#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrj s SER -5 N 0.00 7.08 -0.35 1.61 0.01 -1.26 -5.04 113.70 115.75 1zrj s SER -5 Ca 0.00 1.29 -0.11 0.00 1.31 0.00 0.00 55.95 58.45 1zrj s SER -5 Cb 0.00 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.81 1zrj s SER -5 CO 0.00 -0.01 0.19 -0.44 0.41 0.00 0.00 173.24 173.39 1zrj s SER -4 N 0.19 5.70 -0.13 2.44 0.01 -1.26 -5.07 113.70 115.59 1zrj s SER -4 Ca 0.36 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1zrj s SER -4 Cb -0.19 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 1zrj s SER -4 CO 0.20 -0.29 -0.15 -0.83 0.41 0.00 0.00 173.24 172.58 1zrj s GLY -3 N 1.60 1.50 -0.16 3.44 0.00 -1.26 -5.10 107.32 107.34 1zrj s GLY -3 Ca 0.04 -0.92 -0.09 0.00 0.00 0.00 0.00 44.72 43.74 1zrj s GLY -3 CO 0.07 -0.17 0.40 -1.35 0.00 0.00 0.00 173.10 172.05 1zrj s SER -2 N 0.42 -0.49 0.03 1.64 1.04 -1.26 -5.13 113.70 109.96 1zrj s SER -2 Ca -0.11 0.86 -0.37 0.00 0.48 0.00 0.00 55.95 56.81 1zrj s SER -2 Cb -0.16 0.75 -0.16 0.00 0.10 0.00 0.00 66.02 66.55 1zrj s SER -2 CO 0.05 -0.19 1.45 -1.54 0.98 0.00 0.00 173.24 173.99 1zrj n SER -1 N 4.15 1.97 0.00 7.02 3.41 -1.26 -4.83 113.62 124.08 1zrj n SER -1 Ca -0.23 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.49 1zrj n SER -1 Cb 0.55 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 1zrj n SER -1 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1zrj n GLY 0 N 2.94 1.48 3.76 5.00 0.00 -1.26 -5.14 105.19 111.97 1zrj n GLY 0 Ca 0.20 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 1zrj n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1zrj s MET 1 N -0.07 4.14 -0.95 1.61 0.00 -1.26 -5.03 119.30 117.74 1zrj s MET 1 Ca 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 55.69 55.69 1zrj s MET 1 Cb 0.00 -3.38 0.18 0.00 0.00 0.00 0.00 34.83 31.63 1zrj s MET 1 CO 0.00 0.34 1.05 0.16 0.00 0.00 0.00 175.02 176.58 1zrj s ASP 2 N 0.13 6.80 0.35 1.11 1.47 -1.26 -4.85 116.67 120.41 1zrj s ASP 2 Ca 0.18 -2.52 0.06 0.00 1.18 0.00 0.00 52.55 51.46 1zrj s ASP 2 Cb -0.14 -2.32 0.64 0.00 -0.34 0.00 0.00 42.92 40.77 1zrj s ASP 2 CO 0.06 -0.79 1.86 1.62 0.68 0.00 0.00 175.17 178.60 1zrj h VAL 3 N 5.15 1.20 -0.13 2.11 3.04 -1.97 -2.26 116.25 123.39 1zrj h VAL 3 Ca 0.17 -0.87 0.04 0.00 -1.01 0.00 0.00 66.70 65.02 1zrj h VAL 3 Cb 1.00 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 1zrj h VAL 3 CO 1.00 0.28 0.33 0.03 -1.01 0.00 0.00 177.57 178.21 1zrj h ARG 4 N 0.37 0.00 -1.01 4.17 3.08 -1.95 0.17 114.38 119.22 1zrj h ARG 4 Ca 0.07 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.81 1zrj h ARG 4 Cb 0.41 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.27 1zrj h ARG 4 CO 0.02 0.00 0.39 0.54 -1.07 0.00 0.00 179.97 179.86 1zrj n ARG 5 N -3.20 1.75 -3.87 0.04 1.74 -0.85 -4.79 116.66 107.48 1zrj n ARG 5 Ca 0.01 -1.79 -0.27 0.00 -0.77 0.00 0.00 57.85 55.02 1zrj n ARG 5 Cb 0.42 -1.70 -0.17 0.00 -1.02 0.00 0.00 32.46 29.99 1zrj n ARG 5 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1zrj s LEU 6 N -1.96 1.42 1.27 0.55 1.43 0.61 -5.10 118.68 116.90 1zrj s LEU 6 Ca 0.34 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.68 1zrj s LEU 6 Cb 0.29 -0.83 0.29 0.00 0.03 0.00 0.00 46.19 45.97 1zrj s LEU 6 CO 0.06 -0.19 0.72 0.29 0.23 0.00 0.00 176.35 177.47 1zrj n LYS 7 N 4.93 -3.32 -0.24 1.70 5.02 -1.26 -4.49 118.16 