#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 -0.24 0.27 -1.09 -0.00 -1.26 -4.77 120.64 113.56 1f4i n GLU 2 Ca 0.00 -0.68 0.15 0.00 -0.00 0.00 0.00 57.16 56.63 1f4i n GLU 2 Cb 0.00 -0.99 0.72 0.00 -0.00 0.00 0.00 31.44 31.17 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 -0.14 3.44 2.10 -2.04 0.50 116.57 120.43 1f4i h LYS 3 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1f4i h LYS 3 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 1f4i h LYS 3 CO 0.00 0.00 0.01 1.49 -2.00 0.00 0.00 179.45 178.95 1f4i h GLU 4 N 0.00 0.24 0.00 0.07 4.81 -2.03 -2.44 114.58 115.24 1f4i h GLU 4 Ca 0.05 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1f4i h GLU 4 Cb 0.93 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1f4i h GLU 4 CO -0.00 0.46 0.00 0.00 -0.73 0.00 0.00 179.01 178.74 1f4i h ALA 5 N 0.77 1.00 -0.20 2.92 0.00 -1.29 -3.27 119.26 119.19 1f4i h ALA 5 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1f4i h ALA 5 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1f4i h ALA 5 CO 0.01 0.00 0.05 0.82 0.00 0.00 0.00 179.25 180.12 1f4i h ILE 6 N 0.00 1.20 0.00 0.00 2.04 -0.99 0.61 117.51 120.37 1f4i h ILE 6 Ca 0.00 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1f4i h ILE 6 Cb 0.54 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1f4i h ILE 6 CO 0.00 0.20 0.00 1.05 0.00 0.00 0.00 178.15 179.40 1f4i h GLU 7 N 0.14 0.00 0.01 2.37 4.11 -1.60 -0.95 114.58 118.65 1f4i h GLU 7 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 1f4i h GLU 7 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1f4i h GLU 7 CO 0.00 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 -0.70 1.06 2.43 -1.42 -0.47 114.38 115.27 1f4i h ARG 8 Ca 0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1f4i h ARG 8 Cb 0.35 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.83 1f4i h ARG 8 CO 0.00 0.64 0.32 -0.07 -1.51 0.00 0.00 179.97 179.35 1f4i h LEU 9 N -0.99 0.38 -0.93 3.80 3.38 -0.87 -0.81 115.31 119.27 1f4i h LEU 9 Ca -0.00 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1f4i h LEU 9 Cb 0.65 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1f4i h LEU 9 CO 0.00 0.20 -0.26 0.50 0.09 0.00 0.00 178.44 178.98 1f4i h LYS 10 N 0.53 0.48 0.00 1.13 3.11 -1.25 -2.90 116.57 117.67 1f4i h LYS 10 Ca 0.36 -0.18 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 1f4i h LYS 10 Cb 0.43 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 1f4i h LYS 10 CO -0.31 0.70 0.00 0.00 -2.81 0.00 0.00 179.45 177.03 1f4i h ALA 11 N 1.31 1.00 0.00 5.00 0.00 0.40 -1.07 119.26 125.90 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 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 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 -0.97 -4.82 117.00 112.75 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 0.23 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 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 0.56 1.51 0.00 -0.72 0.00 -0.48 -5.10 105.19 100.97 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 -1.49 0.00 -3.64 1.61 3.72 -0.74 -5.08 117.46 111.85 1f4i n PHE 14 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 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 4.87 0.73 0.62 -1.08 2.12 -1.26 -4.87 118.70 119.83 1f4i s GLU 15 Ca 0.00 1.01 0.17 0.00 0.36 0.00 0.00 54.97 56.51 1f4i s GLU 15 Cb 0.00 0.28 0.92 0.00 0.26 0.00 0.00 34.13 35.59 1f4i s GLU 15 CO 0.00 -0.11 1.50 1.49 -0.54 0.00 0.00 175.26 177.60 1f4i h GLU 16 N 5.65 0.00 0.00 4.30 4.81 -1.94 0.78 114.58 128.18 1f4i h GLU 16 Ca -0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1f4i h GLU 16 Cb 1.19 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1f4i h GLU 16 CO 0.10 0.00 -0.09 0.77 -0.73 0.00 0.00 179.01 179.06 1f4i h SER 17 N 0.00 0.00 0.45 1.04 0.02 -1.98 -1.99 113.55 111.09 1f4i h SER 17 Ca 0.00 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.42 1f4i h SER 17 Cb 1.