#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 -0.13 0.32 1.61 0.01 -1.26 -5.18 113.70 109.07 1zrj s SER -5 Ca 0.00 -0.80 0.09 0.00 1.31 0.00 0.00 55.95 56.55 1zrj s SER -5 Cb 0.00 0.71 -0.05 0.00 0.21 0.00 0.00 66.02 66.90 1zrj s SER -5 CO 0.00 -1.35 0.07 -0.55 0.41 0.00 0.00 173.24 171.82 1zrj s SER -4 N -2.98 4.50 0.00 2.44 0.15 -1.26 -4.93 113.70 111.62 1zrj s SER -4 Ca 0.15 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1zrj s SER -4 Cb -0.04 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1zrj s SER -4 CO 0.09 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1zrj n GLY -3 N -1.03 0.47 3.97 9.45 0.00 -1.26 -5.14 105.19 111.66 1zrj n GLY -3 Ca -0.04 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 6.15 -0.30 1.61 0.01 -1.26 -5.10 113.70 114.81 1zrj s SER -2 Ca 0.00 0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.34 1zrj s SER -2 Cb 0.00 -1.64 0.09 0.00 0.21 0.00 0.00 66.02 64.68 1zrj s SER -2 CO 0.00 -0.29 0.03 -0.44 0.41 0.00 0.00 173.24 172.95 1zrj s SER -1 N -4.08 4.35 0.00 2.44 0.01 -1.26 -4.97 113.70 110.19 1zrj s SER -1 Ca 0.40 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 55.90 1zrj s SER -1 Cb -0.09 -1.32 0.00 0.00 0.21 0.00 0.00 66.02 64.82 1zrj s SER -1 CO 0.32 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1zrj n GLY 0 N 4.51 -1.07 3.66 3.44 0.00 -1.26 -4.97 105.19 109.50 1zrj n GLY 0 Ca -0.02 -0.78 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 1zrj n GLY 0 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1zrj n MET 1 N 1.39 1.94 -2.36 1.61 0.00 -1.26 -4.88 117.12 113.57 1zrj n MET 1 Ca 0.00 0.69 -0.43 0.00 0.00 0.00 0.00 57.70 57.96 1zrj n MET 1 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 33.22 30.86 1zrj n MET 1 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1zrj s ASP 2 N 0.30 6.40 0.44 6.12 1.11 -1.26 -4.87 116.67 124.90 1zrj s ASP 2 Ca 0.70 0.92 0.19 0.00 0.18 0.00 0.00 52.55 54.54 1zrj s ASP 2 Cb -0.68 -2.54 1.01 0.00 1.07 0.00 0.00 42.92 41.79 1zrj s ASP 2 CO 0.49 -1.36 1.92 1.62 1.18 0.00 0.00 175.17 179.02 1zrj h VAL 3 N 6.36 0.92 0.00 -1.27 3.04 -1.96 -2.33 116.25 121.01 1zrj h VAL 3 Ca -0.27 -0.96 -0.04 0.00 -1.01 0.00 0.00 66.70 64.41 1zrj h VAL 3 Cb 1.11 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.94 1zrj h VAL 3 CO 1.07 0.25 -0.21 0.03 -1.01 0.00 0.00 177.57 177.71 1zrj h ARG 4 N 0.00 0.00 -0.99 4.17 3.08 -1.96 -2.56 114.38 116.13 1zrj h ARG 4 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.49 1zrj h ARG 4 Cb 0.54 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.29 1zrj h ARG 4 CO 0.03 0.21 0.69 0.54 -1.07 0.00 0.00 179.97 180.37 1zrj n ARG 5 N -3.65 2.36 -3.91 0.04 1.74 -0.88 -4.85 116.66 107.51 1zrj n ARG 5 Ca -0.01 -3.09 -0.30 0.00 -0.77 0.00 0.00 57.85 53.68 1zrj n ARG 5 Cb 0.33 -2.20 -0.16 0.00 -1.02 0.00 0.00 32.46 29.41 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 -3.43 2.21 1.09 0.55 1.43 -0.97 -4.99 118.68 114.57 1zrj s LEU 6 Ca 0.59 -1.03 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 1zrj s LEU 6 Cb 0.49 -1.06 0.11 0.00 0.03 0.00 0.00 46.19 45.75 1zrj s LEU 6 CO 0.08 -0.23 -0.03 0.29 0.23 0.00 0.00 176.35 176.69 1zrj n LYS 7 N 4.76 -1.75 -0.37 1.70 4.76 -1.26 -4.48 118.16 121.51 1zrj n LYS 7 Ca -0.12 -0.50 -0.00 