#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 6.06 0.71 1.61 0.01 -1.26 -4.97 113.70 115.86 1zrj s SER -5 Ca 0.00 -1.71 -0.11 0.00 1.31 0.00 0.00 55.95 55.44 1zrj s SER -5 Cb 0.00 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.67 1zrj s SER -5 CO 0.00 -1.96 1.07 -0.55 0.41 0.00 0.00 173.24 172.21 1zrj s SER -4 N 5.58 5.19 0.28 2.44 0.15 -1.26 -5.08 113.70 121.01 1zrj s SER -4 Ca 0.58 1.68 0.07 0.00 0.70 0.00 0.00 55.95 58.97 1zrj s SER -4 Cb 0.00 -2.50 -0.06 0.00 -1.71 0.00 0.00 66.02 61.75 1zrj s SER -4 CO 0.03 -1.57 -0.06 -0.83 1.20 0.00 0.00 173.24 172.00 1zrj s GLY -3 N -3.65 1.85 0.47 9.45 0.00 -1.26 -5.15 107.32 109.04 1zrj s GLY -3 Ca 0.59 -1.91 -0.03 0.00 0.00 0.00 0.00 44.72 43.37 1zrj s GLY -3 CO 0.54 -1.86 0.74 -0.56 0.00 0.00 0.00 173.10 171.97 1zrj s SER -2 N -3.46 6.03 -0.09 1.64 0.01 -1.26 -5.09 113.70 111.49 1zrj s SER -2 Ca 0.30 0.65 -0.03 0.00 1.31 0.00 0.00 55.95 58.18 1zrj s SER -2 Cb 0.03 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 64.29 1zrj s SER -2 CO 0.12 -0.65 0.02 -0.44 0.41 0.00 0.00 173.24 172.70 1zrj s SER -1 N -4.16 5.36 0.11 2.44 0.01 -1.26 -4.91 113.70 111.29 1zrj s SER -1 Ca 0.48 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1zrj s SER -1 Cb -0.10 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.57 1zrj s SER -1 CO 0.42 0.37 0.00 0.61 0.41 0.00 0.00 173.24 175.05 1zrj n GLY 0 N 2.18 -5.30 0.00 3.44 0.00 -1.26 -5.00 105.19 99.26 1zrj n GLY 0 Ca -0.19 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.63 4.72 -1.38 1.61 1.56 -1.26 -5.03 117.12 118.97 1zrj n MET 1 Ca 0.00 0.00 -0.51 0.00 -0.27 0.00 0.00 57.70 56.92 1zrj n MET 1 Cb 0.00 -0.50 -0.11 0.00 2.15 0.00 0.00 33.22 34.77 1zrj n MET 1 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1zrj n ASP 2 N -0.87 1.09 -0.34 6.12 9.92 -1.26 -4.76 116.55 126.44 1zrj n ASP 2 Ca 0.00 0.41 0.16 0.00 -0.53 0.00 0.00 54.79 54.83 1zrj n ASP 2 Cb 0.00 -1.04 0.37 0.00 -0.64 0.00 0.00 41.12 39.81 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 7.31 0.62 -0.91 2.53 3.04 -1.94 0.25 116.25 127.15 1zrj h VAL 3 Ca -0.14 -0.22 0.22 0.00 -1.01 0.00 0.00 66.70 65.55 1zrj h VAL 3 Cb 1.36 -0.08 -0.06 0.00 -2.01 0.00 0.00 31.29 30.50 1zrj h VAL 3 CO 1.15 0.12 0.61 0.08 -1.01 0.00 0.00 177.57 178.52 1zrj h ARG 4 N 0.64 0.29 0.00 4.17 0.11 -1.95 0.37 114.38 118.02 1zrj h ARG 4 Ca 0.60 -0.02 -0.16 0.00 0.10 0.00 0.00 59.98 60.50 1zrj h ARG 4 Cb 1.10 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 32.09 1zrj h ARG 4 CO -0.40 0.19 -0.78 0.00 0.10 0.00 0.00 179.97 179.07 1zrj h ARG 5 N 0.30 0.00 -6.30 0.08 2.47 -0.86 -3.43 114.38 106.63 1zrj h ARG 5 Ca 0.47 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.61 1zrj h ARG 5 Cb 1.34 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.63 1zrj h ARG 5 CO -0.14 0.78 1.25 -0.51 0.56 0.00 0.00 179.97 181.91 1zrj s LEU 6 N -6.91 3.52 1.21 3.04 1.43 0.13 -4.98 118.68 116.12 1zrj s LEU 6 Ca 0.01 1.24 -0.17 0.00 -1.03 0.00 0.00 54.13 54.17 1zrj s LEU 6 Cb 0.10 -3.51 0.24 0.00 0.03 0.00 0.00 46.19 43.05 1zrj s LEU 6 CO 0.78 -1.67 0.55 0.29 0.23 0.00 0.00 176.35 176.53 1zrj n LYS 7 N 8.38 -2.75 -0.34 1.70 5.02 -1.26 -4.47 118.16 124.44 1zrj n LYS 7 Ca 