#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 2.87 -0.45 3.49 0.04 -1.26 -4.60 135.00 135.09 1zaq s PRO 2 Ca 0.00 -0.87 0.06 0.00 0.04 0.00 0.00 61.00 60.22 1zaq s PRO 2 Cb 0.00 -5.22 0.30 0.00 0.04 0.00 0.00 34.50 29.62 1zaq s PRO 2 CO 0.00 -3.24 1.09 1.33 0.04 0.00 0.00 177.00 176.22 1zaq n VAL 3 N 7.53 0.00 -3.74 -0.36 0.24 -1.26 -5.13 118.33 115.61 1zaq n VAL 3 Ca 0.41 -1.42 -0.13 0.00 -2.04 0.00 0.00 64.34 61.16 1zaq n VAL 3 Cb 0.47 1.46 -0.10 0.00 -1.47 0.00 0.00 33.84 34.20 1zaq n VAL 3 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1zaq s ASP 4 N -1.28 -0.40 0.18 -1.34 2.15 -1.26 -5.03 116.67 109.69 1zaq s ASP 4 Ca 0.24 0.75 -0.22 0.00 0.43 0.00 0.00 52.55 53.76 1zaq s ASP 4 Cb 0.27 0.77 0.10 0.00 -0.30 0.00 0.00 42.92 43.76 1zaq s ASP 4 CO -0.11 -0.14 1.59 -0.65 -0.17 0.00 0.00 175.17 175.69 1zaq h PRO 5 N 5.48 -0.19 -1.72 4.34 0.10 -2.01 0.12 132.00 138.12 1zaq h PRO 5 Ca -0.27 0.01 -0.50 0.00 0.10 0.00 0.00 66.00 65.34 1zaq h PRO 5 Cb 1.18 0.04 -0.19 0.00 0.10 0.00 0.00 31.00 32.13 1zaq h PRO 5 CO 0.27 -0.13 0.55 0.00 0.10 0.00 0.00 178.00 178.79 1zaq h PHE 7 N 2.40 0.00 -1.23 0.00 3.04 -1.08 -1.60 116.94 118.48 1zaq h PHE 7 Ca 0.41 0.00 0.36 0.00 3.98 0.00 0.00 57.97 62.73 1zaq h PHE 7 Cb 0.70 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 39.11 1zaq h PHE 7 CO 1.23 0.00 0.81 0.00 -2.02 0.00 0.00 178.31 178.33 1zaq h ARG 8 N 0.00 0.18 -0.02 1.11 3.08 -1.84 -3.03 114.38 113.86 1zaq h ARG 8 Ca 0.01 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1zaq h ARG 8 Cb 0.53 -0.04 -0.22 0.00 0.08 0.00 0.00 29.97 30.32 1zaq h ARG 8 CO -0.00 0.12 -0.55 0.00 -1.07 0.00 0.00 179.97 178.47 1zaq n ALA 9 N -2.56 3.22 -2.81 0.04 0.00 -0.69 -5.07 120.51 112.64 1zaq n ALA 9 Ca 0.31 -1.30 -0.02 0.00 0.00 0.00 0.00 53.44 52.43 1zaq n ALA 9 Cb 1.22 -0.52 -0.02 0.00 0.00 0.00 0.00 19.45 20.14 1zaq n ALA 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1zaq n ASN 10 N -0.02 -5.37 -1.44 0.00 3.02 -0.70 -4.82 115.26 105.94 1zaq n ASN 10 Ca -0.15 1.18 -0.03 0.00 -0.03 0.00 0.00 54.58 55.54 1zaq n ASN 10 Cb 0.85 -4.20 -0.01 0.00 -0.61 0.00 0.00 39.78 35.81 1zaq n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1zaq n GLU 12 N -0.13 0.00 0.00 0.00 4.07 -1.22 -4.47 120.64 118.89 1zaq n GLU 12 Ca 0.00 -0.50 0.00 0.00 -0.06 0.00 0.00 57.16 56.61 1zaq n GLU 12 Cb 0.13 0.25 0.00 0.00 -0.06 0.00 0.00 31.44 31.76 1zaq n GLU 12 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 1zaq n TYR 13 N 0.00 0.00 -1.75 4.31 9.36 -1.26 -4.98 117.16 122.84 1zaq n TYR 13 Ca -0.14 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.66 1zaq n TYR 13 Cb 0.60 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.29 1zaq n TYR 13 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 1zaq s GLN 14 N 0.00 4.12 -0.17 2.98 2.00 -1.26 -4.91 119.66 122.41 1zaq s GLN 14 Ca 0.00 2.60 0.01 0.00 -2.00 0.00 0.00 55.36 55.97 1zaq s GLN 14 Cb 0.00 -3.04 0.03 0.00 0.80 0.00 0.00 33.01 30.80 1zaq s GLN 14 CO 0.00 -0.68 -0.16 0.00 -0.50 0.00 0.00 175.29 173.95 1zaq n GLN 16 N 4.68 2.21 -1.55 0.00 6.02 -1.12 -4.98 117.38 122.64 1zaq n GLN 16 Ca -0.18 -4.08 -0.30 0.00 -0.01 0.00 0.00 57.00 52.43 1zaq n GLN 16 Cb 0.49 -1.92 -0.06 0.00 1.02 0.00 0.00 30.24 29.77 