#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 -4.21 -4.56 1.61 2.88 -1.26 -5.02 113.62 103.07 1zrj n SER -5 Ca 0.00 -0.35 -0.34 0.00 -1.33 0.00 0.00 58.87 56.85 1zrj n SER -5 Cb 0.00 -3.37 -0.11 0.00 -0.75 0.00 0.00 64.21 59.98 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 -3.33 5.08 0.00 -3.46 0.15 -1.26 -5.09 113.70 105.78 1zrj s SER -4 Ca 0.30 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1zrj s SER -4 Cb -0.13 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1zrj s SER -4 CO 0.46 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.70 1zrj n GLY -3 N 3.39 5.70 3.55 9.45 0.00 -1.26 -5.03 105.19 120.99 1zrj n GLY -3 Ca -0.17 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 1zrj n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1zrj n SER -2 N 0.00 2.23 -4.55 1.61 2.88 -1.26 -4.86 113.62 109.67 1zrj n SER -2 Ca 0.00 -0.30 -0.42 0.00 -1.33 0.00 0.00 58.87 56.83 1zrj n SER -2 Cb 0.00 -1.50 -0.02 0.00 -0.75 0.00 0.00 64.21 61.94 1zrj n SER -2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1zrj s SER -1 N 11.13 6.58 0.00 -3.46 1.04 -1.26 -4.59 113.70 123.14 1zrj s SER -1 Ca 1.03 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1zrj s SER -1 Cb -0.34 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.23 1zrj s SER -1 CO 0.31 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1zrj n GLY 0 N 6.44 2.24 0.07 7.32 0.00 -1.26 -5.05 105.19 114.94 1zrj n GLY 0 Ca 0.34 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1zrj n GLY 0 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1zrj h MET 1 N 0.00 -0.03 -6.46 1.61 1.85 -2.03 -3.48 114.93 106.40 1zrj h MET 1 Ca 0.00 0.00 -0.49 0.00 -0.61 0.00 0.00 59.70 58.60 1zrj h MET 1 Cb 0.00 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.04 1zrj h MET 1 CO 0.00 0.49 -0.93 -0.25 -0.40 0.00 0.00 176.91 175.82 1zrj n ASP 2 N -4.85 -2.65 -0.24 1.39 8.00 -1.26 -4.63 116.55 112.30 1zrj n ASP 2 Ca -0.09 -1.05 0.24 0.00 0.71 0.00 0.00 54.79 54.60 1zrj n ASP 2 Cb 0.27 -2.97 0.60 0.00 -0.02 0.00 0.00 41.12 38.99 1zrj n ASP 2 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1zrj h VAL 3 N -1.95 0.59 0.00 2.53 3.04 -1.94 0.77 116.25 119.28 1zrj h VAL 3 Ca -0.66 -0.08 -0.05 0.00 -1.01 0.00 0.00 66.70 64.90 1zrj h VAL 3 Cb 1.37 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 1zrj h VAL 3 CO 0.56 0.04 -0.25 0.03 -1.01 0.00 0.00 177.57 176.95 1zrj h ARG 4 N 0.24 0.00 0.00 4.17 3.08 -1.93 -3.01 114.38 116.93 1zrj h ARG 4 Ca 0.49 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.25 1zrj h ARG 4 Cb 1.49 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.49 1zrj h ARG 4 CO -0.13 0.25 -1.68 -0.09 -1.07 0.00 0.00 179.97 177.25 1zrj h ARG 5 N 0.00 0.00 -6.47 0.04 9.65 0.12 -3.47 114.38 114.25 1zrj h ARG 5 Ca -0.00 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.27 1zrj h ARG 5 Cb 0.73 0.00 0.07 0.00 -1.39 0.00 0.00 29.97 29.38 1zrj h ARG 5 CO 0.03 0.51 0.57 1.28 2.80 0.00 0.00 179.97 185.16 1zrj n LEU 6 N -3.06 2.57 -4.48 3.80 4.77 0.03 -4.94 117.00 115.70 1zrj n LEU 6 Ca -0.16 1.12 -0.28 0.00 -0.03 0.00 0.00 56.01 56.66 1zrj n LEU 6 Cb 1.05 -1.35 0.26 0.00 -2.33 0.00 0.00 43.42 41.04 1zrj n LEU 6 CO 0.45 -0.68 0.51 -0.54 -1.33 0.00 0.00 177.39 175.80 1zrj s LYS 7 N 0.07 -1.08 0.19 