#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 2.75 -3.73 1.61 2.88 -1.26 -4.94 113.62 110.94 1zrj n SER -5 Ca 0.00 0.79 -0.24 0.00 -1.33 0.00 0.00 58.87 58.09 1zrj n SER -5 Cb 0.00 -1.28 -0.17 0.00 -0.75 0.00 0.00 64.21 62.00 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 5.15 1.84 0.00 -3.46 1.04 -1.26 -4.99 113.70 112.02 1zrj s SER -4 Ca 1.00 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 57.18 1zrj s SER -4 Cb -0.83 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 64.90 1zrj s SER -4 CO 0.54 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.13 1zrj n GLY -3 N 5.17 -0.52 0.32 7.32 0.00 -1.26 -5.03 105.19 111.20 1zrj n GLY -3 Ca -0.07 0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1zrj n GLY -3 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1zrj h SER -2 N 0.00 0.02 -3.25 1.61 0.87 -2.04 -3.37 113.55 107.39 1zrj h SER -2 Ca 0.00 0.23 -0.64 0.00 -1.23 0.00 0.00 61.79 60.15 1zrj h SER -2 Cb 0.00 0.31 -0.16 0.00 -0.44 0.00 0.00 62.40 62.10 1zrj h SER -2 CO 0.00 -0.26 -0.59 -0.44 -0.53 0.00 0.00 176.83 175.00 1zrj s SER -1 N -4.93 5.41 0.00 6.23 0.01 -1.26 -4.97 113.70 114.20 1zrj s SER -1 Ca -0.11 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1zrj s SER -1 Cb 0.29 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.71 1zrj s SER -1 CO 0.78 0.24 0.00 0.61 0.41 0.00 0.00 173.24 175.28 1zrj n GLY 0 N 3.07 -0.40 3.03 3.44 0.00 -1.26 -4.99 105.19 108.08 1zrj n GLY 0 Ca -0.17 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.24 -0.40 1.61 0.00 -1.26 -5.03 119.30 114.46 1zrj s MET 1 Ca 0.00 0.72 -0.15 0.00 0.00 0.00 0.00 55.69 56.26 1zrj s MET 1 Cb 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 34.83 34.68 1zrj s MET 1 CO 0.00 -0.39 0.30 -0.51 0.00 0.00 0.00 175.02 174.42 1zrj s ASP 2 N 2.49 6.11 0.37 1.11 1.01 -1.26 -4.53 116.67 121.96 1zrj s ASP 2 Ca 0.03 -0.78 0.08 0.00 0.71 0.00 0.00 52.55 52.60 1zrj s ASP 2 Cb -0.13 -2.16 0.71 0.00 1.01 0.00 0.00 42.92 42.35 1zrj s ASP 2 CO -0.12 -0.42 1.88 1.62 0.21 0.00 0.00 175.17 178.35 1zrj h VAL 3 N 5.61 1.19 -0.04 -1.27 3.04 -1.94 -2.12 116.25 120.73 1zrj h VAL 3 Ca -0.28 -0.86 0.01 0.00 -1.01 0.00 0.00 66.70 64.57 1zrj h VAL 3 Cb 1.13 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1zrj h VAL 3 CO 0.72 0.27 0.12 0.03 -1.01 0.00 0.00 177.57 177.70 1zrj h ARG 4 N 0.28 0.00 -0.69 4.17 3.08 -1.94 0.14 114.38 119.41 1zrj h ARG 4 Ca 0.06 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.82 1zrj h ARG 4 Cb 0.41 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.29 1zrj h ARG 4 CO 0.02 0.00 0.29 0.54 -1.07 0.00 0.00 179.97 179.76 1zrj n ARG 5 N -3.28 2.77 -4.07 0.04 1.74 -0.80 -4.88 116.66 108.19 1zrj n ARG 5 Ca -0.02 -3.07 -0.32 0.00 -0.77 0.00 0.00 57.85 53.67 1zrj n ARG 5 Cb 0.20 -2.09 -0.15 0.00 -1.02 0.00 0.00 32.46 29.40 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 -3.14 3.24 1.16 0.55 1.43 0.48 -5.03 118.68 117.37 1zrj s LEU 6 Ca 0.52 -1.26 -0.17 0.00 -1.03 0.00 0.00 54.13 52.19 1zrj s LEU 6 Cb 0.44 -1.55 0.17 0.00 0.03 0.00 0.00 46.19 45.29 1zrj s LEU 6 CO 0.09 -0.16 0.29 0.29 0.23 0.00 0.00 176.35 177.10 1zrj n LYS 7 N 4.47 -2.14 -0.32 1.70 5.02 -1.26 -4.50 118.16 121.13 1zrj n LYS 7 Ca -0.15 -0.61 0.05 