#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 5.72 -0.34 1.61 0.15 -1.26 -5.03 113.70 114.55 1zrj s SER -5 Ca 0.00 0.10 -0.42 0.00 0.70 0.00 0.00 55.95 56.33 1zrj s SER -5 Cb 0.00 -1.62 -0.17 0.00 -1.71 0.00 0.00 66.02 62.53 1zrj s SER -5 CO 0.00 0.21 1.75 -0.24 1.20 0.00 0.00 173.24 176.16 1zrj n SER -4 N 0.74 2.05 0.00 5.45 2.88 -1.26 -4.33 113.62 119.15 1zrj n SER -4 Ca -0.10 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1zrj n SER -4 Cb 0.52 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 1zrj n SER -4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1zrj n GLY -3 N 4.37 -2.19 3.67 0.46 0.00 -1.26 -5.14 105.19 105.10 1zrj n GLY -3 Ca 0.29 0.71 -0.35 0.00 0.00 0.00 0.00 46.02 46.68 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 -2.58 5.23 0.32 1.61 0.01 -1.26 -5.12 113.70 111.90 1zrj s SER -2 Ca 0.00 0.12 0.05 0.00 1.31 0.00 0.00 55.95 57.44 1zrj s SER -2 Cb 0.00 -1.52 -0.06 0.00 0.21 0.00 0.00 66.02 64.65 1zrj s SER -2 CO 0.00 0.36 0.01 -0.44 0.41 0.00 0.00 173.24 173.57 1zrj s SER -1 N -0.74 2.70 0.00 2.44 0.01 -1.26 -5.01 113.70 111.84 1zrj s SER -1 Ca 0.12 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1zrj s SER -1 Cb -0.12 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1zrj s SER -1 CO 0.02 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1zrj n GLY 0 N -0.67 3.10 3.35 3.44 0.00 -1.26 -5.14 105.19 108.00 1zrj n GLY 0 Ca -0.04 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.50 0.81 -0.53 1.61 0.00 -1.26 -5.11 119.30 111.32 1zrj s MET 1 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 55.69 55.73 1zrj s MET 1 Cb 0.00 0.37 0.19 0.00 0.00 0.00 0.00 34.83 35.39 1zrj s MET 1 CO 0.00 -0.24 0.47 -0.25 0.00 0.00 0.00 175.02 175.01 1zrj n ASP 2 N 1.17 1.30 0.17 1.11 9.92 -1.26 -4.94 116.55 124.02 1zrj n ASP 2 Ca -0.20 -2.83 0.13 0.00 -0.53 0.00 0.00 54.79 51.35 1zrj n ASP 2 Cb 0.56 -0.65 0.68 0.00 -0.64 0.00 0.00 41.12 41.07 1zrj n ASP 2 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1zrj h VAL 3 N 3.96 0.87 0.00 2.53 3.04 -1.96 0.54 116.25 125.23 1zrj h VAL 3 Ca 0.19 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.88 1zrj h VAL 3 Cb 0.82 0.90 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1zrj h VAL 3 CO 0.56 0.00 -0.00 0.03 -1.01 0.00 0.00 177.57 177.15 1zrj h ARG 4 N 0.00 0.00 0.00 4.17 3.08 -1.93 -2.48 114.38 117.22 1zrj h ARG 4 Ca 0.09 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.97 1zrj h ARG 4 Cb 0.37 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1zrj h ARG 4 CO -0.00 0.00 -1.74 -2.13 -1.07 0.00 0.00 179.97 175.03 1zrj n ARG 5 N -3.12 1.89 -1.29 0.04 0.63 0.04 -4.98 116.66 109.87 1zrj n ARG 5 Ca -0.03 -0.02 -0.60 0.00 -0.92 0.00 0.00 57.85 56.29 1zrj n ARG 5 Cb 0.09 -1.29 -0.12 0.00 0.45 0.00 0.00 32.46 31.60 1zrj n ARG 5 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1zrj n LEU 6 N -2.34 0.88 -4.17 6.15 4.77 -0.38 -4.84 117.00 117.07 1zrj n LEU 6 Ca -0.16 0.68 -0.35 0.00 -0.03 0.00 0.00 56.01 56.15 1zrj n LEU 6 Cb 0.79 -0.93 0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1zrj n LEU 6 CO 0.24 -0.77 -1.16 0.29 -1.33 0.00 0.00 177.39 174.66 1zrj n LYS 7 N 7.39 -0.87 -0.36 3.23 5.02 -1.26 -4.47 