#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 0.04 0.26 -1.09 4.07 -1.26 -4.07 120.64 118.59 1f4i n GLU 2 Ca 0.00 0.00 0.17 0.00 -0.06 0.00 0.00 57.16 57.28 1f4i n GLU 2 Cb 0.00 -1.52 0.90 0.00 -0.06 0.00 0.00 31.44 30.76 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 0.00 0.00 -0.39 5.31 5.09 -2.05 -2.15 116.57 122.39 1f4i h LYS 3 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.70 1f4i h LYS 3 Cb 0.54 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.85 1f4i h LYS 3 CO 0.00 0.00 0.09 0.93 -2.09 0.00 0.00 179.45 178.38 1f4i h GLU 4 N 0.00 0.62 0.00 0.07 4.39 -2.03 -2.03 114.58 115.61 1f4i h GLU 4 Ca 0.00 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1f4i h GLU 4 Cb 0.08 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1f4i h GLU 4 CO 0.00 0.66 0.00 0.00 -1.16 0.00 0.00 179.01 178.51 1f4i h ALA 5 N 0.94 1.00 -0.17 3.43 0.00 -1.68 -3.27 119.26 119.52 1f4i h ALA 5 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1f4i h ALA 5 Cb 0.32 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1f4i h ALA 5 CO 0.00 0.00 -0.57 0.82 0.00 0.00 0.00 179.25 179.50 1f4i h ILE 6 N 0.00 1.32 0.00 0.00 1.08 -1.33 0.13 117.51 118.71 1f4i h ILE 6 Ca 0.00 -1.81 0.00 0.00 -0.39 0.00 0.00 64.86 62.66 1f4i h ILE 6 Cb 0.53 1.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.26 1f4i h ILE 6 CO 0.00 0.56 0.00 1.05 -0.69 0.00 0.00 178.15 179.07 1f4i h GLU 7 N 0.36 0.00 0.02 2.37 4.11 -1.65 -1.16 114.58 118.63 1f4i h GLU 7 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 1f4i h GLU 7 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1f4i h GLU 7 CO 0.12 0.00 -0.01 -0.09 0.07 0.00 0.00 179.01 179.10 1f4i h ARG 8 N 0.00 -0.02 -0.56 1.06 2.43 -1.47 -1.47 114.38 114.35 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 0.57 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 1f4i h ARG 8 CO 0.00 0.52 0.29 -0.07 -1.51 0.00 0.00 179.97 179.20 1f4i h LEU 9 N -0.99 0.42 -1.09 3.80 3.38 -0.81 -0.99 115.31 119.04 1f4i h LEU 9 Ca -0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1f4i h LEU 9 Cb 0.55 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1f4i h LEU 9 CO 0.00 0.28 0.34 0.11 0.09 0.00 0.00 178.44 179.26 1f4i h LYS 10 N 0.56 0.98 0.00 1.13 1.57 -1.32 -2.86 116.57 116.62 1f4i h LYS 10 Ca 0.25 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1f4i h LYS 10 Cb 0.15 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1f4i h LYS 10 CO -0.17 0.75 0.00 0.00 -0.57 0.00 0.00 179.45 179.46 1f4i h ALA 11 N 1.39 1.00 0.00 3.86 0.00 -0.06 -0.47 119.26 124.98 1f4i h ALA 11 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1f4i h ALA 11 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 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 -2.95 0.00 0.00 0.00 4.32 -1.04 -4.82 117.00 112.51 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 0.21 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 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 0.58 1.45 0.00 -0.72 0.00 -0.29 -5.11 105.19 101.11 1f4i n GLY 13 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.41 0.00 -3.67 1.61 3.72 -0.61 -5.08 117.46 112.02 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 -0.09 0.00 -0.94 0.00 0.00 39.48 38.45 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 3.70 0.63 0.66 -1.08 -6.30 -1.26 -4.82 118.70 110.22 1f4i s GLU 15 Ca 0.00 0.88 0.16 0.00 -2.50 0.00 0.00 54.97 53.50 1f4i s GLU 15 Cb 0.00 0.23 0.83 0.00 0.00 0.00 0.00 34.13 35.19 1f4i s GLU 15 CO 0.00 -0.11 1.46 1.49 0.02 0.00 0.00 175.26 178.12 1f4i h GLU 16 N 5.88 0.00 0.00 4.30 4.22 -1.95 0.61 114.58 127.65 1f4i h GLU 16 Ca -0.30 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.14 