#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 6.16 0.11 1.61 1.04 -1.26 -4.99 113.70 116.37 1zrj s SER -5 Ca 0.00 0.17 -0.23 0.00 0.48 0.00 0.00 55.95 56.37 1zrj s SER -5 Cb 0.00 -2.14 -0.10 0.00 0.10 0.00 0.00 66.02 63.89 1zrj s SER -5 CO 0.00 0.00 1.71 0.28 0.98 0.00 0.00 173.24 176.21 1zrj h SER -4 N 7.70 -0.20 0.00 7.02 0.02 -2.12 -3.48 113.55 122.49 1zrj h SER -4 Ca -0.37 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1zrj h SER -4 Cb 1.17 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1zrj h SER -4 CO 0.65 -0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.85 1zrj n GLY -3 N -1.19 2.90 3.89 -3.77 0.00 -1.26 -5.14 105.19 100.62 1zrj n GLY -3 Ca -0.05 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 1zrj n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zrj s SER -2 N 0.00 5.55 -0.75 1.61 0.01 -1.26 -5.02 113.70 113.84 1zrj s SER -2 Ca 0.00 1.03 -0.17 0.00 1.31 0.00 0.00 55.95 58.12 1zrj s SER -2 Cb 0.00 -1.90 0.16 0.00 0.21 0.00 0.00 66.02 64.48 1zrj s SER -2 CO 0.00 -1.22 0.79 -0.44 0.41 0.00 0.00 173.24 172.79 1zrj s SER -1 N -4.33 6.51 0.00 2.44 0.01 -1.26 -4.73 113.70 112.34 1zrj s SER -1 Ca 0.57 -2.12 0.00 0.00 1.31 0.00 0.00 55.95 55.71 1zrj s SER -1 Cb -0.11 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1zrj s SER -1 CO 0.50 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1zrj n GLY 0 N 4.79 -2.38 3.70 3.44 0.00 -1.26 -4.92 105.19 108.56 1zrj n GLY 0 Ca 0.06 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.81 4.47 -0.57 1.61 0.00 -1.26 -4.95 119.30 117.78 1zrj s MET 1 Ca 0.00 1.22 -0.26 0.00 0.00 0.00 0.00 55.69 56.65 1zrj s MET 1 Cb 0.00 -3.48 -0.08 0.00 0.00 0.00 0.00 34.83 31.27 1zrj s MET 1 CO 0.00 -0.10 2.37 -0.51 0.00 0.00 0.00 175.02 176.78 1zrj s ASP 2 N 0.99 4.38 0.32 1.11 1.01 -1.26 -4.78 116.67 118.43 1zrj s ASP 2 Ca 0.46 0.78 0.08 0.00 0.71 0.00 0.00 52.55 54.58 1zrj s ASP 2 Cb -0.19 -2.51 0.55 0.00 1.01 0.00 0.00 42.92 41.78 1zrj s ASP 2 CO 0.22 -3.06 1.76 1.62 0.21 0.00 0.00 175.17 175.91 1zrj h VAL 3 N 7.63 1.28 0.00 -1.27 3.04 -1.94 -2.60 116.25 122.39 1zrj h VAL 3 Ca -0.19 -1.33 -0.01 0.00 -1.01 0.00 0.00 66.70 64.16 1zrj h VAL 3 Cb 1.20 1.57 -0.00 0.00 -2.01 0.00 0.00 31.29 32.05 1zrj h VAL 3 CO 1.13 0.40 -0.06 0.03 -1.01 0.00 0.00 177.57 178.06 1zrj h ARG 4 N 0.19 0.00 -0.00 4.17 3.08 -1.94 0.21 114.38 120.08 1zrj h ARG 4 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1zrj h ARG 4 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1zrj h ARG 4 CO 0.05 0.06 -0.20 0.54 -1.07 0.00 0.00 179.97 179.36 1zrj n ARG 5 N -4.13 0.43 -3.04 0.04 3.00 -0.98 -4.75 116.66 107.23 1zrj n ARG 5 Ca -0.03 -0.17 -0.43 0.00 -0.01 0.00 0.00 57.85 57.21 1zrj n ARG 5 Cb 0.15 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.05 1zrj n ARG 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1zrj s LEU 6 N -2.69 4.32 1.38 0.55 1.43 0.06 -5.05 118.68 118.68 1zrj s LEU 6 Ca 0.22 -0.08 -0.20 0.00 -1.03 0.00 0.00 54.13 53.03 1zrj s LEU 6 Cb 0.19 -2.86 0.36 0.00 0.03 0.00 0.00 46.19 43.90 1zrj s LEU 6 CO 0.54 -0.79 0.94 -0.54 0.23 0.00 0.00 176.35 176.72 1zrj s LYS 7 N 3.02 -2.59 0.31 1.70 -0.14 -1.26 -4.51 119.74 116.27 1zrj s LYS 7 Ca 0.27 