118.16 126.84 1zrj n LYS 7 Ca 0.53 -0.24 -0.02 0.00 -2.02 0.00 0.00 58.31 56.56 1zrj n LYS 7 Cb -0.02 -1.41 0.13 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.60 1.25 -0.51 -0.18 -1.51 -1.95 -1.88 116.25 109.87 1zrj h VAL 8 Ca -0.47 -0.45 -0.09 0.00 -1.23 0.00 0.00 66.70 64.46 1zrj h VAL 8 Cb 1.37 -0.19 -0.02 0.00 -2.13 0.00 0.00 31.29 30.32 1zrj h VAL 8 CO 0.31 0.24 -0.03 -0.55 -1.23 0.00 0.00 177.57 176.31 1zrj h ASN 9 N 1.32 0.86 -0.32 4.19 7.08 -1.99 -1.69 115.58 125.02 1zrj h ASN 9 Ca 0.36 -0.23 -0.03 0.00 -3.08 0.00 0.00 56.30 53.32 1zrj h ASN 9 Cb -0.15 -0.23 -0.01 0.00 -2.08 0.00 0.00 38.32 35.85 1zrj h ASN 9 CO -0.08 0.94 0.09 -0.33 -2.08 0.00 0.00 177.43 175.97 1zrj h GLU 10 N 0.81 0.51 -0.64 4.14 4.39 -1.70 -0.73 114.58 121.36 1zrj h GLU 10 Ca 0.15 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1zrj h GLU 10 Cb 0.53 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1zrj h GLU 10 CO 0.03 0.56 0.19 -0.07 -1.16 0.00 0.00 179.01 178.56 1zrj h LEU 11 N 0.36 0.94 -0.79 1.33 3.38 -1.24 -1.90 115.31 117.40 1zrj h LEU 11 Ca 0.10 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1zrj h LEU 11 Cb 0.27 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1zrj h LEU 11 CO -0.00 0.91 0.04 0.03 0.09 0.00 0.00 178.44 179.51 1zrj h ARG 12 N 0.93 0.96 -0.30 1.13 3.08 -1.17 -0.77 114.38 118.25 1zrj h ARG 12 Ca 0.21 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1zrj h ARG 12 Cb 0.31 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1zrj h ARG 12 CO -0.00 0.92 0.07 0.93 -1.07 0.00 0.00 179.97 180.81 1zrj h GLU 13 N 0.89 0.48 -0.20 0.04 4.39 -0.86 0.02 114.58 119.34 1zrj h GLU 13 Ca 0.17 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1zrj h GLU 13 Cb 0.46 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1zrj h GLU 13 CO 0.02 0.55 0.02 0.93 -1.16 0.00 0.00 179.01 179.37 1zrj h GLU 14 N 0.31 0.33 -0.76 2.33 4.39 -1.22 -1.94 114.58 118.03 1zrj h GLU 14 Ca 0.09 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1zrj h GLU 14 Cb 0.29 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1zrj h GLU 14 CO 0.00 0.50 0.45 -0.07 -1.16 0.00 0.00 179.01 178.74 1zrj h LEU 15 N 0.11 0.92 -0.53 1.33 3.38 -1.10 -2.07 115.31 117.35 1zrj h LEU 15 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1zrj h LEU 15 Cb 0.34 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1zrj h LEU 15 CO 0.01 0.72 0.29 1.56 0.09 0.00 0.00 178.44 181.10 1zrj h GLN 16 N 1.04 0.75 -0.49 1.13 4.20 -0.89 0.36 115.11 121.21 1zrj h GLN 16 Ca 0.27 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 1zrj h GLN 16 Cb -0.02 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1zrj h GLN 16 CO -0.05 0.58 0.24 -0.09 -0.67 0.00 0.00 178.83 178.84 1zrj h ARG 17 N 0.71 0.68 0.00 1.46 2.43 -1.00 -1.86 114.38 116.81 1zrj h ARG 17 Ca 0.19 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1zrj h ARG 17 Cb 0.06 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1zrj h ARG 17 CO -0.03 0.53 -0.51 0.00 -1.51 0.00 0.00 179.97 178.44 1zrj h ARG 18 N 0.69 0.00 0.00 0.20 3.08 -0.88 -3.48 114.38 113.99 1zrj h ARG 18 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1zrj h ARG 18 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1zrj