#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 0.78 -4.76 1.61 2.88 -1.26 -5.05 113.62 107.83 1zrj n SER -5 Ca 0.00 0.11 -0.40 0.00 -1.33 0.00 0.00 58.87 57.25 1zrj n SER -5 Cb 0.00 -0.23 -0.04 0.00 -0.75 0.00 0.00 64.21 63.18 1zrj n SER -5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1zrj s SER -4 N -5.70 7.26 0.00 -3.46 1.04 -1.26 -4.96 113.70 106.62 1zrj s SER -4 Ca 0.00 2.22 0.00 0.00 0.48 0.00 0.00 55.95 58.65 1zrj s SER -4 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1zrj s SER -4 CO 0.00 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1zrj n GLY -3 N 1.14 1.13 3.64 7.32 0.00 -1.26 -5.17 105.19 111.99 1zrj n GLY -3 Ca -0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 1zrj n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zrj s SER -2 N 1.11 -0.40 0.34 1.61 0.15 -1.26 -5.18 113.70 110.07 1zrj s SER -2 Ca 0.00 0.72 0.07 0.00 0.70 0.00 0.00 55.95 57.44 1zrj s SER -2 Cb 0.00 0.85 -0.01 0.00 -1.71 0.00 0.00 66.02 65.15 1zrj s SER -2 CO 0.00 -0.12 0.42 -0.55 1.20 0.00 0.00 173.24 174.19 1zrj s SER -1 N 0.50 5.72 0.11 5.45 0.15 -1.26 -5.13 113.70 119.24 1zrj s SER -1 Ca 0.00 -0.31 -0.25 0.00 0.70 0.00 0.00 55.95 56.09 1zrj s SER -1 Cb -0.05 -1.10 0.07 0.00 -1.71 0.00 0.00 66.02 63.24 1zrj s SER -1 CO -0.10 -0.44 0.83 -0.83 1.20 0.00 0.00 173.24 173.91 1zrj s GLY 0 N -4.13 -0.37 -0.01 9.45 0.00 -1.26 -5.17 107.32 105.82 1zrj s GLY 0 Ca 0.44 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.63 1zrj s GLY 0 CO 0.30 0.14 -0.01 -0.29 0.00 0.00 0.00 173.10 173.23 1zrj s MET 1 N -3.40 0.25 -0.54 2.90 0.00 -1.26 -5.11 119.30 112.15 1zrj s MET 1 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 55.69 55.72 1zrj s MET 1 Cb -0.02 -0.33 0.14 0.00 0.00 0.00 0.00 34.83 34.62 1zrj s MET 1 CO -0.04 -0.03 0.34 -0.51 0.00 0.00 0.00 175.02 174.78 1zrj s ASP 2 N 0.43 5.21 0.56 1.11 1.11 -1.26 -4.93 116.67 118.90 1zrj s ASP 2 Ca -0.04 -2.54 0.29 0.00 0.18 0.00 0.00 52.55 50.44 1zrj s ASP 2 Cb -0.07 -1.84 1.46 0.00 1.07 0.00 0.00 42.92 43.55 1zrj s ASP 2 CO -0.01 -0.43 1.91 1.62 1.18 0.00 0.00 175.17 179.43 1zrj h VAL 3 N 5.71 0.48 0.00 -1.27 3.04 -1.96 0.57 116.25 122.83 1zrj h VAL 3 Ca -0.06 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.55 1zrj h VAL 3 Cb 0.99 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1zrj h VAL 3 CO 0.71 0.00 -0.37 0.03 -1.01 0.00 0.00 177.57 176.93 1zrj h ARG 4 N 0.00 0.00 -1.00 4.17 3.08 -1.95 -2.91 114.38 115.77 1zrj h ARG 4 Ca 0.30 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.93 1zrj h ARG 4 Cb 1.35 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.16 1zrj h ARG 4 CO -0.00 0.37 0.52 0.54 -1.07 0.00 0.00 179.97 180.33 1zrj n ARG 5 N -3.56 1.99 -4.05 0.04 5.12 0.20 -4.84 116.66 111.56 1zrj n ARG 5 Ca -0.00 -2.38 -0.31 0.00 -1.93 0.00 0.00 57.85 53.23 1zrj n ARG 5 Cb 0.50 -1.93 -0.16 0.00 -1.16 0.00 0.00 32.46 29.71 1zrj n ARG 5 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1zrj s LEU 6 N -2.61 2.19 1.09 0.55 1.43 -1.10 -4.97 118.68 115.26 1zrj s LEU 6 Ca 0.45 -0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 1zrj s LEU 6 Cb 0.38 -1.33 0.11 0.00 0.03 0.00 0.00 46.19 45.38 1zrj s LEU 6 CO 0.09 -0.08 0.20 0.29 0.23 0.00 0.00 176.35 177.07 1zrj n LYS 7 N 4.66 -1.41 -0.22 