1f4i h GLU 16 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1f4i h GLU 16 CO 0.17 0.00 -0.03 0.77 -2.18 0.00 0.00 179.01 177.74 1f4i h SER 17 N 0.00 0.00 0.50 1.04 0.02 -1.97 -0.93 113.55 112.22 1f4i h SER 17 Ca 0.04 -0.60 -0.01 0.00 -0.84 0.00 0.00 61.79 60.38 1f4i h SER 17 Cb 1.44 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.98 1f4i h SER 17 CO -0.00 0.81 -0.07 0.17 -1.14 0.00 0.00 176.83 176.61 1f4i h LEU 18 N -1.00 0.00 0.31 5.07 -0.00 -1.39 -2.14 115.31 116.16 1f4i h LEU 18 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1f4i h LEU 18 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 1f4i h LEU 18 CO -0.00 0.07 -0.15 0.58 -0.00 0.00 0.00 178.44 178.93 1f4i h VAL 19 N 0.00 0.34 -0.22 0.15 2.07 -1.14 -0.36 116.25 117.09 1f4i h VAL 19 Ca -0.00 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.77 1f4i h VAL 19 Cb 0.33 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1f4i h VAL 19 CO 0.01 0.08 0.02 0.40 0.02 0.00 0.00 177.57 178.10 1f4i h ILE 20 N -1.02 0.86 0.00 4.57 1.08 -0.96 0.24 117.51 122.29 1f4i h ILE 20 Ca -0.04 -0.03 -0.05 0.00 -0.39 0.00 0.00 64.86 64.35 1f4i h ILE 20 Cb 0.46 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1f4i h ILE 20 CO 0.07 0.02 -0.24 1.56 -0.69 0.00 0.00 178.15 178.87 1f4i h GLN 21 N 0.09 0.00 0.00 2.37 1.08 -1.52 0.31 115.11 117.44 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 0.24 -0.04 0.00 -0.95 0.00 0.00 178.83 177.91 1f4i n ALA 22 N -2.24 2.39 -0.03 3.87 0.00 -0.14 -1.65 120.51 122.70 1f4i n ALA 22 Ca -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1f4i n ALA 22 Cb 0.42 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.78 0.00 -0.01 0.00 9.36 0.75 -3.92 117.16 121.57 1f4i n TYR 23 Ca 0.06 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.07 1f4i n TYR 23 Cb 0.37 -0.44 -0.14 0.00 -0.63 0.00 0.00 39.34 38.51 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 0.42 0.00 2.98 -1.00 -0.49 0.32 116.94 119.17 1f4i h PHE 24 Ca -0.15 -0.31 -0.07 0.00 2.81 0.00 0.00 57.97 60.26 1f4i h PHE 24 Cb 1.11 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.65 1f4i h PHE 24 CO 0.00 1.71 -0.33 0.00 -1.61 0.00 0.00 178.31 178.08 1f4i h ALA 25 N -0.04 1.06 -0.01 2.45 0.00 -1.52 -2.08 119.26 119.11 1f4i h ALA 25 Ca -0.39 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1f4i h ALA 25 Cb 1.89 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1f4i h ALA 25 CO 0.04 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1f4i n GLU 27 N -0.74 -2.07 -3.91 0.00 0.00 -0.78 -3.88 120.64 109.27 1f4i n GLU 27 Ca 0.19 0.92 -0.28 0.00 0.00 0.00 0.00 57.16 57.98 1f4i n GLU 27 Cb 0.12 -5.70 0.01 0.00 0.00 0.00 0.00 31.44 25.87 1f4i n GLU 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1f4i n LYS 28 N -3.12 -0.56 0.00 5.31 4.01 0.11 -4.93 118.16 118.98 1f4i n LYS 28 Ca -0.06 -0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.60 1f4i n LYS 28 Cb 0.60 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 34.03 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 -0.93 0.00 0.00 4.39 2.85 -1.25 -5.10 115.26 115.22 1f4i n ASN 29 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1f4i n ASN 29 Cb 0.34 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.36 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 0.00 0.00 0.31 1.20 1.02 -1.26 -4.72 120.64 117.18 1f4i n GLU 30 Ca 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.32 1f4i n GLU 30 Cb 0.00 0.00 0.98 0.00 -0.02 0.00 0.00 31.44 32.40 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 0.17 1.62 -0.26 -2.00 -1.55 115.58 113.56 1f4i h ASN 31 Ca 0.00 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.51 1f4i h ASN 31 Cb 