#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 6.08 0.21 1.61 1.04 -1.26 -4.91 113.70 116.48 1zrj s SER -5 Ca 0.00 -0.79 -0.21 0.00 0.48 0.00 0.00 55.95 55.43 1zrj s SER -5 Cb 0.00 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.60 1zrj s SER -5 CO 0.00 -1.87 0.63 -0.44 0.98 0.00 0.00 173.24 172.54 1zrj s SER -4 N 5.19 -0.41 0.03 7.02 0.01 -1.26 -5.14 113.70 119.14 1zrj s SER -4 Ca 0.47 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1zrj s SER -4 Cb -0.05 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1zrj s SER -4 CO 0.04 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.17 1zrj n GLY -3 N -0.40 -3.17 3.28 3.44 0.00 -1.26 -5.11 105.19 101.97 1zrj n GLY -3 Ca -0.11 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 1zrj n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zrj s SER -2 N -1.82 1.20 -0.29 1.61 0.15 -1.26 -5.08 113.70 108.22 1zrj s SER -2 Ca 0.00 -1.63 0.14 0.00 0.70 0.00 0.00 55.95 55.16 1zrj s SER -2 Cb 0.00 0.52 0.48 0.00 -1.71 0.00 0.00 66.02 65.31 1zrj s SER -2 CO 0.00 -1.02 1.14 -0.24 1.20 0.00 0.00 173.24 174.32 1zrj n SER -1 N -1.19 3.41 -3.53 5.45 2.88 -1.26 -5.06 113.62 114.32 1zrj n SER -1 Ca 0.05 -3.00 -0.12 0.00 -1.33 0.00 0.00 58.87 54.47 1zrj n SER -1 Cb 0.63 -0.41 -0.04 0.00 -0.75 0.00 0.00 64.21 63.64 1zrj n SER -1 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1zrj s GLY 0 N -3.66 -0.44 -0.30 0.46 0.00 -1.26 -5.13 107.32 96.99 1zrj s GLY 0 Ca 0.40 1.40 -0.10 0.00 0.00 0.00 0.00 44.72 46.42 1zrj s GLY 0 CO -0.00 0.73 0.71 -0.29 0.00 0.00 0.00 173.10 174.24 1zrj s MET 1 N -1.97 0.53 -1.09 2.90 0.00 -1.26 -5.09 119.30 113.32 1zrj s MET 1 Ca -0.02 1.32 -0.14 0.00 0.00 0.00 0.00 55.69 56.85 1zrj s MET 1 Cb -0.01 0.79 0.20 0.00 0.00 0.00 0.00 34.83 35.81 1zrj s MET 1 CO -0.01 -0.20 1.23 -0.51 0.00 0.00 0.00 175.02 175.53 1zrj s ASP 2 N 2.83 7.02 0.36 1.11 1.01 -1.26 -4.86 116.67 122.88 1zrj s ASP 2 Ca -0.04 -2.94 0.12 0.00 0.71 0.00 0.00 52.55 50.40 1zrj s ASP 2 Cb -0.11 -2.33 0.93 0.00 1.01 0.00 0.00 42.92 42.42 1zrj s ASP 2 CO -0.19 -0.67 1.80 1.62 0.21 0.00 0.00 175.17 177.94 1zrj h VAL 3 N 4.64 0.66 0.00 -1.27 3.04 -1.96 0.54 116.25 121.91 1zrj h VAL 3 Ca 0.23 -0.20 -0.03 0.00 -1.01 0.00 0.00 66.70 65.69 1zrj h VAL 3 Cb 0.92 0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.24 1zrj h VAL 3 CO 1.11 0.10 -0.15 0.08 -1.01 0.00 0.00 177.57 177.70 1zrj h ARG 4 N 0.57 0.00 -0.98 4.17 0.11 -1.94 -2.19 114.38 114.13 1zrj h ARG 4 Ca 0.54 0.00 -0.43 0.00 0.10 0.00 0.00 59.98 60.19 1zrj h ARG 4 Cb 1.11 0.00 -0.26 0.00 1.11 0.00 0.00 29.97 31.93 1zrj h ARG 4 CO -0.29 0.15 0.54 0.54 0.10 0.00 0.00 179.97 181.02 1zrj n ARG 5 N -3.67 2.26 -4.04 0.08 5.12 0.19 -4.85 116.66 111.74 1zrj n ARG 5 Ca -0.02 -2.66 -0.31 0.00 -1.93 0.00 0.00 57.85 52.93 1zrj n ARG 5 Cb 0.27 -2.05 -0.16 0.00 -1.16 0.00 0.00 32.46 29.37 1zrj n ARG 5 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1zrj s LEU 6 N -2.88 2.52 1.08 0.55 1.43 -0.82 -4.98 118.68 115.58 1zrj s LEU 6 Ca 0.50 -0.95 -0.20 0.00 -1.03 0.00 0.00 54.13 52.44 1zrj s LEU 6 Cb 0.42 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 45.31 1zrj s LEU 6 CO 0.10 -0.12 -0.34 0.29 0.23 0.00 0.00 176.35 