h ARG 18 CO -0.02 0.18 0.00 0.41 -1.07 0.00 0.00 179.97 179.47 1zrj n GLY 19 N 1.19 0.76 3.88 0.04 0.00 0.96 -5.08 105.19 106.95 1zrj n GLY 19 Ca 0.01 -0.38 -0.32 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 0.00 4.21 0.23 0.99 1.43 0.53 -4.99 118.68 121.09 1zrj s LEU 20 Ca 0.00 0.80 -0.29 0.00 -1.03 0.00 0.00 54.13 53.62 1zrj s LEU 20 Cb 0.00 -3.52 -0.16 0.00 0.03 0.00 0.00 46.19 42.55 1zrj s LEU 20 CO 0.00 -0.02 0.80 -0.67 0.23 0.00 0.00 176.35 176.69 1zrj n ASP 21 N 0.00 0.09 -0.80 2.29 2.03 -1.26 -4.26 116.55 114.64 1zrj n ASP 21 Ca -0.01 1.15 0.03 0.00 0.52 0.00 0.00 54.79 56.48 1zrj n ASP 21 Cb 0.52 -1.12 0.20 0.00 -0.72 0.00 0.00 41.12 40.01 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 0.24 2.32 -4.01 5.18 -2.24 -1.26 -4.90 114.28 109.60 1zrj n THR 22 Ca 0.14 -2.59 -0.26 0.00 -2.27 0.00 0.00 64.05 59.08 1zrj n THR 22 Cb 0.28 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 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 -3.10 3.18 0.00 -0.78 1.81 -1.26 -4.99 118.95 113.81 1zrj s ARG 23 Ca 0.41 -0.74 0.00 0.00 -1.72 0.00 0.00 55.73 53.67 1zrj s ARG 23 Cb 0.36 -2.81 0.00 0.00 -0.45 0.00 0.00 34.95 32.06 1zrj s ARG 23 CO 0.01 0.50 0.00 0.41 -0.68 0.00 0.00 175.30 175.53 1zrj n GLY 24 N -0.52 2.29 3.48 -3.53 0.00 -1.26 -4.65 105.19 101.01 1zrj n GLY 24 Ca -0.08 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 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 0.76 0.15 0.99 1.43 -1.26 -4.61 118.68 116.14 1zrj s LEU 25 Ca 0.00 1.50 -0.19 0.00 -1.03 0.00 0.00 54.13 54.41 1zrj s LEU 25 Cb 0.00 -3.39 0.05 0.00 0.03 0.00 0.00 46.19 42.88 1zrj s LEU 25 CO 0.00 -4.26 1.68 0.50 0.23 0.00 0.00 176.35 174.49 1zrj h LYS 26 N -2.67 -0.03 -0.56 1.70 3.64 -1.96 -0.77 116.57 115.92 1zrj h LYS 26 Ca -0.62 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 58.86 1zrj h LYS 26 Cb 1.34 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 33.09 1zrj h LYS 26 CO 0.51 -0.02 0.15 0.00 -2.27 0.00 0.00 179.45 177.82 1zrj h ALA 27 N 1.26 0.68 -0.59 5.00 0.00 -1.97 0.27 119.26 123.91 1zrj h ALA 27 Ca 0.15 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1zrj h ALA 27 Cb 0.26 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1zrj h ALA 27 CO -0.34 -0.27 0.35 0.93 0.00 0.00 0.00 179.25 179.93 1zrj h GLU 28 N 0.30 0.81 -0.61 0.00 4.39 -1.68 -1.50 114.58 116.29 1zrj h GLU 28 Ca 0.29 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.81 1zrj h GLU 28 Cb 0.39 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1zrj h GLU 28 CO -0.34 0.59 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.03 1zrj h LEU 29 N 0.80 1.05 -0.33 1.33 3.38 -0.16 -2.07 115.31 119.31 1zrj h LEU 29 Ca 0.21 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1zrj h LEU 29 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1zrj h LEU 29 CO -0.04 1.10 0.20 0.00 0.09 0.00 0.00 178.44 179.79 1zrj h ALA 30 N 0.99 0.41 -0.80 1.53 0.00 -0.16 -0.61 119.26 120.63 1zrj h ALA 30 Ca 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1zrj h ALA 30 Cb 0.56 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1zrj h ALA 30 CO 0.03 -0.09 0.32 0.93 0.00 0.00 0.00 179.25 180.44 1zrj h GLU 31 N 0.42 1.19 -0.47 