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 1f4i h SER 17 CO 0.00 0.81 -0.05 0.17 -1.14 0.00 0.00 176.83 176.62 1f4i h LEU 18 N -1.00 0.00 0.41 5.07 -0.00 -1.36 -2.11 115.31 116.32 1f4i h LEU 18 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1f4i h LEU 18 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1f4i h LEU 18 CO -0.01 0.05 -0.20 0.58 -0.00 0.00 0.00 178.44 178.87 1f4i h VAL 19 N 0.00 0.31 -0.09 0.15 2.07 -1.12 -0.70 116.25 116.87 1f4i h VAL 19 Ca -0.00 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1f4i h VAL 19 Cb 0.29 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1f4i h VAL 19 CO 0.01 0.07 -0.08 0.40 0.02 0.00 0.00 177.57 177.99 1f4i h ILE 20 N -1.03 0.77 0.00 4.57 2.04 -1.14 0.21 117.51 122.92 1f4i h ILE 20 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1f4i h ILE 20 Cb 0.53 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1f4i h ILE 20 CO 0.09 0.00 -0.06 -0.61 0.00 0.00 0.00 178.15 177.57 1f4i h GLN 21 N -0.09 0.00 -0.00 2.37 4.15 -1.49 0.26 115.11 120.31 1f4i h GLN 21 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1f4i h GLN 21 Cb 0.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1f4i h GLN 21 CO -0.15 0.06 -0.37 0.00 -1.93 0.00 0.00 178.83 176.44 1f4i n ALA 22 N -2.15 3.26 0.11 3.38 0.00 -0.27 -2.29 120.51 122.55 1f4i n ALA 22 Ca -0.01 -0.31 0.01 0.00 0.00 0.00 0.00 53.44 53.14 1f4i n ALA 22 Cb 0.26 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.39 0.00 -0.06 0.00 9.36 0.62 -4.04 117.16 121.65 1f4i n TYR 23 Ca 0.07 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.21 1f4i n TYR 23 Cb 0.33 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.99 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 -0.13 0.00 0.19 2.98 3.72 0.80 -0.58 117.46 124.44 1f4i n PHE 24 Ca 0.01 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.47 1f4i n PHE 24 Cb 0.06 -0.44 0.36 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.01 1.08 -0.11 4.37 0.00 -1.65 -2.16 119.26 120.80 1f4i h ALA 25 Ca -0.25 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1f4i h ALA 25 Cb 1.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1f4i h ALA 25 CO -0.04 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1f4i n GLU 27 N -0.20 -4.16 -4.07 0.00 2.13 -0.81 -3.79 120.64 109.73 1f4i n GLU 27 Ca 0.10 0.74 -0.41 0.00 0.66 0.00 0.00 57.16 58.25 1f4i n GLU 27 Cb 0.15 -5.44 0.00 0.00 0.27 0.00 0.00 31.44 26.42 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 -3.91 -0.37 0.00 5.31 4.76 0.25 -4.94 118.16 119.26 1f4i n LYS 28 Ca -0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 1f4i n LYS 28 Cb 0.65 -2.23 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 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 -1.90 0.00 0.00 4.39 4.05 -1.25 -5.08 115.26 115.47 1f4i n ASN 29 Ca -0.13 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.90 1f4i n ASN 29 Cb 0.52 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.53 1f4i n ASN 29 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1f4i n GLU 30 N 0.00 0.00 0.31 1.20 1.02 -1.26 -4.69 120.64 117.21 1f4i n GLU 30 Ca 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.31 1f4i n GLU 30 Cb 0.00 0.00 1.00 0.00 -0.02 0.00 0.00 31.44 32.42 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 -0.00 1.62 4.21 -2.00 -1.77 115.58 117.64 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 -0.47 0.25 -1.29 0.00 0.00 177.43 175.93 1f4i h LEU 