#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 -0.11 0.22 1.61 1.04 -1.26 -5.14 113.70 110.07 1zrj s SER -5 Ca 0.00 -0.83 -0.28 0.00 0.48 0.00 0.00 55.95 55.31 1zrj s SER -5 Cb 0.00 0.71 -0.16 0.00 0.10 0.00 0.00 66.02 66.67 1zrj s SER -5 CO 0.00 -1.36 0.72 -0.24 0.98 0.00 0.00 173.24 173.35 1zrj n SER -4 N -0.66 -0.26 0.00 7.02 2.88 -1.26 -4.39 113.62 116.95 1zrj n SER -4 Ca -0.04 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1zrj n SER -4 Cb 0.60 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 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 1.72 0.83 3.77 0.46 0.00 -1.26 -4.99 105.19 105.73 1zrj n GLY -3 Ca 0.15 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.62 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 1.63 -1.99 0.07 1.61 2.88 -1.26 -4.90 113.62 111.65 1zrj n SER -2 Ca 0.00 -0.93 -0.21 0.00 -1.33 0.00 0.00 58.87 56.39 1zrj n SER -2 Cb 0.00 -3.56 -0.14 0.00 -0.75 0.00 0.00 64.21 59.76 1zrj n SER -2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1zrj h SER -1 N -1.84 0.67 0.00 -3.46 0.02 -1.95 -3.50 113.55 103.49 1zrj h SER -1 Ca -0.63 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 59.44 1zrj h SER -1 Cb 1.36 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1zrj h SER -1 CO 0.56 1.49 0.00 0.61 -1.14 0.00 0.00 176.83 178.36 1zrj n GLY 0 N 1.51 -1.05 2.86 -3.77 0.00 -1.26 -5.15 105.19 98.33 1zrj n GLY 0 Ca -0.14 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.57 0.69 -0.86 1.61 0.00 -1.26 -5.09 119.30 113.81 1zrj s MET 1 Ca 0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 55.69 55.46 1zrj s MET 1 Cb 0.00 -0.78 0.13 0.00 0.00 0.00 0.00 34.83 34.18 1zrj s MET 1 CO 0.00 -0.12 1.04 -0.51 0.00 0.00 0.00 175.02 175.43 1zrj s ASP 2 N 1.06 6.54 0.41 1.11 1.01 -1.26 -4.85 116.67 120.68 1zrj s ASP 2 Ca -0.09 -1.90 0.16 0.00 0.71 0.00 0.00 52.55 51.42 1zrj s ASP 2 Cb -0.14 -2.38 0.87 0.00 1.01 0.00 0.00 42.92 42.28 1zrj s ASP 2 CO -0.01 -1.08 1.88 1.62 0.21 0.00 0.00 175.17 177.79 1zrj h VAL 3 N 5.78 1.11 -0.02 -1.27 3.04 -1.97 -2.98 116.25 119.93 1zrj h VAL 3 Ca 0.06 -1.09 -0.00 0.00 -1.01 0.00 0.00 66.70 64.66 1zrj h VAL 3 Cb 1.04 1.60 -0.00 0.00 -2.01 0.00 0.00 31.29 31.92 1zrj h VAL 3 CO 1.09 0.30 0.01 0.03 -1.01 0.00 0.00 177.57 177.98 1zrj h ARG 4 N 0.00 0.04 0.00 4.17 3.08 -1.95 -2.75 114.38 116.96 1zrj h ARG 4 Ca -0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1zrj h ARG 4 Cb 0.58 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1zrj h ARG 4 CO 0.04 0.25 -0.02 0.00 -1.07 0.00 0.00 179.97 179.17 1zrj h ARG 5 N -0.18 0.00 -5.93 0.04 -0.00 -1.95 -3.41 114.38 102.95 1zrj h ARG 5 Ca 0.01 0.00 -0.56 0.00 -0.50 0.00 0.00 59.98 58.93 1zrj h ARG 5 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.19 1zrj h ARG 5 CO -0.00 0.02 1.50 -0.51 0.00 0.00 0.00 179.97 180.98 1zrj s LEU 6 N -8.88 3.43 1.01 3.04 1.43 -1.04 -4.94 118.68 112.73 1zrj s LEU 6 Ca -0.05 1.63 -0.15 0.00 -1.03 0.00 0.00 54.13 54.53 1zrj s LEU 6 Cb 0.17 -3.28 0.13 0.00 0.03 0.00 0.00 46.19 43.23 1zrj s LEU 6 CO 0.66 -2.15 0.11 0.29 0.23 0.00 0.00 176.35 175.49 1zrj n LYS 7 N 8.80 -1.91 -0.13 1.70 5.02 -1.26 -4.47 118.16 125.92 1zrj n LYS 7 Ca 0.30 -0.56 -0.02 