#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 0.96 0.33 -1.09 4.07 -1.26 -4.77 120.64 118.88 1f4i n GLU 2 Ca 0.00 -0.80 0.22 0.00 -0.06 0.00 0.00 57.16 56.51 1f4i n GLU 2 Cb 0.00 -0.77 1.16 0.00 -0.06 0.00 0.00 31.44 31.77 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 -0.47 5.31 5.09 -2.05 -1.88 116.57 122.57 1f4i h LYS 3 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.65 1f4i h LYS 3 Cb 0.58 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.89 1f4i h LYS 3 CO 0.00 0.00 -0.05 1.49 -2.09 0.00 0.00 179.45 178.80 1f4i h GLU 4 N 0.00 0.87 0.00 0.07 4.81 -2.02 -1.89 114.58 116.42 1f4i h GLU 4 Ca 0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1f4i h GLU 4 Cb 0.05 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1f4i h GLU 4 CO 0.00 0.93 0.00 0.00 -0.73 0.00 0.00 179.01 179.21 1f4i h ALA 5 N 0.90 1.00 0.00 2.92 0.00 -1.72 -3.25 119.26 119.12 1f4i h ALA 5 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1f4i h ALA 5 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1f4i h ALA 5 CO 0.03 0.00 -0.31 0.82 0.00 0.00 0.00 179.25 179.80 1f4i h ILE 6 N 0.00 0.58 0.00 0.00 1.08 -1.25 0.13 117.51 118.05 1f4i h ILE 6 Ca 0.00 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 62.87 1f4i h ILE 6 Cb 0.60 2.11 0.00 0.00 -3.07 0.00 0.00 36.82 36.47 1f4i h ILE 6 CO 0.00 0.30 -0.76 1.05 -0.69 0.00 0.00 178.15 178.05 1f4i h GLU 7 N 0.00 0.00 0.00 2.37 4.11 -1.61 -3.01 114.58 116.44 1f4i h GLU 7 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1f4i h GLU 7 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1f4i h GLU 7 CO 0.04 0.00 -0.40 -0.09 0.07 0.00 0.00 179.01 178.63 1f4i h ARG 8 N 0.00 0.00 -0.29 1.06 9.65 -1.44 -1.96 114.38 121.40 1f4i h ARG 8 Ca 0.00 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 1f4i h ARG 8 Cb 0.78 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.33 1f4i h ARG 8 CO 0.00 0.66 0.13 -0.07 2.80 0.00 0.00 179.97 183.49 1f4i h LEU 9 N -1.00 0.18 -1.42 3.80 3.38 -0.96 -1.34 115.31 117.95 1f4i h LEU 9 Ca -0.09 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1f4i h LEU 9 Cb 0.80 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1f4i h LEU 9 CO -0.06 0.14 0.08 0.11 0.09 0.00 0.00 178.44 178.80 1f4i h LYS 10 N 0.28 0.46 0.00 1.13 1.57 -1.67 -2.79 116.57 115.55 1f4i h LYS 10 Ca 0.12 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1f4i h LYS 10 Cb 0.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1f4i h LYS 10 CO -0.10 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.21 1f4i h ALA 11 N 1.63 1.00 0.00 3.86 0.00 -0.42 -0.43 119.26 124.89 1f4i h ALA 11 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 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 -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1f4i n LEU 12 N -2.96 0.00 0.00 0.00 4.32 -1.05 -4.82 117.00 112.48 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 0.60 1.72 0.00 -0.72 0.00 -0.25 -5.10 105.19 101.44 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 -1.27 0.00 -3.63 1.61 3.72 -0.71 -5.08 117.46 112.09 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 4.00 0.81 0.52 -1.08 2.56 -1.26 -4.84 118.70 119.42 1f4i s GLU 15 Ca 0.00 0.88 0.22 0.00 0.00 0.00 0.00 54.97 56.07 1f4i s GLU 15 Cb 0.00 0.40 1.22 0.00 2.00 0.00 0.00 34.13 37.75 1f4i s GLU 15 CO 0.00 -0.12 1.65 1.49 -0.56 0.00 0.00 175.26 177.72 1f4i h GLU 16 N 4.88 0.00 0.00 4.30 4.81 -1.96 -0.68 114.58 125.93 1f4i h GLU 16 Ca -0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1f4i h GLU 16 Cb 1.