#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 1.95 -0.34 1.61 3.41 -1.26 -4.40 113.62 114.59 1zrj n SER -5 Ca 0.00 0.14 0.25 0.00 -0.26 0.00 0.00 58.87 59.00 1zrj n SER -5 Cb 0.00 -0.62 0.53 0.00 -0.26 0.00 0.00 64.21 63.87 1zrj n SER -5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1zrj h SER -4 N -0.56 0.41 -2.30 4.04 4.64 -2.11 -2.58 113.55 115.07 1zrj h SER -4 Ca -0.62 0.09 -0.63 0.00 -0.47 0.00 0.00 61.79 60.16 1zrj h SER -4 Cb 1.69 0.03 -0.40 0.00 -0.31 0.00 0.00 62.40 63.42 1zrj h SER -4 CO -0.28 0.04 -0.37 0.61 -0.87 0.00 0.00 176.83 175.96 1zrj n GLY -3 N -1.48 4.94 3.67 -0.77 0.00 -1.26 -5.06 105.19 105.23 1zrj n GLY -3 Ca 0.27 -2.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.11 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 -2.43 6.79 0.08 1.61 0.15 -0.98 -4.72 113.70 114.20 1zrj s SER -2 Ca 0.39 2.06 -0.01 0.00 0.70 0.00 0.00 55.95 59.10 1zrj s SER -2 Cb 0.14 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1zrj s SER -2 CO 0.00 -0.83 -0.01 -0.55 1.20 0.00 0.00 173.24 173.06 1zrj s SER -1 N 2.56 0.51 -0.45 5.45 0.15 -1.26 -4.99 113.70 115.68 1zrj s SER -1 Ca 0.66 -1.07 -0.22 0.00 0.70 0.00 0.00 55.95 56.02 1zrj s SER -1 Cb -0.30 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.26 1zrj s SER -1 CO 0.25 -0.63 0.62 0.61 1.20 0.00 0.00 173.24 175.29 1zrj n GLY 0 N 0.03 -0.89 3.78 9.45 0.00 -1.26 -4.94 105.19 111.36 1zrj n GLY 0 Ca -0.11 1.21 -0.36 0.00 0.00 0.00 0.00 46.02 46.76 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 -2.60 4.15 -0.43 1.61 0.00 -1.26 -5.02 119.30 115.74 1zrj s MET 1 Ca 0.28 1.50 -0.04 0.00 0.00 0.00 0.00 55.69 57.42 1zrj s MET 1 Cb -0.06 -2.51 0.11 0.00 0.00 0.00 0.00 34.83 32.37 1zrj s MET 1 CO 0.80 -0.15 0.24 -0.51 0.00 0.00 0.00 175.02 175.40 1zrj s ASP 2 N -1.60 5.37 0.35 1.11 1.11 -1.26 -4.95 116.67 116.80 1zrj s ASP 2 Ca 0.58 -2.02 0.10 0.00 0.18 0.00 0.00 52.55 51.40 1zrj s ASP 2 Cb -0.21 -1.88 0.85 0.00 1.07 0.00 0.00 42.92 42.75 1zrj s ASP 2 CO 0.27 -0.58 1.81 1.62 1.18 0.00 0.00 175.17 179.47 1zrj h VAL 3 N 6.29 0.72 -0.21 -1.27 3.04 -1.95 0.32 116.25 123.18 1zrj h VAL 3 Ca -0.15 -0.22 0.06 0.00 -1.01 0.00 0.00 66.70 65.38 1zrj h VAL 3 Cb 1.05 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 1zrj h VAL 3 CO 0.74 0.12 0.26 0.08 -1.01 0.00 0.00 177.57 177.76 1zrj h ARG 4 N 0.65 0.00 -0.74 4.17 -0.00 -1.93 0.36 114.38 116.89 1zrj h ARG 4 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.51 1zrj h ARG 4 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.93 1zrj h ARG 4 CO -0.29 0.00 0.00 0.54 -0.00 0.00 0.00 179.97 180.22 1zrj n ARG 5 N -3.67 2.69 -3.99 0.08 1.74 0.11 -4.78 116.66 108.84 1zrj n ARG 5 Ca 0.02 -1.45 -0.34 0.00 -0.77 0.00 0.00 57.85 55.31 1zrj n ARG 5 Cb 0.39 -1.78 -0.15 0.00 -1.02 0.00 0.00 32.46 29.90 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 -1.26 2.92 1.21 0.55 1.43 0.13 -5.04 118.68 118.61 1zrj s LEU 6 Ca 0.25 -0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 1zrj s LEU 6 Cb 0.19 -1.63 0.30 0.00 0.03 0.00 0.00 46.19 45.08 1zrj s LEU 6 CO 0.09 -0.08 1.01 -0.54 0.23 0.00 0.00 176.35 177.06 1zrj s LYS 7 N 1.33 -1.27 0.20 1.70 3.01 -1.26 -4.56 119.74 