0.00 -2.02 0.00 0.00 58.31 56.02 1zrj n LYS 7 Cb 0.47 -1.47 0.22 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.43 1.21 -0.51 -0.18 -1.51 -1.95 -2.19 116.25 108.70 1zrj h VAL 8 Ca -0.30 -0.70 -0.10 0.00 -1.23 0.00 0.00 66.70 64.36 1zrj h VAL 8 Cb 0.90 0.59 -0.02 0.00 -2.13 0.00 0.00 31.29 30.63 1zrj h VAL 8 CO 0.20 0.27 -0.09 -0.55 -1.23 0.00 0.00 177.57 176.17 1zrj h ASN 9 N 0.80 0.96 -0.51 4.19 7.08 -1.99 -1.49 115.58 124.61 1zrj h ASN 9 Ca 0.19 -0.35 -0.03 0.00 -3.08 0.00 0.00 56.30 53.03 1zrj h ASN 9 Cb 0.21 -0.26 -0.02 0.00 -2.08 0.00 0.00 38.32 36.16 1zrj h ASN 9 CO -0.01 1.08 0.22 -0.33 -2.08 0.00 0.00 177.43 176.31 1zrj h GLU 10 N 0.83 0.76 -0.26 4.14 4.39 -1.77 -0.76 114.58 121.90 1zrj h GLU 10 Ca 0.13 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1zrj h GLU 10 Cb 0.64 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1zrj h GLU 10 CO 0.04 0.66 0.03 -0.07 -1.16 0.00 0.00 179.01 178.52 1zrj h LEU 11 N 0.69 0.42 -0.64 1.33 3.38 -1.32 -0.70 115.31 118.47 1zrj h LEU 11 Ca 0.17 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1zrj h LEU 11 Cb 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1zrj h LEU 11 CO -0.02 0.58 0.42 0.03 0.09 0.00 0.00 178.44 179.55 1zrj h ARG 12 N 0.24 0.85 -0.30 1.13 3.08 -1.14 -0.30 114.38 117.93 1zrj h ARG 12 Ca 0.08 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1zrj h ARG 12 Cb 0.35 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1zrj h ARG 12 CO 0.01 0.56 0.04 0.93 -1.07 0.00 0.00 179.97 180.44 1zrj h GLU 13 N 0.87 0.50 -0.11 0.04 5.08 -1.03 -2.16 114.58 117.76 1zrj h GLU 13 Ca 0.23 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1zrj h GLU 13 Cb -0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1zrj h GLU 13 CO -0.05 0.61 0.07 0.93 -1.00 0.00 0.00 179.01 179.57 1zrj h GLU 14 N 0.32 0.14 -0.96 2.33 4.39 -0.85 -1.87 114.58 118.08 1zrj h GLU 14 Ca 0.09 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.85 1zrj h GLU 14 Cb 0.36 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 1zrj h GLU 14 CO 0.01 0.10 0.61 -0.07 -1.16 0.00 0.00 179.01 178.49 1zrj h LEU 15 N 0.15 0.97 -0.69 1.33 3.38 -1.01 -1.69 115.31 117.74 1zrj h LEU 15 Ca 0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1zrj h LEU 15 Cb -0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1zrj h LEU 15 CO -0.01 0.61 0.32 1.56 0.09 0.00 0.00 178.44 181.01 1zrj h GLN 16 N 1.10 1.01 -0.83 1.13 4.20 -0.99 0.39 115.11 121.12 1zrj h GLN 16 Ca 0.42 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 1zrj h GLN 16 Cb 0.19 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 1zrj h GLN 16 CO -0.18 0.81 0.42 -0.09 -0.67 0.00 0.00 178.83 179.12 1zrj h ARG 17 N 0.97 1.19 0.00 1.46 2.43 -0.52 -2.57 114.38 117.34 1zrj h ARG 17 Ca 0.24 -0.16 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 1zrj h ARG 17 Cb 0.15 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1zrj h ARG 17 CO -0.03 0.90 -0.83 0.00 -1.51 0.00 0.00 179.97 178.50 1zrj h ARG 18 N 1.18 0.00 0.00 0.20 3.08 -1.04 -3.48 114.38 114.32 1zrj h ARG 18 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1zrj h ARG 18 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1zrj h ARG 18 CO -0.04 0.83 0.00 