#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zaq n PRO 2 N 0.00 0.51 -3.67 3.49 -0.02 -1.26 -4.85 135.00 129.21 1zaq n PRO 2 Ca 0.00 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 1zaq n PRO 2 Cb 0.00 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.01 1zaq n PRO 2 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1zaq s VAL 3 N 10.19 -0.01 -0.07 -1.45 1.01 -1.26 -5.15 120.40 123.66 1zaq s VAL 3 Ca 1.18 0.03 0.02 0.00 0.00 0.00 0.00 61.98 63.21 1zaq s VAL 3 Cb -0.78 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1zaq s VAL 3 CO 0.40 0.01 -0.13 -1.81 0.00 0.00 0.00 175.10 173.57 1zaq s ASP 4 N 1.23 4.12 0.01 3.32 1.11 -1.26 -5.04 116.67 120.16 1zaq s ASP 4 Ca -0.07 -0.20 -0.23 0.00 0.18 0.00 0.00 52.55 52.22 1zaq s ASP 4 Cb -0.06 -1.09 -0.13 0.00 1.07 0.00 0.00 42.92 42.71 1zaq s ASP 4 CO -0.12 0.30 1.03 1.55 1.18 0.00 0.00 175.17 179.10 1zaq h PRO 5 N 5.68 -0.81 -0.00 8.23 0.13 -1.85 -3.32 132.00 140.06 1zaq h PRO 5 Ca -0.41 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1zaq h PRO 5 Cb 1.17 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1zaq h PRO 5 CO 0.52 -0.54 -0.68 0.00 -0.23 0.00 0.00 178.00 177.07 1zaq n PHE 7 N -1.05 -2.11 0.00 0.00 7.35 -1.25 -4.83 117.46 115.57 1zaq n PHE 7 Ca 0.07 0.80 0.00 0.00 -0.76 0.00 0.00 57.45 57.56 1zaq n PHE 7 Cb 0.37 -3.35 0.00 0.00 0.35 0.00 0.00 39.48 36.85 1zaq n PHE 7 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 1zaq n ARG 8 N -1.55 0.00 -3.77 -4.13 1.85 -1.26 -5.13 116.66 102.68 1zaq n ARG 8 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.82 1zaq n ARG 8 Cb 0.50 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.90 1zaq n ARG 8 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1zaq s ALA 9 N 0.00 -1.69 -1.03 2.89 0.00 -1.26 -4.97 121.76 115.69 1zaq s ALA 9 Ca 0.00 0.08 -0.24 0.00 0.00 0.00 0.00 51.96 51.81 1zaq s ALA 9 Cb 0.00 0.63 -0.07 0.00 0.00 0.00 0.00 23.12 23.68 1zaq s ALA 9 CO 0.00 -1.05 1.95 -0.80 0.00 0.00 0.00 175.76 175.86 1zaq s ASN 10 N -3.04 5.05 -0.19 0.00 0.02 -1.26 -4.53 114.94 110.99 1zaq s ASN 10 Ca 0.14 -1.13 0.01 0.00 -1.02 0.00 0.00 52.86 50.86 1zaq s ASN 10 Cb -0.01 -2.57 0.04 0.00 0.02 0.00 0.00 41.25 38.73 1zaq s ASN 10 CO 0.02 -2.94 -0.10 0.00 0.02 0.00 0.00 177.10 174.10 1zaq n GLU 12 N 4.72 2.27 0.00 0.00 2.13 -1.14 -4.01 120.64 124.61 1zaq n GLU 12 Ca -0.14 -1.32 0.00 0.00 0.66 0.00 0.00 57.16 56.36 1zaq n GLU 12 Cb 0.47 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.63 1zaq n GLU 12 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1zaq n TYR 13 N 0.38 0.00 -1.73 4.31 9.36 -1.26 -4.92 117.16 123.31 1zaq n TYR 13 Ca 0.12 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.92 1zaq n TYR 13 Cb 0.48 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.17 1zaq n TYR 13 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1zaq n GLN 14 N 0.00 2.78 -3.94 2.98 7.27 -1.26 -4.84 117.38 120.37 1zaq n GLN 14 Ca 0.00 1.00 -0.35 0.00 0.07 0.00 0.00 57.00 57.72 1zaq n GLN 14 Cb 0.00 -2.83 -0.14 0.00 2.41 0.00 0.00 30.24 29.68 1zaq n GLN 14 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1zaq n GLN 16 N 4.67 3.65 -1.38 0.00 6.02 -0.93 -4.99 117.38 124.42 1zaq n GLN 16 Ca -0.16 -4.81 -0.58 0.00 -0.01 0.00 0.00 57.00 51.44 1zaq n GLN 