#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 3.02 -3.80 3.49 -0.02 -1.26 -4.86 135.00 131.57 1zaq n PRO 2 Ca 0.00 -2.44 -0.13 0.00 -2.02 0.00 0.00 63.50 58.92 1zaq n PRO 2 Cb 0.00 -2.30 -0.12 0.00 -0.02 0.00 0.00 33.50 31.06 1zaq n PRO 2 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1zaq s VAL 3 N -1.19 -0.00 -0.80 -1.45 0.11 -1.26 -5.08 120.40 110.72 1zaq s VAL 3 Ca 0.60 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.67 1zaq s VAL 3 Cb 0.31 -0.27 0.22 0.00 -1.53 0.00 0.00 36.38 35.11 1zaq s VAL 3 CO -0.15 0.00 0.77 -0.67 -3.33 0.00 0.00 175.10 171.73 1zaq n ASP 4 N 3.04 4.01 -4.13 3.54 2.03 -1.26 -5.03 116.55 118.75 1zaq n ASP 4 Ca -0.13 -3.27 -0.38 0.00 0.52 0.00 0.00 54.79 51.52 1zaq n ASP 4 Cb 0.58 -0.89 0.01 0.00 -0.72 0.00 0.00 41.12 40.10 1zaq n ASP 4 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1zaq n PRO 5 N 1.70 0.00 -0.86 -0.67 -0.02 -1.26 0.06 135.00 133.95 1zaq n PRO 5 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1zaq n PRO 5 Cb 0.37 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 1zaq n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1zaq n PHE 7 N -2.11 0.00 -0.02 0.00 7.35 0.11 -4.51 117.46 118.28 1zaq n PHE 7 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 1zaq n PHE 7 Cb 0.03 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.72 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 -1.21 0.65 -0.38 -4.13 1.74 -0.39 -3.88 116.66 109.06 1zaq n ARG 8 Ca 0.00 0.27 0.03 0.00 -0.77 0.00 0.00 57.85 57.39 1zaq n ARG 8 Cb 0.00 -1.76 0.18 0.00 -1.02 0.00 0.00 32.46 29.85 1zaq n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zaq n ALA 9 N -2.64 3.07 -4.37 7.54 0.00 -1.26 -4.88 120.51 117.98 1zaq n ALA 9 Ca -0.20 -0.83 -0.36 0.00 0.00 0.00 0.00 53.44 52.04 1zaq n ALA 9 Cb 1.06 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.29 -1.02 -4.80 0.00 4.13 -1.25 -4.83 115.26 107.79 1zaq n ASN 10 Ca 0.12 -1.20 -0.32 0.00 1.68 0.00 0.00 54.58 54.87 1zaq n ASN 10 Cb 0.64 -1.91 0.05 0.00 -1.54 0.00 0.00 39.78 37.03 1zaq n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1zaq n GLU 12 N -2.95 0.00 0.00 0.00 -0.58 -1.18 -4.88 120.64 111.05 1zaq n GLU 12 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1zaq n GLU 12 Cb 0.53 -0.24 0.00 0.00 -0.57 0.00 0.00 31.44 31.16 1zaq n GLU 12 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1zaq n TYR 13 N -2.09 0.00 -3.89 -0.32 9.36 -1.21 -4.97 117.16 114.04 1zaq n TYR 13 Ca 0.00 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.88 1zaq n TYR 13 Cb 0.00 -0.09 -0.05 0.00 -0.63 0.00 0.00 39.34 38.57 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 -0.76 3.46 -0.24 2.98 0.74 -1.26 -5.00 119.66 119.57 1zaq s GLN 14 Ca 0.00 -0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.14 1zaq s GLN 14 Cb 0.00 -3.10 0.06 0.00 1.10 0.00 0.00 33.01 31.07 1zaq s GLN 14 CO 0.00 0.68 -0.07 0.00 -0.55 0.00 0.00 175.29 175.35 1zaq n GLN 16 N 4.62 2.60 -1.45 0.00 6.02 -1.25 -4.75 117.38 123.17 1zaq n GLN 16 Ca -0.13 -4.20 -0.28 0.00 -0.01 0.00 0.00 57.00 52.38 1zaq n GLN 16 Cb 0.44 -1.97 -0.19 0.00 1.02 0.00 0.00 30.24 29.53 