0.41 -1.07 0.00 0.00 179.97 180.10 1zrj n GLY 19 N 1.03 1.32 3.91 0.04 0.00 0.10 -5.08 105.19 106.51 1zrj n GLY 19 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 4.33 0.46 0.99 1.43 0.59 -4.99 118.68 121.49 1zrj s LEU 20 Ca 0.00 0.27 -0.21 0.00 -1.03 0.00 0.00 54.13 53.16 1zrj s LEU 20 Cb 0.00 -2.85 -0.11 0.00 0.03 0.00 0.00 46.19 43.27 1zrj s LEU 20 CO 0.00 0.19 0.64 -0.67 0.23 0.00 0.00 176.35 176.74 1zrj n ASP 21 N 0.46 -0.48 -0.21 2.29 -0.08 -1.26 -4.19 116.55 113.09 1zrj n ASP 21 Ca -0.07 0.88 0.09 0.00 -1.51 0.00 0.00 54.79 54.19 1zrj n ASP 21 Cb 0.51 -1.18 0.15 0.00 2.34 0.00 0.00 41.12 42.95 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 -1.03 1.92 -2.78 5.18 -2.24 -1.26 -4.90 114.28 109.16 1zrj n THR 22 Ca 0.11 -2.44 -0.26 0.00 -2.27 0.00 0.00 64.05 59.19 1zrj n THR 22 Cb 0.42 -0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.89 3.34 0.02 -0.78 0.52 -1.26 -4.97 118.95 112.92 1zrj s ARG 23 Ca 0.33 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 1zrj s ARG 23 Cb 0.30 -2.44 0.00 0.00 0.52 0.00 0.00 34.95 33.33 1zrj s ARG 23 CO 0.01 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.49 1zrj n GLY 24 N -2.21 -1.68 4.00 -3.53 0.00 -1.26 -4.59 105.19 95.92 1zrj n GLY 24 Ca 0.00 -2.05 -0.22 0.00 0.00 0.00 0.00 46.02 43.75 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 3.03 0.20 0.99 1.43 -1.26 -4.87 118.68 118.20 1zrj s LEU 25 Ca 0.00 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 1zrj s LEU 25 Cb 0.00 -1.94 0.25 0.00 0.03 0.00 0.00 46.19 44.53 1zrj s LEU 25 CO 0.00 -1.70 1.73 0.50 0.23 0.00 0.00 176.35 177.11 1zrj h LYS 26 N -0.33 0.32 -0.73 1.70 3.64 -1.96 -0.27 116.57 118.94 1zrj h LYS 26 Ca -0.35 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1zrj h LYS 26 Cb 1.27 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 1zrj h LYS 26 CO 0.41 0.21 0.47 0.00 -2.27 0.00 0.00 179.45 178.27 1zrj h ALA 27 N 1.42 0.94 -0.53 5.00 0.00 -1.99 0.10 119.26 124.21 1zrj h ALA 27 Ca 0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1zrj h ALA 27 Cb 0.38 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1zrj h ALA 27 CO -0.33 0.30 0.20 0.93 0.00 0.00 0.00 179.25 180.36 1zrj h GLU 28 N 0.95 0.79 -0.48 0.00 4.39 -1.62 -1.21 114.58 117.41 1zrj h GLU 28 Ca 0.28 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.71 1zrj h GLU 28 Cb -0.06 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 1zrj h GLU 28 CO -0.08 0.70 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.23 1zrj h LEU 29 N 0.72 0.94 -0.18 1.33 3.38 -0.68 -1.81 115.31 119.01 1zrj h LEU 29 Ca 0.18 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1zrj h LEU 29 Cb 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1zrj h LEU 29 CO -0.01 1.09 0.07 0.00 0.09 0.00 0.00 178.44 179.68 1zrj h ALA 30 N 0.98 0.24 -0.80 1.53 0.00 -0.58 0.24 119.26 120.87 1zrj h ALA 30 Ca 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1zrj h ALA 30 Cb 0.72 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1zrj h ALA 30 CO 0.06 -0.17 0.32 0.93 0.00 0.00 0.00 179.25 180.39 1zrj h GLU 31 N 0.14 1.20 -0.26 0.00 4.39 -1.18 -0.04 114.58 118.84 1zrj h GLU 31 Ca 0.06 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.43 