#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zaq s PRO 2 N 0.00 3.75 0.25 3.49 0.05 -1.26 -4.83 135.00 136.45 1zaq s PRO 2 Ca 0.00 2.21 0.00 0.00 0.05 0.00 0.00 61.00 63.26 1zaq s PRO 2 Cb 0.00 -2.63 0.00 0.00 0.05 0.00 0.00 34.50 31.92 1zaq s PRO 2 CO 0.00 -0.69 0.00 0.28 0.05 0.00 0.00 177.00 176.64 1zaq n VAL 3 N -0.18 0.00 -3.78 -0.36 0.31 -1.26 -5.11 118.33 107.96 1zaq n VAL 3 Ca 0.05 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.02 1zaq n VAL 3 Cb 0.44 -0.02 -0.07 0.00 -0.91 0.00 0.00 33.84 33.28 1zaq n VAL 3 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1zaq s ASP 4 N -2.12 6.36 0.12 4.52 1.01 -1.26 -5.00 116.67 120.31 1zaq s ASP 4 Ca 0.00 0.43 -0.24 0.00 0.71 0.00 0.00 52.55 53.45 1zaq s ASP 4 Cb 0.00 -2.10 -0.06 0.00 1.01 0.00 0.00 42.92 41.77 1zaq s ASP 4 CO 0.00 0.30 1.42 -0.65 0.21 0.00 0.00 175.17 176.45 1zaq h PRO 5 N 5.65 -0.04 0.00 8.23 0.11 -2.00 -2.76 132.00 141.19 1zaq h PRO 5 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1zaq h PRO 5 Cb 1.20 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1zaq h PRO 5 CO 0.66 -0.03 -0.39 0.00 -0.21 0.00 0.00 178.00 178.02 1zaq n PHE 7 N -1.15 -3.24 -3.57 0.00 7.35 -1.04 -4.28 117.46 111.53 1zaq n PHE 7 Ca 0.18 1.91 -0.22 0.00 -0.76 0.00 0.00 57.45 58.56 1zaq n PHE 7 Cb 0.69 -3.01 0.02 0.00 0.35 0.00 0.00 39.48 37.53 1zaq n PHE 7 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1zaq n ARG 8 N 1.95 -1.31 0.00 -4.13 5.12 -1.26 -4.96 116.66 112.07 1zaq n ARG 8 Ca -0.17 0.81 0.00 0.00 -1.93 0.00 0.00 57.85 56.56 1zaq n ARG 8 Cb 0.26 -3.91 0.00 0.00 -1.16 0.00 0.00 32.46 27.66 1zaq n ARG 8 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1zaq n ALA 9 N -3.10 0.00 -2.78 7.54 0.00 -1.26 -4.88 120.51 116.04 1zaq n ALA 9 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 1zaq n ALA 9 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1zaq n ALA 9 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1zaq s ASN 10 N 0.00 6.78 0.23 0.00 -0.87 -1.26 -3.56 114.94 116.26 1zaq s ASN 10 Ca 0.00 -2.30 0.00 0.00 -1.57 0.00 0.00 52.86 48.99 1zaq s ASN 10 Cb 0.00 -2.48 0.00 0.00 -0.02 0.00 0.00 41.25 38.75 1zaq s ASN 10 CO 0.00 -1.08 0.00 0.00 -2.57 0.00 0.00 177.10 173.45 1zaq n GLU 12 N -0.59 0.00 -0.06 0.00 4.07 -1.24 -4.98 120.64 117.84 1zaq n GLU 12 Ca 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.02 1zaq n GLU 12 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 1zaq n GLU 12 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 1zaq n TYR 13 N -0.18 0.00 -4.50 4.31 4.11 -1.26 -5.04 117.16 114.60 1zaq n TYR 13 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.66 1zaq n TYR 13 Cb 0.00 -0.53 -0.10 0.00 -0.00 0.00 0.00 39.34 38.71 1zaq n TYR 13 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 1zaq s GLN 14 N -2.27 1.78 -0.30 -3.48 0.74 -1.26 -5.13 119.66 109.73 1zaq s GLN 14 Ca -0.12 -2.02 -0.23 0.00 0.05 0.00 0.00 55.36 53.04 1zaq s GLN 14 Cb 0.04 -0.94 0.20 0.00 1.10 0.00 0.00 33.01 33.41 1zaq s GLN 14 CO 0.37 -0.24 1.44 0.00 -0.55 0.00 0.00 175.29 176.31 1zaq n GLN 16 N 1.88 3.05 -1.54 0.00 6.02 0.17 -4.92 117.38 122.05 1zaq n GLN 16 Ca -0.12 -4.60 -0.39 0.00 -0.01 0.00 0.00 57.00 51.89 1zaq n GLN 16 Cb 0.57 -2.36 -0.06 0.00 1.02 0.00 0.00 30.24 29.41 1zaq n GLN 16 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1zaq n PRO 17 N 1.30 0.92 