1.70 5.02 -1.26 -4.55 118.16 122.10 1zrj n LYS 7 Ca -0.17 -0.39 0.07 0.00 -2.02 0.00 0.00 58.31 55.80 1zrj n LYS 7 Cb 0.48 -1.79 0.33 0.00 -0.02 0.00 0.00 35.03 34.04 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 -2.03 1.00 -0.45 -0.18 -1.51 -1.98 -1.53 116.25 109.57 1zrj h VAL 8 Ca -0.52 -0.27 -0.11 0.00 -1.23 0.00 0.00 66.70 64.56 1zrj h VAL 8 Cb 1.34 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 1zrj h VAL 8 CO 0.39 0.15 -0.15 0.78 -1.23 0.00 0.00 177.57 177.51 1zrj h ASN 9 N 0.80 0.91 -0.77 4.19 2.35 -2.00 -1.95 115.58 119.12 1zrj h ASN 9 Ca 0.35 -0.38 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1zrj h ASN 9 Cb 0.32 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1zrj h ASN 9 CO -0.13 1.08 0.30 -0.33 -1.65 0.00 0.00 177.43 176.71 1zrj h GLU 10 N 0.73 1.16 -0.49 0.81 4.39 -1.62 -1.71 114.58 117.84 1zrj h GLU 10 Ca 0.11 -0.21 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 1zrj h GLU 10 Cb 0.70 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1zrj h GLU 10 CO 0.05 0.94 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.57 1zrj h LEU 11 N 1.13 1.02 -0.32 1.33 3.38 -1.21 -1.61 115.31 119.02 1zrj h LEU 11 Ca 0.26 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1zrj h LEU 11 Cb 0.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1zrj h LEU 11 CO -0.02 1.18 0.13 0.03 0.09 0.00 0.00 178.44 179.85 1zrj h ARG 12 N 0.86 0.49 -0.59 1.13 3.08 -1.06 0.14 114.38 118.43 1zrj h ARG 12 Ca 0.12 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1zrj h ARG 12 Cb 0.77 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1zrj h ARG 12 CO 0.06 0.49 0.13 1.05 -1.07 0.00 0.00 179.97 180.63 1zrj h GLU 13 N 0.38 0.95 -0.41 0.04 4.11 -1.27 -0.44 114.58 117.94 1zrj h GLU 13 Ca 0.11 -0.24 -0.09 0.00 0.07 0.00 0.00 59.36 59.22 1zrj h GLU 13 Cb 0.18 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1zrj h GLU 13 CO -0.01 0.88 -0.08 0.93 0.07 0.00 0.00 179.01 180.80 1zrj h GLU 14 N 0.86 0.77 -0.49 1.06 4.39 -1.13 -2.29 114.58 117.76 1zrj h GLU 14 Ca 0.18 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 1zrj h GLU 14 Cb 0.37 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1zrj h GLU 14 CO 0.00 0.90 0.09 -0.07 -1.16 0.00 0.00 179.01 178.78 1zrj h LEU 15 N 0.59 0.77 -1.26 1.33 3.38 -0.58 -2.76 115.31 116.78 1zrj h LEU 15 Ca 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1zrj h LEU 15 Cb 0.60 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1zrj h LEU 15 CO 0.04 0.82 0.29 1.56 0.09 0.00 0.00 178.44 181.24 1zrj h GLN 16 N 0.68 0.80 -0.37 1.13 1.08 -1.02 0.22 115.11 117.63 1zrj h GLN 16 Ca 0.15 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 1zrj h GLN 16 Cb 0.37 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1zrj h GLN 16 CO 0.01 0.61 -0.01 -0.09 -0.95 0.00 0.00 178.83 178.40 1zrj h ARG 17 N 0.80 0.58 -0.30 1.46 2.43 -1.14 -1.63 114.38 116.58 1zrj h ARG 17 Ca 0.20 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1zrj h ARG 17 Cb 0.06 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1zrj h ARG 17 CO -0.03 0.61 0.00 0.54 -1.51 0.00 0.00 179.97 179.58 1zrj n ARG 18 N -4.26 1.84 -1.73 0.20 1.74 -0.78 -4.90 116.66 108.76 1zrj n ARG 18 Ca 0.02 -1.28 -0.15 0.00 -0.77 0.00 0.00 57.85 55.67 1zrj n ARG 18 