#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 2.10 0.31 2.61 0.00 -1.26 -4.43 120.64 119.97 1f4i n GLU 2 Ca 0.00 -1.66 0.19 0.00 0.00 0.00 0.00 57.16 55.69 1f4i n GLU 2 Cb 0.00 -1.45 0.98 0.00 0.00 0.00 0.00 31.44 30.97 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 3.35 0.00 -0.44 3.44 -0.00 -2.05 -0.10 116.57 120.77 1f4i h LYS 3 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.62 1f4i h LYS 3 Cb 0.73 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.95 1f4i h LYS 3 CO 0.00 0.00 0.15 0.93 -0.00 0.00 0.00 179.45 180.53 1f4i h GLU 4 N 0.00 0.67 0.00 0.07 4.39 -2.02 -1.93 114.58 115.76 1f4i h GLU 4 Ca 0.02 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1f4i h GLU 4 Cb 0.38 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1f4i h GLU 4 CO -0.00 0.64 0.00 0.00 -1.16 0.00 0.00 179.01 178.49 1f4i n ALA 5 N -2.33 2.03 0.22 3.43 0.00 -0.07 -3.41 120.51 120.38 1f4i n ALA 5 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.58 1f4i n ALA 5 Cb 0.17 -1.44 0.30 0.00 0.00 0.00 0.00 19.45 18.48 1f4i n ALA 5 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1f4i h ILE 6 N 0.00 0.24 0.00 0.00 2.04 -1.15 0.16 117.51 118.81 1f4i h ILE 6 Ca 0.00 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1f4i h ILE 6 Cb 0.59 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1f4i h ILE 6 CO 0.00 0.12 -0.73 1.05 0.00 0.00 0.00 178.15 178.59 1f4i h GLU 7 N 0.00 0.00 0.00 2.37 4.11 -1.56 -2.91 114.58 116.59 1f4i h GLU 7 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1f4i h GLU 7 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1f4i h GLU 7 CO 0.02 0.00 -0.54 -0.09 0.07 0.00 0.00 179.01 178.46 1f4i h ARG 8 N 0.00 0.00 -0.42 1.06 2.43 -1.42 -1.87 114.38 114.16 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 0.78 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.28 1f4i h ARG 8 CO 0.00 0.59 0.09 -0.07 -1.51 0.00 0.00 179.97 179.07 1f4i h LEU 9 N -1.00 0.03 -1.23 3.80 3.38 -0.89 -0.71 115.31 118.68 1f4i h LEU 9 Ca -0.12 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1f4i h LEU 9 Cb 0.81 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1f4i h LEU 9 CO -0.07 0.05 -0.04 0.11 0.09 0.00 0.00 178.44 178.58 1f4i h LYS 10 N 0.23 0.48 0.00 1.13 1.57 -1.65 -2.81 116.57 115.51 1f4i h LYS 10 Ca 0.21 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1f4i h LYS 10 Cb 0.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1f4i h LYS 10 CO -0.26 0.54 0.00 0.00 -0.57 0.00 0.00 179.45 179.16 1f4i h ALA 11 N 1.51 1.00 0.00 3.86 0.00 -0.26 -0.43 119.26 124.94 1f4i h ALA 11 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1f4i h ALA 11 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1f4i h ALA 11 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1f4i n LEU 12 N -2.96 0.00 0.00 0.00 4.32 -1.01 -4.81 117.00 112.54 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 0.18 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 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 0.54 1.54 0.00 -0.72 0.00 -0.25 -5.09 105.19 101.21 1f4i n GLY 13 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.60 0.00 -3.63 1.61 3.72 -0.70 -4.94 117.46 111.92 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 0.05 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.52 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 4.26 0.79 0.66 -1.08 2.12 -1.26 -4.85 118.70 119.34 1f4i s GLU 15 Ca 0.00 0.89 0.24 0.00 0.36 0.00 0.00 54.97 56.46 1f4i s GLU 15 Cb 0.00 0.38 1.29 0.00 0.26 0.00 0.00 34.13 36.06 1f4i s GLU 15 CO 0.00 -0.10 1.73 1.49 -0.54 0.00 0.00 175.26 177.83 1f4i h GLU 16 N 4.76 0.00 0.00 4.30 4.81 -1.95 0.37 114.58 126.86 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 0.08 0.00 -0.07 0.77 -0.73 0.00 0.00 179.01 179.06 1f4i h SER 17 N 0.00 0.00 0.25 1.04 0.02 -1.97 -1.41 113.55 111.49 1f4i h SER 17 Ca 0.01 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1f4i h SER 17 Cb 0.96 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1f4i h SER 17 CO -0.00 0.72 -0.00 0.17 -1.14 0.00 0.00 176.83 176.57 1f4i h LEU 18 N -1.00 0.00 0.28 5.07 -0.00 -1.51 -1.69 115.31 116.46 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 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1f4i h LEU 18 CO -0.01 0.00 -0.13 0.58 -0.00 0.00 0.00 178.44 178.88 1f4i h VAL 19 N 0.00 0.00 -0.22 0.15 2.07 -1.10 -1.16 116.25 115.99 1f4i h VAL 19 Ca -0.00 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1f4i h VAL 19 Cb 0.13 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 1f4i h VAL 19 CO 0.00 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 177.98 1f4i h ILE 20 N -0.96 0.83 0.00 4.57 1.08 -1.03 0.37 117.51 122.37 1f4i h ILE 20 Ca -0.04 -0.02 -0.04 0.00 -0.39 0.00 0.00 64.86 64.37 1f4i h ILE 20 Cb 0.29 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 1f4i h ILE 20 CO 0.06 0.01 -0.19 1.56 -0.69 0.00 0.00 178.15 178.91 1f4i h GLN 21 N 0.05 0.00 0.00 2.37 4.20 -1.45 0.39 115.11 120.67 1f4i h GLN 21 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1f4i h GLN 21 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1f4i h GLN 21 CO -0.19 0.19 -0.25 0.00 -0.67 0.00 0.00 178.83 177.90 1f4i n ALA 22 N -2.34 2.78 0.23 3.87 0.00 -0.33 -1.32 120.51 123.40 1f4i n ALA 22 Ca -0.02 -0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.31 1f4i n ALA 22 Cb 0.29 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.74 0.00 -0.13 0.00 9.36 0.11 -3.88 117.16 120.90 1f4i n TYR 23 Ca 0.06 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.09 1f4i n TYR 23 Cb 0.37 -0.22 -0.11 0.00 -0.63 0.00 0.00 39.34 38.74 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 -1.79 0.00 0.20 2.98 3.01 0.13 -0.22 117.46 121.77 1f4i n PHE 24 Ca -0.01 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.52 1f4i n PHE 24 Cb 0.33 -0.97 0.39 0.00 -0.01 0.00 0.00 39.48 39.22 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 -0.10 1.04 -0.07 4.37 0.00 -1.40 -1.88 119.26 121.21 1f4i h ALA 25 Ca -0.58 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1f4i h ALA 25 Cb 1.85 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1f4i h ALA 25 CO -0.12 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1f4i n GLU 27 N -0.30 -1.79 -3.40 0.00 4.07 -0.71 -3.54 120.64 114.97 1f4i n GLU 27 Ca 0.14 0.73 -0.14 0.00 -0.06 0.00 0.00 57.16 57.83 1f4i n GLU 27 Cb 0.17 -5.12 -0.02 0.00 -0.06 0.00 0.00 31.44 26.41 1f4i n GLU 27 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1f4i n LYS 28 N -3.54 -0.90 -0.01 5.31 4.01 0.69 -4.78 118.16 118.94 1f4i n LYS 28 Ca -0.08 -0.08 -0.00 0.00 -0.51 0.00 0.00 58.31 57.64 1f4i n LYS 28 Cb 0.60 -1.01 -0.12 0.00 -0.51 0.00 0.00 35.03 33.99 1f4i n LYS 28 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1f4i n ASN 29 N -0.67 0.45 0.00 4.39 4.13 -1.23 -5.00 115.26 117.33 1f4i n ASN 29 Ca -0.10 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1f4i n ASN 29 Cb 0.24 0.77 0.00 0.00 -1.54 0.00 0.00 39.78 39.26 1f4i n ASN 29 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1f4i n GLU 30 N -2.72 0.00 0.28 3.52 4.71 -1.26 -4.35 120.64 120.83 1f4i n GLU 30 Ca -0.14 0.00 0.16 0.00 -0.01 0.00 0.00 57.16 57.16 1f4i n GLU 30 Cb 0.86 0.00 0.81 0.00 -1.01 0.00 0.00 31.44 32.10 1f4i n GLU 30 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1f4i h ASN 31 N 0.00 0.00 0.51 1.62 2.35 -1.98 -1.70 115.58 116.38 1f4i h ASN 31 Ca 0.00 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.46 1f4i h ASN 31 