#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 0.63 0.13 -1.09 0.00 -1.26 -4.77 120.64 114.29 1f4i n GLU 2 Ca 0.00 -0.33 0.19 0.00 0.00 0.00 0.00 57.16 57.02 1f4i n GLU 2 Cb 0.00 -0.81 0.69 0.00 0.00 0.00 0.00 31.44 31.31 1f4i n GLU 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 1f4i h LYS 3 N 0.00 0.00 -0.01 3.44 2.10 -2.04 0.50 116.57 120.56 1f4i h LYS 3 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1f4i h LYS 3 Cb 0.06 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1f4i h LYS 3 CO 0.00 0.00 0.01 0.93 -2.00 0.00 0.00 179.45 178.39 1f4i h GLU 4 N 0.00 0.02 0.00 0.07 5.08 -2.02 -2.37 114.58 115.35 1f4i h GLU 4 Ca 0.17 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1f4i h GLU 4 Cb 1.25 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1f4i h GLU 4 CO -0.00 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.17 1f4i h ALA 5 N 0.86 1.00 -0.29 3.43 0.00 -1.28 -3.26 119.26 119.72 1f4i h ALA 5 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1f4i h ALA 5 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1f4i h ALA 5 CO -0.00 0.00 0.04 0.82 0.00 0.00 0.00 179.25 180.10 1f4i h ILE 6 N 0.00 1.24 0.00 0.00 2.04 -0.99 0.12 117.51 119.92 1f4i h ILE 6 Ca 0.00 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1f4i h ILE 6 Cb 0.52 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1f4i h ILE 6 CO 0.00 0.27 0.00 1.05 0.00 0.00 0.00 178.15 179.47 1f4i h GLU 7 N 0.31 0.00 0.00 2.37 4.11 -1.58 -0.70 114.58 119.09 1f4i h GLU 7 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.52 1f4i h GLU 7 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1f4i h GLU 7 CO 0.01 0.00 -0.00 -0.09 0.07 0.00 0.00 179.01 179.00 1f4i h ARG 8 N 0.00 -0.00 -0.68 1.06 2.43 -1.44 -0.79 114.38 114.96 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 0.45 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.92 1f4i h ARG 8 CO 0.00 0.67 0.25 -0.07 -1.51 0.00 0.00 179.97 179.31 1f4i h LEU 9 N -1.00 0.23 -0.89 3.80 3.38 -0.76 -0.26 115.31 119.81 1f4i h LEU 9 Ca -0.00 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1f4i h LEU 9 Cb 0.67 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1f4i h LEU 9 CO 0.00 0.11 -0.26 0.11 0.09 0.00 0.00 178.44 178.49 1f4i h LYS 10 N 0.41 0.51 0.00 1.13 1.79 -1.21 -2.93 116.57 116.28 1f4i h LYS 10 Ca 0.36 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1f4i h LYS 10 Cb 0.49 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1f4i h LYS 10 CO -0.36 0.73 0.00 0.00 -1.08 0.00 0.00 179.45 178.75 1f4i h ALA 11 N 1.27 1.00 0.00 3.86 0.00 0.49 -1.00 119.26 124.88 1f4i h ALA 11 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1f4i h ALA 11 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1f4i h ALA 11 CO 0.05 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1f4i n LEU 12 N -2.78 0.00 0.00 0.00 4.32 -0.88 -4.82 117.00 112.85 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 0.22 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.00 1f4i n GLY 13 N 0.56 1.52 0.00 -0.72 0.00 -0.46 -5.10 105.19 100.99 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 -1.46 0.00 -3.65 1.61 3.72 -0.70 -4.77 117.46 112.21 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 4.42 0.73 0.60 -1.08 2.12 -1.26 -4.87 118.70 119.36 1f4i s GLU 15 Ca 0.00 0.99 0.27 0.00 0.36 0.00 0.00 54.97 56.60 1f4i s GLU 15 Cb 0.00 0.28 1.09 0.00 0.26 0.00 0.00 34.13 35.77 1f4i s GLU 15 CO 0.00 -0.11 1.48 1.49 -0.54 0.00 0.00 175.26 177.58 1f4i h GLU 16 N 5.75 0.00 0.01 4.30 4.81 -1.94 0.13 114.58 127.64 1f4i h GLU 16 Ca -0.30 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1f4i h GLU 16 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1f4i h GLU 16 CO 0.12 0.00 -0.01 0.77 -0.73 0.00 0.00 179.01 179.17 1f4i h SER 17 N 0.00 -0.01 0.65 1.04 0.02 -1.98 -0.80 113.55 112.47 1f4i h SER 17 Ca 0.40 -0.69 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1f4i h SER 17 Cb 2.40 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.94 1f4i h SER 17 CO -0.00 0.81 -0.00 0.17 -1.14 0.00 0.00 176.83 176.67 1f4i h LEU 18 N -0.97 0.00 0.15 5.07 8.10 -1.33 -2.00 115.31 124.32 1f4i h LEU 18 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1f4i h LEU 18 Cb 0.70 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.93 1f4i h LEU 18 CO 0.00 0.00 -0.07 0.58 -4.11 0.00 0.00 178.44 174.85 1f4i h VAL 19 N 0.00 0.85 0.42 0.15 2.07 -0.91 -1.80 116.25 117.03 1f4i h VAL 19 Ca -0.00 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1f4i h VAL 19 Cb 0.33 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1f4i h VAL 19 CO 0.00 0.23 -0.20 0.40 0.02 0.00 0.00 177.57 178.02 1f4i h ILE 20 N -0.87 0.59 0.00 4.57 2.04 -0.96 0.20 117.51 123.07 1f4i h ILE 20 Ca -0.02 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1f4i h ILE 20 Cb 0.53 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1f4i h ILE 20 CO 0.03 0.01 0.00 1.56 0.00 0.00 0.00 178.15 179.75 1f4i h GLN 21 N -0.58 0.00 0.00 2.37 4.20 -1.50 0.53 115.11 120.13 1f4i h GLN 21 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1f4i h GLN 21 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1f4i h GLN 21 CO 0.09 0.00 -0.90 0.00 -0.67 0.00 0.00 178.83 177.35 1f4i n ALA 22 N -1.96 3.07 0.45 3.87 0.00 -0.67 -2.84 120.51 122.42 1f4i n ALA 22 Ca -0.01 -0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.15 1f4i n ALA 22 Cb 0.12 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1f4i n ALA 22 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1f4i n TYR 23 N -2.13 0.00 -0.09 0.00 9.36 0.63 -3.91 117.16 121.01 1f4i n TYR 23 Ca 0.02 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.10 1f4i n TYR 23 Cb 0.46 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.09 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 -0.59 0.00 0.18 2.98 3.01 0.16 -0.30 117.46 122.90 1f4i n PHE 24 Ca 0.03 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.53 1f4i n PHE 24 Cb 0.19 -0.69 0.31 0.00 -0.01 0.00 0.00 39.48 39.28 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 -0.11 1.04 -0.04 4.37 0.00 -1.70 -2.00 119.26 120.81 1f4i h ALA 25 Ca -0.41 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1f4i h ALA 25 Cb 1.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1f4i h ALA 25 CO -0.10 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1f4i n GLU 27 N -0.49 -1.84 -3.96 0.00 2.13 -0.75 -3.73 120.64 112.01 1f4i n GLU 27 Ca 0.14 0.79 -0.32 0.00 0.66 0.00 0.00 57.16 58.43 1f4i n GLU 27 Cb 0.13 -5.24 -0.00 0.00 0.27 0.00 0.00 31.44 26.60 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 -3.41 -0.54 -0.03 5.31 4.01 0.58 -4.93 118.16 119.15 1f4i n LYS 28 Ca -0.08 -0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.65 1f4i n LYS 28 Cb 0.60 -1.71 0.00 0.00 -0.51 0.00 0.00 35.03 33.41 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 -1.41 0.35 0.00 4.39 2.85 -1.24 -5.09 115.26 115.10 1f4i n ASN 29 Ca -0.11 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1f4i n ASN 29 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 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 -0.02 0.00 0.32 1.20 1.02 -1.26 -4.58 120.64 117.31 1f4i n GLU 30 Ca 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.33 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 0.04 1.62 4.21 -2.00 -1.73 115.58 117.73 1f4i h ASN 31 Ca 0.00 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.39 1f4i h ASN 31 Cb 0.00 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1f4i