1zrj h GLU 31 Cb 0.18 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1zrj h GLU 31 CO -0.00 0.97 -0.29 -0.09 -1.16 0.00 0.00 179.01 178.43 1zrj h ARG 32 N 1.17 0.66 -0.31 2.33 2.43 -1.16 -2.57 114.38 116.93 1zrj h ARG 32 Ca 0.27 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1zrj h ARG 32 Cb 0.21 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1zrj h ARG 32 CO -0.02 0.97 0.10 1.25 -1.51 0.00 0.00 179.97 180.76 1zrj h LEU 33 N 0.38 0.44 -1.27 3.80 5.85 -0.32 -2.77 115.31 121.42 1zrj h LEU 33 Ca 0.04 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1zrj h LEU 33 Cb 0.86 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1zrj h LEU 33 CO 0.07 0.52 0.51 -0.61 -0.34 0.00 0.00 178.44 178.58 1zrj h GLN 34 N 0.34 0.93 -0.90 1.25 5.75 -1.02 -1.60 115.11 119.85 1zrj h GLN 34 Ca 0.10 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1zrj h GLN 34 Cb 0.23 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.52 1zrj h GLN 34 CO -0.00 0.62 0.59 0.00 -2.65 0.00 0.00 178.83 177.39 1zrj h ALA 35 N 1.55 1.42 -0.10 3.38 0.00 -1.17 -0.42 119.26 123.91 1zrj h ALA 35 Ca 0.30 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 1zrj h ALA 35 Cb 0.01 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.49 1zrj h ALA 35 CO -0.08 0.49 -0.85 0.00 0.00 0.00 0.00 179.25 178.81 1zrj h ALA 36 N 1.47 0.29 -0.48 0.00 0.00 -1.19 -3.27 119.26 116.08 1zrj h ALA 36 Ca 0.36 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1zrj h ALA 36 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1zrj h ALA 36 CO -0.11 0.70 0.21 -0.07 0.00 0.00 0.00 179.25 179.99 1zrj h LEU 37 N 0.47 0.64 -0.75 0.00 3.38 -0.82 -2.96 115.31 115.27 1zrj h LEU 37 Ca -0.07 -0.15 0.23 0.00 0.09 0.00 0.00 57.88 57.98 1zrj h LEU 37 Cb 1.48 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.93 1zrj h LEU 37 CO 0.17 0.61 0.10 -0.24 0.09 0.00 0.00 178.44 179.17 1zrj n SER 38 N -4.60 -0.01 -4.22 -0.43 2.88 -0.21 -4.53 113.62 102.49 1zrj n SER 38 Ca 0.01 1.27 -0.27 0.00 -1.33 0.00 0.00 58.87 58.55 1zrj n SER 38 Cb 0.13 -0.49 -0.08 0.00 -0.75 0.00 0.00 64.21 63.02 1zrj n SER 38 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1zrj s GLY 39 N -4.17 2.68 -0.72 0.46 0.00 -1.12 -5.07 107.32 99.38 1zrj s GLY 39 Ca -0.09 -1.11 -0.26 0.00 0.00 0.00 0.00 44.72 43.26 1zrj s GLY 39 CO 0.58 -1.89 1.90 2.56 0.00 0.00 0.00 173.10 176.25 1zrj s PRO 40 N -3.73 2.60 -0.44 2.90 0.04 -1.26 -4.88 135.00 130.22 1zrj s PRO 40 Ca 0.21 0.27 -0.26 0.00 0.04 0.00 0.00 61.00 61.25 1zrj s PRO 40 Cb 0.02 -4.65 -0.07 0.00 0.04 0.00 0.00 34.50 29.85 1zrj s PRO 40 CO 0.13 -2.98 2.37 0.45 0.04 0.00 0.00 177.00 177.01 1zrj s SER 41 N 8.09 4.62 0.34 6.66 0.15 -1.26 -4.92 113.70 127.38 1zrj s SER 41 Ca 0.68 1.23 0.06 0.00 0.70 0.00 0.00 55.95 58.62 1zrj s SER 41 Cb -0.10 -2.50 -0.07 0.00 -1.71 0.00 0.00 66.02 61.64 1zrj s SER 41 CO 0.12 -2.72 0.01 -0.44 1.20 0.00 0.00 173.24 171.41 1zrj s SER 42 N 11.49 2.97 0.00 5.45 0.01 -1.26 -5.15 113.70 127.21 1zrj s SER 42 Ca 0.98 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1zrj s SER 42 Cb -0.20 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.82 1zrj s SER 42 CO 0.28 -0.47 0.27 0.61 0.41 0.00 0.00 173.24 174.34