Cb 0.26 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 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 1.12 0.87 3.88 -0.13 0.00 -0.61 -4.99 105.19 105.32 1zrj n GLY 19 Ca 0.14 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.63 4.23 0.40 0.99 1.43 0.69 -4.99 118.68 117.80 1zrj s LEU 20 Ca 0.00 0.81 -0.27 0.00 -1.03 0.00 0.00 54.13 53.64 1zrj s LEU 20 Cb 0.00 -3.46 -0.10 0.00 0.03 0.00 0.00 46.19 42.66 1zrj s LEU 20 CO 0.00 0.01 1.49 -0.62 0.23 0.00 0.00 176.35 177.45 1zrj s ASP 21 N -2.27 6.20 -0.43 2.29 -1.08 -1.26 -4.08 116.67 116.04 1zrj s ASP 21 Ca 0.43 3.05 0.04 0.00 -0.52 0.00 0.00 52.55 55.55 1zrj s ASP 21 Cb -0.12 -2.67 0.51 0.00 -1.46 0.00 0.00 42.92 39.19 1zrj s ASP 21 CO 0.22 -0.97 1.67 0.35 0.52 0.00 0.00 175.17 176.95 1zrj n THR 22 N 0.28 2.99 -4.07 1.71 -2.24 -1.26 -4.92 114.28 106.76 1zrj n THR 22 Ca 0.02 -2.94 -0.24 0.00 -2.27 0.00 0.00 64.05 58.62 1zrj n THR 22 Cb 0.40 -0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 67.83 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 -3.50 3.01 0.00 -0.78 1.81 -1.26 -5.04 118.95 113.19 1zrj s ARG 23 Ca 0.54 -0.92 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 1zrj s ARG 23 Cb 0.45 -2.66 0.00 0.00 -0.45 0.00 0.00 34.95 32.29 1zrj s ARG 23 CO 0.02 0.44 0.00 0.41 -0.68 0.00 0.00 175.30 175.50 1zrj n GLY 24 N -0.84 2.29 3.37 -3.53 0.00 -1.26 -4.60 105.19 100.61 1zrj n GLY 24 Ca -0.08 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.54 -0.13 0.99 4.77 -1.26 -4.54 117.00 115.29 1zrj n LEU 25 Ca 0.00 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.89 1zrj n LEU 25 Cb 0.00 -1.10 0.03 0.00 -2.33 0.00 0.00 43.42 40.02 1zrj n LEU 25 CO 0.00 -3.18 0.82 0.50 -1.33 0.00 0.00 177.39 174.20 1zrj h LYS 26 N -2.18 0.06 -0.87 3.23 3.64 -1.99 -0.88 116.57 117.58 1zrj h LYS 26 Ca -0.54 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.89 1zrj h LYS 26 Cb 1.34 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.08 1zrj h LYS 26 CO 0.41 0.04 0.55 0.00 -2.27 0.00 0.00 179.45 178.18 1zrj h ALA 27 N 1.40 1.20 -0.74 5.00 0.00 -2.00 -1.85 119.26 122.26 1zrj h ALA 27 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1zrj h ALA 27 Cb 0.31 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1zrj h ALA 27 CO -0.39 0.30 0.43 0.93 0.00 0.00 0.00 179.25 180.53 1zrj h GLU 28 N 1.00 1.01 -0.75 0.00 4.39 -1.51 -2.08 114.58 116.64 1zrj h GLU 28 Ca 0.38 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.95 1zrj h GLU 28 Cb 0.16 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1zrj h GLU 28 CO -0.17 0.73 0.35 -0.07 -1.16 0.00 0.00 179.01 178.69 1zrj h LEU 29 N 1.01 0.99 -0.60 1.33 3.38 -0.50 -1.65 115.31 119.27 1zrj h LEU 29 Ca 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1zrj h LEU 29 Cb -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1zrj h LEU 29 CO -0.05 0.86 0.32 0.00 0.09 0.00 0.00 178.44 179.66 1zrj h ALA 30 N 1.18 0.77 -0.57 1.53 0.00 -0.96 0.18 119.26 121.38 1zrj h ALA 30 Ca 0.26 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1zrj h ALA 30 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1zrj h ALA 30 CO -0.03 0.30 0.15 0.93 0.00 0.00 0.00 179.25 180.60 1zrj h GLU 31 N 0.81 0.91 -0.24 0.00 4.39 -1.10 -1.31 114.58 118.04 1zrj h GLU 31 Ca 0.21 -0.21 