0.22 -0.80 0.03 0.00 -2.02 0.00 0.00 58.31 55.75 1zrj n LYS 7 Cb 0.47 -1.86 0.18 0.00 -0.02 0.00 0.00 35.03 33.80 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 -2.73 1.01 -0.41 -0.18 -1.51 -1.96 -0.88 116.25 109.60 1zrj h VAL 8 Ca -0.50 -0.36 -0.06 0.00 -1.23 0.00 0.00 66.70 64.55 1zrj h VAL 8 Cb 1.26 -0.11 -0.02 0.00 -2.13 0.00 0.00 31.29 30.29 1zrj h VAL 8 CO 0.36 0.19 -0.01 0.78 -1.23 0.00 0.00 177.57 177.66 1zrj h ASN 9 N 1.04 0.64 -0.29 4.19 2.35 -2.00 -2.34 115.58 119.17 1zrj h ASN 9 Ca 0.43 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 1zrj h ASN 9 Cb 0.27 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1zrj h ASN 9 CO -0.20 0.72 -0.17 -0.33 -1.65 0.00 0.00 177.43 175.80 1zrj h GLU 10 N 0.63 0.62 -0.61 0.81 4.39 -1.51 -1.93 114.58 116.99 1zrj h GLU 10 Ca 0.13 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 59.55 1zrj h GLU 10 Cb 0.41 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 1zrj h GLU 10 CO 0.02 0.87 0.39 -0.07 -1.16 0.00 0.00 179.01 179.06 1zrj h LEU 11 N 0.37 0.67 -0.58 1.33 3.38 -1.04 0.14 115.31 119.58 1zrj h LEU 11 Ca 0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1zrj h LEU 11 Cb 0.70 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1zrj h LEU 11 CO 0.05 0.48 0.08 0.03 0.09 0.00 0.00 178.44 179.17 1zrj h ARG 12 N 0.80 0.98 -0.27 1.13 3.08 -1.39 0.18 114.38 118.88 1zrj h ARG 12 Ca 0.23 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1zrj h ARG 12 Cb -0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1zrj h ARG 12 CO -0.06 0.94 -0.01 0.93 -1.07 0.00 0.00 179.97 180.70 1zrj h GLU 13 N 0.88 0.49 -0.31 0.04 4.39 -0.93 -0.85 114.58 118.28 1zrj h GLU 13 Ca 0.17 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1zrj h GLU 13 Cb 0.45 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1zrj h GLU 13 CO 0.02 0.65 -0.11 0.93 -1.16 0.00 0.00 179.01 179.33 1zrj h GLU 14 N 0.27 0.63 -0.51 2.33 5.08 -0.65 -2.76 114.58 118.96 1zrj h GLU 14 Ca 0.08 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1zrj h GLU 14 Cb 0.44 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1zrj h GLU 14 CO 0.02 0.83 0.19 -0.07 -1.00 0.00 0.00 179.01 178.98 1zrj h LEU 15 N 0.40 0.68 -0.81 1.33 3.38 -0.61 -2.37 115.31 117.31 1zrj h LEU 15 Ca 0.07 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1zrj h LEU 15 Cb 0.62 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1zrj h LEU 15 CO 0.04 0.63 0.18 -0.61 0.09 0.00 0.00 178.44 178.77 1zrj h GLN 16 N 0.74 1.08 0.00 1.13 4.15 -1.02 0.10 115.11 121.28 1zrj h GLN 16 Ca 0.18 -0.24 -0.08 0.00 0.77 0.00 0.00 58.65 59.27 1zrj h GLN 16 Cb 0.17 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1zrj h GLN 16 CO -0.01 0.94 -0.40 0.00 -1.93 0.00 0.00 178.83 177.42 1zrj h ARG 17 N 1.03 0.00 -0.58 1.69 3.08 -1.15 -2.28 114.38 116.17 1zrj h ARG 17 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1zrj h ARG 17 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1zrj h ARG 17 CO -0.00 0.40 0.00 0.54 -1.07 0.00 0.00 179.97 179.84 1zrj n ARG 18 N -3.99 2.41 -1.93 0.04 1.74 -0.93 -4.88 116.66 109.13 1zrj n ARG 18 Ca -0.02 -1.46 -0.17 0.00 -0.77 0.00 0.00 57.85 55.43 1zrj n ARG 18 Cb 0.44 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 