0.38 0.00 0.00 -1.36 0.00 0.00 55.97 55.26 1zrj s LYS 7 Cb -0.13 -1.40 0.53 0.00 -1.68 0.00 0.00 37.83 35.15 1zrj s LYS 7 CO 0.19 -4.71 1.94 -0.39 -0.76 0.00 0.00 175.35 171.63 1zrj h VAL 8 N -3.31 1.12 -0.57 3.17 -1.51 -1.96 -0.31 116.25 112.88 1zrj h VAL 8 Ca -0.50 -0.35 -0.03 0.00 -1.23 0.00 0.00 66.70 64.59 1zrj h VAL 8 Cb 1.34 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.48 1zrj h VAL 8 CO 0.35 0.19 0.22 0.78 -1.23 0.00 0.00 177.57 177.87 1zrj h ASN 9 N 1.03 0.79 -0.39 4.19 4.21 -1.99 0.03 115.58 123.45 1zrj h ASN 9 Ca 0.34 -0.18 -0.12 0.00 1.21 0.00 0.00 56.30 57.55 1zrj h ASN 9 Cb 0.07 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 1zrj h ASN 9 CO -0.11 0.75 -0.24 -0.33 -1.29 0.00 0.00 177.43 176.22 1zrj h GLU 10 N 0.78 0.85 -0.38 0.81 5.08 -1.70 -1.64 114.58 118.37 1zrj h GLU 10 Ca 0.19 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1zrj h GLU 10 Cb 0.22 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1zrj h GLU 10 CO -0.01 1.03 0.11 -0.07 -1.00 0.00 0.00 179.01 179.07 1zrj h LEU 11 N 0.65 0.56 -0.57 1.33 3.38 -0.91 0.11 115.31 119.87 1zrj h LEU 11 Ca 0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1zrj h LEU 11 Cb 0.80 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1zrj h LEU 11 CO 0.07 0.63 0.18 0.03 0.09 0.00 0.00 178.44 179.43 1zrj h ARG 12 N 0.47 0.88 -0.26 1.13 3.08 -0.97 0.16 114.38 118.86 1zrj h ARG 12 Ca 0.12 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1zrj h ARG 12 Cb 0.27 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1zrj h ARG 12 CO -0.00 0.80 -0.07 0.93 -1.07 0.00 0.00 179.97 180.56 1zrj h GLU 13 N 0.80 0.51 -0.39 0.04 4.39 -1.15 -1.36 114.58 117.42 1zrj h GLU 13 Ca 0.18 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1zrj h GLU 13 Cb 0.28 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1zrj h GLU 13 CO -0.01 0.73 0.16 0.93 -1.16 0.00 0.00 179.01 179.67 1zrj h GLU 14 N 0.26 0.57 -0.65 2.33 4.39 -0.67 -2.53 114.58 118.29 1zrj h GLU 14 Ca 0.07 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1zrj h GLU 14 Cb 0.54 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 1zrj h GLU 14 CO 0.03 0.53 0.23 -0.07 -1.16 0.00 0.00 179.01 178.56 1zrj h LEU 15 N 0.48 0.89 -1.33 1.33 3.38 -0.94 -2.38 115.31 116.74 1zrj h LEU 15 Ca 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1zrj h LEU 15 Cb 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1zrj h LEU 15 CO -0.01 0.82 0.29 1.56 0.09 0.00 0.00 178.44 181.19 1zrj h GLN 16 N 0.94 0.75 -0.24 1.13 4.20 -0.96 0.33 115.11 121.25 1zrj h GLN 16 Ca 0.21 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.72 1zrj h GLN 16 Cb 0.23 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1zrj h GLN 16 CO -0.01 0.56 -0.38 0.00 -0.67 0.00 0.00 178.83 178.32 1zrj h ARG 17 N 0.75 0.54 -0.78 1.46 3.08 -1.02 -2.63 114.38 115.78 1zrj h ARG 17 Ca 0.19 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1zrj h ARG 17 Cb 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1zrj h ARG 17 CO -0.03 0.83 0.00 0.54 -1.07 0.00 0.00 179.97 180.24 1zrj n ARG 18 N -4.04 2.75 -1.72 0.04 1.74 -0.80 -4.86 116.66 109.77 1zrj n ARG 18 Ca -0.01 -1.45 -0.16 0.00 -0.77 0.00 0.00 57.85 55.46 1zrj n ARG 18 Cb 0.50 -1.82 -0.05 0.00 -1.02 0.00 0.00 32.46 30.06 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 0.33 1.01 3.87 -0.13 0.00 -0.98 -4.94 105.19 104.35 1zrj n GLY 19 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.58 4.16 0.41 0.99 1.43 0.11 -5.00 118.68 116.21 1zrj s LEU 20 Ca 0.00 0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 53.79 1zrj s LEU 20 Cb 0.00 -3.71 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 1zrj s LEU 20 CO 0.00 -0.08 1.37 -0.62 0.23 0.00 0.00 176.35 177.25 1zrj s ASP 21 N -2.34 6.23 -0.47 2.29 -1.08 -1.26 -4.06 116.67 115.97 1zrj s ASP 21 Ca 0.48 2.79 0.03 0.00 -0.52 0.00 0.00 52.55 55.33 1zrj s ASP 21 Cb -0.11 -2.65 0.52 0.00 -1.46 0.00 0.00 42.92 39.22 1zrj s ASP 21 CO 0.21 -0.92 1.76 0.35 0.52 0.00 0.00 175.17 177.09 1zrj n THR 22 N 0.14 3.13 -3.62 1.71 -2.24 -1.26 -4.91 114.28 107.23 1zrj n THR 22 Ca 0.03 -2.81 -0.20 0.00 -2.27 0.00 0.00 64.05 58.81 1zrj n THR 22 Cb 0.42 -0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 67.85 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 -3.53 2.95 0.00 -0.78 1.81 -1.26 -5.02 118.95 113.12 1zrj s ARG 23 Ca 0.56 -1.13 0.00 0.00 -1.72 0.00 0.00 55.73 53.44 1zrj s ARG 23 Cb 0.47 -2.67 0.00 0.00 -0.45 0.00 0.00 34.95 32.30 1zrj s ARG 23 CO 0.03 0.08 0.00 0.41 -0.68 0.00 0.00 175.30 175.14 1zrj n GLY 24 N -1.52 1.02 3.48 -3.53 0.00 -1.26 -4.56 105.19 98.81 1zrj n GLY 24 Ca -0.01 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.87 0.56 0.11 0.99 1.43 -1.26 -4.63 118.68 115.02 1zrj s LEU 25 Ca 0.00 1.34 -0.24 0.00 -1.03 0.00 0.00 54.13 54.19 1zrj s LEU 25 Cb 0.00 -3.19 -0.07 0.00 0.03 0.00 0.00 46.19 42.96 1zrj s LEU 25 CO 0.00 -4.30 1.67 0.50 0.23 0.00 0.00 176.35 174.45 1zrj h LYS 26 N -2.69 -0.28 -1.00 1.70 3.11 -1.99 -0.41 116.57 115.01 1zrj h LYS 26 Ca -0.59 0.02 0.05 0.00 -2.81 0.00 0.00 60.65 57.32 1zrj h LYS 26 Cb 1.34 0.06 -0.06 0.00 -1.00 0.00 0.00 32.23 32.57 1zrj h LYS 26 CO 0.49 -0.19 0.65 0.00 -2.81 0.00 0.00 179.45 177.59 1zrj h ALA 27 N 0.61 1.35 -0.51 5.00 0.00 -1.99 -2.07 119.26 121.66 1zrj h ALA 27 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1zrj h ALA 27 Cb 0.34 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1zrj h ALA 27 CO -0.14 0.50 0.24 0.93 0.00 0.00 0.00 179.25 180.78 1zrj h GLU 28 N 1.22 0.75 -0.54 0.00 4.39 -1.74 -2.49 114.58 116.16 1zrj h GLU 28 Ca 0.41 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 1zrj h GLU 28 Cb 0.08 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1zrj h GLU 28 CO -0.15 0.63 0.29 -0.07 -1.16 0.00 0.00 179.01 178.56 1zrj h LEU 29 N 0.68 0.66 -0.44 1.33 3.38 -0.48 -2.23 115.31 118.22 1zrj h LEU 29 Ca 0.18 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1zrj h LEU 29 Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1zrj h LEU 29 CO -0.02 0.53 0.13 0.00 0.09 0.00 0.00 178.44 179.17 1zrj h ALA 30 N 1.58 0.58 -0.74 1.53 0.00 -0.97 -2.04 119.26 119.19 1zrj h ALA 30 Ca 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1zrj h ALA 30 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1zrj h ALA 30 CO -0.03 0.23 0.31 0.93 0.00 0.00 0.00 179.25 180.69 1zrj h GLU 31 N 0.57 1.10 -0.34 0.00 5.08 -1.05 -1.23 114.58 118.71 1zrj h GLU 31 Ca 0.14 