#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 2.17 0.33 -1.09 0.28 -1.26 -4.73 120.64 116.35 1f4i n GLU 2 Ca 0.00 -1.50 0.22 0.00 -0.16 0.00 0.00 57.16 55.73 1f4i n GLU 2 Cb 0.00 -0.98 1.20 0.00 1.43 0.00 0.00 31.44 33.08 1f4i n GLU 2 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 1f4i h LYS 3 N 0.00 0.00 -0.61 3.44 2.10 -2.05 -0.05 116.57 119.40 1f4i h LYS 3 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1f4i h LYS 3 Cb 0.69 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.99 1f4i h LYS 3 CO 0.00 0.00 0.08 0.93 -2.00 0.00 0.00 179.45 178.46 1f4i h GLU 4 N 0.00 1.01 0.00 0.07 5.08 -2.02 -1.87 114.58 116.85 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 0.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1f4i h GLU 4 CO 0.00 0.94 0.00 0.00 -1.00 0.00 0.00 179.01 178.95 1f4i h ALA 5 N 1.13 1.00 0.00 3.43 0.00 -1.37 -3.23 119.26 120.22 1f4i h ALA 5 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1f4i h ALA 5 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1f4i h ALA 5 CO 0.01 0.00 -0.42 0.82 0.00 0.00 0.00 179.25 179.66 1f4i h ILE 6 N 0.00 0.83 0.00 0.00 1.08 -1.20 0.16 117.51 118.38 1f4i h ILE 6 Ca 0.00 -1.82 0.00 0.00 -0.39 0.00 0.00 64.86 62.65 1f4i h ILE 6 Cb 0.62 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 1f4i h ILE 6 CO 0.00 0.41 -0.61 -1.84 -0.69 0.00 0.00 178.15 175.43 1f4i n GLU 7 N -3.36 0.26 -0.08 2.37 0.28 -1.21 -2.69 120.64 116.20 1f4i n GLU 7 Ca 0.01 0.07 -0.14 0.00 -0.16 0.00 0.00 57.16 56.95 1f4i n GLU 7 Cb 0.61 -1.66 -0.08 0.00 1.43 0.00 0.00 31.44 31.73 1f4i n GLU 7 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1f4i h ARG 8 N 0.00 0.00 -0.35 3.44 2.43 -1.41 -2.09 114.38 116.40 1f4i h ARG 8 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1f4i h ARG 8 Cb 0.71 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1f4i h ARG 8 CO 0.00 0.68 0.09 -0.07 -1.51 0.00 0.00 179.97 179.16 1f4i h LEU 9 N -1.00 0.06 -1.24 3.80 3.38 -0.88 -1.12 115.31 118.31 1f4i h LEU 9 Ca -0.14 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1f4i h LEU 9 Cb 0.90 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1f4i h LEU 9 CO -0.09 0.07 0.32 0.11 0.09 0.00 0.00 178.44 178.94 1f4i h LYS 10 N 0.22 0.84 0.00 1.13 1.57 -1.66 -2.80 116.57 115.87 1f4i h LYS 10 Ca 0.16 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1f4i h LYS 10 Cb 0.17 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1f4i h LYS 10 CO -0.19 0.63 0.00 0.00 -0.57 0.00 0.00 179.45 179.32 1f4i h ALA 11 N 1.50 1.00 0.00 3.86 0.00 -0.47 -0.66 119.26 124.48 1f4i h ALA 11 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1f4i h ALA 11 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1f4i h ALA 11 CO -0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1f4i n LEU 12 N -2.91 0.00 0.00 0.00 4.32 -1.02 -4.81 117.00 112.57 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 0.22 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.00 1f4i n GLY 13 N 0.55 1.63 0.00 -0.72 0.00 -0.35 -5.10 105.19 101.20 1f4i n GLY 13 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.39 0.00 -3.62 1.61 3.72 -0.64 -5.08 117.46 112.06 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 0.01 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 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 3.81 0.85 0.64 -1.08 2.56 -1.26 -4.84 118.70 119.39 1f4i s GLU 15 Ca 0.00 0.92 0.21 0.00 0.00 0.00 0.00 54.97 56.09 1f4i s GLU 15 Cb 0.00 0.41 1.13 0.00 2.00 0.00 0.00 34.13 37.67 1f4i s GLU 15 CO 0.00 -0.12 1.63 1.49 -0.56 0.00 0.00 175.26 177.69 1f4i h GLU 16 N 4.82 0.00 0.00 4.30 4.81 -1.95 -0.46 114.58 126.09 1f4i h GLU 16 Ca -0.29 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1f4i h GLU 16 Cb 1.