32 N 0.00 0.42 -0.18 1.61 6.46 -1.93 -1.91 115.31 119.78 1f4i h LEU 32 Ca -0.00 -0.77 -0.01 0.00 -0.12 0.00 0.00 57.88 56.99 1f4i h LEU 32 Cb 0.04 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 1f4i h LEU 32 CO 0.00 1.13 0.08 0.00 -0.62 0.00 0.00 178.44 179.03 1f4i h ALA 33 N 0.30 0.23 -0.29 1.25 0.00 -1.61 0.68 119.26 119.82 1f4i h ALA 33 Ca -0.06 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1f4i h ALA 33 Cb 1.20 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1f4i h ALA 33 CO 0.09 -0.19 0.02 0.00 0.00 0.00 0.00 179.25 179.17 1f4i h ALA 34 N 0.93 0.27 -0.45 0.00 0.00 -1.45 -1.34 119.26 117.23 1f4i h ALA 34 Ca 0.06 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1f4i h ALA 34 Cb 0.15 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1f4i h ALA 34 CO -0.01 -0.39 0.30 -0.97 0.00 0.00 0.00 179.25 178.18 1f4i h ASN 35 N 0.11 0.32 0.47 0.00 -0.73 -0.91 -0.71 115.58 114.14 1f4i h ASN 35 Ca 0.14 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 1f4i h ASN 35 Cb 0.17 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1f4i h ASN 35 CO -0.21 0.21 -0.23 0.15 -0.37 0.00 0.00 177.43 176.98 1f4i h PHE 36 N 0.36 -0.58 0.00 0.67 3.04 0.20 -0.66 116.94 119.97 1f4i h PHE 36 Ca 0.20 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.04 1f4i h PHE 36 Cb 0.31 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 1f4i h PHE 36 CO -0.00 -0.31 -0.43 -0.07 -2.02 0.00 0.00 178.31 175.48 1f4i h LEU 37 N -0.75 0.00 0.00 0.59 4.07 -0.75 -1.02 115.31 117.45 1f4i h LEU 37 Ca -0.06 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.76 1f4i h LEU 37 Cb 0.54 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 1f4i h LEU 37 CO 0.11 0.43 -1.02 -0.07 -1.08 0.00 0.00 178.44 176.80 1f4i h LEU 38 N 0.00 0.00 -0.32 1.67 3.38 -1.17 -3.23 115.31 115.64 1f4i h LEU 38 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f4i h LEU 38 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1f4i h LEU 38 CO 0.06 0.52 -0.30 -0.24 0.09 0.00 0.00 178.44 178.57 1f4i n SER 39 N -3.02 0.80 -4.56 -0.43 2.88 -0.26 -4.64 113.62 104.39 1f4i n SER 39 Ca -0.04 -0.65 -0.38 0.00 -1.33 0.00 0.00 58.87 56.46 1f4i n SER 39 Cb 0.78 0.13 -0.03 0.00 -0.75 0.00 0.00 64.21 64.35 1f4i n SER 39 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1f4i s GLN 40 N -2.64 3.42 -0.08 -1.46 -1.52 -0.41 -4.95 119.66 112.01 1f4i s GLN 40 Ca 0.21 -1.14 -0.38 0.00 -1.95 0.00 0.00 55.36 52.10 1f4i s GLN 40 Cb 0.19 -5.33 -0.16 0.00 -0.22 0.00 0.00 33.01 27.49 1f4i s GLN 40 CO 0.56 -2.54 1.57 0.27 -0.25 0.00 0.00 175.29 174.91 1f4i n ASN 41 N 10.03 2.22 -3.16 5.90 0.23 -1.26 -4.95 115.26 124.27 1f4i n ASN 41 Ca 0.38 1.09 0.05 0.00 -0.53 0.00 0.00 54.58 55.57 1f4i n ASN 41 Cb 0.49 -1.20 -0.02 0.00 -2.08 0.00 0.00 39.78 36.97 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 2.11 -0.50 0.00 -2.53 5.36 -1.26 -5.18 117.98 115.98 1f4i s PHE 42 Ca 0.91 0.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 1f4i s PHE 42 Cb -0.96 0.18 0.00 0.00 -0.34 0.00 0.00 43.02 41.90 1f4i s PHE 42 CO 0.54 -0.27 0.00 -0.40 -1.46 0.00 0.00 175.22 173.63 1f4i n ASP 43 N 5.45 0.00 -0.31 6.13 5.75 -1.26 -5.02 116.55 127.29 1f4i n ASP 43 Ca -0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.65 1f4i n ASP 43 Cb 0.54 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.62 1f4i n ASP 43 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1f4i h ASP 44 N 0.00 -1.52 -0.02 -1.12 3.32 -2.06 -3.57 116.42 111.45 1f4i h ASP 44 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1f4i h ASP 44 Cb 0.00 0.74 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1f4i h ASP 44 CO 0.00 -0.30 0.00 -1.84 -1.72 0.00 0.00 179.24 175.38