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1f4i h ASN 31 CO 0.00 0.07 -1.65 0.25 -1.65 0.00 0.00 177.43 174.46 1f4i h LEU 32 N 0.00 0.06 -0.42 1.61 6.46 -1.91 -3.26 115.31 117.85 1f4i h LEU 32 Ca -0.00 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.60 1f4i h LEU 32 Cb 0.32 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 1f4i h LEU 32 CO 0.01 1.10 0.09 0.00 -0.62 0.00 0.00 178.44 179.03 1f4i h ALA 33 N 0.89 0.55 -0.19 1.25 0.00 -1.52 0.76 119.26 121.00 1f4i h ALA 33 Ca -0.27 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1f4i h ALA 33 Cb 1.99 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 1f4i h ALA 33 CO 0.09 0.24 0.02 0.00 0.00 0.00 0.00 179.25 179.60 1f4i h ALA 34 N 0.95 0.18 -0.83 0.00 0.00 -1.51 -1.42 119.26 116.64 1f4i h ALA 34 Ca 0.13 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1f4i h ALA 34 Cb 0.33 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1f4i h ALA 34 CO 0.00 -0.41 0.54 -0.97 0.00 0.00 0.00 179.25 178.41 1f4i h ASN 35 N 0.09 0.72 0.01 0.00 -1.24 -1.50 -0.54 115.58 113.12 1f4i h ASN 35 Ca 0.09 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 1f4i h ASN 35 Cb 0.10 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.02 1f4i h ASN 35 CO -0.13 0.43 -0.00 0.15 -1.29 0.00 0.00 177.43 176.58 1f4i h PHE 36 N 0.80 -0.01 0.00 0.67 3.04 -0.02 0.12 116.94 121.54 1f4i h PHE 36 Ca 0.38 -0.00 -0.13 0.00 3.98 0.00 0.00 57.97 62.20 1f4i h PHE 36 Cb 0.42 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 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 -0.04 0.00 0.00 0.59 3.38 -0.54 -2.40 115.31 116.30 1f4i h LEU 37 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1f4i h LEU 37 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1f4i h LEU 37 CO 0.00 0.63 -1.13 -0.07 0.09 0.00 0.00 178.44 177.96 1f4i h LEU 38 N 0.00 0.00 -0.37 1.67 3.38 -1.10 -3.29 115.31 115.59 1f4i h LEU 38 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1f4i h LEU 38 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1f4i h LEU 38 CO 0.08 0.39 -0.81 0.28 0.09 0.00 0.00 178.44 178.46 1f4i h SER 39 N 0.00 0.22 -3.50 -0.43 0.02 -0.86 -3.41 113.55 105.59 1f4i h SER 39 Ca -0.09 -0.17 -0.71 0.00 -0.84 0.00 0.00 61.79 59.98 1f4i h SER 39 Cb 1.37 -0.07 -0.30 0.00 0.14 0.00 0.00 62.40 63.55 1f4i h SER 39 CO 0.03 0.94 -0.51 -1.10 -1.14 0.00 0.00 176.83 175.05 1f4i s GLN 40 N -3.31 2.47 0.03 3.45 -1.52 -0.91 -5.07 119.66 114.80 1f4i s GLN 40 Ca -0.03 -1.50 -0.30 0.00 -1.95 0.00 0.00 55.36 51.59 1f4i s GLN 40 Cb 0.11 -3.66 -0.04 0.00 -0.22 0.00 0.00 33.01 29.19 1f4i s GLN 40 CO 0.82 -0.93 0.96 -0.80 -0.25 0.00 0.00 175.29 175.09 1f4i s ASN 41 N 1.94 7.39 -0.33 5.90 -0.87 -1.26 -4.82 114.94 122.89 1f4i s ASN 41 Ca 0.03 1.67 -0.08 0.00 -1.57 0.00 0.00 52.86 52.91 1f4i s ASN 41 Cb -0.22 -2.57 0.19 0.00 -0.02 0.00 0.00 41.25 38.63 1f4i s ASN 41 CO 0.01 -0.19 1.03 0.12 -2.57 0.00 0.00 177.10 175.49 1f4i s PHE 42 N 0.69 -0.44 0.44 2.20 5.36 -1.26 -5.06 117.98 119.90 1f4i s PHE 42 Ca 0.50 0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 1f4i s PHE 42 Cb -0.22 0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.55 1f4i s PHE 42 CO 0.28 -0.30 0.00 -3.47 -1.46 0.00 0.00 175.22 170.27 1f4i n ASP 43 N 3.63 -3.29 -3.27 6.13 2.03 -1.26 -5.01 116.55 115.51 1f4i n ASP 43 Ca 0.06 0.82 -0.19 0.00 0.52 0.00 0.00 54.79 56.00 1f4i n ASP 43 Cb 0.63 3.11 -0.02 0.00 -0.72 0.00 0.00 41.12 44.12 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 -3.47 -2.44 0.00 1.67 5.68 -1.26 -5.20 116.55 111.52 1f4i n ASP 44 Ca 0.00 -0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 1f4i n ASP 44 Cb 0.00 -2.11 0.00 0.00 -1.14 0.00 0.00 41.12 37.87 1f4i n ASP 44 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25