#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrj n SER -5 N 0.00 3.48 -3.37 1.61 2.88 -1.26 -5.00 113.62 111.96 1zrj n SER -5 Ca 0.00 1.21 -0.12 0.00 -1.33 0.00 0.00 58.87 58.63 1zrj n SER -5 Cb 0.00 -1.57 -0.08 0.00 -0.75 0.00 0.00 64.21 61.80 1zrj n SER -5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1zrj s SER -4 N -0.09 0.70 -0.31 -3.46 0.15 -1.26 -5.07 113.70 104.36 1zrj s SER -4 Ca 0.56 -0.16 -0.10 0.00 0.70 0.00 0.00 55.95 56.95 1zrj s SER -4 Cb -0.51 0.90 0.21 0.00 -1.71 0.00 0.00 66.02 64.91 1zrj s SER -4 CO 0.61 -0.33 1.15 -0.83 1.20 0.00 0.00 173.24 175.04 1zrj s GLY -3 N 2.48 -1.91 0.48 9.45 0.00 -1.26 -5.15 107.32 111.41 1zrj s GLY -3 Ca 0.11 0.98 -0.22 0.00 0.00 0.00 0.00 44.72 45.58 1zrj s GLY -3 CO -0.22 4.43 0.92 1.44 0.00 0.00 0.00 173.10 179.67 1zrj n SER -2 N 2.84 0.79 -4.88 1.64 7.64 -1.26 -4.97 113.62 115.41 1zrj n SER -2 Ca 0.09 0.94 -0.30 0.00 1.01 0.00 0.00 58.87 60.61 1zrj n SER -2 Cb 0.66 -1.33 -0.04 0.00 -1.01 0.00 0.00 64.21 62.49 1zrj n SER -2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1zrj s SER -1 N -0.91 6.55 0.40 6.43 1.04 -1.26 -4.95 113.70 121.00 1zrj s SER -1 Ca 0.67 0.96 0.00 0.00 0.48 0.00 0.00 55.95 58.06 1zrj s SER -1 Cb -0.51 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1zrj s SER -1 CO 0.54 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.14 1zrj n GLY 0 N -0.80 -0.83 3.23 7.32 0.00 -1.26 -4.95 105.19 107.90 1zrj n GLY 0 Ca 0.01 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.86 0.22 -0.96 1.61 -2.45 -1.26 -5.10 119.30 110.51 1zrj s MET 1 Ca 0.00 0.46 -0.13 0.00 -1.25 0.00 0.00 55.69 54.77 1zrj s MET 1 Cb 0.00 0.27 0.22 0.00 1.25 0.00 0.00 34.83 36.57 1zrj s MET 1 CO 0.00 -0.17 0.98 -0.51 1.05 0.00 0.00 175.02 176.36 1zrj s ASP 2 N 2.70 6.94 0.37 1.11 1.01 -1.26 -4.87 116.67 122.67 1zrj s ASP 2 Ca -0.00 -2.90 0.05 0.00 0.71 0.00 0.00 52.55 50.41 1zrj s ASP 2 Cb -0.08 -2.25 0.74 0.00 1.01 0.00 0.00 42.92 42.34 1zrj s ASP 2 CO -0.14 -0.57 2.01 1.62 0.21 0.00 0.00 175.17 178.30 1zrj h VAL 3 N 4.58 1.09 -0.34 -1.27 3.04 -1.97 -1.62 116.25 119.76 1zrj h VAL 3 Ca 0.15 -0.25 -0.10 0.00 -1.01 0.00 0.00 66.70 65.49 1zrj h VAL 3 Cb 0.97 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 1zrj h VAL 3 CO 0.92 0.13 -0.21 0.08 -1.01 0.00 0.00 177.57 177.48 1zrj h ARG 4 N 0.73 0.64 0.00 4.17 0.11 -1.93 -2.59 114.38 115.52 1zrj h ARG 4 Ca 0.24 -0.24 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1zrj h ARG 4 Cb 0.05 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 1zrj h ARG 4 CO -0.06 0.81 -0.18 -0.09 0.10 0.00 0.00 179.97 180.54 1zrj h ARG 5 N 0.57 0.00 -6.43 0.08 1.12 -1.71 -3.43 114.38 104.58 1zrj h ARG 5 Ca 0.09 0.00 -0.53 0.00 -1.11 0.00 0.00 59.98 58.42 1zrj h ARG 5 Cb 0.67 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.65 1zrj h ARG 5 CO 0.05 0.18 1.04 -0.51 -3.11 0.00 0.00 179.97 177.62 1zrj s LEU 6 N -7.62 4.37 1.13 3.80 1.43 -0.98 -4.97 118.68 115.84 1zrj s LEU 6 Ca -0.03 2.51 -0.13 0.00 -1.03 0.00 0.00 54.13 55.45 1zrj s LEU 6 Cb 0.14 -3.56 0.23 0.00 0.03 0.00 0.00 46.19 43.03 1zrj s LEU 6 CO 0.63 -0.92 0.84 0.29 0.23 0.00 0.00 176.35 177.42 1zrj n LYS 7 N 5.93 -1.99 -0.31 1.70 4.01 -1.26 -4.61 118.16 121.63 1zrj n LYS 7 Ca 0.17 -0.55 0.04 