118.89 1zrj s LYS 7 Ca 0.02 0.70 -0.10 0.00 -1.01 0.00 0.00 55.97 55.57 1zrj s LYS 7 Cb -0.16 -1.52 0.24 0.00 -1.01 0.00 0.00 37.83 35.39 1zrj s LYS 7 CO -0.06 -3.92 1.77 -0.39 0.51 0.00 0.00 175.35 173.26 1zrj h VAL 8 N -2.76 0.86 -0.91 3.17 -1.51 -1.99 0.33 116.25 113.45 1zrj h VAL 8 Ca -0.60 -0.17 0.02 0.00 -1.23 0.00 0.00 66.70 64.71 1zrj h VAL 8 Cb 1.34 0.31 -0.05 0.00 -2.13 0.00 0.00 31.29 30.77 1zrj h VAL 8 CO 0.48 0.09 0.60 0.78 -1.23 0.00 0.00 177.57 178.30 1zrj h ASN 9 N 0.50 1.03 -0.47 4.19 4.21 -1.99 0.14 115.58 123.19 1zrj h ASN 9 Ca 0.29 -0.02 -0.13 0.00 1.21 0.00 0.00 56.30 57.65 1zrj h ASN 9 Cb 0.29 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 1zrj h ASN 9 CO -0.24 0.74 -0.20 -0.33 -1.29 0.00 0.00 177.43 176.11 1zrj h GLU 10 N 1.21 0.96 -0.33 0.81 4.39 -1.62 -2.53 114.58 117.48 1zrj h GLU 10 Ca 0.34 -0.41 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 1zrj h GLU 10 Cb -0.10 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1zrj h GLU 10 CO -0.09 1.07 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.68 1zrj h LEU 11 N 0.80 0.65 -0.79 1.33 3.38 -0.48 -2.20 115.31 118.01 1zrj h LEU 11 Ca 0.11 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1zrj h LEU 11 Cb 0.77 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1zrj h LEU 11 CO 0.06 0.87 0.49 0.03 0.09 0.00 0.00 178.44 179.98 1zrj h ARG 12 N 0.42 0.91 -0.60 1.13 3.08 -0.70 0.16 114.38 118.78 1zrj h ARG 12 Ca 0.08 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1zrj h ARG 12 Cb 0.59 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1zrj h ARG 12 CO 0.03 0.60 0.02 0.93 -1.07 0.00 0.00 179.97 180.49 1zrj h GLU 13 N 0.93 1.04 -0.02 0.04 4.39 -1.36 -1.41 114.58 118.19 1zrj h GLU 13 Ca 0.33 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1zrj h GLU 13 Cb 0.07 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1zrj h GLU 13 CO -0.14 1.01 -0.00 0.93 -1.16 0.00 0.00 179.01 179.65 1zrj h GLU 14 N 0.94 0.04 -0.59 2.33 4.39 -0.76 -2.77 114.58 118.16 1zrj h GLU 14 Ca 0.17 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.88 1zrj h GLU 14 Cb 0.53 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1zrj h GLU 14 CO 0.03 0.40 0.39 -0.07 -1.16 0.00 0.00 179.01 178.60 1zrj h LEU 15 N -0.33 0.63 -0.85 1.33 3.38 -0.68 -1.84 115.31 116.95 1zrj h LEU 15 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1zrj h LEU 15 Cb 0.38 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1zrj h LEU 15 CO 0.00 0.44 0.32 1.56 0.09 0.00 0.00 178.44 180.86 1zrj h GLN 16 N 0.73 1.17 -0.75 1.13 4.20 -1.15 0.40 115.11 120.83 1zrj h GLN 16 Ca 0.23 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1zrj h GLN 16 Cb 0.02 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 1zrj h GLN 16 CO -0.06 0.94 0.49 0.00 -0.67 0.00 0.00 178.83 179.53 1zrj h ARG 17 N 1.14 0.97 -0.24 1.46 3.08 -1.04 -0.54 114.38 119.21 1zrj h ARG 17 Ca 0.26 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1zrj h ARG 17 Cb 0.20 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1zrj h ARG 17 CO -0.02 0.64 0.00 0.54 -1.07 0.00 0.00 179.97 180.06 1zrj n ARG 18 N -4.57 1.39 -2.04 0.04 1.74 -1.04 -4.86 116.66 107.32 1zrj n ARG 