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.28 1f4i h ASN 31 CO 0.00 0.03 -1.03 0.25 -1.06 0.00 0.00 177.43 175.62 1f4i h LEU 32 N 0.00 0.55 -0.16 1.61 7.12 -1.93 -2.55 115.31 119.94 1f4i h LEU 32 Ca -0.00 -0.94 0.00 0.00 0.13 0.00 0.00 57.88 57.07 1f4i h LEU 32 Cb 0.16 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.10 1f4i h LEU 32 CO 0.00 1.49 0.11 0.00 -0.13 0.00 0.00 178.44 179.91 1f4i h ALA 33 N 0.09 0.20 -0.25 1.25 0.00 -1.62 0.14 119.26 119.08 1f4i h ALA 33 Ca -0.19 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1f4i h ALA 33 Cb 1.78 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 1f4i h ALA 33 CO 0.17 -0.31 0.09 0.00 0.00 0.00 0.00 179.25 179.20 1f4i h ALA 34 N 1.06 0.28 -0.60 0.00 0.00 -1.43 -1.75 119.26 116.82 1f4i h ALA 34 Ca 0.06 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1f4i h ALA 34 Cb -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1f4i h ALA 34 CO -0.01 -0.32 0.40 -0.97 0.00 0.00 0.00 179.25 178.35 1f4i h ASN 35 N 0.21 0.35 0.61 0.00 -0.73 -0.98 -0.68 115.58 114.35 1f4i h ASN 35 Ca 0.11 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.26 1f4i h ASN 35 Cb 0.07 -0.06 0.01 0.00 0.27 0.00 0.00 38.32 38.60 1f4i h ASN 35 CO -0.10 0.21 -0.29 0.15 -0.37 0.00 0.00 177.43 177.02 1f4i h PHE 36 N 0.39 -0.76 -0.02 0.67 3.04 0.09 -1.93 116.94 118.41 1f4i h PHE 36 Ca 0.28 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.11 1f4i h PHE 36 Cb 0.58 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 1f4i h PHE 36 CO -0.00 -0.44 -0.46 -0.07 -2.02 0.00 0.00 178.31 175.32 1f4i h LEU 37 N -0.92 0.06 0.00 0.59 4.07 -0.59 -2.82 115.31 115.70 1f4i h LEU 37 Ca -0.08 -0.03 -0.14 0.00 0.08 0.00 0.00 57.88 57.71 1f4i h LEU 37 Cb 0.66 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 1f4i h LEU 37 CO 0.14 0.51 -0.85 -0.07 -1.08 0.00 0.00 178.44 177.09 1f4i h LEU 38 N 0.05 0.00 -0.00 1.67 3.38 -1.21 -3.16 115.31 116.03 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 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1f4i h LEU 38 CO 0.06 0.59 0.00 -0.24 0.09 0.00 0.00 178.44 178.94 1f4i n SER 39 N -3.14 0.50 -4.55 -0.43 2.88 -0.73 -4.65 113.62 103.50 1f4i n SER 39 Ca -0.02 0.55 -0.38 0.00 -1.33 0.00 0.00 58.87 57.68 1f4i n SER 39 Cb 0.79 -0.68 -0.03 0.00 -0.75 0.00 0.00 64.21 63.54 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 -3.06 3.02 0.08 -1.46 -0.21 -1.09 -4.96 119.66 111.97 1f4i s GLN 40 Ca 0.12 -0.16 -0.31 0.00 0.02 0.00 0.00 55.36 55.03 1f4i s GLN 40 Cb 0.15 -4.56 -0.06 0.00 1.00 0.00 0.00 33.01 29.53 1f4i s GLN 40 CO 0.57 -2.49 1.27 -0.80 -2.12 0.00 0.00 175.29 171.73 1f4i s ASN 41 N 5.76 6.98 -0.30 5.90 -0.87 -1.26 -4.98 114.94 126.17 1f4i s ASN 41 Ca 0.51 2.13 -0.14 0.00 -1.57 0.00 0.00 52.86 53.79 1f4i s ASN 41 Cb -0.08 -2.58 0.18 0.00 -0.02 0.00 0.00 41.25 38.75 1f4i s ASN 41 CO 0.10 -0.54 1.08 0.12 -2.57 0.00 0.00 177.10 175.29 1f4i s PHE 42 N 1.12 -0.47 0.00 2.20 2.19 -1.26 -5.04 117.98 116.72 1f4i s PHE 42 Ca 0.61 0.54 0.00 0.00 0.33 0.00 0.00 56.93 58.41 1f4i s PHE 42 Cb -0.32 0.18 0.00 0.00 -1.31 0.00 0.00 43.02 41.57 1f4i s PHE 42 CO 0.29 -0.25 0.00 -3.47 1.83 0.00 0.00 175.22 173.62 1f4i n ASP 43 N 5.37 0.00 -2.15 6.13 -0.08 -1.26 -5.02 116.55 119.55 1f4i n ASP 43 Ca -0.07 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.02 1f4i n ASP 43 Cb 0.54 0.06 -0.01 0.00 2.34 0.00 0.00 41.12 44.05 1f4i n ASP 43 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1f4i n ASP 44 N -1.37 -5.45 0.00 1.67 8.00 -1.26 -5.38 116.55 112.75 1f4i n ASP 44 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1f4i n ASP 44 Cb 0.00 -4.50 0.00 0.00 -0.02 0.00 0.00 41.12 36.60 1f4i n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19