#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 0.00 0.33 -1.09 4.07 -1.26 -4.91 120.64 117.78 1f4i n GLU 2 Ca 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.25 1f4i n GLU 2 Cb 0.00 -1.50 0.81 0.00 -0.06 0.00 0.00 31.44 30.68 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 2.82 0.00 -0.01 5.31 5.09 -2.06 -0.63 116.57 127.09 1f4i h LYS 3 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 1f4i h LYS 3 Cb 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.33 1f4i h LYS 3 CO 0.00 0.00 -0.00 1.49 -2.09 0.00 0.00 179.45 178.85 1f4i h GLU 4 N 0.00 0.03 0.00 0.07 4.22 -2.02 -2.43 114.58 114.45 1f4i h GLU 4 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1f4i h GLU 4 Cb 0.64 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1f4i h GLU 4 CO 0.00 0.40 0.00 0.00 -2.18 0.00 0.00 179.01 177.23 1f4i h ALA 5 N 0.63 1.00 -0.18 2.92 0.00 -1.54 -3.22 119.26 118.86 1f4i h ALA 5 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1f4i h ALA 5 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1f4i h ALA 5 CO 0.00 0.00 -0.15 0.82 0.00 0.00 0.00 179.25 179.92 1f4i h ILE 6 N 0.00 1.33 0.00 0.00 2.04 -1.18 0.12 117.51 119.82 1f4i h ILE 6 Ca 0.00 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.58 1f4i h ILE 6 Cb 0.47 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1f4i h ILE 6 CO 0.00 0.39 0.00 1.05 0.00 0.00 0.00 178.15 179.59 1f4i h GLU 7 N 0.09 0.00 0.00 2.37 4.11 -1.54 -0.95 114.58 118.66 1f4i h GLU 7 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 1f4i h GLU 7 Cb 0.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1f4i h GLU 7 CO 0.04 0.00 -0.03 -0.09 0.07 0.00 0.00 179.01 179.00 1f4i h ARG 8 N 0.00 0.00 -0.61 1.06 2.43 -1.43 -1.95 114.38 113.88 1f4i h ARG 8 Ca 0.00 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1f4i h ARG 8 Cb 0.33 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.76 1f4i h ARG 8 CO 0.00 0.24 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.45 1f4i h LEU 9 N -1.00 -0.66 -1.07 3.80 3.38 -0.78 -0.03 115.31 118.95 1f4i h LEU 9 Ca -0.00 0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1f4i h LEU 9 Cb 0.26 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1f4i h LEU 9 CO -0.00 -0.22 0.12 0.11 0.09 0.00 0.00 178.44 178.54 1f4i h LYS 10 N -0.03 0.79 0.00 1.13 1.57 -1.30 -2.63 116.57 116.10 1f4i h LYS 10 Ca 0.29 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1f4i h LYS 10 Cb 0.47 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1f4i h LYS 10 CO -0.64 0.71 0.00 0.00 -0.57 0.00 0.00 179.45 178.95 1f4i h ALA 11 N 1.38 1.00 0.00 3.86 0.00 -0.19 -0.86 119.26 124.44 1f4i h ALA 11 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1f4i h ALA 11 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 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 -3.04 0.00 0.00 0.00 4.32 -0.86 -4.81 117.00 112.61 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 0.57 1.32 0.00 -0.72 0.00 -0.43 -5.10 105.19 100.83 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 -1.57 0.00 -3.62 1.61 3.72 -0.62 -5.07 117.46 111.92 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 4.12 0.76 0.59 -1.08 2.56 -1.26 -4.81 118.70 119.57 1f4i s GLU 15 Ca 0.00 0.81 0.30 0.00 0.00 0.00 0.00 54.97 56.07 1f4i s GLU 15 Cb 0.00 0.37 1.25 0.00 2.00 0.00 0.00 34.13 37.75 1f4i s GLU 15 CO 0.00 -0.11 1.61 1.49 -0.56 0.00 0.00 175.26 177.69 1f4i h GLU 16 N 4.55 0.00 0.00 4.30 4.81 -1.95 0.54 114.58 126.83 1f4i h GLU 16 Ca -0.28 0.00 -0.00 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 0.10 0.00 -0.02 0.77 -0.73 0.00 0.00 179.01 179.13 1f4i h SER 17 N 0.00 0.00 0.68 1.04 0.02 -1.99 -1.00 113.55 112.31 1f4i h SER 17 Ca 0.40 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1f4i h SER 17 Cb 2.