16 Cb 0.46 -2.29 -0.10 0.00 1.02 0.00 0.00 30.24 29.33 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 -0.09 0.35 0.00 -1.09 -0.04 -1.20 -3.79 135.00 129.14 1zaq n PRO 17 Ca 0.34 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1zaq n PRO 17 Cb 0.36 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1zaq n PRO 17 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1zaq n LEU 18 N 7.54 0.00 0.00 1.53 4.77 -1.26 -4.73 117.00 124.85 1zaq n LEU 18 Ca 0.47 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1zaq n LEU 18 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1zaq n LEU 18 CO 0.85 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 176.45 1zaq n ASN 19 N 0.00 1.70 -0.02 -1.43 6.94 -1.26 -4.57 115.26 116.62 1zaq n ASN 19 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.55 1zaq n ASN 19 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 1zaq n ASN 19 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1zaq h GLN 20 N 0.00 -0.02 0.00 -3.83 7.50 -2.02 -3.42 115.11 113.31 1zaq h GLN 20 Ca 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.10 1zaq h GLN 20 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.48 1zaq h GLN 20 CO 0.00 -0.01 -0.11 0.25 -1.50 0.00 0.00 178.83 177.45 1zaq n THR 21 N -2.99 0.00 -2.06 -0.54 -2.24 -1.26 -4.97 114.28 100.22 1zaq n THR 21 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1zaq n THR 21 Cb 0.02 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1zaq n THR 21 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1zaq n SER 22 N 0.00 0.10 -1.20 3.42 7.64 -1.26 -5.13 113.62 117.19 1zaq n SER 22 Ca -0.11 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1zaq n SER 22 Cb 0.42 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1zaq n SER 22 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1zaq n TYR 23 N 0.06 -3.30 -3.97 1.43 4.01 -1.26 -4.88 117.16 109.26 1zaq n TYR 23 Ca 0.00 1.78 -0.16 0.00 -0.16 0.00 0.00 57.90 59.36 1zaq n TYR 23 Cb 0.73 -2.89 -0.16 0.00 -0.31 0.00 0.00 39.34 36.72 1zaq n TYR 23 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1zaq s LEU 24 N -4.65 1.42 0.00 7.72 2.96 -1.25 -4.67 118.68 120.22 1zaq s LEU 24 Ca 0.00 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 1zaq s LEU 24 Cb 0.00 -0.22 -0.00 0.00 0.50 0.00 0.00 46.19 46.47 1zaq s LEU 24 CO 0.00 -0.06 0.01 0.00 -1.32 0.00 0.00 176.35 174.98 1zaq n VAL 26 N -1.03 0.00 -0.03 0.00 0.31 -0.80 -4.24 118.33 112.53 1zaq n VAL 26 Ca -0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.13 1zaq n VAL 26 Cb 0.54 -0.62 -0.01 0.00 -0.91 0.00 0.00 33.84 32.83 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 -3.33 0.00 -3.09 0.00 0.00 -1.26 -4.25 120.51 108.59 1zaq n ALA 28 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 1zaq n ALA 28 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 1zaq n ALA 28 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1zaq n GLU 29 N 0.00 1.57 0.00 0.00 2.13 -1.26 -4.84 120.64 118.24 1zaq n GLU 29 Ca 0.00 -3.75 0.00 0.00 0.66 0.00 0.00 57.16 54.07 1zaq n GLU 29 Cb 0.00 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1zaq n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1zaq n GLY 30 N 0.12 0.11 0.00 8.31 0.00 -1.26 -5.16 105.19 107.31 1zaq n GLY 30 