120.49 1zrj n LYS 7 Ca -0.11 -0.97 -0.01 0.00 -2.02 0.00 0.00 58.31 55.20 1zrj n LYS 7 Cb 0.48 -1.91 0.11 0.00 -0.02 0.00 0.00 35.03 33.69 1zrj n LYS 7 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1zrj h VAL 8 N -3.00 0.96 -0.65 -0.18 -1.51 -1.99 -0.91 116.25 108.96 1zrj h VAL 8 Ca -0.48 -0.25 -0.02 0.00 -1.23 0.00 0.00 66.70 64.73 1zrj h VAL 8 Cb 1.26 0.19 -0.03 0.00 -2.13 0.00 0.00 31.29 30.58 1zrj h VAL 8 CO 0.34 0.13 0.34 0.78 -1.23 0.00 0.00 177.57 177.93 1zrj h ASN 9 N 0.72 0.81 -0.29 4.19 -0.26 -1.99 0.91 115.58 119.66 1zrj h ASN 9 Ca 0.32 -0.07 -0.08 0.00 -0.56 0.00 0.00 56.30 55.91 1zrj h ASN 9 Cb 0.21 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1zrj h ASN 9 CO -0.19 0.67 -0.13 -0.33 -1.06 0.00 0.00 177.43 176.39 1zrj h GLU 10 N 0.91 0.60 -0.48 0.81 4.39 -1.58 -2.35 114.58 116.89 1zrj h GLU 10 Ca 0.23 -0.26 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 1zrj h GLU 10 Cb 0.05 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1zrj h GLU 10 CO -0.04 0.83 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.37 1zrj h LEU 11 N 0.35 0.98 -0.54 1.33 3.38 -0.86 -2.65 115.31 117.29 1zrj h LEU 11 Ca 0.07 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1zrj h LEU 11 Cb 0.64 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1zrj h LEU 11 CO 0.04 1.14 0.34 0.03 0.09 0.00 0.00 178.44 180.08 1zrj h ARG 12 N 0.83 0.72 -0.53 1.13 3.08 -0.79 0.21 114.38 119.04 1zrj h ARG 12 Ca 0.11 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1zrj h ARG 12 Cb 0.76 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1zrj h ARG 12 CO 0.06 0.50 0.29 0.93 -1.07 0.00 0.00 179.97 180.68 1zrj h GLU 13 N 0.73 0.74 -0.22 0.04 4.39 -1.34 0.41 114.58 119.33 1zrj h GLU 13 Ca 0.20 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 1zrj h GLU 13 Cb -0.05 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 1zrj h GLU 13 CO -0.04 0.58 -0.07 0.93 -1.16 0.00 0.00 179.01 179.25 1zrj h GLU 14 N 0.71 0.43 -0.49 2.33 5.08 -1.15 -1.75 114.58 119.74 1zrj h GLU 14 Ca 0.19 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1zrj h GLU 14 Cb 0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1zrj h GLU 14 CO -0.03 0.69 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.55 1zrj h LEU 15 N 0.15 0.83 -0.35 1.33 3.38 -0.43 -1.46 115.31 118.76 1zrj h LEU 15 Ca 0.05 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1zrj h LEU 15 Cb 0.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1zrj h LEU 15 CO 0.03 0.92 0.07 -0.61 0.09 0.00 0.00 178.44 178.94 1zrj h GLN 16 N 0.78 0.57 0.00 1.13 4.15 -0.13 0.23 115.11 121.84 1zrj h GLN 16 Ca 0.14 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1zrj h GLN 16 Cb 0.54 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1zrj h GLN 16 CO 0.03 0.63 -0.22 0.07 -1.93 0.00 0.00 178.83 177.41 1zrj h ARG 17 N 0.41 0.00 -0.31 1.69 0.11 -1.19 -2.21 114.38 112.90 1zrj h ARG 17 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 1zrj h ARG 17 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 1zrj h ARG 17 CO 0.00 0.22 0.00 0.54 0.10 0.00 0.00 179.97 180.83 1zrj n ARG 18 N -3.50 1.71 -1.52 0.08 1.74 -0.56 -4.88 116.66 109.72 1zrj n ARG 18 Ca -0.01 -1.10 -0.18 0.00 -0.77 0.00 0.00 57.85 55.79 1zrj n ARG 18 Cb 0.38 -1.24 -0.08 0.00 -1.02 0.00 0.00 32.46 30.50 1zrj n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1zrj