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.70 1f4i h SER 17 CO -0.00 0.92 0.00 0.17 -1.14 0.00 0.00 176.83 176.78 1f4i h LEU 18 N -1.00 0.00 0.04 5.07 8.10 -1.53 -1.92 115.31 124.08 1f4i h LEU 18 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 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 -0.00 0.00 -0.02 0.58 -4.11 0.00 0.00 178.44 174.89 1f4i h VAL 19 N 0.00 0.27 -0.15 0.15 2.07 -1.03 -2.13 116.25 115.43 1f4i h VAL 19 Ca 0.00 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1f4i h VAL 19 Cb 0.34 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1f4i h VAL 19 CO 0.00 0.09 0.10 0.40 0.02 0.00 0.00 177.57 178.18 1f4i h ILE 20 N -1.01 1.04 0.00 4.57 1.08 -1.13 0.24 117.51 122.30 1f4i h ILE 20 Ca -0.01 -0.08 -0.04 0.00 -0.39 0.00 0.00 64.86 64.34 1f4i h ILE 20 Cb 0.19 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 1f4i h ILE 20 CO 0.01 0.04 -0.21 -0.61 -0.69 0.00 0.00 178.15 176.69 1f4i h GLN 21 N 0.21 0.00 0.00 2.37 5.75 -1.51 0.21 115.11 122.13 1f4i h GLN 21 Ca 0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1f4i h GLN 21 Cb -0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.53 1f4i h GLN 21 CO -0.01 0.21 -0.25 0.00 -2.65 0.00 0.00 178.83 176.13 1f4i h ALA 22 N 1.79 0.87 0.00 3.38 0.00 -0.66 -1.06 119.26 123.58 1f4i h ALA 22 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1f4i h ALA 22 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1f4i h ALA 22 CO 0.03 0.00 -1.76 0.98 0.00 0.00 0.00 179.25 178.49 1f4i n TYR 23 N -2.88 0.36 -0.05 0.00 9.36 0.77 -3.49 117.16 121.23 1f4i n TYR 23 Ca 0.03 0.11 -0.16 0.00 3.32 0.00 0.00 57.90 61.21 1f4i n TYR 23 Cb 0.52 -0.77 -0.14 0.00 -0.63 0.00 0.00 39.34 38.32 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 -2.53 0.68 0.20 2.98 3.72 0.66 0.17 117.46 123.34 1f4i n PHE 24 Ca -0.09 0.18 0.06 0.00 -0.05 0.00 0.00 57.45 57.55 1f4i n PHE 24 Cb 0.71 -1.10 0.40 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.40 1.11 -0.09 4.37 0.00 -1.39 -2.06 119.26 121.60 1f4i h ALA 25 Ca -0.45 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.15 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 0.03 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1f4i n GLU 27 N -0.23 -1.87 -3.51 0.00 2.13 -0.77 -3.84 120.64 112.54 1f4i n GLU 27 Ca 0.13 0.72 -0.15 0.00 0.66 0.00 0.00 57.16 58.53 1f4i n GLU 27 Cb 0.18 -5.21 -0.02 0.00 0.27 0.00 0.00 31.44 26.66 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 -3.57 -0.86 -0.06 5.31 4.76 0.13 -4.79 118.16 119.06 1f4i n LYS 28 Ca -0.08 -0.13 -0.04 0.00 -2.87 0.00 0.00 58.31 55.19 1f4i n LYS 28 Cb 0.61 -0.85 -0.15 0.00 -1.84 0.00 0.00 35.03 32.80 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 -0.57 0.12 0.00 4.39 2.85 -1.25 -5.02 115.26 115.79 1f4i n ASN 29 Ca -0.08 0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1f4i n ASN 29 Cb 0.24 1.11 0.00 0.00 1.24 0.00 0.00 39.78 42.36 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 -2.66 0.00 0.27 1.20 1.02 -1.26 -4.43 120.64 114.77 1f4i n GLU 30 Ca -0.23 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.05 1f4i n GLU 30 Cb 0.98 0.00 0.75 0.00 -0.02 0.00 0.00 31.44 33.15 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 0.39 1.62 4.21 -1.99 -1.82 115.58 117.99 1f4i h ASN 31 Ca 0.00 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.19 1f4i h ASN 31 Cb 0.00 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.17 1f4i h ASN 31 CO 0.00 0.10 -1.71 0.25 -1.29 0.00 0.00 177.43 174.77 1f4i h LEU 32 N 0.00 0.25 -0.44 1.61 7.12 -1.92 -3.25 115.31 118.68 1f4i