i n TYR 23 N -2.43 0.00 -0.02 0.00 9.36 0.80 -3.71 117.16 121.17 1f4i n TYR 23 Ca 0.05 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 61.06 1f4i n TYR 23 Cb 0.45 -0.47 -0.14 0.00 -0.63 0.00 0.00 39.34 38.56 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 -2.19 1.17 0.20 2.98 3.01 0.14 0.01 117.46 122.78 1f4i n PHE 24 Ca -0.07 0.27 0.07 0.00 1.01 0.00 0.00 57.45 58.73 1f4i n PHE 24 Cb 0.55 -1.15 0.39 0.00 -0.01 0.00 0.00 39.48 39.26 1f4i n PHE 24 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1f4i h ALA 25 N -0.01 1.05 -0.04 4.37 0.00 -1.54 -2.31 119.26 120.78 1f4i h ALA 25 Ca -0.43 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1f4i h ALA 25 Cb 1.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1f4i h ALA 25 CO 0.04 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1f4i n GLU 27 N -0.53 -2.08 -3.86 0.00 0.00 -0.87 -3.76 120.64 109.55 1f4i n GLU 27 Ca 0.16 0.88 -0.27 0.00 0.00 0.00 0.00 57.16 57.93 1f4i n GLU 27 Cb 0.14 -5.66 -0.03 0.00 0.00 0.00 0.00 31.44 25.89 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 -3.21 -0.74 0.00 5.31 4.01 0.10 -4.92 118.16 118.71 1f4i n LYS 28 Ca -0.07 -0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 1f4i n LYS 28 Cb 0.61 -2.02 0.00 0.00 -0.51 0.00 0.00 35.03 33.10 1f4i n LYS 28 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1f4i n ASN 29 N -1.61 0.00 0.00 4.39 2.85 -1.25 -5.09 115.26 114.55 1f4i n ASN 29 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 1f4i n ASN 29 Cb 0.45 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.47 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 0.29 1.20 1.02 -1.26 -4.73 120.64 117.16 1f4i n GLU 30 Ca 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.30 1f4i n GLU 30 Cb 0.00 0.00 0.89 0.00 -0.02 0.00 0.00 31.44 32.31 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 0.15 1.62 4.21 -1.99 -1.83 115.58 117.74 1f4i h ASN 31 Ca 0.00 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.29 1f4i h ASN 31 Cb 0.00 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.22 1f4i h ASN 31 CO 0.00 0.05 -0.99 0.25 -1.29 0.00 0.00 177.43 175.45 1f4i h LEU 32 N 0.00 0.51 -0.15 1.61 7.12 -1.93 -2.66 115.31 119.81 1f4i h LEU 32 Ca -0.00 -0.94 0.02 0.00 0.13 0.00 0.00 57.88 57.09 1f4i h LEU 32 Cb 0.19 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.14 1f4i h LEU 32 CO 0.01 1.47 0.03 0.00 -0.13 0.00 0.00 178.44 179.82 1f4i h ALA 33 N 0.07 0.15 -0.20 1.25 0.00 -1.68 0.12 119.26 118.97 1f4i h ALA 33 Ca -0.18 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1f4i h ALA 33 Cb 1.73 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 1f4i h ALA 33 CO 0.16 -0.41 -0.02 0.00 0.00 0.00 0.00 179.25 178.98 1f4i h ALA 34 N 1.10 0.16 -0.58 0.00 0.00 -1.47 -1.76 119.26 116.71 1f4i h ALA 34 Ca 0.07 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1f4i h ALA 34 Cb 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1f4i h ALA 34 CO -0.08 -0.45 0.39 -0.97 0.00 0.00 0.00 179.25 178.14 1f4i h ASN 35 N 0.04 0.28 0.45 0.00 -0.73 -1.01 -0.78 115.58 113.84 1f4i h ASN 35 Ca 0.09 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.25 1f4i h ASN 35 Cb 0.13 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.67 1f4i h ASN 35 CO -0.17 0.17 -0.22 0.15 -0.37 0.00 0.00 177.43 176.99 1f4i h PHE 36 N 0.31 -0.57 0.00 0.67 3.04 0.04 -1.95 116.94 118.49 1f4i h PHE 36 Ca 0.27 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.10 1f4i h PHE 36 Cb 0.64 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.32 1f4i h PHE 36 CO -0.00 -0.27 -0.53 -0.07 -2.02 0.00 0.00 178.31 175.42 1f4i h LEU 37 N -0.79 0.00 0.00 0.59 3.38 -0.69 -2.72 115.31 115.08 1f4i h LEU 37 Ca -0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1f4i h LEU 37 Cb 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1f4i h LEU 37 CO 0.10 0.53 -0.93 -0.07 0.09 0.00 0.00 178.44 178.17 1f4i h LEU 38 N 0.00 0.00 -0.89 1.67 3.38 -1.23 -3.13 115.31 115.11 1f4i h LEU 38 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1f4i h LEU 38 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1f4i h LEU 38 CO 0.07 0.70 -0.13 -1.28 0.09 0.00 0.00 178.44 177.89 1f4i h SER 39 N 0.00 0.00 -2.57 -0.43 0.87 -1.12 -3.41 113.55 106.89 1f4i h SER 39 Ca -0.06 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 59.96 1f4i h SER 39 Cb 1.59 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.49 1f4i h SER 39 CO 0.08 0.13 1.14 -1.10 -0.53 0.00 0.00 176.83 176.56 1f4i s GLN 40 N -3.50 3.15 0.25 2.24 -0.21 -1.05 -4.96 119.66 115.59 1f4i s GLN 40 Ca 0.02 0.37 -0.31 0.00 0.02 0.00 0.00 55.36 55.47 1f4i s GLN 40 Cb 0.08 -4.19 -0.13 0.00 1.00 0.00 0.00 33.01 29.78 1f4i s GLN 40 CO 0.62 -2.13 1.44 0.09 -2.12 0.00 0.00 175.29 173.20 1f4i n ASN 41 N 10.15 2.96 -3.38 5.90 3.02 -1.26 -4.98 115.26 127.67 1f4i n ASN 41 Ca 0.12 1.14 0.03 0.00 -0.03 0.00 0.00 54.58 55.84 1f4i n ASN 41 Cb 0.50 -1.46 -0.05 0.00 -0.61 0.00 0.00 39.78 38.16 1f4i n ASN 41 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1f4i s PHE 42 N -0.05 -0.15 0.64 3.10 5.36 -1.26 -5.17 117.98 120.45 1f4i s PHE 42 Ca 0.67 0.27 -0.16 0.00 -0.96 0.00 0.00 56.93 56.75 1f4i s PHE 42 Cb -0.62 0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.14 1f4i s PHE 42 CO 0.49 -0.07 1.14 -0.51 -1.46 0.00 0.00 175.22 174.81 1f4i s ASP 43 N 1.70 5.08 0.00 6.13 1.01 -1.26 -4.98 116.67 124.35 1f4i s ASP 43 Ca -0.03 2.13 0.00 0.00 0.71 0.00 0.00 52.55 55.36 1f4i s ASP 43 Cb -0.02 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1f4i s ASP 43 CO -0.14 -1.65 0.00 0.47 0.21 0.00 0.00 175.17 174.06 1f4i n ASP 44 N -2.16 0.14 0.00 0.27 8.00 -1.26 -5.22 116.55 116.32 1f4i n ASP 44 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1f4i n ASP 44 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1f4i n ASP 44 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02