0.00 -2.87 0.00 0.00 58.31 54.82 1zrj n LYS 7 Cb 0.45 -1.59 0.14 0.00 -1.84 0.00 0.00 35.03 32.20 1zrj n LYS 7 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1zrj h VAL 8 N -2.19 1.19 -0.30 -0.18 -1.51 -1.98 -1.79 116.25 109.49 1zrj h VAL 8 Ca -0.45 -0.44 -0.11 0.00 -1.23 0.00 0.00 66.70 64.47 1zrj h VAL 8 Cb 1.21 -0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 1zrj h VAL 8 CO 0.31 0.23 -0.26 -0.55 -1.23 0.00 0.00 177.57 176.07 1zrj h ASN 9 N 1.28 0.60 -0.38 4.19 -1.07 -1.99 -1.99 115.58 116.21 1zrj h ASN 9 Ca 0.39 -0.22 -0.04 0.00 0.07 0.00 0.00 56.30 56.51 1zrj h ASN 9 Cb -0.04 -0.17 -0.02 0.00 -2.07 0.00 0.00 38.32 36.03 1zrj h ASN 9 CO -0.11 0.85 0.10 -0.33 0.07 0.00 0.00 177.43 178.01 1zrj h GLU 10 N 0.52 0.61 -0.51 4.14 4.39 -1.65 -1.80 114.58 120.28 1zrj h GLU 10 Ca 0.07 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1zrj h GLU 10 Cb 0.72 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1zrj h GLU 10 CO 0.06 0.63 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.39 1zrj h LEU 11 N 0.48 0.91 -0.37 1.33 3.38 -1.27 -1.78 115.31 117.99 1zrj h LEU 11 Ca 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1zrj h LEU 11 Cb 0.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1zrj h LEU 11 CO -0.00 1.02 0.19 0.03 0.09 0.00 0.00 178.44 179.76 1zrj h ARG 12 N 0.83 0.53 -0.59 1.13 3.08 -1.19 0.80 114.38 118.98 1zrj h ARG 12 Ca 0.14 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 1zrj h ARG 12 Cb 0.61 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1zrj h ARG 12 CO 0.04 0.46 0.08 1.05 -1.07 0.00 0.00 179.97 180.53 1zrj h GLU 13 N 0.47 0.98 -0.25 0.04 4.11 -1.22 -0.17 114.58 118.54 1zrj h GLU 13 Ca 0.13 -0.27 -0.03 0.00 0.07 0.00 0.00 59.36 59.26 1zrj h GLU 13 Cb 0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1zrj h GLU 13 CO -0.02 0.94 0.03 0.93 0.07 0.00 0.00 179.01 180.96 1zrj h GLU 14 N 0.88 0.41 -0.64 1.06 4.39 -1.10 -1.58 114.58 118.00 1zrj h GLU 14 Ca 0.18 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 1zrj h GLU 14 Cb 0.44 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 1zrj h GLU 14 CO 0.01 0.55 0.15 -0.07 -1.16 0.00 0.00 179.01 178.49 1zrj h LEU 15 N 0.21 0.98 -0.47 1.33 3.38 -0.76 -2.60 115.31 117.39 1zrj h LEU 15 Ca 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1zrj h LEU 15 Cb 0.35 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1zrj h LEU 15 CO 0.01 0.97 0.25 -0.61 0.09 0.00 0.00 178.44 179.14 1zrj h GLN 16 N 0.95 0.66 0.00 1.13 -0.00 -0.93 0.29 115.11 117.21 1zrj h GLN 16 Ca 0.20 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.76 1zrj h GLN 16 Cb 0.37 -0.13 -0.00 0.00 0.00 0.00 0.00 27.48 27.73 1zrj h GLN 16 CO 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 178.83 179.32 1zrj h ARG 17 N 0.61 0.00 0.04 1.69 3.08 -1.13 -2.38 114.38 116.29 1zrj h ARG 17 Ca 0.16 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.89 1zrj h ARG 17 Cb 0.07 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1zrj h ARG 17 CO -0.02 0.05 -1.85 -2.13 -1.07 0.00 0.00 179.97 174.94 1zrj n ARG 18 N -3.45 0.68 0.00 0.04 0.63 -0.71 -4.99 116.66 108.86 1zrj n ARG 18 Ca -0.02 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 1zrj n ARG 18 Cb 0.17 -1.75 0.00 0.00 0.45 0.00 0.00 32.46 31.33 1zrj