h LEU 32 Ca -0.00 -0.46 -0.03 0.00 0.13 0.00 0.00 57.88 57.52 1f4i h LEU 32 Cb 0.37 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.40 1f4i h LEU 32 CO 0.01 1.40 0.17 0.00 -0.13 0.00 0.00 178.44 179.90 1f4i h ALA 33 N 0.56 0.57 -0.38 1.25 0.00 -1.63 -0.19 119.26 119.44 1f4i h ALA 33 Ca -0.30 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1f4i h ALA 33 Cb 2.01 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 1f4i h ALA 33 CO 0.11 0.18 0.08 0.00 0.00 0.00 0.00 179.25 179.62 1f4i h ALA 34 N 1.02 0.41 -0.56 0.00 0.00 -1.51 -1.30 119.26 117.33 1f4i h ALA 34 Ca 0.15 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1f4i h ALA 34 Cb 0.20 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1f4i h ALA 34 CO -0.01 -0.32 0.37 -0.97 0.00 0.00 0.00 179.25 178.32 1f4i h ASN 35 N 0.21 0.41 0.62 0.00 -0.73 -1.41 -0.66 115.58 114.02 1f4i h ASN 35 Ca 0.18 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.33 1f4i h ASN 35 Cb 0.21 -0.08 0.01 0.00 0.27 0.00 0.00 38.32 38.72 1f4i h ASN 35 CO -0.24 0.26 -0.30 0.15 -0.37 0.00 0.00 177.43 176.94 1f4i h PHE 36 N 0.46 -0.77 -0.05 0.67 3.04 0.08 -1.16 116.94 119.21 1f4i h PHE 36 Ca 0.25 -0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.06 1f4i h PHE 36 Cb 0.38 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.13 1f4i h PHE 36 CO -0.00 -0.48 -0.50 -0.07 -2.02 0.00 0.00 178.31 175.24 1f4i h LEU 37 N -0.84 0.13 0.00 0.59 4.07 -0.73 -2.78 115.31 115.75 1f4i h LEU 37 Ca -0.09 -0.06 -0.10 0.00 0.08 0.00 0.00 57.88 57.71 1f4i h LEU 37 Cb 0.64 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 1f4i h LEU 37 CO 0.14 0.62 -0.64 -0.07 -1.08 0.00 0.00 178.44 177.40 1f4i h LEU 38 N 0.10 0.00 -1.39 1.67 3.38 -1.19 -3.10 115.31 114.78 1f4i h LEU 38 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1f4i h LEU 38 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1f4i h LEU 38 CO 0.07 0.46 -0.22 -1.28 0.09 0.00 0.00 178.44 177.56 1f4i h SER 39 N 0.00 0.00 -1.22 -0.43 0.87 -0.92 -3.35 113.55 108.50 1f4i h SER 39 Ca -0.03 0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 59.82 1f4i h SER 39 Cb 1.38 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.22 1f4i h SER 39 CO 0.05 0.22 2.03 0.00 -0.53 0.00 0.00 176.83 178.61 1f4i n GLN 40 N -3.55 3.25 -1.68 2.24 6.02 -1.15 -4.97 117.38 117.54 1f4i n GLN 40 Ca -0.01 -3.40 -0.45 0.00 -0.01 0.00 0.00 57.00 53.13 1f4i n GLN 40 Cb 0.37 -3.29 -0.03 0.00 1.02 0.00 0.00 30.24 28.31 1f4i n GLN 40 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1f4i n ASN 41 N 6.90 3.05 -3.65 1.08 5.03 -1.26 -4.96 115.26 121.46 1f4i n ASN 41 Ca 0.45 1.11 0.01 0.00 0.87 0.00 0.00 54.58 57.02 1f4i n ASN 41 Cb 0.43 -1.45 -0.06 0.00 -1.02 0.00 0.00 39.78 37.68 1f4i n ASN 41 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1f4i s PHE 42 N 0.44 -0.17 0.00 3.10 5.36 -1.26 -4.96 117.98 120.49 1f4i s PHE 42 Ca 0.73 0.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 1f4i s PHE 42 Cb -0.64 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.14 1f4i s PHE 42 CO 0.43 -0.09 0.00 -3.47 -1.46 0.00 0.00 175.22 170.64 1f4i n ASP 43 N 3.21 0.00 -3.86 6.13 2.03 -1.26 -3.89 116.55 118.91 1f4i n ASP 43 Ca -0.17 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.89 1f4i n ASP 43 Cb 0.56 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1f4i n ASP 43 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1f4i n ASP 44 N 0.00 -0.97 0.00 1.67 9.92 -1.26 -5.33 116.55 120.57 1f4i n ASP 44 Ca 0.00 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 1f4i n ASP 44 Cb 0.00 -3.49 0.00 0.00 -0.64 0.00 0.00 41.12 36.99 1f4i n ASP 44 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54