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1f4i h GLU 16 CO 0.11 0.00 -0.05 0.77 -0.73 0.00 0.00 179.01 179.10 1f4i h SER 17 N 0.00 0.00 0.49 1.04 0.02 -1.97 -1.41 113.55 111.73 1f4i h SER 17 Ca 0.00 -0.59 -0.01 0.00 -0.84 0.00 0.00 61.79 60.35 1f4i h SER 17 Cb 0.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 1f4i h SER 17 CO 0.00 0.82 -0.05 0.17 -1.14 0.00 0.00 176.83 176.63 1f4i h LEU 18 N -1.00 0.00 0.25 5.07 -0.00 -1.66 -2.48 115.31 115.50 1f4i h LEU 18 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1f4i h LEU 18 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1f4i h LEU 18 CO -0.01 0.05 -0.12 0.58 -0.00 0.00 0.00 178.44 178.94 1f4i h VAL 19 N 0.00 0.04 -0.51 0.15 2.07 -1.28 -0.64 116.25 116.09 1f4i h VAL 19 Ca -0.00 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 66.81 1f4i h VAL 19 Cb 0.31 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 1f4i h VAL 19 CO 0.01 0.01 0.20 0.40 0.02 0.00 0.00 177.57 178.21 1f4i h ILE 20 N -1.09 0.85 0.00 4.57 1.08 -1.16 0.14 117.51 121.91 1f4i h ILE 20 Ca -0.03 -0.13 -0.12 0.00 -0.39 0.00 0.00 64.86 64.18 1f4i h ILE 20 Cb 0.28 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 1f4i h ILE 20 CO 0.06 0.07 -0.55 1.56 -0.69 0.00 0.00 178.15 178.59 1f4i h GLN 21 N 0.39 0.00 0.00 2.37 4.20 -1.59 0.46 115.11 120.94 1f4i h GLN 21 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1f4i h GLN 21 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1f4i h GLN 21 CO -0.23 0.55 0.00 0.00 -0.67 0.00 0.00 178.83 178.49 1f4i h ALA 22 N 1.45 1.00 0.02 3.87 0.00 0.13 -0.99 119.26 124.74 1f4i h ALA 22 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 1f4i h ALA 22 Cb 1.03 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1f4i h ALA 22 CO 0.07 0.00 -2.40 0.98 0.00 0.00 0.00 179.25 177.90 1f4i n TYR 23 N -2.58 0.21 -0.01 0.00 9.36 0.36 -3.68 117.16 120.81 1f4i n TYR 23 Ca 0.04 0.04 -0.17 0.00 3.32 0.00 0.00 57.90 61.13 1f4i n TYR 23 Cb 0.40 -1.03 -0.09 0.00 -0.63 0.00 0.00 39.34 37.99 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 0.01 0.92 0.00 2.98 0.04 -0.98 0.26 116.94 120.17 1f4i h PHE 24 Ca -0.55 -0.43 -0.05 0.00 2.80 0.00 0.00 57.97 59.74 1f4i h PHE 24 Cb 1.93 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.94 1f4i h PHE 24 CO 0.04 1.25 -0.25 0.00 -0.60 0.00 0.00 178.31 178.75 1f4i h ALA 25 N 0.48 1.10 -0.07 2.45 0.00 -1.39 -2.12 119.26 119.71 1f4i h ALA 25 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1f4i h ALA 25 Cb 1.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1f4i h ALA 25 CO 0.15 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1f4i n GLU 27 N -0.31 -2.43 -3.79 0.00 0.00 -0.79 -3.76 120.64 109.55 1f4i n GLU 27 Ca 0.14 0.81 -0.23 0.00 0.00 0.00 0.00 57.16 57.89 1f4i n GLU 27 Cb 0.17 -5.57 -0.06 0.00 0.00 0.00 0.00 31.44 25.98 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 -3.18 -0.91 0.00 5.31 4.01 0.91 -4.91 118.16 119.38 1f4i n LYS 28 Ca -0.08 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 1f4i n LYS 28 Cb 0.62 -2.40 0.00 0.00 -0.51 0.00 0.00 35.03 32.74 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 -1.86 0.00 0.00 4.39 2.85 -1.25 -5.07 115.26 114.32 1f4i n ASN 29 Ca -0.22 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.25 1f4i n ASN 29 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 -4.77 120.64 117.13 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 0.91 0.00 -0.02 0.00 0.00 31.44 32.33 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 -1.80 115.58 117.77 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 0.03 0.00 -1.12 0.00 0.00 38.32 37.23 1f4i h ASN 31 CO 0.00 0.04 -0.96 0.25 -1.29 0.00 0.00 177.43 175.48 1f4i h LEU 32 N 0.00 0.58 -0.22 1.61 7.12 -1.93 -2.60 115.31 