n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1zrj n GLY 19 N 1.73 1.40 3.90 5.14 0.00 0.84 -5.10 105.19 113.09 1zrj n GLY 19 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 4.36 0.23 0.99 1.43 -0.14 -5.00 118.68 120.55 1zrj s LEU 20 Ca 0.00 0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 53.23 1zrj s LEU 20 Cb 0.00 -2.70 -0.16 0.00 0.03 0.00 0.00 46.19 43.36 1zrj s LEU 20 CO 0.00 0.24 0.69 -0.67 0.23 0.00 0.00 176.35 176.84 1zrj n ASP 21 N 0.88 -0.34 -1.84 2.29 -0.08 -1.26 -4.15 116.55 112.05 1zrj n ASP 21 Ca -0.10 1.15 -0.21 0.00 -1.51 0.00 0.00 54.79 54.12 1zrj n ASP 21 Cb 0.52 -1.07 0.09 0.00 2.34 0.00 0.00 41.12 43.01 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 0.08 2.83 -4.25 5.18 -2.24 -1.26 -4.88 114.28 109.75 1zrj n THR 22 Ca 0.15 -3.41 -0.25 0.00 -2.27 0.00 0.00 64.05 58.27 1zrj n THR 22 Cb 0.27 -0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 67.54 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 -3.55 2.16 0.00 -0.78 0.52 -1.26 -5.00 118.95 111.04 1zrj s ARG 23 Ca 0.53 -1.87 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 1zrj s ARG 23 Cb 0.44 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.99 1zrj s ARG 23 CO 0.01 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.68 1zrj n GLY 24 N -1.15 0.66 3.55 -3.53 0.00 -1.26 -4.57 105.19 98.89 1zrj n GLY 24 Ca -0.02 -1.84 -0.29 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 -1.21 0.74 0.16 0.99 1.43 -1.26 -4.68 118.68 114.85 1zrj s LEU 25 Ca 0.00 1.05 -0.16 0.00 -1.03 0.00 0.00 54.13 53.99 1zrj s LEU 25 Cb 0.00 -2.93 0.09 0.00 0.03 0.00 0.00 46.19 43.38 1zrj s LEU 25 CO 0.00 -4.01 1.71 0.50 0.23 0.00 0.00 176.35 174.78 1zrj h LYS 26 N -2.50 0.14 -0.53 1.70 3.64 -1.96 -1.17 116.57 115.89 1zrj h LYS 26 Ca -0.53 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 58.92 1zrj h LYS 26 Cb 1.33 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 1zrj h LYS 26 CO 0.46 0.09 0.20 0.00 -2.27 0.00 0.00 179.45 177.93 1zrj h ALA 27 N 1.31 0.65 -0.63 5.00 0.00 -1.99 0.20 119.26 123.81 1zrj h ALA 27 Ca 0.18 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1zrj h ALA 27 Cb 0.24 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1zrj h ALA 27 CO -0.28 -0.19 0.41 0.93 0.00 0.00 0.00 179.25 180.12 1zrj h GLU 28 N 0.39 0.81 -0.42 0.00 4.39 -1.71 0.20 114.58 118.24 1zrj h GLU 28 Ca 0.25 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.83 1zrj h GLU 28 Cb 0.27 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1zrj h GLU 28 CO -0.25 0.54 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.04 1zrj h LEU 29 N 0.84 0.75 -0.19 1.33 3.38 -0.48 -1.18 115.31 119.75 1zrj h LEU 29 Ca 0.23 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1zrj h LEU 29 Cb -0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1zrj h LEU 29 CO -0.06 0.90 0.10 0.00 0.09 0.00 0.00 178.44 179.47 1zrj h ALA 30 N 0.88 0.24 -0.74 1.53 0.00 -0.31 0.21 119.26 121.06 1zrj h ALA 30 Ca 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1zrj h ALA 30 Cb 0.53 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1zrj h ALA 30 CO 0.03 -0.20 0.28 0.93 0.00 0.00 0.00 179.25 180.29 1zrj h GLU 31 N 0.19 1.11 -0.36 0.00 4.39 -0.93 -0.54 114.58 118.44 1zrj h GLU 31 Ca 0.07 -0.20 -0.16 0.00 