#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 2.69 0.26 2.61 0.00 -1.26 -4.51 120.64 120.43 1f4i n GLU 2 Ca 0.00 -2.53 0.17 0.00 0.00 0.00 0.00 57.16 54.80 1f4i n GLU 2 Cb 0.00 -1.53 0.78 0.00 0.00 0.00 0.00 31.44 30.69 1f4i n GLU 2 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1f4i h LYS 3 N 4.06 0.00 -0.49 3.44 1.57 -2.05 -1.86 116.57 121.24 1f4i h LYS 3 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1f4i h LYS 3 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1f4i h LYS 3 CO 0.00 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.81 1f4i h GLU 4 N 0.00 0.86 0.00 3.15 5.08 -2.03 -2.06 114.58 119.58 1f4i h GLU 4 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1f4i h GLU 4 Cb 0.31 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1f4i h GLU 4 CO 0.00 0.90 0.00 0.00 -1.00 0.00 0.00 179.01 178.91 1f4i h ALA 5 N 0.93 1.00 -0.07 3.43 0.00 -1.68 -3.28 119.26 119.59 1f4i h ALA 5 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1f4i h ALA 5 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1f4i h ALA 5 CO 0.02 0.00 -0.01 0.82 0.00 0.00 0.00 179.25 180.08 1f4i h ILE 6 N 0.00 1.28 0.00 0.00 2.04 -1.22 0.11 117.51 119.72 1f4i h ILE 6 Ca 0.00 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1f4i h ILE 6 Cb 0.64 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1f4i h ILE 6 CO 0.00 0.25 0.00 1.05 0.00 0.00 0.00 178.15 179.45 1f4i h GLU 7 N -0.20 0.00 0.01 2.37 4.11 -1.66 -0.18 114.58 119.03 1f4i h GLU 7 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 1f4i h GLU 7 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1f4i h GLU 7 CO 0.01 0.00 -0.00 -0.09 0.07 0.00 0.00 179.01 178.99 1f4i h ARG 8 N 0.00 -0.01 -0.62 1.06 2.43 -1.45 -1.75 114.38 114.04 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 0.37 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 1f4i h ARG 8 CO 0.00 0.57 0.31 -0.07 -1.51 0.00 0.00 179.97 179.27 1f4i h LEU 9 N -0.99 0.42 -1.08 3.80 3.38 -0.72 -1.02 115.31 119.10 1f4i h LEU 9 Ca -0.00 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1f4i h LEU 9 Cb 0.59 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1f4i h LEU 9 CO 0.00 0.27 -0.11 0.11 0.09 0.00 0.00 178.44 178.81 1f4i h LYS 10 N 0.57 0.53 0.00 1.13 1.79 -1.14 -2.82 116.57 116.62 1f4i h LYS 10 Ca 0.29 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1f4i h LYS 10 Cb 0.24 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1f4i h LYS 10 CO -0.21 0.63 0.00 0.00 -1.08 0.00 0.00 179.45 178.79 1f4i h ALA 11 N 1.40 1.00 0.00 3.86 0.00 -0.24 -0.85 119.26 124.44 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 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1f4i h ALA 11 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1f4i n LEU 12 N -2.86 0.00 0.00 0.00 4.32 -1.04 -4.83 117.00 112.59 1f4i n LEU 12 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 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 0.23 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.01 1f4i n GLY 13 N 0.63 1.43 0.00 -0.72 0.00 -0.40 -5.10 105.19 101.03 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 -1.56 0.00 -3.66 1.61 3.72 -0.76 -5.08 117.46 111.74 1f4i n PHE 14 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1f4i n PHE 14 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 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 4.55 0.69 0.64 -1.08 2.56 -1.26 -4.86 118.70 119.93 1f4i s GLU 15 Ca 0.00 0.93 0.20 0.00 0.00 0.00 0.00 54.97 56.10 1f4i s GLU 15 Cb 0.00 0.27 1.01 0.00 2.00 0.00 0.00 34.13 37.41 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 5.75 0.00 0.00 4.30 4.22 -1.95 0.13 114.58 127.03 1f4i h GLU 16 Ca -0.30 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.13 1f4i h GLU 16 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1f4i h GLU 16 CO 0.14 0.00 -0.10 0.77 -2.18 0.00 0.00 179.01 177.64 1f4i h SER 17 N 0.00 0.00 0.75 1.04 0.02 -1.97 -1.46 113.55 111.92 1f4i h SER 17 Ca 0.11 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1f4i h SER 17 Cb 1.