0.00 -2.02 0.00 0.00 58.31 55.58 1zrj n LYS 7 Cb 0.43 -1.78 0.24 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.40 1.03 -0.49 -0.18 -1.51 -1.98 -1.13 116.25 109.59 1zrj h VAL 8 Ca -0.52 -0.35 -0.08 0.00 -1.23 0.00 0.00 66.70 64.51 1zrj h VAL 8 Cb 1.30 -0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 1zrj h VAL 8 CO 0.38 0.19 -0.04 0.78 -1.23 0.00 0.00 177.57 177.64 1zrj h ASN 9 N 1.02 0.82 -0.51 4.19 4.21 -1.99 -1.65 115.58 121.66 1zrj h ASN 9 Ca 0.42 -0.22 -0.11 0.00 1.21 0.00 0.00 56.30 57.59 1zrj h ASN 9 Cb 0.29 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.25 1zrj h ASN 9 CO -0.17 0.90 -0.11 -0.33 -1.29 0.00 0.00 177.43 176.43 1zrj h GLU 10 N 0.77 1.00 -0.21 0.81 4.39 -1.54 -1.60 114.58 118.20 1zrj h GLU 10 Ca 0.14 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 1zrj h GLU 10 Cb 0.52 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1zrj h GLU 10 CO 0.03 1.05 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.82 1zrj h LEU 11 N 0.89 0.40 -0.68 1.33 3.38 -1.09 -1.10 115.31 118.45 1zrj h LEU 11 Ca 0.14 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1zrj h LEU 11 Cb 0.67 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1zrj h LEU 11 CO 0.05 0.67 0.38 0.03 0.09 0.00 0.00 178.44 179.66 1zrj h ARG 12 N 0.14 0.95 -0.49 1.13 3.08 -1.26 -0.33 114.38 117.60 1zrj h ARG 12 Ca 0.06 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1zrj h ARG 12 Cb 0.48 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1zrj h ARG 12 CO 0.02 0.70 0.05 0.93 -1.07 0.00 0.00 179.97 180.60 1zrj h GLU 13 N 0.93 0.83 -0.05 0.04 4.39 -1.23 -0.31 114.58 119.19 1zrj h GLU 13 Ca 0.24 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1zrj h GLU 13 Cb 0.02 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1zrj h GLU 13 CO -0.04 0.85 0.02 0.93 -1.16 0.00 0.00 179.01 179.61 1zrj h GLU 14 N 0.70 0.07 -0.46 2.33 4.39 -0.90 -1.48 114.58 119.23 1zrj h GLU 14 Ca 0.14 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 1zrj h GLU 14 Cb 0.45 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1zrj h GLU 14 CO 0.02 0.23 0.10 -0.07 -1.16 0.00 0.00 179.01 178.12 1zrj h LEU 15 N -0.10 0.64 -0.82 1.33 3.38 -1.02 -2.49 115.31 116.24 1zrj h LEU 15 Ca 0.02 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1zrj h LEU 15 Cb 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1zrj h LEU 15 CO -0.00 0.65 -0.07 -0.61 0.09 0.00 0.00 178.44 178.50 1zrj h GLN 16 N 0.67 0.81 0.00 1.13 4.15 -0.84 0.59 115.11 121.62 1zrj h GLN 16 Ca 0.15 -0.25 -0.05 0.00 0.77 0.00 0.00 58.65 59.27 1zrj h GLN 16 Cb 0.27 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1zrj h GLN 16 CO -0.00 0.86 -0.22 0.00 -1.93 0.00 0.00 178.83 177.54 1zrj h ARG 17 N 0.74 0.00 -0.73 1.69 3.08 -0.82 -1.76 114.38 116.59 1zrj h ARG 17 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1zrj h ARG 17 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1zrj h ARG 17 CO 0.03 0.22 0.00 0.54 -1.07 0.00 0.00 179.97 179.69 1zrj n ARG 18 N -3.93 2.69 -1.08 0.04 1.74 -0.95 -4.92 116.66 110.24 1zrj n ARG 18 Ca -0.02 -2.62 -0.03 0.00 -0.77 0.00 0.00 57.85 54.42 1zrj n ARG 18 Cb 0.30 -1.57 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 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 