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1f4i h GLU 16 CO 0.09 0.00 -0.19 0.77 -0.73 0.00 0.00 179.01 178.95 1f4i h SER 17 N 0.00 0.00 0.48 1.04 0.02 -1.97 -1.01 113.55 112.12 1f4i h SER 17 Ca 0.00 -0.55 -0.01 0.00 -0.84 0.00 0.00 61.79 60.39 1f4i h SER 17 Cb 1.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.57 1f4i h SER 17 CO 0.00 0.88 -0.03 0.17 -1.14 0.00 0.00 176.83 176.71 1f4i h LEU 18 N -1.00 0.00 0.29 5.07 -0.00 -1.62 -2.35 115.31 115.70 1f4i h LEU 18 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 1f4i h LEU 18 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 1f4i h LEU 18 CO -0.03 0.03 -0.14 0.58 -0.00 0.00 0.00 178.44 178.89 1f4i h VAL 19 N 0.00 0.20 -0.22 0.15 2.07 -1.24 -0.85 116.25 116.37 1f4i h VAL 19 Ca -0.00 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1f4i h VAL 19 Cb 0.28 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1f4i h VAL 19 CO 0.00 0.05 0.01 0.40 0.02 0.00 0.00 177.57 178.06 1f4i h ILE 20 N -1.06 0.86 0.00 4.57 1.08 -1.02 0.27 117.51 122.21 1f4i h ILE 20 Ca -0.04 -0.03 -0.06 0.00 -0.39 0.00 0.00 64.86 64.34 1f4i h ILE 20 Cb 0.38 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 1f4i h ILE 20 CO 0.06 0.02 -0.28 1.56 -0.69 0.00 0.00 178.15 178.82 1f4i h GLN 21 N 0.08 0.00 0.00 2.37 1.08 -1.57 0.28 115.11 117.36 1f4i h GLN 21 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1f4i h GLN 21 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1f4i h GLN 21 CO -0.16 0.28 -0.03 0.00 -0.95 0.00 0.00 178.83 177.97 1f4i n ALA 22 N -2.40 2.34 -0.04 3.87 0.00 -0.32 -1.56 120.51 122.40 1f4i n ALA 22 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1f4i n ALA 22 Cb 0.35 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.95 0.00 0.00 0.00 9.36 0.83 -3.84 117.16 121.57 1f4i n TYR 23 Ca 0.06 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.06 1f4i n TYR 23 Cb 0.39 -0.57 -0.14 0.00 -0.63 0.00 0.00 39.34 38.40 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 0.00 0.44 0.00 2.98 -1.00 -0.53 0.38 116.94 119.21 1f4i h PHE 24 Ca -0.23 -0.32 -0.07 0.00 2.81 0.00 0.00 57.97 60.16 1f4i h PHE 24 Cb 1.40 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.93 1f4i h PHE 24 CO 0.00 1.63 -0.34 0.00 -1.61 0.00 0.00 178.31 178.00 1f4i h ALA 25 N -0.04 1.06 -0.05 2.45 0.00 -1.49 -1.76 119.26 119.42 1f4i h ALA 25 Ca -0.35 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1f4i h ALA 25 Cb 1.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1f4i h ALA 25 CO 0.05 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1f4i n GLU 27 N -0.47 -1.60 -3.68 0.00 2.13 -0.66 -3.78 120.64 112.58 1f4i n GLU 27 Ca 0.12 0.90 -0.21 0.00 0.66 0.00 0.00 57.16 58.63 1f4i n GLU 27 Cb 0.12 -4.94 0.01 0.00 0.27 0.00 0.00 31.44 26.89 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 -3.07 -0.67 -2.01 5.31 4.01 0.13 -4.94 118.16 116.93 1f4i n LYS 28 Ca -0.08 -0.02 -0.04 0.00 -0.51 0.00 0.00 58.31 57.66 1f4i n LYS 28 Cb 0.58 -0.93 -0.00 0.00 -0.51 0.00 0.00 35.03 34.18 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 -0.82 1.57 0.00 4.39 4.13 -1.25 -5.10 115.26 118.18 1f4i n ASN 29 Ca -0.10 -1.28 0.00 0.00 1.68 0.00 0.00 54.58 54.89 1f4i n ASN 29 Cb 0.32 0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.57 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 -0.50 0.00 0.31 3.52 1.02 -1.26 -4.41 120.64 119.31 1f4i n GLU 30 Ca -0.01 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.32 1f4i n GLU 30 Cb 0.09 -0.01 1.03 0.00 -0.02 0.00 0.00 31.44 32.53 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 0.16 1.62 2.35 -2.00 -1.81 115.58 115.90 1f4i h ASN 31 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 1f4i h ASN 31 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.39 