3.23 1.02 -1.26 -4.74 119.74 117.17 1zrj s LYS 7 Ca 0.74 0.79 -0.10 0.00 0.02 0.00 0.00 55.97 57.42 1zrj s LYS 7 Cb -0.74 -1.54 0.11 0.00 -0.52 0.00 0.00 37.83 35.14 1zrj s LYS 7 CO 0.47 -3.82 1.74 -0.39 -0.92 0.00 0.00 175.35 172.43 1zrj h VAL 8 N -2.69 1.25 -0.72 3.17 -1.51 -1.96 -2.04 116.25 111.75 1zrj h VAL 8 Ca -0.63 -0.81 -0.06 0.00 -1.23 0.00 0.00 66.70 63.97 1zrj h VAL 8 Cb 1.34 0.49 -0.03 0.00 -2.13 0.00 0.00 31.29 30.96 1zrj h VAL 8 CO 0.51 0.32 0.20 0.78 -1.23 0.00 0.00 177.57 178.15 1zrj h ASN 9 N 0.98 1.06 -0.40 4.19 2.35 -2.00 -2.24 115.58 119.53 1zrj h ASN 9 Ca 0.22 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1zrj h ASN 9 Cb 0.25 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1zrj h ASN 9 CO -0.01 1.00 0.16 -0.33 -1.65 0.00 0.00 177.43 176.60 1zrj h GLU 10 N 1.07 0.59 -0.87 0.81 4.39 -1.84 -2.32 114.58 116.40 1zrj h GLU 10 Ca 0.23 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.83 1zrj h GLU 10 Cb 0.34 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1zrj h GLU 10 CO -0.00 0.56 0.58 -0.07 -1.16 0.00 0.00 179.01 178.91 1zrj h LEU 11 N 0.50 1.01 -0.42 1.33 3.38 -1.21 -1.54 115.31 118.36 1zrj h LEU 11 Ca 0.13 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1zrj h LEU 11 Cb 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1zrj h LEU 11 CO -0.01 0.73 0.26 0.03 0.09 0.00 0.00 178.44 179.54 1zrj h ARG 12 N 1.19 0.56 -0.58 1.13 3.08 -1.17 0.15 114.38 118.73 1zrj h ARG 12 Ca 0.32 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 1zrj h ARG 12 Cb -0.13 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.77 1zrj h ARG 12 CO -0.07 0.40 0.30 0.93 -1.07 0.00 0.00 179.97 180.46 1zrj h GLU 13 N 0.55 0.83 -0.21 0.04 4.39 -1.03 0.25 114.58 119.41 1zrj h GLU 13 Ca 0.15 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1zrj h GLU 13 Cb -0.02 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1zrj h GLU 13 CO -0.03 0.66 -0.00 0.93 -1.16 0.00 0.00 179.01 179.41 1zrj h GLU 14 N 0.79 0.37 -0.32 2.33 4.39 -0.99 -1.27 114.58 119.88 1zrj h GLU 14 Ca 0.20 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 1zrj h GLU 14 Cb 0.09 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1zrj h GLU 14 CO -0.03 0.57 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.19 1zrj h LEU 15 N 0.13 0.55 -0.27 1.33 3.38 -0.55 -1.46 115.31 118.42 1zrj h LEU 15 Ca 0.06 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1zrj h LEU 15 Cb 0.41 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1zrj h LEU 15 CO 0.01 0.72 -0.08 -0.61 0.09 0.00 0.00 178.44 178.57 1zrj h GLN 16 N 0.52 0.54 0.00 1.13 -0.00 -0.37 0.48 115.11 117.40 1zrj h GLN 16 Ca 0.09 -0.21 -0.04 0.00 -0.00 0.00 0.00 58.65 58.49 1zrj h GLN 16 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.98 1zrj h GLN 16 CO 0.03 0.75 -0.19 0.07 0.00 0.00 0.00 178.83 179.50 1zrj h ARG 17 N 0.29 0.00 -0.04 1.69 0.11 -1.08 -2.12 114.38 113.23 1zrj h ARG 17 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 1zrj h ARG 17 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 1zrj h ARG 17 CO 0.03 0.19 0.00 0.54 0.10 0.00 0.00 179.97 180.83 1zrj n ARG 18 N -3.43 1.48 -1.09 0.08 1.74 -0.56 -4.90 116.66 109.98 1zrj n ARG 18 Ca -0.00 -0.70 -0.03 0.00 -0.77 0.00 0.00 57.85 56.34 1zrj n ARG 18 Cb 0.37 