119.86 1f4i h LEU 32 Ca -0.00 -0.92 -0.01 0.00 0.13 0.00 0.00 57.88 57.08 1f4i h LEU 32 Cb 0.17 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.11 1f4i h LEU 32 CO 0.01 1.46 0.11 0.00 -0.13 0.00 0.00 178.44 179.88 1f4i h ALA 33 N 0.13 0.28 -0.24 1.25 0.00 -1.65 0.10 119.26 119.13 1f4i h ALA 33 Ca -0.16 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1f4i h ALA 33 Cb 1.74 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 1f4i h ALA 33 CO 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.24 1f4i h ALA 34 N 0.99 0.19 -0.80 0.00 0.00 -1.47 -1.53 119.26 116.64 1f4i h ALA 34 Ca 0.08 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1f4i h ALA 34 Cb 0.09 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1f4i h ALA 34 CO -0.01 -0.44 0.52 -0.97 0.00 0.00 0.00 179.25 178.35 1f4i h ASN 35 N 0.04 0.68 0.34 0.00 -1.24 -1.03 -0.74 115.58 113.63 1f4i h ASN 35 Ca 0.11 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.12 1f4i h ASN 35 Cb 0.16 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.08 1f4i h ASN 35 CO -0.21 0.41 -0.16 0.15 -1.29 0.00 0.00 177.43 176.32 1f4i h PHE 36 N 0.76 -0.43 0.00 0.67 3.04 0.11 -0.18 116.94 120.91 1f4i h PHE 36 Ca 0.36 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 62.20 1f4i h PHE 36 Cb 0.41 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 1f4i h PHE 36 CO -0.00 -0.26 -0.47 -0.07 -2.02 0.00 0.00 178.31 175.48 1f4i h LEU 37 N -0.46 0.00 0.00 0.59 3.38 -0.65 -1.55 115.31 116.62 1f4i h LEU 37 Ca -0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1f4i h LEU 37 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1f4i h LEU 37 CO 0.07 0.47 -1.12 -0.07 0.09 0.00 0.00 178.44 177.89 1f4i h LEU 38 N 0.00 0.00 -0.15 1.67 3.38 -1.14 -3.30 115.31 115.77 1f4i h LEU 38 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1f4i h LEU 38 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1f4i h LEU 38 CO 0.06 0.48 -0.93 0.28 0.09 0.00 0.00 178.44 178.42 1f4i h SER 39 N 0.00 0.00 -2.30 -0.43 0.02 -0.78 -3.41 113.55 106.66 1f4i h SER 39 Ca -0.10 -0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.28 1f4i h SER 39 Cb 1.46 -0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.90 1f4i h SER 39 CO 0.04 0.93 0.99 -1.10 -1.14 0.00 0.00 176.83 176.56 1f4i s GLN 40 N -2.88 3.22 0.07 3.45 -1.52 -0.60 -4.98 119.66 116.41 1f4i s GLN 40 Ca 0.01 -0.48 -0.37 0.00 -1.95 0.00 0.00 55.36 52.56 1f4i s GLN 40 Cb 0.10 -4.32 -0.17 0.00 -0.22 0.00 0.00 33.01 28.40 1f4i s GLN 40 CO 0.81 -2.08 1.31 0.27 -0.25 0.00 0.00 175.29 175.36 1f4i n ASN 41 N 8.93 1.45 -2.72 5.90 0.23 -1.26 -4.93 115.26 122.85 1f4i n ASN 41 Ca 0.05 1.12 -0.01 0.00 -0.53 0.00 0.00 54.58 55.22 1f4i n ASN 41 Cb 0.48 -1.15 0.02 0.00 -2.08 0.00 0.00 39.78 37.05 1f4i n ASN 41 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1f4i s PHE 42 N 0.49 -0.36 -0.46 -2.53 5.36 -1.26 -5.09 117.98 114.13 1f4i s PHE 42 Ca 0.86 -0.03 0.05 0.00 -0.96 0.00 0.00 56.93 56.85 1f4i s PHE 42 Cb -1.00 0.07 0.18 0.00 -0.34 0.00 0.00 43.02 41.93 1f4i s PHE 42 CO 0.49 -0.26 0.53 -0.40 -1.46 0.00 0.00 175.22 174.11 1f4i n ASP 43 N 3.14 -1.88 0.04 6.13 5.68 -1.26 -4.99 116.55 123.41 1f4i n ASP 43 Ca 0.09 -2.64 0.22 0.00 -0.50 0.00 0.00 54.79 51.95 1f4i n ASP 43 Cb 0.64 0.54 0.73 0.00 -1.14 0.00 0.00 41.12 41.89 1f4i n ASP 43 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1f4i h ASP 44 N 5.28 0.00 0.00 -1.12 5.19 -2.03 -3.58 116.42 120.16 1f4i h ASP 44 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1f4i h ASP 44 Cb 1.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.51 1f4i h ASP 44 CO 0.21 0.00 0.00 1.21 -3.12 0.00 0.00 179.24 177.54