176.50 1zrj n LYS 7 N 4.61 -1.15 -0.34 1.70 5.02 -1.26 -4.39 118.16 122.36 1zrj n LYS 7 Ca -0.16 -0.32 0.03 0.00 -2.02 0.00 0.00 58.31 55.84 1zrj n LYS 7 Cb 0.46 -1.54 0.17 0.00 -0.02 0.00 0.00 35.03 34.11 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 -1.78 1.03 -0.59 -0.18 -1.51 -1.98 -0.98 116.25 110.26 1zrj h VAL 8 Ca -0.50 -0.36 -0.08 0.00 -1.23 0.00 0.00 66.70 64.54 1zrj h VAL 8 Cb 1.36 -0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.40 1zrj h VAL 8 CO 0.34 0.19 0.07 0.78 -1.23 0.00 0.00 177.57 177.72 1zrj h ASN 9 N 1.04 0.96 -0.35 4.19 4.21 -2.00 -2.07 115.58 121.56 1zrj h ASN 9 Ca 0.42 -0.27 -0.02 0.00 1.21 0.00 0.00 56.30 57.63 1zrj h ASN 9 Cb 0.23 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.16 1zrj h ASN 9 CO -0.19 1.00 0.15 -0.33 -1.29 0.00 0.00 177.43 176.76 1zrj h GLU 10 N 0.89 0.52 -0.77 0.81 5.08 -1.64 -2.10 114.58 117.39 1zrj h GLU 10 Ca 0.18 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1zrj h GLU 10 Cb 0.46 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1zrj h GLU 10 CO 0.02 0.51 0.47 -0.07 -1.00 0.00 0.00 179.01 178.94 1zrj h LEU 11 N 0.43 0.91 -0.91 1.33 3.38 -1.10 -2.27 115.31 117.08 1zrj h LEU 11 Ca 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1zrj h LEU 11 Cb 0.17 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1zrj h LEU 11 CO -0.01 0.70 0.52 0.03 0.09 0.00 0.00 178.44 179.77 1zrj h ARG 12 N 1.05 1.25 -0.39 1.13 3.08 -1.16 0.42 114.38 119.76 1zrj h ARG 12 Ca 0.28 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1zrj h ARG 12 Cb -0.06 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.72 1zrj h ARG 12 CO -0.05 0.89 0.20 0.93 -1.07 0.00 0.00 179.97 180.87 1zrj h GLU 13 N 1.26 0.55 -0.42 0.04 5.08 -0.89 0.12 114.58 120.31 1zrj h GLU 13 Ca 0.32 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1zrj h GLU 13 Cb -0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1zrj h GLU 13 CO -0.06 0.46 -0.15 0.93 -1.00 0.00 0.00 179.01 179.20 1zrj h GLU 14 N 0.49 0.84 -0.63 2.33 5.08 -1.10 -2.63 114.58 118.95 1zrj h GLU 14 Ca 0.13 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1zrj h GLU 14 Cb 0.09 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1zrj h GLU 14 CO -0.02 0.98 0.11 -0.07 -1.00 0.00 0.00 179.01 179.01 1zrj h LEU 15 N 0.66 0.98 -0.81 1.33 3.38 -0.74 -2.79 115.31 117.31 1zrj h LEU 15 Ca 0.10 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1zrj h LEU 15 Cb 0.70 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1zrj h LEU 15 CO 0.05 0.97 0.39 -0.61 0.09 0.00 0.00 178.44 179.33 1zrj h GLN 16 N 0.97 1.17 -0.59 1.13 -0.00 -0.67 0.11 115.11 117.23 1zrj h GLN 16 Ca 0.20 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.65 58.66 1zrj h GLN 16 Cb 0.41 -0.21 -0.03 0.00 0.00 0.00 0.00 27.48 27.65 1zrj h GLN 16 CO 0.01 0.90 0.32 0.00 0.00 0.00 0.00 178.83 180.07 1zrj h ARG 17 N 1.15 0.80 -0.45 1.69 3.08 -1.21 -0.56 114.38 118.88 1zrj h ARG 17 Ca 0.28 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1zrj h ARG 17 Cb 0.12 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1zrj h ARG 17 CO -0.04 0.59 0.00 0.54 -1.07 0.00 0.00 179.97 179.99 1zrj n ARG 18 N -4.39 1.96 -1.91 0.04 1.74 -0.92 -4.88 116.66 108.30 1zrj n