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.34 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 1.10 0.63 3.90 -0.13 0.00 -0.80 -5.02 105.19 104.88 1zrj n GLY 19 Ca 0.19 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.74 4.30 0.66 0.99 1.43 0.16 -5.01 118.68 120.47 1zrj s LEU 20 Ca 0.00 0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.43 1zrj s LEU 20 Cb 0.00 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.02 1zrj s LEU 20 CO 0.00 0.09 1.26 -0.62 0.23 0.00 0.00 176.35 177.31 1zrj s ASP 21 N -2.42 4.62 -0.29 2.29 -1.08 -1.26 -3.96 116.67 114.57 1zrj s ASP 21 Ca 0.39 2.52 0.10 0.00 -0.52 0.00 0.00 52.55 55.04 1zrj s ASP 21 Cb -0.12 -2.61 0.53 0.00 -1.46 0.00 0.00 42.92 39.25 1zrj s ASP 21 CO 0.25 -1.99 1.50 0.35 0.52 0.00 0.00 175.17 175.81 1zrj n THR 22 N -2.02 2.57 -3.72 1.71 -2.24 -1.26 -4.85 114.28 104.47 1zrj n THR 22 Ca 0.15 -2.52 -0.37 0.00 -2.27 0.00 0.00 64.05 59.04 1zrj n THR 22 Cb 0.49 -0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 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 -3.18 3.65 0.00 -0.78 0.52 -1.26 -5.00 118.95 112.90 1zrj s ARG 23 Ca 0.45 0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1zrj s ARG 23 Cb 0.40 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.67 1zrj s ARG 23 CO 0.02 0.74 0.00 0.41 0.02 0.00 0.00 175.30 176.49 1zrj n GLY 24 N 1.93 3.02 3.43 -3.53 0.00 -1.26 -4.71 105.19 104.08 1zrj n GLY 24 Ca -0.17 -1.87 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.91 -0.22 0.99 4.77 -1.26 -4.49 117.00 114.88 1zrj n LEU 25 Ca 0.00 -0.25 0.02 0.00 -0.03 0.00 0.00 56.01 55.75 1zrj n LEU 25 Cb 0.00 -1.22 0.14 0.00 -2.33 0.00 0.00 43.42 40.01 1zrj n LEU 25 CO 0.00 -3.45 0.95 0.50 -1.33 0.00 0.00 177.39 174.06 1zrj h LYS 26 N -2.80 0.32 -0.62 3.23 3.64 -1.98 0.42 116.57 118.78 1zrj h LYS 26 Ca -0.62 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 58.78 1zrj h LYS 26 Cb 1.34 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 1zrj h LYS 26 CO 0.48 0.21 0.36 0.00 -2.27 0.00 0.00 179.45 178.23 1zrj h ALA 27 N 1.50 0.82 -0.62 5.00 0.00 -1.99 0.12 119.26 124.09 1zrj h ALA 27 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1zrj h ALA 27 Cb 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1zrj h ALA 27 CO -0.40 0.07 0.04 0.93 0.00 0.00 0.00 179.25 179.88 1zrj h GLU 28 N 0.69 1.06 -0.45 0.00 5.08 -1.48 -2.37 114.58 117.12 1zrj h GLU 28 Ca 0.27 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1zrj h GLU 28 Cb 0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1zrj h GLU 28 CO -0.14 1.01 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.74 1zrj h LEU 29 N 0.98 0.84 -0.31 1.33 3.38 -0.36 -2.15 115.31 119.02 1zrj h LEU 29 Ca 0.18 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1zrj h LEU 29 Cb 0.51 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1zrj h LEU 29 CO 0.02 0.98 0.18 0.00 0.09 0.00 0.00 178.44 179.72 1zrj h ALA 30 N 0.88 0.39 -0.76 1.53 0.00 -0.64 -1.74 119.26 118.90 1zrj h ALA 30 Ca 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1zrj h ALA 30 Cb 0.60 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1zrj h ALA 30 CO 0.04 -0.18 0.34 0.93 0.00 0.00 0.00 179.25 180.37 1zrj h GLU 31 N 0.37 1.11 -0.44 0.00 5.08 -1.37 -1.37 114.58 117.97 1zrj h GLU 31 Ca 0.12 