n GLY 19 N 0.99 1.76 3.91 -0.13 0.00 -0.83 -4.97 105.19 105.91 1zrj n GLY 19 Ca 0.10 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1zrj n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zrj s LEU 20 N -4.07 4.34 0.31 0.99 1.43 0.76 -5.02 118.68 117.41 1zrj s LEU 20 Ca 0.00 0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 53.21 1zrj s LEU 20 Cb 0.00 -3.01 -0.14 0.00 0.03 0.00 0.00 46.19 43.07 1zrj s LEU 20 CO 0.00 0.15 1.04 -0.67 0.23 0.00 0.00 176.35 177.11 1zrj n ASP 21 N 0.34 1.49 -1.59 2.29 -0.08 -1.26 -4.04 116.55 113.69 1zrj n ASP 21 Ca -0.05 1.17 -0.13 0.00 -1.51 0.00 0.00 54.79 54.27 1zrj n ASP 21 Cb 0.51 -1.32 0.17 0.00 2.34 0.00 0.00 41.12 42.83 1zrj n ASP 21 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1zrj n THR 22 N 0.18 2.81 -3.56 5.18 -2.24 -1.26 -4.83 114.28 110.56 1zrj n THR 22 Ca 0.09 -2.70 -0.21 0.00 -2.27 0.00 0.00 64.05 58.96 1zrj n THR 22 Cb 0.33 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.04 1zrj n THR 22 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1zrj s ARG 23 N -3.35 2.60 0.00 -0.78 0.52 -1.26 -5.01 118.95 111.67 1zrj s ARG 23 Ca 0.50 -1.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 1zrj s ARG 23 Cb 0.43 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 33.47 1zrj s ARG 23 CO 0.02 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.61 1zrj n GLY 24 N -1.54 1.23 3.57 -3.53 0.00 -1.26 -4.52 105.19 99.13 1zrj n GLY 24 Ca 0.03 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.86 1zrj n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zrj s LEU 25 N -0.60 0.76 0.13 0.99 1.43 -1.26 -4.63 118.68 115.50 1zrj s LEU 25 Ca 0.00 0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 53.78 1zrj s LEU 25 Cb 0.00 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1zrj s LEU 25 CO 0.00 -3.99 1.66 0.50 0.23 0.00 0.00 176.35 174.75 1zrj h LYS 26 N -2.48 -0.24 -0.75 1.70 3.64 -1.98 0.11 116.57 116.58 1zrj h LYS 26 Ca -0.50 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1zrj h LYS 26 Cb 1.32 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.14 1zrj h LYS 26 CO 0.43 -0.16 0.47 0.00 -2.27 0.00 0.00 179.45 177.92 1zrj h ALA 27 N 0.75 1.00 -0.25 5.00 0.00 -1.98 -1.54 119.26 122.23 1zrj h ALA 27 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1zrj h ALA 27 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1zrj h ALA 27 CO -0.24 0.25 0.16 0.93 0.00 0.00 0.00 179.25 180.36 1zrj h GLU 28 N 0.90 0.33 -0.90 0.00 4.39 -1.73 -1.95 114.58 115.63 1zrj h GLU 28 Ca 0.31 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.00 1zrj h GLU 28 Cb 0.05 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 1zrj h GLU 28 CO -0.13 0.23 0.59 -0.07 -1.16 0.00 0.00 179.01 178.47 1zrj h LEU 29 N 0.34 1.02 -0.53 1.33 3.38 -0.58 -1.82 115.31 118.44 1zrj h LEU 29 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1zrj h LEU 29 Cb -0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1zrj h LEU 29 CO -0.02 0.73 0.35 0.00 0.09 0.00 0.00 178.44 179.58 1zrj h ALA 30 N 1.34 0.68 -0.75 1.53 0.00 -0.91 -1.54 119.26 119.61 1zrj h ALA 30 Ca 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1zrj h ALA 30 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1zrj h ALA 30 CO -0.08 0.13 0.34 0.93 0.00 0.00 0.00 179.25 180.56 1zrj h GLU 31 N 0.72 