ARG 18 Ca 0.05 -1.14 -0.18 0.00 -0.77 0.00 0.00 57.85 55.81 1zrj n ARG 18 Cb 0.09 -1.40 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 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 0.77 0.78 3.85 -0.13 0.00 -0.22 -4.95 105.19 105.30 1zrj n GLY 19 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.06 4.38 0.25 0.99 1.43 0.33 -5.00 118.68 115.99 1zrj s LEU 20 Ca 0.00 0.92 -0.29 0.00 -1.03 0.00 0.00 54.13 53.72 1zrj s LEU 20 Cb 0.00 -2.97 -0.15 0.00 0.03 0.00 0.00 46.19 43.10 1zrj s LEU 20 CO 0.00 0.19 1.03 -0.67 0.23 0.00 0.00 176.35 177.13 1zrj n ASP 21 N 1.09 1.16 -2.01 2.29 -0.08 -1.26 -4.16 116.55 113.57 1zrj n ASP 21 Ca -0.09 1.16 -0.25 0.00 -1.51 0.00 0.00 54.79 54.11 1zrj n ASP 21 Cb 0.52 -1.25 0.11 0.00 2.34 0.00 0.00 41.12 42.84 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 0.61 3.11 -4.00 5.18 -2.24 -1.26 -4.91 114.28 110.77 1zrj n THR 22 Ca 0.12 -2.98 -0.23 0.00 -2.27 0.00 0.00 64.05 58.69 1zrj n THR 22 Cb 0.29 -0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 67.61 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 -3.57 2.44 0.00 -0.78 1.81 -1.26 -5.02 118.95 112.57 1zrj s ARG 23 Ca 0.56 -1.52 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 1zrj s ARG 23 Cb 0.46 -2.24 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 1zrj s ARG 23 CO 0.02 0.06 0.00 0.41 -0.68 0.00 0.00 175.30 175.11 1zrj n GLY 24 N -1.24 2.09 3.27 -3.53 0.00 -1.26 -4.62 105.19 99.90 1zrj n GLY 24 Ca -0.02 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.06 -1.44 0.17 0.99 4.77 -1.26 -4.60 117.00 115.57 1zrj n LEU 25 Ca 0.00 -0.43 -0.14 0.00 -0.03 0.00 0.00 56.01 55.41 1zrj n LEU 25 Cb 0.00 -1.03 -0.07 0.00 -2.33 0.00 0.00 43.42 39.99 1zrj n LEU 25 CO 0.00 -3.68 0.75 0.50 -1.33 0.00 0.00 177.39 173.63 1zrj h LYS 26 N -2.89 -0.41 -0.75 3.23 3.64 -1.98 -1.67 116.57 115.73 1zrj h LYS 26 Ca -0.48 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.03 1zrj h LYS 26 Cb 1.24 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 33.08 1zrj h LYS 26 CO 0.34 -0.27 0.40 0.00 -2.27 0.00 0.00 179.45 177.64 1zrj h ALA 27 N 0.29 1.06 -0.65 5.00 0.00 -2.00 -1.50 119.26 121.47 1zrj h ALA 27 Ca -0.02 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1zrj h ALA 27 Cb 0.36 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1zrj h ALA 27 CO 0.02 -0.00 0.41 0.93 0.00 0.00 0.00 179.25 180.60 1zrj h GLU 28 N 0.66 0.80 -0.56 0.00 4.39 -1.81 -1.93 114.58 116.14 1zrj h GLU 28 Ca 0.37 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.01 1zrj h GLU 28 Cb 0.38 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1zrj h GLU 28 CO -0.27 0.53 0.27 -0.07 -1.16 0.00 0.00 179.01 178.32 1zrj h LEU 29 N 0.82 0.70 -0.32 1.33 3.38 -0.35 -1.74 115.31 119.14 1zrj h LEU 29 Ca 0.25 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1zrj h LEU 29 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1zrj h LEU 29 CO -0.09 0.59 0.11 0.00 0.09 0.00 0.00 178.44 179.15 1zrj h ALA 30 N 1.52 0.41 -0.63 1.53 0.00 -0.61 -1.48 119.26 120.00 1zrj h ALA 30 Ca 0.20 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1zrj h ALA 30 Cb 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1zrj h ALA 30 CO -0.03 0.03 0.14 0.93 