0.00 4.39 -1.19 -0.80 114.58 118.13 1zrj h GLU 31 Ca 0.12 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1zrj h GLU 31 Cb 0.00 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1zrj h GLU 31 CO -0.02 0.97 0.13 -0.09 -1.16 0.00 0.00 179.01 178.83 1zrj h ARG 32 N 1.16 0.74 -0.37 2.33 2.43 -1.06 -0.82 114.38 118.80 1zrj h ARG 32 Ca 0.27 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1zrj h ARG 32 Cb 0.22 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1zrj h ARG 32 CO -0.02 0.72 0.04 1.25 -1.51 0.00 0.00 179.97 180.45 1zrj h LEU 33 N 0.63 0.61 -0.64 3.80 5.85 -0.88 -2.75 115.31 121.92 1zrj h LEU 33 Ca 0.15 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1zrj h LEU 33 Cb 0.31 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1zrj h LEU 33 CO -0.00 0.74 0.32 -0.61 -0.34 0.00 0.00 178.44 178.54 1zrj h GLN 34 N 0.46 0.92 -0.73 1.25 5.75 -1.04 -1.29 115.11 120.43 1zrj h GLN 34 Ca 0.11 -0.13 0.07 0.00 -0.15 0.00 0.00 58.65 58.55 1zrj h GLN 34 Cb 0.40 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.72 1zrj h GLN 34 CO 0.01 0.73 0.41 0.00 -2.65 0.00 0.00 178.83 177.34 1zrj h ALA 35 N 1.14 1.01 -0.38 3.38 0.00 -1.03 -0.35 119.26 123.03 1zrj h ALA 35 Ca 0.22 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1zrj h ALA 35 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1zrj h ALA 35 CO -0.03 0.08 -0.36 0.00 0.00 0.00 0.00 179.25 178.94 1zrj h ALA 36 N 1.39 0.55 -0.17 0.00 0.00 -1.19 -3.21 119.26 116.62 1zrj h ALA 36 Ca 0.34 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1zrj h ALA 36 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1zrj h ALA 36 CO -0.20 0.64 0.11 -0.07 0.00 0.00 0.00 179.25 179.73 1zrj h LEU 37 N 0.72 0.20 -9.08 0.00 3.38 -0.59 -3.43 115.31 106.51 1zrj h LEU 37 Ca 0.06 -0.01 -0.80 0.00 0.09 0.00 0.00 57.88 57.22 1zrj h LEU 37 Cb 0.96 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 41.68 1zrj h LEU 37 CO 0.09 0.15 0.56 -1.20 0.09 0.00 0.00 178.44 178.14 1zrj n SER 38 N -4.96 1.29 -4.45 -0.43 7.64 -0.20 -4.81 113.62 107.69 1zrj n SER 38 Ca -0.04 1.14 -0.38 0.00 1.01 0.00 0.00 58.87 60.60 1zrj n SER 38 Cb 0.03 -1.00 0.03 0.00 -1.01 0.00 0.00 64.21 62.26 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 3.26 -1.65 3.75 0.23 0.00 -1.26 -4.89 105.19 104.63 1zrj n GLY 39 Ca 0.26 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.94 4.42 -0.29 1.61 0.04 -1.26 -5.02 135.00 132.55 1zrj s PRO 40 Ca 0.67 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.61 1zrj s PRO 40 Cb -0.46 -3.17 0.14 0.00 0.04 0.00 0.00 34.50 31.06 1zrj s PRO 40 CO 0.56 -0.17 0.93 -1.54 0.04 0.00 0.00 177.00 176.82 1zrj s SER 41 N -0.01 -0.62 0.35 6.66 1.04 -1.26 -5.18 113.70 114.68 1zrj s SER 41 Ca 0.53 0.92 -0.11 0.00 0.48 0.00 0.00 55.95 57.78 1zrj s SER 41 Cb -0.36 1.45 0.03 0.00 0.10 0.00 0.00 66.02 67.23 1zrj s SER 41 CO 0.42 -0.14 0.63 -0.44 0.98 0.00 0.00 173.24 174.69 1zrj s SER 42 N 1.84 0.34 0.00 7.02 0.01 -1.26 -5.28 113.70 116.37 1zrj s SER 42 Ca -0.07 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 55.97 1zrj s SER 42 Cb -0.05 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.92 1zrj s SER 42 CO -0.16 -1.45 0.00 0.61 0.41 0.00 0.00 173.24 172.64