18 Ca 0.07 -0.54 -0.20 0.00 -0.77 0.00 0.00 57.85 56.41 1zrj n ARG 18 Cb 0.03 -1.18 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 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 0.66 0.57 3.84 -0.13 0.00 -0.21 -4.97 105.19 104.96 1zrj n GLY 19 Ca 0.05 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.28 4.36 0.28 0.99 1.43 0.14 -4.99 118.68 115.61 1zrj s LEU 20 Ca 0.00 1.05 -0.28 0.00 -1.03 0.00 0.00 54.13 53.87 1zrj s LEU 20 Cb 0.00 -3.17 -0.14 0.00 0.03 0.00 0.00 46.19 42.91 1zrj s LEU 20 CO 0.00 0.13 1.03 -0.67 0.23 0.00 0.00 176.35 177.07 1zrj n ASP 21 N 0.93 1.34 -1.96 2.29 -0.08 -1.26 -4.12 116.55 113.69 1zrj n ASP 21 Ca -0.06 1.18 -0.22 0.00 -1.51 0.00 0.00 54.79 54.17 1zrj n ASP 21 Cb 0.52 -1.29 0.14 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 0.33 3.08 -3.69 5.18 -2.24 -1.26 -4.90 114.28 110.78 1zrj n THR 22 Ca 0.10 -2.69 -0.23 0.00 -2.27 0.00 0.00 64.05 58.96 1zrj n THR 22 Cb 0.32 -0.70 -0.02 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 -3.47 2.38 0.00 -0.78 1.81 -1.26 -5.03 118.95 112.60 1zrj s ARG 23 Ca 0.55 -1.76 0.00 0.00 -1.72 0.00 0.00 55.73 52.81 1zrj s ARG 23 Cb 0.46 -2.26 0.00 0.00 -0.45 0.00 0.00 34.95 32.70 1zrj s ARG 23 CO 0.04 -0.40 0.00 0.41 -0.68 0.00 0.00 175.30 174.67 1zrj n GLY 24 N -1.66 0.52 3.26 -3.53 0.00 -1.26 -4.60 105.19 97.92 1zrj n GLY 24 Ca 0.02 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.70 -1.44 0.18 0.99 4.77 -1.26 -4.63 117.00 114.91 1zrj n LEU 25 Ca 0.00 -0.43 -0.14 0.00 -0.03 0.00 0.00 56.01 55.41 1zrj n LEU 25 Cb 0.00 -1.02 -0.08 0.00 -2.33 0.00 0.00 43.42 39.99 1zrj n LEU 25 CO 0.00 -3.67 0.77 0.50 -1.33 0.00 0.00 177.39 173.66 1zrj h LYS 26 N -2.88 -0.39 -0.98 3.23 3.11 -2.00 -1.93 116.57 114.74 1zrj h LYS 26 Ca -0.48 0.03 0.10 0.00 -2.81 0.00 0.00 60.65 57.49 1zrj h LYS 26 Cb 1.24 0.09 -0.08 0.00 -1.00 0.00 0.00 32.23 32.48 1zrj h LYS 26 CO 0.34 -0.26 0.63 0.00 -2.81 0.00 0.00 179.45 177.34 1zrj h ALA 27 N 0.31 1.53 -0.78 5.00 0.00 -1.99 -1.29 119.26 122.04 1zrj h ALA 27 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1zrj h ALA 27 Cb 0.32 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1zrj h ALA 27 CO 0.05 0.26 0.41 0.93 0.00 0.00 0.00 179.25 180.91 1zrj h GLU 28 N 1.01 1.10 -0.71 0.00 4.39 -1.80 -2.27 114.58 116.30 1zrj h GLU 28 Ca 0.46 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 1zrj h GLU 28 Cb 0.40 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1zrj h GLU 28 CO -0.22 0.83 0.43 -0.07 -1.16 0.00 0.00 179.01 178.81 1zrj h LEU 29 N 1.08 0.86 -0.70 1.33 3.38 -0.46 -0.77 115.31 120.03 1zrj h LEU 29 Ca 0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1zrj h LEU 29 Cb 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1zrj h LEU 29 CO -0.04 0.67 0.36 0.00 0.09 0.00 0.00 178.44 179.52 1zrj h ALA 30 N 1.23 0.90 -0.48 1.53 0.00 -1.09 -2.07 119.26 119.27 1zrj h ALA 30 Ca 0.26 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1zrj h ALA 30 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1zrj h ALA 30 CO -0.05 0.44 -0.13 0.93 0.00 0.00 0.00 179.25 180.44 1zrj h GLU 31 N 0.96 0.89 0.49 0.00 4.39 -1.03 -1.50 114.58 118.79 1zrj h GLU 31 Ca 0.24 