1.65 0.42 3.79 -0.13 0.00 -0.66 -4.97 105.19 105.30 1zrj n GLY 19 Ca 0.24 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.65 4.14 0.33 0.99 1.43 0.20 -4.96 118.68 120.16 1zrj s LEU 20 Ca 0.00 1.84 -0.28 0.00 -1.03 0.00 0.00 54.13 54.66 1zrj s LEU 20 Cb 0.00 -4.25 -0.12 0.00 0.03 0.00 0.00 46.19 41.85 1zrj s LEU 20 CO 0.00 -0.29 1.32 -0.67 0.23 0.00 0.00 176.35 176.94 1zrj n ASP 21 N -0.04 2.86 -1.29 2.29 2.03 -1.26 -4.09 116.55 117.05 1zrj n ASP 21 Ca 0.05 1.20 -0.07 0.00 0.52 0.00 0.00 54.79 56.49 1zrj n ASP 21 Cb 0.51 -1.49 0.19 0.00 -0.72 0.00 0.00 41.12 39.62 1zrj n ASP 21 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1zrj n THR 22 N 0.57 2.63 -3.77 5.18 -2.24 -1.26 -4.91 114.28 110.48 1zrj n THR 22 Ca 0.05 -2.72 -0.37 0.00 -2.27 0.00 0.00 64.05 58.75 1zrj n THR 22 Cb 0.36 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 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 -3.27 3.72 0.00 -0.78 1.81 -1.26 -5.00 118.95 114.16 1zrj s ARG 23 Ca 0.46 -0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.41 1zrj s ARG 23 Cb 0.42 -3.26 0.00 0.00 -0.45 0.00 0.00 34.95 31.66 1zrj s ARG 23 CO 0.01 0.63 0.00 0.41 -0.68 0.00 0.00 175.30 175.66 1zrj n GLY 24 N 2.39 2.88 3.46 -3.53 0.00 -1.26 -4.72 105.19 104.40 1zrj n GLY 24 Ca -0.18 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 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 0.00 -0.07 0.20 0.99 1.43 -1.26 -4.62 118.68 115.35 1zrj s LEU 25 Ca 0.00 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 53.83 1zrj s LEU 25 Cb 0.00 -2.47 0.20 0.00 0.03 0.00 0.00 46.19 43.96 1zrj s LEU 25 CO 0.00 -4.66 1.80 0.50 0.23 0.00 0.00 176.35 174.22 1zrj h LYS 26 N -2.94 0.58 -0.49 1.70 3.64 -1.98 -1.15 116.57 115.94 1zrj h LYS 26 Ca -0.46 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 58.92 1zrj h LYS 26 Cb 1.32 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1zrj h LYS 26 CO 0.34 0.39 0.26 0.00 -2.27 0.00 0.00 179.45 178.17 1zrj h ALA 27 N 1.32 0.62 -0.28 5.00 0.00 -1.99 0.99 119.26 124.93 1zrj h ALA 27 Ca 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1zrj h ALA 27 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1zrj h ALA 27 CO -0.18 -0.07 0.15 0.93 0.00 0.00 0.00 179.25 180.08 1zrj h GLU 28 N 0.52 0.39 -0.73 0.00 4.39 -1.74 -1.45 114.58 115.96 1zrj h GLU 28 Ca 0.21 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 1zrj h GLU 28 Cb 0.09 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1zrj h GLU 28 CO -0.13 0.34 0.30 -0.07 -1.16 0.00 0.00 179.01 178.29 1zrj h LEU 29 N 0.34 0.99 -0.55 1.33 3.38 -0.87 -1.06 115.31 118.86 1zrj h LEU 29 Ca 0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1zrj h LEU 29 Cb 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1zrj h LEU 29 CO -0.02 0.87 0.21 0.00 0.09 0.00 0.00 178.44 179.60 1zrj h ALA 30 N 1.27 0.72 -0.47 1.53 0.00 -0.51 -2.12 119.26 119.67 1zrj h ALA 30 Ca 0.25 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1zrj h ALA 30 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1zrj h ALA 30 CO -0.02 0.33 -0.19 0.93 0.00 0.00 0.00 179.25 180.30 1zrj h GLU 31 N 0.75 0.94 0.38 0.00 4.39 -0.97 -1.71 114.58 118.36 1zrj h GLU 31 Ca 0.18 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 