0.00 -1.09 -0.04 -1.22 -3.51 135.00 131.36 1zaq n PRO 17 Ca 0.27 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1zaq n PRO 17 Cb 0.38 -2.98 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 1zaq n PRO 17 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1zaq n LEU 18 N 14.08 0.00 -3.45 1.53 -0.00 -1.03 -4.76 117.00 123.38 1zaq n LEU 18 Ca 0.42 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 56.17 1zaq n LEU 18 Cb 0.42 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.74 1zaq n LEU 18 CO 0.75 0.00 -0.18 -3.20 -0.00 0.00 0.00 177.39 174.76 1zaq n ASN 19 N 0.00 1.22 0.00 1.45 5.15 -0.97 -4.81 115.26 117.29 1zaq n ASN 19 Ca 0.00 -2.84 0.00 0.00 -0.60 0.00 0.00 54.58 51.14 1zaq n ASN 19 Cb 0.00 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 38.61 1zaq n ASN 19 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1zaq n GLN 20 N 1.88 0.00 -2.13 1.20 7.27 -1.26 -3.48 117.38 120.85 1zaq n GLN 20 Ca 0.25 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.33 1zaq n GLN 20 Cb 0.45 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.14 1zaq n GLN 20 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1zaq n THR 21 N 0.00 0.55 -0.74 1.69 -2.24 -1.26 -5.09 114.28 107.18 1zaq n THR 21 Ca 0.00 -1.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.03 1zaq n THR 21 Cb 0.00 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1zaq n THR 21 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1zaq n SER 22 N -0.18 1.52 0.00 3.42 2.88 -1.23 -5.12 113.62 114.91 1zaq n SER 22 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1zaq n SER 22 Cb 0.94 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 1zaq n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zaq n TYR 23 N 0.00 0.00 0.00 0.66 4.11 -1.26 -2.30 117.16 118.37 1zaq n TYR 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1zaq n TYR 23 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1zaq n TYR 23 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 1zaq n LEU 24 N 0.00 0.00 -4.95 -3.48 0.00 -1.23 -3.50 117.00 103.83 1zaq n LEU 24 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.77 1zaq n LEU 24 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.44 1zaq n LEU 24 CO 0.00 0.00 0.16 0.00 0.00 0.00 0.00 177.39 177.55 1zaq n VAL 26 N -1.95 0.00 0.00 0.00 0.31 -1.25 -3.92 118.33 111.52 1zaq n VAL 26 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1zaq n VAL 26 Cb 0.64 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1zaq n VAL 26 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1zaq n ALA 28 N -3.00 0.00 0.33 0.00 0.00 -1.26 -4.00 120.51 112.58 1zaq n ALA 28 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1zaq n ALA 28 Cb 0.00 0.00 1.01 0.00 0.00 0.00 0.00 19.45 20.46 1zaq n ALA 28 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1zaq h GLU 29 N 0.00 0.00 0.00 0.00 5.08 -2.01 -3.44 114.58 114.21 1zaq h GLU 29 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1zaq h GLU 29 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1zaq h GLU 29 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1zaq n GLY 30 N -1.15 -0.41 1.77 -3.84 0.00 -1.26 -5.09 105.19 95.20 1zaq n GLY 30 Ca -0.02 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1zaq n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1zaq n PHE 31 N 0.00 -4.79 -1.75 1.61 3.01 -1.26 -4.56 117.46 109.73 1zaq n PHE 31 Ca 0.00 2.53 -0.30 0.00 1.01 0.00 0.00 57.45 60.69 1zaq n PHE 31 Cb 0.00 -3.72 0.08 0.00 -0.01 0.00 0.00 39.48 35.83 1zaq n PHE 31 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1zaq s ALA 32 N -3.00 2.52 -0.58 4.37 0.00 -0.66 -3.64 121.76 120.78 1zaq s ALA 32 Ca 0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 51.96 51.39 1zaq s ALA 32 Cb 0.00 -3.04 0.09 0.00 0.00 0.00 0.00 23.12 20.17 1zaq s ALA 32 CO 0.00 -1.55 0.70 -2.14 0.00 0.00 0.00 175.76 172.76 1zaq s PRO 33 N -5.33 3.06 0.87 0.00 0.02 -1.26 -1.23 135.00 131.13 1zaq s PRO 33 Ca 0.60 -1.21 -0.11 0.00 0.02 0.00 0.00 61.00 60.30 1zaq s PRO 33 Cb -0.12 -4.23 0.18 0.00 0.02 0.00 0.00 34.50 30.35 1zaq s PRO 33 CO 0.52 -1.48 0.40 0.44 -0.33 0.00 0.00 177.00 176.55 1zaq n ILE 34 N 5.57 0.00 -0.22 2.83 -0.00 -1.26 -4.92 119.36 121.36 1zaq n ILE 34 Ca -0.09 0.00 0.03 0.00 -0.00 0.00 0.00 62.75 62.69 1zaq n ILE 34 Cb 0.43 -0.46 0.07 0.00 -0.00 0.00 0.00 39.64 39.68 1zaq n ILE 34 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1zaq n PRO 35 N -1.79 2.76 0.00 6.28 -0.04 -1.26 -4.61 135.00 136.35 1zaq n PRO 35 Ca 0.06 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 1zaq n PRO 35 Cb 0.28 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1zaq n PRO 35 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1zaq n HIS 36 N -0.35 0.00 -3.88 0.54 1.44 -1.26 -5.04 115.22 106.67 1zaq n HIS 36 Ca 0.06 -0.03 -0.22 0.00 -2.01 0.00 0.00 57.72 55.52 1zaq n HIS 36 Cb 0.37 -0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.31 1zaq n HIS 36 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1zaq s GLU 37 N -0.06 0.67 -1.00 -1.40 2.56 -1.26 -5.07 118.70 113.14 1zaq s GLU 37 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 54.97 54.95 1zaq s GLU 37 Cb 0.00 -0.92 0.25 0.00 2.00 0.00 0.00 34.13 35.46 1zaq s GLU 37 CO 0.00 -0.23 0.94 -1.25 -0.56 0.00 0.00 175.26 174.16 1zaq s PRO 38 N 1.63 3.74 0.00 4.30 0.04 -1.26 -4.29 135.00 139.15 1zaq s PRO 38 Ca -0.00 -3.22 0.00 0.00 0.04 0.00 0.00 61.00 57.82 1zaq s PRO 38 Cb -0.13 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1zaq s PRO 38 CO -0.04 -1.25 0.00 -2.39 0.04 0.00 0.00 177.00 173.36 1zaq n HIS 39 N 2.57 0.00 -4.34 0.56 1.44 -1.25 -3.82 115.22 110.38 1zaq n HIS 39 Ca 0.22 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.67 1zaq n HIS 39 Cb 0.38 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.41 1zaq n HIS 39 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1zaq s ARG 40 N 0.00 2.14 0.26 -1.40 0.52 -1.25 -3.73 118.95 115.48 1zaq s ARG 40 Ca 0.00 -1.99 -0.17 0.00 -0.52 0.00 0.00 55.73 53.05 1zaq s ARG 40 Cb 0.00 -1.83 0.01 0.00 0.52 0.00 0.00 34.95 33.64 1zaq s ARG 40 CO 0.00 -0.14 0.58 0.00 0.02 0.00 0.00 175.30 175.76 1zaq s GLN 42 N -3.97 0.28 0.00 0.00 -0.21 -0.36 -4.73 119.66 110.66 1zaq s GLN 42 Ca 0.17 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.22 1zaq s GLN 42 Cb -0.03 -1.77 0.00 0.00 1.00 0.00 0.00 33.01 32.21 1zaq s GLN 42 CO 0.07 -0.76 0.00 -1.33 -2.12 0.00 0.00 175.29 171.15 1zaq n MET 43 N 5.19 -1.02 0.00 2.91 2.81 -1.26 -1.65 117.12 124.09 1zaq n MET 43 Ca -0.07 0.98 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 1zaq n MET 43 Cb 0.47 -0.68 0.00 0.00 -0.71 0.00 0.00 33.22 32.30 1zaq n MET 43 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82