1zaq n GLN 16 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1zaq n PRO 17 N -0.08 0.77 0.00 -1.09 -0.01 -1.26 -3.04 135.00 130.29 1zaq n PRO 17 Ca 0.27 -0.23 0.00 0.00 -0.01 0.00 0.00 63.50 63.53 1zaq n PRO 17 Cb 0.58 -3.22 0.00 0.00 -0.01 0.00 0.00 33.50 30.85 1zaq n PRO 17 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 175.50 176.96 1zaq n LEU 18 N 15.74 0.00 -2.83 2.45 -0.00 -0.49 -4.73 117.00 127.15 1zaq n LEU 18 Ca 0.44 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 56.18 1zaq n LEU 18 Cb 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.84 1zaq n LEU 18 CO 0.71 0.00 0.14 -0.46 -0.00 0.00 0.00 177.39 177.78 1zaq n ASN 19 N 0.00 4.39 0.00 1.45 6.94 -0.81 -4.81 115.26 122.41 1zaq n ASN 19 Ca 0.00 -3.66 0.00 0.00 -0.02 0.00 0.00 54.58 50.90 1zaq n ASN 19 Cb 0.00 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 36.88 1zaq n ASN 19 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1zaq n GLN 20 N -0.29 0.00 -0.95 -3.83 7.27 -1.26 -4.10 117.38 114.22 1zaq n GLN 20 Ca 0.33 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.33 1zaq n GLN 20 Cb 0.47 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.06 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 0.00 -0.97 1.69 -2.24 -1.26 -5.13 114.28 106.37 1zaq n THR 21 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1zaq n THR 21 Cb 0.00 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.01 0.85 -0.99 3.42 7.64 -1.26 -5.10 113.62 118.19 1zaq n SER 22 Ca -0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1zaq n SER 22 Cb 0.68 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 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 0.00 -0.42 0.00 1.43 4.01 -1.26 -1.40 117.16 119.53 1zaq n TYR 23 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1zaq n TYR 23 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1zaq n TYR 23 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1zaq n LEU 24 N 0.00 0.00 -4.94 7.72 7.94 -1.17 -3.72 117.00 122.83 1zaq n LEU 24 Ca 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.66 1zaq n LEU 24 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1zaq n LEU 24 CO 0.00 0.00 0.25 0.00 -1.11 0.00 0.00 177.39 176.53 1zaq n VAL 26 N -1.93 0.00 0.11 0.00 0.31 -0.75 -3.55 118.33 112.54 1zaq n VAL 26 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1zaq n VAL 26 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 -3.50 0.00 -3.41 0.00 0.00 -1.26 -4.29 120.51 108.05 1zaq n ALA 28 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1zaq n ALA 28 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1zaq n ALA 28 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1zaq s GLU 29 N 4.68 0.30 0.00 0.00 -1.05 -1.26 -4.84 118.70 116.53 1zaq s GLU 29 Ca 0.00 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.73 1zaq s GLU 29 Cb 0.00 -0.73 0.00 0.00 -0.44 0.00 0.00 34.13 32.96 1zaq s GLU 29 CO 0.00 -0.97 0.00 0.41 0.95 0.00 0.00 175.26 175.65 1zaq n GLY 30 N 5.31 1.63 0.00 -3.83 0.00 -1.26 -5.04 105.19 101.99 1zaq n GLY 30 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1zaq n GLY 30 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1zaq n PHE 31 N -1.37 0.00 -3.64 1.61 1.16 -1.26 -4.37 117.46 109.59 1zaq