0.34 0.00 0.00 59.36 59.41 1zrj h GLU 31 Cb 0.10 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1zrj h GLU 31 CO -0.01 0.91 -0.40 -0.09 -1.16 0.00 0.00 179.01 178.26 1zrj h ARG 32 N 1.08 0.90 -0.32 2.33 2.43 -0.98 -2.64 114.38 117.19 1zrj h ARG 32 Ca 0.25 -0.49 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 1zrj h ARG 32 Cb 0.22 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1zrj h ARG 32 CO -0.02 1.14 0.03 1.25 -1.51 0.00 0.00 179.97 180.87 1zrj h LEU 33 N 0.71 0.53 -1.24 3.80 5.85 -0.34 -2.90 115.31 121.72 1zrj h LEU 33 Ca 0.05 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1zrj h LEU 33 Cb 1.00 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1zrj h LEU 33 CO 0.10 0.67 0.52 -0.61 -0.34 0.00 0.00 178.44 178.78 1zrj h GLN 34 N 0.36 0.99 -0.78 1.25 5.75 -1.10 -1.30 115.11 120.27 1zrj h GLN 34 Ca 0.10 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1zrj h GLN 34 Cb 0.38 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 1zrj h GLN 34 CO 0.01 0.65 0.52 0.00 -2.65 0.00 0.00 178.83 177.36 1zrj h ALA 35 N 1.53 1.49 0.00 3.38 0.00 -1.27 0.14 119.26 124.53 1zrj h ALA 35 Ca 0.30 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.91 1zrj h ALA 35 Cb -0.05 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 17.47 1zrj h ALA 35 CO -0.08 0.44 -1.00 0.00 0.00 0.00 0.00 179.25 178.62 1zrj h ALA 36 N 1.53 0.12 -0.04 0.00 0.00 -1.21 -3.32 119.26 116.33 1zrj h ALA 36 Ca 0.30 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1zrj h ALA 36 Cb -0.02 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1zrj h ALA 36 CO -0.08 0.65 0.01 -0.07 0.00 0.00 0.00 179.25 179.76 1zrj h LEU 37 N 0.34 0.06 -9.09 0.00 3.38 -0.84 -3.41 115.31 105.75 1zrj h LEU 37 Ca -0.13 -0.25 -0.56 0.00 0.09 0.00 0.00 57.88 57.03 1zrj h LEU 37 Cb 1.66 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 1zrj h LEU 37 CO 0.20 0.30 1.11 -0.55 0.09 0.00 0.00 178.44 179.58 1zrj s SER 38 N -5.51 6.47 0.56 -0.43 0.15 0.45 -4.98 113.70 110.41 1zrj s SER 38 Ca -0.14 1.75 -0.18 0.00 0.70 0.00 0.00 55.95 58.07 1zrj s SER 38 Cb 0.04 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 1zrj s SER 38 CO 0.68 -1.16 1.10 -0.83 1.20 0.00 0.00 173.24 174.22 1zrj s GLY 39 N 3.94 2.43 0.48 9.45 0.00 -1.26 -4.85 107.32 117.50 1zrj s GLY 39 Ca 0.71 0.65 0.27 0.00 0.00 0.00 0.00 44.72 46.35 1zrj s GLY 39 CO 0.28 0.99 1.91 -0.56 0.00 0.00 0.00 173.10 175.73 1zrj h PRO 40 N 0.90 0.00 -6.16 2.90 0.13 -1.93 -3.44 132.00 124.40 1zrj h PRO 40 Ca -0.49 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.08 1zrj h PRO 40 Cb 1.24 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.28 1zrj h PRO 40 CO 0.57 0.16 -0.63 -1.54 -0.23 0.00 0.00 178.00 176.33 1zrj s SER 41 N -6.07 4.48 0.13 1.44 1.04 -1.26 -5.04 113.70 108.41 1zrj s SER 41 Ca -0.00 -0.73 -0.19 0.00 0.48 0.00 0.00 55.95 55.51 1zrj s SER 41 Cb 0.11 -0.76 -0.05 0.00 0.10 0.00 0.00 66.02 65.42 1zrj s SER 41 CO 0.60 -0.09 1.77 -1.28 0.98 0.00 0.00 173.24 175.23 1zrj h SER 42 N 1.83 0.17 0.00 7.02 0.87 -2.04 -3.53 113.55 117.87 1zrj h SER 42 Ca -0.44 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1zrj h SER 42 Cb 1.25 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1zrj h SER 42 CO 0.62 0.13 0.00 0.61 -0.53 0.00 0.00 176.83 177.66