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 -0.24 0.00 0.00 -1.09 -0.04 -1.26 -3.68 135.00 128.69 1zaq n PRO 17 Ca 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1zaq n PRO 17 Cb 0.62 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 7.06 0.00 -4.09 1.53 -0.00 -1.26 -4.70 117.00 115.54 1zaq n LEU 18 Ca 0.65 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 56.33 1zaq n LEU 18 Cb 0.10 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.61 1zaq n LEU 18 CO 1.01 0.06 -1.27 -3.20 -0.00 0.00 0.00 177.39 173.99 1zaq n ASN 19 N 0.00 -2.71 -0.50 1.45 5.15 -1.26 -4.60 115.26 112.79 1zaq n ASN 19 Ca 0.00 -0.08 0.41 0.00 -0.60 0.00 0.00 54.58 54.31 1zaq n ASN 19 Cb 0.20 -0.69 0.72 0.00 -0.53 0.00 0.00 39.78 39.48 1zaq n ASN 19 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1zaq h GLN 20 N -1.60 0.06 0.00 1.20 4.20 -2.00 -3.34 115.11 113.63 1zaq h GLN 20 Ca -0.41 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1zaq h GLN 20 Cb 1.26 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1zaq h GLN 20 CO 0.26 0.04 0.00 -2.37 -0.67 0.00 0.00 178.83 176.09 1zaq n THR 21 N -4.32 0.00 -1.69 -0.54 5.66 -1.26 -5.00 114.28 107.13 1zaq n THR 21 Ca 0.36 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.36 1zaq n THR 21 Cb 1.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.34 1zaq n THR 21 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1zaq n SER 22 N 0.00 0.00 -1.14 1.09 2.88 -1.25 -5.13 113.62 110.06 1zaq n SER 22 Ca 0.00 -1.43 0.00 0.00 -1.33 0.00 0.00 58.87 56.11 1zaq n SER 22 Cb 0.00 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1zaq n SER 22 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1zaq n TYR 23 N 0.00 -3.13 -3.51 0.66 4.01 -1.26 -4.80 117.16 109.13 1zaq n TYR 23 Ca 0.00 1.69 -0.28 0.00 -0.16 0.00 0.00 57.90 59.14 1zaq n TYR 23 Cb 0.59 -2.76 -0.12 0.00 -0.31 0.00 0.00 39.34 36.74 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 -4.44 1.65 0.75 7.72 2.96 -1.24 -4.14 118.68 121.94 1zaq s LEU 24 Ca 0.00 -2.66 -0.11 0.00 -0.22 0.00 0.00 54.13 51.14 1zaq s LEU 24 Cb 0.00 -0.60 0.04 0.00 0.50 0.00 0.00 46.19 46.14 1zaq s LEU 24 CO 0.00 -0.24 1.09 0.00 -1.32 0.00 0.00 176.35 175.88 1zaq n VAL 26 N -3.25 0.00 0.00 0.00 0.31 -0.89 -3.12 118.33 111.38 1zaq n VAL 26 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 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 -1.85 0.00 -0.10 0.00 0.00 -1.26 -3.32 120.51 113.97 1zaq n ALA 28 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 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 -1.91 0.00 0.00 0.00 177.50 175.59 1zaq n GLU 29 N 0.00 0.53 -3.03 0.00 2.13 -1.26 -4.82 120.64 114.19 1zaq n GLU 29 Ca 0.00 0.12 -0.15 0.00 0.66 0.00 0.00 57.16 57.78 1zaq n GLU 29 Cb 0.00 -1.41 0.01 0.00 0.27 0.00 0.00 31.44 30.31 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 2.51 2.41 0.00 8.31 0.00 -1.26 -5.11 105.19 112.05 1zaq n GLY 30 Ca -0.36 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 0.53 -0.12 -3.84 1.61 3.01 -1.26 -3.65 117.46 113.74 1zaq n PHE 31 Ca 0.18 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.34 