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1zrj h GLU 31 Cb 0.08 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1zrj h GLU 31 CO -0.03 0.97 -0.24 -0.09 -1.16 0.00 0.00 179.01 178.46 1zrj h ARG 32 N 0.79 -0.64 -0.54 2.33 2.43 -0.81 0.52 114.38 118.47 1zrj h ARG 32 Ca 0.12 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1zrj h ARG 32 Cb 0.66 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 1zrj h ARG 32 CO 0.05 -0.41 0.34 1.25 -1.51 0.00 0.00 179.97 179.69 1zrj h LEU 33 N -0.69 0.63 -0.87 3.80 5.85 -1.38 -2.51 115.31 120.14 1zrj h LEU 33 Ca -0.07 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1zrj h LEU 33 Cb 0.52 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1zrj h LEU 33 CO 0.11 0.48 0.57 -0.61 -0.34 0.00 0.00 178.44 178.65 1zrj h GLN 34 N 0.73 1.11 -0.63 1.25 5.75 -1.16 -2.30 115.11 119.86 1zrj h GLN 34 Ca 0.20 -0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.70 1zrj h GLN 34 Cb -0.05 -0.25 -0.06 0.00 1.07 0.00 0.00 27.48 28.19 1zrj h GLN 34 CO -0.04 0.73 0.32 0.00 -2.65 0.00 0.00 178.83 177.19 1zrj h ALA 35 N 1.33 0.83 -0.70 3.38 0.00 -0.46 -0.71 119.26 122.94 1zrj h ALA 35 Ca 0.33 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1zrj h ALA 35 Cb -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1zrj h ALA 35 CO -0.09 -0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.34 1zrj h ALA 36 N 1.35 1.06 -0.05 0.00 0.00 -1.17 -3.04 119.26 117.41 1zrj h ALA 36 Ca 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1zrj h ALA 36 Cb 0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1zrj h ALA 36 CO -0.21 0.64 0.02 -0.07 0.00 0.00 0.00 179.25 179.62 1zrj h LEU 37 N 1.04 0.06 -1.60 0.00 3.38 -0.81 -3.47 115.31 113.91 1zrj h LEU 37 Ca 0.23 -0.19 -0.32 0.00 0.09 0.00 0.00 57.88 57.69 1zrj h LEU 37 Cb 0.29 -0.02 0.16 0.00 0.09 0.00 0.00 40.66 41.18 1zrj h LEU 37 CO -0.01 0.23 -0.72 -0.24 0.09 0.00 0.00 178.44 177.80 1zrj n SER 38 N -4.96 -2.38 0.00 -0.43 2.88 -0.35 -4.98 113.62 103.40 1zrj n SER 38 Ca -0.07 -0.58 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1zrj n SER 38 Cb 0.12 -4.87 0.00 0.00 -0.75 0.00 0.00 64.21 58.71 1zrj n SER 38 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1zrj n GLY 39 N -1.19 0.72 3.67 0.46 0.00 -1.26 -5.04 105.19 102.55 1zrj n GLY 39 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 0.50 4.23 -0.43 1.61 0.04 -1.26 -4.91 135.00 134.79 1zrj s PRO 40 Ca 0.00 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.07 1zrj s PRO 40 Cb 0.00 -3.76 0.44 0.00 0.04 0.00 0.00 34.50 31.22 1zrj s PRO 40 CO 0.00 -0.71 1.86 0.45 0.04 0.00 0.00 177.00 178.63 1zrj n SER 41 N 6.28 5.20 -0.10 6.66 2.88 -1.26 -4.37 113.62 128.91 1zrj n SER 41 Ca 0.15 -3.35 -0.19 0.00 -1.33 0.00 0.00 58.87 54.14 1zrj n SER 41 Cb 0.43 -0.88 -0.10 0.00 -0.75 0.00 0.00 64.21 62.92 1zrj n SER 41 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1zrj h SER 42 N 1.22 0.00 -0.01 -3.46 0.87 -2.03 -3.56 113.55 106.58 1zrj h SER 42 Ca 0.49 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1zrj h SER 42 Cb 1.74 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.70 1zrj h SER 42 CO 1.03 1.38 0.00 0.61 -0.53 0.00 0.00 176.83 179.32