1zrj h GLU 31 Cb 0.21 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1zrj h GLU 31 CO -0.01 1.05 -0.22 -0.09 -1.16 0.00 0.00 179.01 178.57 1zrj h ARG 32 N 0.82 -0.55 -0.40 2.33 2.43 -0.98 0.23 114.38 118.27 1zrj h ARG 32 Ca 0.11 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1zrj h ARG 32 Cb 0.75 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1zrj h ARG 32 CO 0.06 -0.37 0.24 1.25 -1.51 0.00 0.00 179.97 179.64 1zrj h LEU 33 N -0.57 0.48 -0.59 3.80 5.85 -1.40 -2.44 115.31 120.43 1zrj h LEU 33 Ca -0.04 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1zrj h LEU 33 Cb 0.47 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1zrj h LEU 33 CO 0.05 0.39 0.39 -0.61 -0.34 0.00 0.00 178.44 178.32 1zrj h GLN 34 N 0.52 0.77 -0.89 1.25 5.75 -1.16 0.51 115.11 121.87 1zrj h GLN 34 Ca 0.14 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.67 1zrj h GLN 34 Cb 0.00 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.32 1zrj h GLN 34 CO -0.03 0.51 0.58 0.00 -2.65 0.00 0.00 178.83 177.24 1zrj h ALA 35 N 1.22 1.56 -0.01 3.38 0.00 -0.24 0.98 119.26 126.16 1zrj h ALA 35 Ca 0.22 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1zrj h ALA 35 Cb -0.08 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.48 1zrj h ALA 35 CO -0.06 0.29 -0.63 0.00 0.00 0.00 0.00 179.25 178.86 1zrj h ALA 36 N 1.53 0.09 -0.29 0.00 0.00 -0.93 -3.31 119.26 116.36 1zrj h ALA 36 Ca 0.39 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.73 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 -0.15 0.38 0.18 -0.07 0.00 0.00 0.00 179.25 179.60 1zrj h LEU 37 N -0.04 0.34 -1.36 0.00 3.38 -0.44 -3.46 115.31 113.72 1zrj h LEU 37 Ca -0.08 -0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.35 1zrj h LEU 37 Cb 1.33 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.87 1zrj h LEU 37 CO 0.12 0.26 -0.84 -0.24 0.09 0.00 0.00 178.44 177.84 1zrj n SER 38 N -4.87 -2.52 -4.97 -0.43 2.88 0.30 -4.95 113.62 99.05 1zrj n SER 38 Ca -0.02 -0.97 -0.23 0.00 -1.33 0.00 0.00 58.87 56.33 1zrj n SER 38 Cb 0.04 -3.05 0.03 0.00 -0.75 0.00 0.00 64.21 60.47 1zrj n SER 38 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1zrj s GLY 39 N -3.67 2.03 0.05 0.46 0.00 -1.26 -5.05 107.32 99.88 1zrj s GLY 39 Ca 0.47 -1.74 -0.19 0.00 0.00 0.00 0.00 44.72 43.27 1zrj s GLY 39 CO 0.90 -1.80 1.36 -0.56 0.00 0.00 0.00 173.10 173.01 1zrj h PRO 40 N 0.46 0.44 -6.87 2.90 0.13 -1.94 -3.46 132.00 123.66 1zrj h PRO 40 Ca -0.33 -0.23 -0.58 0.00 -0.87 0.00 0.00 66.00 63.99 1zrj h PRO 40 Cb 1.29 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.11 1zrj h PRO 40 CO 0.49 0.80 -0.85 -1.13 -0.23 0.00 0.00 178.00 177.08 1zrj n SER 41 N -4.48 -1.14 -2.37 1.44 3.41 -1.26 -4.78 113.62 104.43 1zrj n SER 41 Ca -0.06 -1.15 -0.33 0.00 -0.26 0.00 0.00 58.87 57.07 1zrj n SER 41 Cb 0.39 -1.47 0.06 0.00 -0.26 0.00 0.00 64.21 62.93 1zrj n SER 41 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1zrj n SER 42 N -2.28 7.04 0.00 4.04 7.64 -1.26 -4.80 113.62 124.00 1zrj n SER 42 Ca 0.02 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.12 1zrj n SER 42 Cb 0.46 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1zrj n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64