0.00 0.00 0.00 179.25 180.32 1zrj h GLU 31 N 0.36 0.99 -0.23 0.00 4.39 -1.08 -0.68 114.58 118.35 1zrj h GLU 31 Ca 0.10 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1zrj h GLU 31 Cb 0.22 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1zrj h GLU 31 CO -0.01 0.89 0.08 -0.09 -1.16 0.00 0.00 179.01 178.73 1zrj h ARG 32 N 0.95 0.34 -0.31 2.33 2.43 -1.13 -0.22 114.38 118.76 1zrj h ARG 32 Ca 0.20 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1zrj h ARG 32 Cb 0.36 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1zrj h ARG 32 CO 0.00 0.41 0.05 1.25 -1.51 0.00 0.00 179.97 180.17 1zrj h LEU 33 N 0.20 0.50 -0.89 3.80 5.85 -1.12 -2.86 115.31 120.79 1zrj h LEU 33 Ca 0.07 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1zrj h LEU 33 Cb 0.20 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1zrj h LEU 33 CO -0.00 0.63 0.54 -0.61 -0.34 0.00 0.00 178.44 178.66 1zrj h GLN 34 N 0.34 1.21 -0.96 1.25 5.75 -1.05 -1.65 115.11 120.01 1zrj h GLN 34 Ca 0.09 -0.11 0.07 0.00 -0.15 0.00 0.00 58.65 58.55 1zrj h GLN 34 Cb 0.35 -0.25 -0.07 0.00 1.07 0.00 0.00 27.48 28.58 1zrj h GLN 34 CO 0.01 0.84 0.61 0.00 -2.65 0.00 0.00 178.83 177.64 1zrj h ALA 35 N 1.29 1.33 -0.20 3.38 0.00 -0.88 0.25 119.26 124.43 1zrj h ALA 35 Ca 0.32 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1zrj h ALA 35 Cb -0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1zrj h ALA 35 CO -0.06 0.38 -0.32 0.00 0.00 0.00 0.00 179.25 179.25 1zrj h ALA 36 N 1.44 0.31 -0.14 0.00 0.00 -1.21 -3.26 119.26 116.41 1zrj h ALA 36 Ca 0.42 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zrj h ALA 36 Cb 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1zrj h ALA 36 CO -0.18 0.34 0.09 -0.07 0.00 0.00 0.00 179.25 179.43 1zrj h LEU 37 N 0.24 0.16 -1.04 0.00 3.38 -0.82 -3.47 115.31 113.77 1zrj h LEU 37 Ca 0.02 -0.02 -0.41 0.00 0.09 0.00 0.00 57.88 57.55 1zrj h LEU 37 Cb 0.90 -0.04 0.09 0.00 0.09 0.00 0.00 40.66 41.70 1zrj h LEU 37 CO 0.07 0.13 -0.72 -1.20 0.09 0.00 0.00 178.44 176.82 1zrj n SER 38 N -4.98 -5.15 0.00 -0.43 7.64 0.03 -4.96 113.62 105.77 1zrj n SER 38 Ca -0.05 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.21 1zrj n SER 38 Cb 0.04 -4.70 0.00 0.00 -1.01 0.00 0.00 64.21 58.54 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 -1.80 0.10 3.77 0.23 0.00 -1.26 -4.84 105.19 101.38 1zrj n GLY 39 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 0.44 4.42 -1.54 1.61 0.04 -1.26 -3.27 135.00 135.44 1zrj s PRO 40 Ca 0.00 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 1zrj s PRO 40 Cb 0.00 -3.07 0.08 0.00 0.04 0.00 0.00 34.50 31.56 1zrj s PRO 40 CO 0.00 -0.07 0.77 0.43 0.04 0.00 0.00 177.00 178.17 1zrj n SER 41 N 0.85 -2.97 -4.40 6.66 7.64 -1.26 -4.86 113.62 115.28 1zrj n SER 41 Ca 0.00 -0.91 -0.37 0.00 1.01 0.00 0.00 58.87 58.60 1zrj n SER 41 Cb 0.43 -3.34 0.06 0.00 -1.01 0.00 0.00 64.21 60.35 1zrj n SER 41 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1zrj n SER 42 N -2.83 -1.85 0.00 6.43 2.88 -1.20 -5.10 113.62 111.94 1zrj n SER 42 Ca -0.06 0.58 0.15 0.00 -1.33 0.00 0.00 58.87 58.22 1zrj n SER 42 Cb 0.56 -1.13 0.87 0.00 -0.75 0.00 0.00 64.21 63.77 1zrj n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42