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1zrj h GLU 31 Cb 0.07 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1zrj h GLU 31 CO -0.03 0.84 -0.44 -0.09 -1.16 0.00 0.00 179.01 178.12 1zrj h ARG 32 N 0.82 0.59 -0.30 2.33 2.43 -1.04 -2.50 114.38 116.71 1zrj h ARG 32 Ca 0.18 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1zrj h ARG 32 Cb 0.32 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1zrj h ARG 32 CO -0.00 0.92 0.04 1.25 -1.51 0.00 0.00 179.97 180.66 1zrj h LEU 33 N 0.48 0.49 -1.08 3.80 5.85 -0.42 -2.93 115.31 121.50 1zrj h LEU 33 Ca 0.03 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1zrj h LEU 33 Cb 0.96 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1zrj h LEU 33 CO 0.09 0.64 0.17 -0.61 -0.34 0.00 0.00 178.44 178.39 1zrj h GLN 34 N 0.32 0.82 -0.81 1.25 4.15 -1.22 -2.30 115.11 117.32 1zrj h GLN 34 Ca 0.09 -0.15 0.07 0.00 0.77 0.00 0.00 58.65 59.43 1zrj h GLN 34 Cb 0.37 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.87 1zrj h GLN 34 CO 0.01 0.72 0.53 0.00 -1.93 0.00 0.00 178.83 178.15 1zrj h ALA 35 N 1.38 1.63 -0.04 3.38 0.00 -1.27 0.12 119.26 124.48 1zrj h ALA 35 Ca 0.18 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 1zrj h ALA 35 Cb 0.24 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1zrj h ALA 35 CO -0.01 0.24 -0.76 0.00 0.00 0.00 0.00 179.25 178.72 1zrj h ALA 36 N 1.57 0.14 -0.18 0.00 0.00 -1.31 -3.24 119.26 116.24 1zrj h ALA 36 Ca 0.35 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1zrj h ALA 36 Cb 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1zrj h ALA 36 CO -0.13 0.52 0.07 -0.07 0.00 0.00 0.00 179.25 179.64 1zrj h LEU 37 N 0.19 0.26 -7.03 0.00 3.38 -0.89 -3.43 115.31 107.80 1zrj h LEU 37 Ca -0.08 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.51 1zrj h LEU 37 Cb 1.43 -0.07 -0.32 0.00 0.09 0.00 0.00 40.66 41.80 1zrj h LEU 37 CO 0.15 0.36 -0.51 -0.94 0.09 0.00 0.00 178.44 177.58 1zrj s SER 38 N -5.59 0.40 0.37 -0.43 1.04 0.38 -5.11 113.70 104.76 1zrj s SER 38 Ca -0.14 0.48 -0.24 0.00 0.48 0.00 0.00 55.95 56.54 1zrj s SER 38 Cb 0.07 0.81 -0.10 0.00 0.10 0.00 0.00 66.02 66.90 1zrj s SER 38 CO 0.71 -0.26 0.96 -0.83 0.98 0.00 0.00 173.24 174.79 1zrj s GLY 39 N 2.45 2.66 0.55 7.32 0.00 -1.22 -4.28 107.32 114.80 1zrj s GLY 39 Ca 0.03 0.51 0.33 0.00 0.00 0.00 0.00 44.72 45.59 1zrj s GLY 39 CO -0.11 0.89 1.99 -0.56 0.00 0.00 0.00 173.10 175.32 1zrj h PRO 40 N 2.68 0.00 -5.24 2.90 0.13 -1.94 -3.46 132.00 127.08 1zrj h PRO 40 Ca -0.48 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 63.92 1zrj h PRO 40 Cb 1.19 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.34 1zrj h PRO 40 CO 0.63 0.02 0.39 0.43 -0.23 0.00 0.00 178.00 179.25 1zrj n SER 41 N -3.12 0.65 -4.60 1.44 7.64 -1.26 -4.83 113.62 109.53 1zrj n SER 41 Ca 0.00 1.03 -0.33 0.00 1.01 0.00 0.00 58.87 60.58 1zrj n SER 41 Cb 0.30 -0.78 0.14 0.00 -1.01 0.00 0.00 64.21 62.86 1zrj n SER 41 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1zrj n SER 42 N 2.66 -0.13 0.00 6.43 2.88 -1.26 -5.25 113.62 118.96 1zrj n SER 42 Ca 0.23 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1zrj n SER 42 Cb -0.01 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.05 1zrj n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42