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.03 1f4i h SER 17 CO -0.00 0.94 0.00 0.17 -1.14 0.00 0.00 176.83 176.80 1f4i h LEU 18 N -1.00 0.00 0.32 5.07 8.10 -1.39 -2.17 115.31 124.24 1f4i h LEU 18 Ca -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.95 1f4i h LEU 18 Cb 0.83 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.05 1f4i h LEU 18 CO -0.02 0.00 -0.15 0.58 -4.11 0.00 0.00 178.44 174.74 1f4i h VAL 19 N 0.00 0.25 -0.12 0.15 2.07 -0.94 -1.52 116.25 116.14 1f4i h VAL 19 Ca 0.00 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1f4i h VAL 19 Cb 0.37 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1f4i h VAL 19 CO 0.00 0.06 -0.03 0.40 0.02 0.00 0.00 177.57 178.02 1f4i h ILE 20 N -1.05 0.88 0.00 4.57 1.08 -1.10 0.35 117.51 122.23 1f4i h ILE 20 Ca -0.04 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.36 1f4i h ILE 20 Cb 0.43 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1f4i h ILE 20 CO 0.07 0.00 -0.31 1.56 -0.69 0.00 0.00 178.15 178.78 1f4i h GLN 21 N -0.00 0.00 0.00 2.37 4.20 -1.54 0.26 115.11 120.39 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 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1f4i h GLN 21 CO -0.12 0.31 0.00 0.00 -0.67 0.00 0.00 178.83 178.34 1f4i h ALA 22 N 1.69 1.00 0.00 3.87 0.00 -0.38 -1.46 119.26 123.98 1f4i h ALA 22 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1f4i h ALA 22 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1f4i h ALA 22 CO 0.04 0.00 -2.17 0.98 0.00 0.00 0.00 179.25 178.10 1f4i n TYR 23 N -2.53 0.10 0.00 0.00 9.36 0.11 -3.68 117.16 120.52 1f4i n TYR 23 Ca 0.05 0.03 -0.20 0.00 3.32 0.00 0.00 57.90 61.10 1f4i n TYR 23 Cb 0.45 -0.85 -0.14 0.00 -0.63 0.00 0.00 39.34 38.18 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 -2.60 1.22 0.21 2.98 3.72 0.84 0.50 117.46 124.32 1f4i n PHE 24 Ca -0.21 0.27 0.07 0.00 -0.05 0.00 0.00 57.45 57.53 1f4i n PHE 24 Cb 0.94 -1.16 0.43 0.00 -0.94 0.00 0.00 39.48 38.74 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 0.17 1.14 -0.06 4.37 0.00 -1.47 -2.08 119.26 121.33 1f4i h ALA 25 Ca -0.41 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.21 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 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1f4i n GLU 27 N -0.41 -2.27 -3.92 0.00 2.13 -0.78 -3.83 120.64 111.56 1f4i n GLU 27 Ca 0.14 0.76 -0.29 0.00 0.66 0.00 0.00 57.16 58.42 1f4i n GLU 27 Cb 0.15 -5.40 -0.02 0.00 0.27 0.00 0.00 31.44 26.43 1f4i n GLU 27 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1f4i n LYS 28 N -3.53 -0.64 0.00 5.31 4.76 0.18 -4.92 118.16 119.32 1f4i n LYS 28 Ca -0.09 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 1f4i n LYS 28 Cb 0.62 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 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 -1.51 0.00 0.00 4.39 2.85 -1.25 -5.08 115.26 114.66 1f4i n ASN 29 Ca -0.14 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1f4i n ASN 29 Cb 0.43 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.45 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 0.30 1.20 1.02 -1.26 -4.74 120.64 117.16 1f4i n GLU 30 Ca 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.32 1f4i n GLU 30 Cb 0.00 0.00 0.96 0.00 -0.02 0.00 0.00 31.44 32.38 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 0.06 1.62 2.35 -2.00 -1.63 115.58 115.98 1f4i h ASN 31 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1f4i h ASN 31 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 1f4i h ASN 31 CO 