1zaq n PHE 31 Cb 0.65 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.97 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 1.67 -0.16 4.37 0.00 -1.26 -4.05 121.76 120.33 1zaq s ALA 32 Ca 0.00 -1.32 -0.36 0.00 0.00 0.00 0.00 51.96 50.28 1zaq s ALA 32 Cb 0.00 -1.44 -0.17 0.00 0.00 0.00 0.00 23.12 21.51 1zaq s ALA 32 CO 0.00 -1.32 1.07 -2.30 0.00 0.00 0.00 175.76 173.21 1zaq n PRO 33 N 4.78 0.00 0.00 0.00 -0.02 -1.26 -0.39 135.00 138.12 1zaq n PRO 33 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1zaq n PRO 33 Cb 0.44 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 1zaq n PRO 33 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1zaq n ILE 34 N 2.08 0.00 -0.09 4.25 0.13 -1.26 -4.69 119.36 119.77 1zaq n ILE 34 Ca 0.20 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.72 1zaq n ILE 34 Cb 0.02 0.00 -0.08 0.00 -0.84 0.00 0.00 39.64 38.74 1zaq n ILE 34 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 1zaq n PRO 35 N -1.87 0.44 -2.76 9.51 -0.05 -1.26 -4.80 135.00 134.20 1zaq n PRO 35 Ca 0.00 0.11 -0.12 0.00 -0.05 0.00 0.00 63.50 63.44 1zaq n PRO 35 Cb 0.00 -1.33 0.01 0.00 -0.05 0.00 0.00 33.50 32.14 1zaq n PRO 35 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 175.50 173.06 1zaq n HIS 36 N -3.13 1.15 -3.21 0.54 1.44 -1.26 -5.01 115.22 105.74 1zaq n HIS 36 Ca -0.32 -3.05 -0.01 0.00 -2.01 0.00 0.00 57.72 52.33 1zaq n HIS 36 Cb 0.82 -0.37 -0.02 0.00 0.12 0.00 0.00 29.99 30.54 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 -3.01 0.57 -0.76 -1.40 8.01 -1.26 -5.09 118.70 115.76 1zaq s GLU 37 Ca 0.32 0.21 -0.24 0.00 0.01 0.00 0.00 54.97 55.27 1zaq s GLU 37 Cb 0.43 0.02 0.06 0.00 -4.31 0.00 0.00 34.13 30.33 1zaq s GLU 37 CO -0.00 -1.08 1.15 -2.14 0.01 0.00 0.00 175.26 173.20 1zaq s PRO 38 N 2.49 3.25 0.00 0.39 0.02 -1.26 -3.75 135.00 136.14 1zaq s PRO 38 Ca 0.11 -0.77 0.00 0.00 0.02 0.00 0.00 61.00 60.36 1zaq s PRO 38 Cb -0.10 -4.43 0.00 0.00 0.02 0.00 0.00 34.50 29.99 1zaq s PRO 38 CO -0.22 -1.98 0.00 -2.39 -0.33 0.00 0.00 177.00 172.08 1zaq n HIS 39 N 8.30 0.00 -2.37 6.54 1.44 -1.18 -4.00 115.22 123.95 1zaq n HIS 39 Ca 0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 1zaq n HIS 39 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 1zaq n HIS 39 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 1zaq n ARG 40 N 0.00 3.93 -2.76 -1.40 1.85 -1.22 -3.11 116.66 113.95 1zaq n ARG 40 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.78 1zaq n ARG 40 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1zaq n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1zaq n GLN 42 N -0.32 2.35 -1.96 0.00 7.27 0.48 -4.69 117.38 120.51 1zaq n GLN 42 Ca -0.02 -1.45 0.00 0.00 0.07 0.00 0.00 57.00 55.60 1zaq n GLN 42 Cb 0.34 -0.97 0.00 0.00 2.41 0.00 0.00 30.24 32.02 1zaq n GLN 42 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1zaq n MET 43 N -0.51 -5.46 0.00 3.69 2.81 -1.26 -4.57 117.12 111.82 1zaq n MET 43 Ca 0.02 3.92 0.15 0.00 -1.81 0.00 0.00 57.70 59.97 1zaq n MET 43 Cb 0.33 -4.31 0.67 0.00 -0.71 0.00 0.00 33.22 29.21 1zaq n MET 43 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82