0.00 -0.51 0.00 0.00 58.31 57.46 1zrj n LYS 7 Cb 0.40 -2.10 0.23 0.00 -0.51 0.00 0.00 35.03 33.06 1zrj n LYS 7 CO 0.00 0.00 0.00 -0.39 -1.11 0.00 0.00 177.40 175.90 1zrj h VAL 8 N -2.44 1.06 -0.55 -0.18 -1.51 -1.95 -1.15 116.25 109.52 1zrj h VAL 8 Ca -0.57 -0.36 -0.09 0.00 -1.23 0.00 0.00 66.70 64.45 1zrj h VAL 8 Cb 1.33 -0.07 -0.02 0.00 -2.13 0.00 0.00 31.29 30.39 1zrj h VAL 8 CO 0.46 0.19 -0.01 0.78 -1.23 0.00 0.00 177.57 177.76 1zrj h ASN 9 N 1.04 0.96 -0.42 4.19 4.21 -1.99 -1.43 115.58 122.14 1zrj h ASN 9 Ca 0.40 -0.31 -0.03 0.00 1.21 0.00 0.00 56.30 57.57 1zrj h ASN 9 Cb 0.22 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.14 1zrj h ASN 9 CO -0.16 1.04 0.13 -0.33 -1.29 0.00 0.00 177.43 176.83 1zrj h GLU 10 N 0.86 0.65 -0.71 0.81 5.08 -1.66 -0.98 114.58 118.63 1zrj h GLU 10 Ca 0.15 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1zrj h GLU 10 Cb 0.55 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1zrj h GLU 10 CO 0.03 0.64 0.18 -0.07 -1.00 0.00 0.00 179.01 178.79 1zrj h LEU 11 N 0.53 1.07 -0.69 1.33 3.38 -1.15 -1.52 115.31 118.26 1zrj h LEU 11 Ca 0.13 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1zrj h LEU 11 Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1zrj h LEU 11 CO -0.00 1.02 0.02 0.03 0.09 0.00 0.00 178.44 179.60 1zrj h ARG 12 N 1.06 1.03 -0.29 1.13 3.08 -1.07 -0.78 114.38 118.55 1zrj h ARG 12 Ca 0.22 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1zrj h ARG 12 Cb 0.36 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1zrj h ARG 12 CO 0.00 1.00 -0.00 0.93 -1.07 0.00 0.00 179.97 180.82 1zrj h GLU 13 N 0.95 0.52 -0.08 0.04 5.08 -0.93 -2.14 114.58 118.02 1zrj h GLU 13 Ca 0.18 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1zrj h GLU 13 Cb 0.52 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1zrj h GLU 13 CO 0.02 0.67 0.02 0.93 -1.00 0.00 0.00 179.01 179.66 1zrj h GLU 14 N 0.31 0.13 -0.89 2.33 4.39 -1.18 -2.65 114.58 117.02 1zrj h GLU 14 Ca 0.08 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.86 1zrj h GLU 14 Cb 0.44 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.01 1zrj h GLU 14 CO 0.02 0.30 0.57 -0.07 -1.16 0.00 0.00 179.01 178.67 1zrj h LEU 15 N -0.07 0.77 -0.97 1.33 3.38 -1.14 -0.55 115.31 118.06 1zrj h LEU 15 Ca 0.03 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1zrj h LEU 15 Cb 0.23 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1zrj h LEU 15 CO -0.00 0.44 0.09 -0.61 0.09 0.00 0.00 178.44 178.45 1zrj h GLN 16 N 0.84 0.84 0.00 1.13 4.15 -1.17 0.12 115.11 121.02 1zrj h GLN 16 Ca 0.42 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.60 1zrj h GLN 16 Cb 0.48 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1zrj h GLN 16 CO -0.19 0.79 -0.22 0.00 -1.93 0.00 0.00 178.83 177.28 1zrj h ARG 17 N 0.80 0.00 -0.64 1.69 3.08 -0.77 -2.31 114.38 116.24 1zrj h ARG 17 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1zrj h ARG 17 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1zrj h ARG 17 CO 0.01 0.22 0.00 0.54 -1.07 0.00 0.00 179.97 179.67 1zrj n ARG 18 N -3.51 3.03 -2.42 0.04 1.74 -0.82 -4.92 116.66 109.80 1zrj n ARG 18 Ca -0.01 -2.39 -0.19 0.00 -0.77 0.00 0.00 57.85 54.50 1zrj n ARG 18 Cb 0.38 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 