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1zrj h GLU 31 Cb -0.00 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1zrj h GLU 31 CO -0.06 0.88 0.27 -0.09 -1.00 0.00 0.00 179.01 179.02 1zrj h ARG 32 N 1.10 0.59 -0.40 2.33 2.43 -0.94 0.19 114.38 119.68 1zrj h ARG 32 Ca 0.26 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1zrj h ARG 32 Cb 0.16 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1zrj h ARG 32 CO -0.03 0.43 0.02 1.25 -1.51 0.00 0.00 179.97 180.13 1zrj h LEU 33 N 0.59 0.68 -0.85 3.80 5.85 -1.06 -2.75 115.31 121.57 1zrj h LEU 33 Ca 0.16 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 1zrj h LEU 33 Cb -0.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1zrj h LEU 33 CO -0.03 0.81 0.03 -0.61 -0.34 0.00 0.00 178.44 178.29 1zrj h GLN 34 N 0.53 0.89 -0.82 1.25 5.75 -1.02 -2.54 115.11 119.14 1zrj h GLN 34 Ca 0.12 -0.24 0.02 0.00 -0.15 0.00 0.00 58.65 58.40 1zrj h GLN 34 Cb 0.45 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 1zrj h GLN 34 CO 0.02 0.86 0.53 0.00 -2.65 0.00 0.00 178.83 177.59 1zrj h ALA 35 N 1.20 1.06 -0.21 3.38 0.00 -0.47 -1.54 119.26 122.69 1zrj h ALA 35 Ca 0.16 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1zrj h ALA 35 Cb 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1zrj h ALA 35 CO 0.02 0.38 -0.33 0.00 0.00 0.00 0.00 179.25 179.32 1zrj h ALA 36 N 1.33 1.06 -0.52 0.00 0.00 -1.26 -3.03 119.26 116.83 1zrj h ALA 36 Ca 0.32 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1zrj h ALA 36 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1zrj h ALA 36 CO -0.10 0.58 -0.00 -0.07 0.00 0.00 0.00 179.25 179.66 1zrj h LEU 37 N 0.37 0.90 -8.55 0.00 3.38 -0.96 -3.40 115.31 107.05 1zrj h LEU 37 Ca 0.04 -0.31 -0.52 0.00 0.09 0.00 0.00 57.88 57.19 1zrj h LEU 37 Cb 0.76 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1zrj h LEU 37 CO 0.06 0.99 1.31 -0.55 0.09 0.00 0.00 178.44 180.34 1zrj s SER 38 N -6.42 5.47 0.13 -0.43 0.15 -0.65 -4.95 113.70 107.00 1zrj s SER 38 Ca -0.12 0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.98 1zrj s SER 38 Cb 0.12 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 1zrj s SER 38 CO 0.83 -2.20 -0.02 -0.83 1.20 0.00 0.00 173.24 172.21 1zrj s GLY 39 N 7.31 0.94 0.03 9.45 0.00 -1.26 -4.96 107.32 118.82 1zrj s GLY 39 Ca 0.66 -1.44 0.15 0.00 0.00 0.00 0.00 44.72 44.09 1zrj s GLY 39 CO 0.23 -1.46 1.48 -1.55 0.00 0.00 0.00 173.10 171.79 1zrj n PRO 40 N -0.11 0.02 -1.46 2.90 -0.04 -1.26 -4.77 135.00 130.27 1zrj n PRO 40 Ca -0.09 0.27 -0.45 0.00 -0.04 0.00 0.00 63.50 63.18 1zrj n PRO 40 Cb 0.62 -1.54 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 1zrj n PRO 40 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1zrj n SER 41 N -1.57 1.52 -4.52 3.54 7.64 -1.26 -4.84 113.62 114.13 1zrj n SER 41 Ca 0.03 0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.65 1zrj n SER 41 Cb 0.17 -1.21 -0.03 0.00 -1.01 0.00 0.00 64.21 62.14 1zrj n SER 41 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1zrj s SER 42 N 8.79 6.47 0.00 6.43 0.01 -1.26 -5.20 113.70 128.95 1zrj s SER 42 Ca 1.15 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1zrj s SER 42 Cb -0.88 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 62.84 1zrj s SER 42 CO 0.45 -1.43 0.00 0.61 0.41 0.00 0.00 173.24 173.29