1f4i h ASN 31 CO 0.00 0.02 -0.90 0.25 -1.65 0.00 0.00 177.43 175.14 1f4i h LEU 32 N 0.00 0.52 -0.24 1.61 6.46 -1.94 -2.37 115.31 119.36 1f4i h LEU 32 Ca -0.00 -0.95 -0.00 0.00 -0.12 0.00 0.00 57.88 56.81 1f4i h LEU 32 Cb 0.13 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1f4i h LEU 32 CO 0.00 1.43 0.14 0.00 -0.62 0.00 0.00 178.44 179.39 1f4i h ALA 33 N 0.09 0.30 -0.26 1.25 0.00 -1.62 0.10 119.26 119.13 1f4i h ALA 33 Ca -0.16 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1f4i h ALA 33 Cb 1.71 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 1f4i h ALA 33 CO 0.17 -0.18 0.04 0.00 0.00 0.00 0.00 179.25 179.29 1f4i h ALA 34 N 1.03 0.26 -0.49 0.00 0.00 -1.47 -1.19 119.26 117.41 1f4i h ALA 34 Ca 0.08 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1f4i h ALA 34 Cb 0.05 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1f4i h ALA 34 CO -0.01 -0.37 0.33 -0.97 0.00 0.00 0.00 179.25 178.22 1f4i h ASN 35 N 0.14 0.31 -0.14 0.00 -1.24 -0.91 -0.49 115.58 113.25 1f4i h ASN 35 Ca 0.12 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 1f4i h ASN 35 Cb 0.13 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 1f4i h ASN 35 CO -0.17 0.20 0.00 0.15 -1.29 0.00 0.00 177.43 176.33 1f4i h PHE 36 N 0.35 0.26 0.00 0.67 3.04 0.24 -1.31 116.94 120.19 1f4i h PHE 36 Ca 0.22 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 1f4i h PHE 36 Cb 0.41 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.85 1f4i h PHE 36 CO -0.00 0.46 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.67 1f4i h LEU 37 N -0.01 0.00 0.00 0.59 3.38 -0.49 -0.10 115.31 118.68 1f4i h LEU 37 Ca 0.04 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.77 1f4i h LEU 37 Cb 0.36 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1f4i h LEU 37 CO 0.01 0.01 -1.74 0.18 0.09 0.00 0.00 178.44 176.99 1f4i n LEU 38 N -3.10 0.63 0.10 1.67 4.77 -0.26 -4.27 117.00 116.54 1f4i n LEU 38 Ca 0.04 0.29 -0.24 0.00 -0.03 0.00 0.00 56.01 56.07 1f4i n LEU 38 Cb 0.53 0.18 -0.15 0.00 -2.33 0.00 0.00 43.42 41.65 1f4i n LEU 38 CO 0.34 0.28 -0.36 -1.28 -1.33 0.00 0.00 177.39 175.04 1f4i h SER 39 N 0.00 0.70 -5.76 -1.43 0.87 -1.19 -3.50 113.55 103.24 1f4i h SER 39 Ca -0.27 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.37 1f4i h SER 39 Cb 1.81 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1f4i h SER 39 CO 0.05 1.72 -0.64 0.00 -0.53 0.00 0.00 176.83 177.43 1f4i n GLN 40 N -3.71 -0.50 -1.88 2.24 10.64 -0.05 -4.78 117.38 119.33 1f4i n GLN 40 Ca -0.21 0.81 -0.42 0.00 -1.83 0.00 0.00 57.00 55.36 1f4i n GLN 40 Cb 1.06 -0.84 -0.03 0.00 -0.86 0.00 0.00 30.24 29.58 1f4i n GLN 40 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1f4i s ASN 41 N -0.64 6.55 -0.31 2.61 0.01 -1.26 -4.86 114.94 117.05 1f4i s ASN 41 Ca 0.00 2.60 -0.02 0.00 -0.71 0.00 0.00 52.86 54.73 1f4i s ASN 41 Cb 0.00 -2.58 0.29 0.00 0.41 0.00 0.00 41.25 39.37 1f4i s ASN 41 CO 0.00 -0.89 1.31 0.33 -1.51 0.00 0.00 177.10 176.34 1f4i n PHE 42 N 5.00 -0.18 -1.96 2.20 7.35 -1.26 -5.02 117.46 123.59 1f4i n PHE 42 Ca 0.16 -0.57 -0.03 0.00 -0.76 0.00 0.00 57.45 56.24 1f4i n PHE 42 Cb 0.39 1.05 -0.01 0.00 0.35 0.00 0.00 39.48 41.26 1f4i n PHE 42 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1f4i n ASP 43 N 1.30 -0.58 -2.53 -2.13 2.03 -1.26 -4.99 116.55 108.38 1f4i n ASP 43 Ca -0.01 -1.18 -0.15 0.00 0.52 0.00 0.00 54.79 53.97 1f4i n ASP 43 Cb 0.73 0.20 0.05 0.00 -0.72 0.00 0.00 41.12 41.38 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 -0.19 -4.55 0.00 1.67 9.92 -1.26 -5.34 116.55 116.81 1f4i n ASP 44 Ca -0.13 -0.36 0.00 0.00 -0.53 0.00 0.00 54.79 53.77 1f4i n ASP 44 Cb 0.53 -3.47 0.00 0.00 -0.64 0.00 0.00 41.12 37.54 1f4i n ASP 44 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54