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 -2.91 1.61 3.01 -1.26 -4.35 117.46 113.56 1zaq n PHE 31 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.47 1zaq n PHE 31 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 -2.00 -3.75 -0.48 4.37 0.00 -1.26 -4.02 121.76 114.62 1zaq s ALA 32 Ca 0.00 0.91 -0.46 0.00 0.00 0.00 0.00 51.96 52.40 1zaq s ALA 32 Cb 0.00 -2.92 -0.20 0.00 0.00 0.00 0.00 23.12 20.00 1zaq s ALA 32 CO 0.00 -2.40 1.61 -2.30 0.00 0.00 0.00 175.76 172.67 1zaq n PRO 33 N 3.91 0.08 0.03 0.00 -0.02 -1.26 -3.63 135.00 134.10 1zaq n PRO 33 Ca 0.08 0.03 -0.02 0.00 -2.02 0.00 0.00 63.50 61.57 1zaq n PRO 33 Cb 0.61 -1.54 -0.09 0.00 -0.02 0.00 0.00 33.50 32.46 1zaq n PRO 33 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1zaq h ILE 34 N 5.01 0.60 0.00 4.25 -0.00 -1.85 -3.30 117.51 122.22 1zaq h ILE 34 Ca -0.44 -2.16 0.00 0.00 -0.00 0.00 0.00 64.86 62.26 1zaq h ILE 34 Cb 1.37 2.13 0.00 0.00 -0.00 0.00 0.00 36.82 40.32 1zaq h ILE 34 CO 0.98 0.34 0.00 -0.81 -0.00 0.00 0.00 178.15 178.66 1zaq n PRO 35 N -2.94 0.98 -1.12 2.19 -0.04 -1.26 -4.80 135.00 128.00 1zaq n PRO 35 Ca -0.10 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.31 1zaq n PRO 35 Cb 0.88 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 33.22 1zaq n PRO 35 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1zaq n HIS 36 N -0.61 0.00 -4.43 0.54 8.25 -1.24 -4.95 115.22 112.78 1zaq n HIS 36 Ca 0.05 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.30 1zaq n HIS 36 Cb 0.02 -1.65 -0.10 0.00 1.12 0.00 0.00 29.99 29.38 1zaq n HIS 36 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1zaq s GLU 37 N -1.87 1.58 -0.84 -0.41 2.02 -1.26 -5.09 118.70 112.84 1zaq s GLU 37 Ca 0.00 -1.85 -0.15 0.00 0.02 0.00 0.00 54.97 52.99 1zaq s GLU 37 Cb 0.00 -0.94 0.20 0.00 0.10 0.00 0.00 34.13 33.49 1zaq s GLU 37 CO 0.00 -0.10 0.83 -1.25 0.02 0.00 0.00 175.26 174.75 1zaq s PRO 38 N -3.83 3.58 0.00 0.39 0.04 -1.26 -4.32 135.00 129.59 1zaq s PRO 38 Ca 0.33 -2.30 0.00 0.00 0.04 0.00 0.00 61.00 59.07 1zaq s PRO 38 Cb 0.07 -4.51 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1zaq s PRO 38 CO 0.13 -1.38 0.00 -2.39 0.04 0.00 0.00 177.00 173.40 1zaq n HIS 39 N 4.52 0.00 -4.29 0.56 1.44 -1.20 -3.69 115.22 112.56 1zaq n HIS 39 Ca 0.15 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.63 1zaq n HIS 39 Cb 0.47 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.46 1zaq n HIS 39 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1zaq s ARG 40 N -0.38 1.16 0.34 -1.40 3.52 -1.26 -2.87 118.95 118.06 1zaq s ARG 40 Ca 0.00 -1.26 0.03 0.00 -0.13 0.00 0.00 55.73 54.38 1zaq s ARG 40 Cb 0.00 -1.29 -0.01 0.00 -1.56 0.00 0.00 34.95 32.08 1zaq s ARG 40 CO 0.00 0.28 0.37 0.00 -0.81 0.00 0.00 175.30 175.14 1zaq n GLN 42 N -0.61 0.60 -3.65 0.00 10.64 -1.24 -4.74 117.38 118.38 1zaq n GLN 42 Ca 0.05 -2.41 -0.28 0.00 -1.83 0.00 0.00 57.00 52.53 1zaq n GLN 42 Cb 0.62 -0.48 0.01 0.00 -0.86 0.00 0.00 30.24 29.53 1zaq n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1zaq n MET 43 N 0.06 -1.57 -0.13 2.61 -0.00 -1.26 -4.81 117.12 112.02 1zaq n MET 43 Ca 0.04 0.88 0.00 0.00 -0.00 0.00 0.00 57.70 58.61 1zaq n MET 43 Cb 1.01 -2.05 0.00 0.00 -0.00 0.00 0.00 33.22 32.18 1zaq n MET 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16