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 0.71 0.58 3.89 -0.13 0.00 -0.86 -4.95 105.19 104.43 1zrj n GLY 19 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.98 4.29 0.44 0.99 1.43 0.31 -5.02 118.68 116.14 1zrj s LEU 20 Ca 0.00 0.63 -0.25 0.00 -1.03 0.00 0.00 54.13 53.48 1zrj s LEU 20 Cb 0.00 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.93 1zrj s LEU 20 CO 0.00 0.09 1.31 -0.67 0.23 0.00 0.00 176.35 177.31 1zrj n ASP 21 N 0.33 2.70 -1.69 2.29 2.03 -1.26 -4.22 116.55 116.73 1zrj n ASP 21 Ca -0.04 1.09 -0.14 0.00 0.52 0.00 0.00 54.79 56.22 1zrj n ASP 21 Cb 0.52 -1.53 0.19 0.00 -0.72 0.00 0.00 41.12 39.58 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 -0.30 2.88 -4.05 5.18 -2.24 -1.26 -4.91 114.28 109.57 1zrj n THR 22 Ca 0.07 -2.35 -0.24 0.00 -2.27 0.00 0.00 64.05 59.26 1zrj n THR 22 Cb 0.41 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 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 -3.28 3.11 0.00 -0.78 0.52 -1.26 -5.03 118.95 112.22 1zrj s ARG 23 Ca 0.51 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 1zrj s ARG 23 Cb 0.44 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1zrj s ARG 23 CO 0.05 0.45 0.00 0.41 0.02 0.00 0.00 175.30 176.23 1zrj n GLY 24 N -0.91 2.54 3.41 -3.53 0.00 -1.26 -4.63 105.19 100.82 1zrj n GLY 24 Ca -0.08 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.92 -0.29 0.99 4.77 -1.26 -4.53 117.00 114.75 1zrj n LEU 25 Ca 0.00 -0.25 0.05 0.00 -0.03 0.00 0.00 56.01 55.78 1zrj n LEU 25 Cb 0.00 -1.19 0.20 0.00 -2.33 0.00 0.00 43.42 40.10 1zrj n LEU 25 CO 0.00 -3.44 1.11 0.50 -1.33 0.00 0.00 177.39 174.23 1zrj h LYS 26 N -2.75 0.65 -0.74 3.23 3.64 -1.99 -0.61 116.57 118.00 1zrj h LYS 26 Ca -0.61 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.69 1zrj h LYS 26 Cb 1.34 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1zrj h LYS 26 CO 0.47 0.43 0.29 0.00 -2.27 0.00 0.00 179.45 178.38 1zrj h ALA 27 N 1.51 0.96 -0.62 5.00 0.00 -2.00 -2.04 119.26 122.07 1zrj h ALA 27 Ca 0.43 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1zrj h ALA 27 Cb 0.54 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1zrj h ALA 27 CO -0.32 0.58 0.22 0.93 0.00 0.00 0.00 179.25 180.66 1zrj h GLU 28 N 1.06 0.94 -0.41 0.00 4.39 -1.47 -2.49 114.58 116.61 1zrj h GLU 28 Ca 0.25 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 1zrj h GLU 28 Cb 0.21 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1zrj h GLU 28 CO -0.02 0.81 0.03 -0.07 -1.16 0.00 0.00 179.01 178.61 1zrj h LEU 29 N 0.87 0.59 -0.31 1.33 3.38 -0.95 -1.36 115.31 118.86 1zrj h LEU 29 Ca 0.20 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1zrj h LEU 29 Cb 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1zrj h LEU 29 CO -0.01 0.64 0.10 0.00 0.09 0.00 0.00 178.44 179.25 1zrj h ALA 30 N 1.44 0.40 -0.54 1.53 0.00 -1.00 -2.18 119.26 118.91 1zrj h ALA 30 Ca 0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1zrj h ALA 30 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1zrj h ALA 30 CO 0.01 0.04 -0.09 0.93 0.00 0.00 0.00 179.25 180.14 1zrj h GLU 31 N 0.34 1.02 0.17 0.00 4.39 -1.23 -1.08 114.58 118.19 1zrj h GLU 31 Ca 0.10 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 