0.00 0.03 -0.49 0.25 -1.65 0.00 0.00 177.43 175.57 1f4i h LEU 32 N 0.00 0.33 -0.22 1.61 7.12 -1.93 -2.35 115.31 119.87 1f4i h LEU 32 Ca -0.00 -0.89 0.00 0.00 0.13 0.00 0.00 57.88 57.12 1f4i h LEU 32 Cb 0.14 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.15 1f4i h LEU 32 CO 0.00 1.19 0.14 0.00 -0.13 0.00 0.00 178.44 179.64 1f4i h ALA 33 N 0.14 0.27 -0.34 1.25 0.00 -1.66 0.10 119.26 119.03 1f4i h ALA 33 Ca -0.08 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1f4i h ALA 33 Cb 1.32 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1f4i h ALA 33 CO 0.09 -0.26 0.10 0.00 0.00 0.00 0.00 179.25 179.19 1f4i h ALA 34 N 1.09 0.38 -0.79 0.00 0.00 -1.43 -1.11 119.26 117.39 1f4i h ALA 34 Ca 0.08 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1f4i h ALA 34 Cb -0.02 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1f4i h ALA 34 CO -0.03 -0.29 0.52 -0.97 0.00 0.00 0.00 179.25 178.48 1f4i h ASN 35 N 0.24 0.69 0.45 0.00 -0.73 -0.81 -0.70 115.58 114.71 1f4i h ASN 35 Ca 0.15 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 1f4i h ASN 35 Cb 0.14 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1f4i h ASN 35 CO -0.17 0.42 -0.22 0.15 -0.37 0.00 0.00 177.43 177.25 1f4i h PHE 36 N 0.77 -0.56 0.00 0.67 3.04 0.17 -0.07 116.94 120.96 1f4i h PHE 36 Ca 0.36 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.22 1f4i h PHE 36 Cb 0.38 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.06 1f4i h PHE 36 CO -0.00 -0.35 -0.37 -0.07 -2.02 0.00 0.00 178.31 175.50 1f4i h LEU 37 N -0.61 0.00 0.00 0.59 4.07 -0.48 -2.08 115.31 116.80 1f4i h LEU 37 Ca -0.06 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.74 1f4i h LEU 37 Cb 0.47 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.18 1f4i h LEU 37 CO 0.10 0.37 -1.19 -0.07 -1.08 0.00 0.00 178.44 176.57 1f4i h LEU 38 N 0.00 0.00 -0.26 1.67 3.38 -1.15 -3.31 115.31 115.64 1f4i h LEU 38 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1f4i h LEU 38 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1f4i h LEU 38 CO 0.05 0.58 -0.89 0.28 0.09 0.00 0.00 178.44 178.55 1f4i h SER 39 N 0.00 0.33 -1.98 -0.43 0.02 -0.72 -3.42 113.55 107.35 1f4i h SER 39 Ca -0.12 -0.26 -0.50 0.00 -0.84 0.00 0.00 61.79 60.06 1f4i h SER 39 Cb 1.55 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.94 1f4i h SER 39 CO 0.05 1.06 1.25 -1.10 -1.14 0.00 0.00 176.83 176.96 1f4i s GLN 40 N -3.23 2.78 0.26 3.45 1.11 -0.81 -4.93 119.66 118.29 1f4i s GLN 40 Ca -0.04 0.31 -0.31 0.00 0.01 0.00 0.00 55.36 55.33 1f4i s GLN 40 Cb 0.10 -4.40 -0.12 0.00 -1.01 0.00 0.00 33.01 27.58 1f4i s GLN 40 CO 0.84 -2.62 1.62 0.09 0.01 0.00 0.00 175.29 175.23 1f4i n ASN 41 N 11.92 3.77 -3.65 5.90 4.13 -1.26 -4.98 115.26 131.10 1f4i n ASN 41 Ca 0.18 1.12 0.02 0.00 1.68 0.00 0.00 54.58 57.57 1f4i n ASN 41 Cb 0.51 -1.57 -0.06 0.00 -1.54 0.00 0.00 39.78 37.12 1f4i n ASN 41 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1f4i s PHE 42 N 0.37 -0.10 -0.58 3.10 5.36 -1.26 -4.97 117.98 119.91 1f4i s PHE 42 Ca 0.68 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 1f4i s PHE 42 Cb -0.52 0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.23 1f4i s PHE 42 CO 0.43 -0.05 0.00 -3.47 -1.46 0.00 0.00 175.22 170.68 1f4i n ASP 43 N 3.06 -5.11 0.00 6.13 2.03 -1.26 -4.80 116.55 116.60 1f4i n ASP 43 Ca -0.17 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1f4i n ASP 43 Cb 0.56 -3.09 0.00 0.00 -0.72 0.00 0.00 41.12 37.88 1f4i n ASP 43 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1f4i n ASP 44 N -0.66 0.00 0.00 1.67 5.68 -1.26 -5.34 116.55 116.64 1f4i n ASP 44 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1f4i n ASP 44 Cb 0.42 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1f4i n ASP 44 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08