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 1.20 -0.50 3.87 -0.13 0.00 -0.87 -4.97 105.19 103.80 1zrj n GLY 19 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.94 4.19 0.32 0.99 1.43 0.34 -5.02 118.68 114.99 1zrj s LEU 20 Ca 0.01 0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.01 1zrj s LEU 20 Cb -0.00 -2.78 -0.12 0.00 0.03 0.00 0.00 46.19 43.32 1zrj s LEU 20 CO 0.01 0.18 1.35 -0.67 0.23 0.00 0.00 176.35 177.45 1zrj n ASP 21 N 0.41 2.95 -1.44 2.29 -0.08 -1.26 -4.21 116.55 115.22 1zrj n ASP 21 Ca -0.07 1.19 -0.10 0.00 -1.51 0.00 0.00 54.79 54.31 1zrj n ASP 21 Cb 0.51 -1.50 0.19 0.00 2.34 0.00 0.00 41.12 42.66 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 0.76 2.72 -4.72 5.18 -2.24 -1.26 -4.92 114.28 109.80 1zrj n THR 22 Ca 0.06 -2.68 -0.33 0.00 -2.27 0.00 0.00 64.05 58.83 1zrj n THR 22 Cb 0.36 -0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.06 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 -3.30 2.54 0.00 -0.78 0.52 -1.26 -5.03 118.95 111.64 1zrj s ARG 23 Ca 0.48 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1zrj s ARG 23 Cb 0.43 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 33.45 1zrj s ARG 23 CO 0.02 0.62 0.00 0.41 0.02 0.00 0.00 175.30 176.37 1zrj n GLY 24 N 2.08 3.44 3.37 -3.53 0.00 -1.26 -4.80 105.19 104.49 1zrj n GLY 24 Ca -0.17 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 1zrj n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1zrj n LEU 25 N 0.00 -0.95 -0.11 0.99 4.77 -1.26 -4.54 117.00 115.90 1zrj n LEU 25 Ca 0.00 0.18 -0.05 0.00 -0.03 0.00 0.00 56.01 56.10 1zrj n LEU 25 Cb 0.00 -1.12 0.01 0.00 -2.33 0.00 0.00 43.42 39.98 1zrj n LEU 25 CO 0.00 -3.47 0.76 0.50 -1.33 0.00 0.00 177.39 173.84 1zrj h LYS 26 N -1.73 -0.06 -1.01 3.23 3.64 -1.99 -0.30 116.57 118.34 1zrj h LYS 26 Ca -0.47 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.03 1zrj h LYS 26 Cb 1.31 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 1zrj h LYS 26 CO 0.36 -0.04 0.64 0.00 -2.27 0.00 0.00 179.45 178.13 1zrj h ALA 27 N 1.26 1.51 -0.64 5.00 0.00 -1.99 0.47 119.26 124.87 1zrj h ALA 27 Ca 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1zrj h ALA 27 Cb 0.36 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1zrj h ALA 27 CO -0.43 0.25 0.28 0.93 0.00 0.00 0.00 179.25 180.28 1zrj h GLU 28 N 1.02 0.94 -0.31 0.00 4.39 -1.40 -1.15 114.58 118.07 1zrj h GLU 28 Ca 0.49 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.95 1zrj h GLU 28 Cb 0.46 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1zrj h GLU 28 CO -0.26 0.77 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.14 1zrj h LEU 29 N 0.89 0.67 -0.23 1.33 3.38 -0.24 -1.56 115.31 119.54 1zrj h LEU 29 Ca 0.22 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1zrj h LEU 29 Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1zrj h LEU 29 CO -0.02 0.93 0.13 0.00 0.09 0.00 0.00 178.44 179.57 1zrj h ALA 30 N 0.76 0.28 -0.62 1.53 0.00 -0.78 -0.32 119.26 120.10 1zrj h ALA 30 Ca 0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1zrj h ALA 30 Cb 0.68 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1zrj h ALA 30 CO 0.05 -0.27 0.13 0.93 0.00 0.00 0.00 179.25 180.09 1zrj h GLU 31 N 0.27 0.99 -0.28 0.00 4.39 -1.21 -0.76 114.58 117.99 1zrj