59.44 1zrj h GLU 31 Cb 0.24 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1zrj h GLU 31 CO -0.00 1.05 -0.22 -0.09 -1.16 0.00 0.00 179.01 178.60 1zrj h ARG 32 N 0.89 -0.42 -0.66 2.33 2.43 -1.13 0.17 114.38 117.99 1zrj h ARG 32 Ca 0.14 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1zrj h ARG 32 Cb 0.65 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 1zrj h ARG 32 CO 0.05 -0.28 0.15 1.25 -1.51 0.00 0.00 179.97 179.63 1zrj h LEU 33 N -0.44 1.01 -0.49 3.80 5.85 -1.38 -2.74 115.31 120.92 1zrj h LEU 33 Ca 0.01 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1zrj h LEU 33 Cb 0.43 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1zrj h LEU 33 CO -0.08 0.98 0.33 -0.61 -0.34 0.00 0.00 178.44 178.72 1zrj h GLN 34 N 0.99 0.65 -0.77 1.25 -0.00 -0.87 -0.66 115.11 115.70 1zrj h GLN 34 Ca 0.21 -0.04 0.03 0.00 -0.00 0.00 0.00 58.65 58.85 1zrj h GLN 34 Cb 0.37 -0.15 -0.04 0.00 0.00 0.00 0.00 27.48 27.66 1zrj h GLN 34 CO 0.00 0.43 0.51 0.00 0.00 0.00 0.00 178.83 179.77 1zrj h ALA 35 N 1.18 1.53 -0.03 3.38 0.00 -0.50 -1.52 119.26 123.31 1zrj h ALA 35 Ca 0.18 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1zrj h ALA 35 Cb -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1zrj h ALA 35 CO -0.04 0.40 -0.70 0.00 0.00 0.00 0.00 179.25 178.90 1zrj h ALA 36 N 1.55 0.77 -0.34 0.00 0.00 -1.12 -3.03 119.26 117.09 1zrj h ALA 36 Ca 0.30 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1zrj h ALA 36 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1zrj h ALA 36 CO -0.08 0.82 -0.06 -0.07 0.00 0.00 0.00 179.25 179.86 1zrj h LEU 37 N 0.10 0.65 -1.27 0.00 3.38 -0.18 -2.98 115.31 115.00 1zrj h LEU 37 Ca -0.02 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1zrj h LEU 37 Cb 1.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1zrj h LEU 37 CO 0.10 0.84 0.12 0.28 0.09 0.00 0.00 178.44 179.88 1zrj h SER 38 N 0.44 0.57 -0.16 -0.43 0.02 -1.35 -3.48 113.55 109.16 1zrj h SER 38 Ca 0.09 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1zrj h SER 38 Cb 0.55 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1zrj h SER 38 CO 0.03 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 1zrj n GLY 39 N -1.05 1.11 0.12 -3.77 0.00 -1.13 -5.05 105.19 95.43 1zrj n GLY 39 Ca 0.03 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1zrj n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zrj h PRO 40 N 0.00 0.29 -6.12 1.61 0.13 -1.83 -3.36 132.00 122.72 1zrj h PRO 40 Ca 0.00 -0.15 -0.77 0.00 -0.87 0.00 0.00 66.00 64.21 1zrj h PRO 40 Cb 0.00 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1zrj h PRO 40 CO 0.00 0.69 0.78 0.45 -0.23 0.00 0.00 178.00 179.69 1zrj n SER 41 N -4.61 1.97 -3.21 1.44 2.88 -1.26 -4.82 113.62 106.00 1zrj n SER 41 Ca -0.07 1.11 -0.20 0.00 -1.33 0.00 0.00 58.87 58.38 1zrj n SER 41 Cb 0.34 -1.08 0.16 0.00 -0.75 0.00 0.00 64.21 62.88 1zrj n SER 41 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1zrj n SER 42 N 4.67 -1.45 -0.47 -3.46 3.41 -1.26 -4.06 113.62 111.00 1zrj n SER 42 Ca 0.26 -1.00 0.06 0.00 -0.26 0.00 0.00 58.87 57.93 1zrj n SER 42 Cb 0.09 -0.67 0.05 0.00 -0.26 0.00 0.00 64.21 63.42 1zrj n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49