n PHE 31 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.30 1zaq n PHE 31 Cb 0.00 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.75 1zaq n PHE 31 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1zaq s ALA 32 N -3.06 2.23 0.14 1.98 0.00 -0.57 -4.68 121.76 117.80 1zaq s ALA 32 Ca 0.00 -2.79 -0.34 0.00 0.00 0.00 0.00 51.96 48.83 1zaq s ALA 32 Cb 0.00 -1.84 -0.16 0.00 0.00 0.00 0.00 23.12 21.11 1zaq s ALA 32 CO 0.00 -2.05 1.12 -2.30 0.00 0.00 0.00 175.76 172.53 1zaq n PRO 33 N 2.99 0.91 -1.80 0.00 -0.02 -1.26 -2.29 135.00 133.53 1zaq n PRO 33 Ca 0.18 0.33 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 1zaq n PRO 33 Cb 0.39 -1.80 0.06 0.00 -0.02 0.00 0.00 33.50 32.13 1zaq n PRO 33 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1zaq s ILE 34 N -0.15 3.32 -2.16 4.25 -1.09 -1.24 -4.88 121.20 119.24 1zaq s ILE 34 Ca 0.76 0.43 0.23 0.00 -2.23 0.00 0.00 60.65 59.83 1zaq s ILE 34 Cb -0.93 -3.36 0.56 0.00 -1.58 0.00 0.00 42.46 37.15 1zaq s ILE 34 CO 0.53 -0.56 1.74 -2.65 -1.23 0.00 0.00 174.94 172.76 1zaq n PRO 35 N -3.12 1.33 -0.18 2.79 -0.02 -1.26 -3.90 135.00 130.64 1zaq n PRO 35 Ca 0.07 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 1zaq n PRO 35 Cb 0.57 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 1zaq n PRO 35 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1zaq n HIS 36 N -0.32 0.00 -3.58 6.00 1.44 -1.26 -5.06 115.22 112.44 1zaq n HIS 36 Ca 0.17 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.65 1zaq n HIS 36 Cb 0.20 0.07 -0.16 0.00 0.12 0.00 0.00 29.99 30.22 1zaq n HIS 36 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1zaq s GLU 37 N 0.00 0.09 -0.11 -1.40 2.02 -1.25 -4.99 118.70 113.05 1zaq s GLU 37 Ca 0.00 0.06 0.08 0.00 0.02 0.00 0.00 54.97 55.13 1zaq s GLU 37 Cb 0.00 -1.51 -0.24 0.00 0.10 0.00 0.00 34.13 32.49 1zaq s GLU 37 CO 0.00 -0.63 0.40 -0.35 0.02 0.00 0.00 175.26 174.70 1zaq n PRO 38 N 5.29 0.68 0.00 0.39 -0.04 -1.26 -3.67 135.00 136.39 1zaq n PRO 38 Ca -0.06 0.22 0.14 0.00 -0.04 0.00 0.00 63.50 63.76 1zaq n PRO 38 Cb 0.49 -1.70 0.65 0.00 -0.04 0.00 0.00 33.50 32.90 1zaq n PRO 38 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1zaq n HIS 39 N -3.12 0.00 -3.80 0.54 1.44 -1.23 -3.74 115.22 105.31 1zaq n HIS 39 Ca -0.26 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.27 1zaq n HIS 39 Cb 1.07 -0.32 -0.17 0.00 0.12 0.00 0.00 29.99 30.69 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 -2.71 0.13 0.10 -1.40 0.52 -1.24 -3.45 118.95 110.89 1zaq s ARG 40 Ca 0.23 0.19 -0.05 0.00 -0.52 0.00 0.00 55.73 55.58 1zaq s ARG 40 Cb 0.20 -0.46 -0.02 0.00 0.52 0.00 0.00 34.95 35.18 1zaq s ARG 40 CO 0.50 -0.21 0.11 0.00 0.02 0.00 0.00 175.30 175.72 1zaq s GLN 42 N -3.93 2.69 -0.83 0.00 -0.21 -0.97 -4.81 119.66 111.60 1zaq s GLN 42 Ca 0.11 -0.93 -0.18 0.00 0.02 0.00 0.00 55.36 54.38 1zaq s GLN 42 Cb 0.06 -5.21 -0.21 0.00 1.00 0.00 0.00 33.01 28.65 1zaq s GLN 42 CO -0.06 -3.55 2.18 0.00 -2.12 0.00 0.00 175.29 171.74 1zaq n MET 43 N 8.52 0.27 0.00 2.91 0.00 -1.26 -1.52 117.12 126.04 1zaq n MET 43 Ca 0.43 -0.59 0.00 0.00 0.00 0.00 0.00 57.70 57.54 1zaq n MET 43 Cb 0.47 -2.60 0.00 0.00 0.00 0.00 0.00 33.22 31.09 1zaq n MET 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31