h GLU 31 Ca 0.09 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 1zrj h GLU 31 Cb -0.01 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1zrj h GLU 31 CO -0.04 0.90 0.10 -0.09 -1.16 0.00 0.00 179.01 178.71 1zrj h ARG 32 N 0.94 0.42 -0.39 2.33 2.43 -0.90 0.33 114.38 119.55 1zrj h ARG 32 Ca 0.20 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1zrj h ARG 32 Cb 0.37 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1zrj h ARG 32 CO 0.00 0.47 0.04 1.25 -1.51 0.00 0.00 179.97 180.22 1zrj h LEU 33 N 0.29 0.65 -0.79 3.80 5.85 -0.91 -2.75 115.31 121.45 1zrj h LEU 33 Ca 0.09 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 1zrj h LEU 33 Cb 0.21 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1zrj h LEU 33 CO -0.01 0.77 0.32 -0.61 -0.34 0.00 0.00 178.44 178.57 1zrj h GLN 34 N 0.51 1.19 -0.66 1.25 5.75 -1.04 -2.06 115.11 120.04 1zrj h GLN 34 Ca 0.12 -0.22 0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1zrj h GLN 34 Cb 0.42 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.73 1zrj h GLN 34 CO 0.01 0.96 0.39 0.00 -2.65 0.00 0.00 178.83 177.55 1zrj h ALA 35 N 1.17 0.87 -0.50 3.38 0.00 -0.78 0.19 119.26 123.59 1zrj h ALA 35 Ca 0.26 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1zrj h ALA 35 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1zrj h ALA 35 CO -0.02 0.12 -0.05 0.00 0.00 0.00 0.00 179.25 179.29 1zrj h ALA 36 N 1.31 0.68 -0.36 0.00 0.00 -1.22 -3.13 119.26 116.54 1zrj h ALA 36 Ca 0.28 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1zrj h ALA 36 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1zrj h ALA 36 CO -0.14 0.54 0.01 -0.07 0.00 0.00 0.00 179.25 179.58 1zrj h LEU 37 N 0.78 0.61-10.34 0.00 3.38 -0.88 -3.44 115.31 105.42 1zrj h LEU 37 Ca 0.13 -0.30 -0.50 0.00 0.09 0.00 0.00 57.88 57.30 1zrj h LEU 37 Cb 0.59 -0.17 0.13 0.00 0.09 0.00 0.00 40.66 41.30 1zrj h LEU 37 CO 0.04 0.77 0.31 -0.44 0.09 0.00 0.00 178.44 179.20 1zrj s SER 38 N -6.12 4.30 0.00 -0.43 0.01 0.62 -5.07 113.70 107.02 1zrj s SER 38 Ca -0.13 1.63 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1zrj s SER 38 Cb 0.09 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1zrj s SER 38 CO 0.78 -2.13 0.00 0.61 0.41 0.00 0.00 173.24 172.90 1zrj n GLY 39 N -1.39 0.58 3.56 3.44 0.00 -1.26 -4.90 105.19 105.22 1zrj n GLY 39 Ca 0.08 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 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 1.40 2.77 0.13 1.61 0.04 -1.26 -4.98 135.00 134.71 1zrj s PRO 40 Ca 0.00 0.74 0.02 0.00 0.04 0.00 0.00 61.00 61.81 1zrj s PRO 40 Cb 0.00 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 1zrj s PRO 40 CO 0.00 -2.55 0.24 0.45 0.04 0.00 0.00 177.00 175.18 1zrj s SER 41 N 7.62 6.22 -0.15 6.66 0.15 -1.26 -5.04 113.70 127.90 1zrj s SER 41 Ca 0.69 0.15 -0.08 0.00 0.70 0.00 0.00 55.95 57.41 1zrj s SER 41 Cb -0.14 -1.85 -0.06 0.00 -1.71 0.00 0.00 66.02 62.26 1zrj s SER 41 CO 0.23 0.08 -0.19 -1.20 1.20 0.00 0.00 173.24 173.36 1zrj n SER 42 N -0.31 1.07 0.00 5.45 7.64 -1.26 -5.29 113.62 120.92 1zrj n SER 42 Ca -0.07 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1zrj n SER 42 Cb 0.53 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1zrj n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64