1.09 -0.35 0.00 5.08 -0.90 -1.03 114.58 119.19 1zrj h GLU 31 Ca 0.19 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1zrj h GLU 31 Cb -0.07 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1zrj h GLU 31 CO -0.04 0.87 0.18 -0.09 -1.00 0.00 0.00 179.01 178.93 1zrj h ARG 32 N 1.06 0.50 -0.36 2.33 2.43 -0.96 0.74 114.38 120.12 1zrj h ARG 32 Ca 0.26 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1zrj h ARG 32 Cb 0.15 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1zrj h ARG 32 CO -0.03 0.43 0.12 1.25 -1.51 0.00 0.00 179.97 180.23 1zrj h LEU 33 N 0.44 0.51 -0.89 3.80 5.85 -1.07 -2.71 115.31 121.24 1zrj h LEU 33 Ca 0.12 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1zrj h LEU 33 Cb 0.08 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1zrj h LEU 33 CO -0.02 0.57 0.22 -0.61 -0.34 0.00 0.00 178.44 178.26 1zrj h GLN 34 N 0.43 1.04 -0.95 1.25 5.75 -1.03 -2.06 115.11 119.54 1zrj h GLN 34 Ca 0.12 -0.21 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 1zrj h GLN 34 Cb 0.23 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 1zrj h GLN 34 CO -0.01 0.88 0.61 0.00 -2.65 0.00 0.00 178.83 177.67 1zrj h ALA 35 N 1.23 1.30 -0.24 3.38 0.00 -0.63 0.13 119.26 124.45 1zrj h ALA 35 Ca 0.22 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1zrj h ALA 35 Cb 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1zrj h ALA 35 CO -0.01 0.43 -0.43 0.00 0.00 0.00 0.00 179.25 179.23 1zrj h ALA 36 N 1.42 0.37 -0.35 0.00 0.00 -1.17 -3.25 119.26 116.28 1zrj h ALA 36 Ca 0.40 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1zrj h ALA 36 Cb 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1zrj h ALA 36 CO -0.16 0.50 0.12 -0.07 0.00 0.00 0.00 179.25 179.64 1zrj h LEU 37 N 0.43 0.50 -8.56 0.00 3.38 -0.87 -3.39 115.31 106.79 1zrj h LEU 37 Ca 0.01 -0.19 -0.68 0.00 0.09 0.00 0.00 57.88 57.11 1zrj h LEU 37 Cb 1.03 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 41.48 1zrj h LEU 37 CO 0.10 0.56 -0.10 -0.55 0.09 0.00 0.00 178.44 178.53 1zrj s SER 38 N -5.85 6.24 0.00 -0.43 0.15 0.43 -4.97 113.70 109.26 1zrj s SER 38 Ca -0.13 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1zrj s SER 38 Cb 0.09 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1zrj s SER 38 CO 0.75 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1zrj n GLY 39 N 5.08 3.75 3.75 9.45 0.00 -1.26 -4.70 105.19 121.26 1zrj n GLY 39 Ca -0.05 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1zrj n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1zrj s PRO 40 N -2.02 4.43 -0.30 1.61 0.04 -1.26 -5.03 135.00 132.48 1zrj s PRO 40 Ca 0.00 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.04 1zrj s PRO 40 Cb 0.00 -3.16 0.16 0.00 0.04 0.00 0.00 34.50 31.55 1zrj s PRO 40 CO 0.00 -0.14 0.65 -1.12 0.04 0.00 0.00 177.00 176.43 1zrj s SER 41 N -0.15 -1.23 -0.17 6.66 0.01 -1.26 -5.14 113.70 112.43 1zrj s SER 41 Ca 0.52 1.14 -0.01 0.00 1.31 0.00 0.00 55.95 58.91 1zrj s SER 41 Cb -0.37 2.18 0.04 0.00 0.21 0.00 0.00 66.02 68.09 1zrj s SER 41 CO 0.43 -0.23 -0.03 -0.44 0.41 0.00 0.00 173.24 173.38 1zrj s SER 42 N 2.86 2.78 0.00 2.44 0.01 -1.26 -5.29 113.70 115.24 1zrj s SER 42 Ca 0.08 -0.67 0.31 0.00 1.31 0.00 0.00 55.95 56.99 1zrj s SER 42 Cb -0.13 -0.82 1.78 0.00 0.21 0.00 0.00 66.02 67.06 1zrj s SER 42 CO -0.20 -0.21 2.16 0.61 0.41 0.00 0.00 173.24 176.00