h ASN 31 CO 0.00 0.01 -0.51 0.25 -1.29 0.00 0.00 177.43 175.89 1f4i h LEU 32 N 0.00 0.37 -0.35 1.61 6.46 -1.94 -1.96 115.31 119.50 1f4i h LEU 32 Ca -0.00 -0.85 -0.05 0.00 -0.12 0.00 0.00 57.88 56.86 1f4i h LEU 32 Cb 0.05 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1f4i h LEU 32 CO 0.00 1.18 0.03 0.00 -0.62 0.00 0.00 178.44 179.03 1f4i h ALA 33 N 0.20 0.47 -0.33 1.25 0.00 -1.59 0.31 119.26 119.57 1f4i h ALA 33 Ca -0.08 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1f4i h ALA 33 Cb 1.30 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1f4i h ALA 33 CO 0.10 0.20 0.09 0.00 0.00 0.00 0.00 179.25 179.64 1f4i h ALA 34 N 0.88 0.36 -0.51 0.00 0.00 -1.46 -1.51 119.26 117.03 1f4i h ALA 34 Ca 0.10 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1f4i h ALA 34 Cb 0.40 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1f4i h ALA 34 CO 0.01 -0.32 0.34 -0.97 0.00 0.00 0.00 179.25 178.31 1f4i h ASN 35 N 0.21 0.41 0.14 0.00 -0.73 -0.80 -0.44 115.58 114.36 1f4i h ASN 35 Ca 0.15 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 1f4i h ASN 35 Cb 0.15 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1f4i h ASN 35 CO -0.18 0.27 -0.07 0.15 -0.37 0.00 0.00 177.43 177.23 1f4i h PHE 36 N 0.47 -0.17 0.00 0.67 3.04 -0.01 -1.28 116.94 119.65 1f4i h PHE 36 Ca 0.22 -0.00 -0.13 0.00 3.98 0.00 0.00 57.97 62.03 1f4i h PHE 36 Cb 0.27 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1f4i h PHE 36 CO -0.00 0.02 -0.63 -0.07 -2.02 0.00 0.00 178.31 175.61 1f4i h LEU 37 N -0.34 0.00 0.00 0.59 3.38 -0.63 -2.50 115.31 115.81 1f4i h LEU 37 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1f4i h LEU 37 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1f4i h LEU 37 CO 0.03 0.63 -1.00 -0.07 0.09 0.00 0.00 178.44 178.13 1f4i h LEU 38 N 0.00 0.00 -0.40 1.67 3.38 -1.14 -3.26 115.31 115.56 1f4i h LEU 38 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1f4i h LEU 38 Cb 1.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1f4i h LEU 38 CO 0.08 0.56 -0.67 -1.28 0.09 0.00 0.00 178.44 177.22 1f4i h SER 39 N 0.00 0.00 -0.98 -0.43 0.87 -1.10 -3.36 113.55 108.55 1f4i h SER 39 Ca -0.09 0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.75 1f4i h SER 39 Cb 1.51 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.36 1f4i h SER 39 CO 0.06 0.67 2.29 0.00 -0.53 0.00 0.00 176.83 179.33 1f4i n GLN 40 N -3.48 3.25 -1.60 2.24 1.13 -0.95 -4.98 117.38 112.98 1f4i n GLN 40 Ca 0.00 -3.24 -0.57 0.00 -1.94 0.00 0.00 57.00 51.25 1f4i n GLN 40 Cb 0.73 -3.18 -0.07 0.00 0.11 0.00 0.00 30.24 27.83 1f4i n GLN 40 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1f4i n ASN 41 N 5.80 1.28 -3.64 1.08 0.23 -1.26 -4.95 115.26 113.81 1f4i n ASN 41 Ca 0.45 1.13 -0.04 0.00 -0.53 0.00 0.00 54.58 55.59 1f4i n ASN 41 Cb 0.40 -1.07 -0.05 0.00 -2.08 0.00 0.00 39.78 36.98 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 1.18 -0.10 0.02 -2.53 5.36 -1.26 -5.18 117.98 115.47 1f4i s PHE 42 Ca 0.91 0.20 0.03 0.00 -0.96 0.00 0.00 56.93 57.11 1f4i s PHE 42 Cb -1.12 0.48 -0.04 0.00 -0.34 0.00 0.00 43.02 42.01 1f4i s PHE 42 CO 0.57 -0.08 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.71 1f4i s ASP 43 N -0.67 4.87 0.20 6.13 1.01 -1.26 -5.04 116.67 121.91 1f4i s ASP 43 Ca 0.07 -0.10 -0.20 0.00 0.71 0.00 0.00 52.55 53.03 1f4i s ASP 43 Cb -0.02 -1.19 0.16 0.00 1.01 0.00 0.00 42.92 42.88 1f4i s ASP 43 CO -0.09 0.26 1.57 0.44 0.21 0.00 0.00 175.17 177.57 1f4i h ASP 44 N 4.27 -1.28 0.00 0.27 5.19 -2.01 -3.54 116.42 119.33 1f4i h ASP 44 Ca -0.49 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1f4i h ASP 44 Cb 1.17 0.65 0.00 0.00 0.18 0.00 0.00 39.33 41.33 1f4i h ASP 44 CO 0.56 -0.30 0.00 1.21 -3.12 0.00 0.00 179.24 177.59