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1zrj h GLU 31 Cb 0.27 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1zrj h GLU 31 CO -0.00 0.88 0.12 -0.09 -1.00 0.00 0.00 179.01 178.92 1zrj h ARG 32 N 1.07 0.51 -0.35 2.33 2.43 -1.20 -0.60 114.38 118.58 1zrj h ARG 32 Ca 0.25 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1zrj h ARG 32 Cb 0.19 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1zrj h ARG 32 CO -0.02 0.53 0.12 1.25 -1.51 0.00 0.00 179.97 180.34 1zrj h LEU 33 N 0.39 0.50 -0.95 3.80 5.85 -1.14 -2.61 115.31 121.15 1zrj h LEU 33 Ca 0.11 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1zrj h LEU 33 Cb 0.22 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1zrj h LEU 33 CO -0.01 0.55 0.41 -0.61 -0.34 0.00 0.00 178.44 178.45 1zrj h GLN 34 N 0.42 1.16 -0.73 1.25 5.75 -1.12 -2.34 115.11 119.49 1zrj h GLN 34 Ca 0.12 -0.15 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1zrj h GLN 34 Cb 0.22 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 1zrj h GLN 34 CO -0.01 0.87 0.46 0.00 -2.65 0.00 0.00 178.83 177.51 1zrj h ALA 35 N 1.30 0.95 -0.57 3.38 0.00 -0.87 -1.23 119.26 122.21 1zrj h ALA 35 Ca 0.28 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1zrj h ALA 35 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1zrj h ALA 35 CO -0.04 0.27 0.04 0.00 0.00 0.00 0.00 179.25 179.52 1zrj h ALA 36 N 1.30 0.98 -0.22 0.00 0.00 -1.10 -2.72 119.26 117.50 1zrj h ALA 36 Ca 0.29 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1zrj h ALA 36 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1zrj h ALA 36 CO -0.10 0.63 -0.21 -0.07 0.00 0.00 0.00 179.25 179.50 1zrj h LEU 37 N 0.89 0.38 -1.85 0.00 3.38 -0.90 -3.46 115.31 113.75 1zrj h LEU 37 Ca 0.17 -0.11 -0.62 0.00 0.09 0.00 0.00 57.88 57.42 1zrj h LEU 37 Cb 0.47 -0.10 -0.25 0.00 0.09 0.00 0.00 40.66 40.87 1zrj h LEU 37 CO 0.02 0.60 -0.95 -1.20 0.09 0.00 0.00 178.44 177.00 1zrj n SER 38 N -4.17 0.15 0.00 -0.43 7.64 -0.52 -4.87 113.62 111.42 1zrj n SER 38 Ca -0.00 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.62 1zrj n SER 38 Cb 0.36 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 61.88 1zrj n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zrj n GLY 39 N -2.17 0.14 3.76 0.23 0.00 -1.26 -5.07 105.19 100.82 1zrj n GLY 39 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 0.26 2.13 0.58 1.61 0.04 -1.26 -5.05 135.00 133.32 1zrj s PRO 40 Ca 0.00 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.11 1zrj s PRO 40 Cb 0.00 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1zrj s PRO 40 CO 0.00 -1.72 0.90 -1.54 0.04 0.00 0.00 177.00 174.67 1zrj s SER 41 N -3.39 5.65 0.03 6.66 1.04 -1.26 -5.09 113.70 117.34 1zrj s SER 41 Ca 0.61 0.75 0.03 0.00 0.48 0.00 0.00 55.95 57.83 1zrj s SER 41 Cb -0.17 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.16 1zrj s SER 41 CO 0.56 -1.03 -0.09 -0.94 0.98 0.00 0.00 173.24 172.72 1zrj s SER 42 N -4.29 1.07 0.00 7.02 1.04 -1.26 -5.21 113.70 112.07 1zrj s SER 42 Ca 0.53 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1zrj s SER 42 Cb -0.11 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1zrj s SER 42 CO 0.45 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.20