#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgq s TYR 1 N 0.00 0.16 -0.18 4.31 6.14 -1.26 -5.14 117.35 121.38 2pgq s TYR 1 Ca 0.00 0.13 -0.04 0.00 0.64 0.00 0.00 57.07 57.79 2pgq s TYR 1 Cb 0.00 -0.42 -0.02 0.00 0.42 0.00 0.00 41.96 41.94 2pgq s TYR 1 CO 0.00 -0.16 -0.02 1.14 0.64 0.00 0.00 175.55 177.15 2pgq s GLN 1 N 1.57 3.63 0.66 4.97 0.00 -1.26 -5.04 119.66 124.19 2pgq s GLN 1 Ca -0.03 -0.53 -0.11 0.00 -0.00 0.00 0.00 55.36 54.69 2pgq s GLN 1 Cb -0.13 -2.98 0.16 0.00 0.00 0.00 0.00 33.01 30.06 2pgq s GLN 1 CO -0.03 0.12 0.73 0.25 0.00 0.00 0.00 175.29 176.36 2pgq n THR 1 N 3.90 0.00 0.00 3.63 -2.24 -1.26 -5.07 114.28 113.24 2pgq n THR 1 Ca -0.17 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2pgq n THR 1 Cb 0.52 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 2pgq n THR 1 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2pgq n PHE 1 N -3.53 0.00 -3.27 4.78 3.72 -1.26 -5.16 117.46 112.74 2pgq n PHE 1 Ca 0.10 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.10 2pgq n PHE 1 Cb 0.35 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.81 2pgq n PHE 1 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2pgq s ASN 1 N 0.00 6.38 0.54 4.37 3.84 -1.26 -4.97 114.94 123.84 2pgq s ASN 1 Ca 0.00 0.41 0.23 0.00 0.21 0.00 0.00 52.86 53.72 2pgq s ASN 1 Cb 0.00 -2.26 1.43 0.00 -0.55 0.00 0.00 41.25 39.87 2pgq s ASN 1 CO 0.00 -0.28 2.08 -0.65 -2.79 0.00 0.00 177.10 175.46 2pgq h PRO 1 N 8.10 0.00 -0.99 0.43 0.11 -1.94 0.37 132.00 138.08 2pgq h PRO 1 Ca -0.29 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.95 2pgq h PRO 1 Cb 1.14 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.16 2pgq h PRO 1 CO 0.70 0.00 0.61 -0.09 -0.21 0.00 0.00 178.00 179.02 2pgq h ARG 1 N 0.00 0.90 0.00 1.05 2.43 -1.93 -0.23 114.38 116.60 2pgq h ARG 1 Ca 0.12 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 2pgq h ARG 1 Cb 0.53 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 2pgq h ARG 1 CO -0.00 0.60 -1.82 0.25 -1.51 0.00 0.00 179.97 177.49 2pgq n THR 1 N -4.66 0.59 0.13 0.20 -2.24 -0.58 -4.51 114.28 103.21 2pgq n THR 1 Ca 0.19 -0.48 0.02 0.00 -2.27 0.00 0.00 64.05 61.51 2pgq n THR 1 Cb 0.39 -0.36 0.01 0.00 -2.10 0.00 0.00 70.33 68.28 2pgq n THR 1 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2pgq h PHE 1 N 0.00 0.00 0.00 4.78 3.57 -0.30 -3.50 116.94 121.49 2pgq h PHE 1 Ca -0.23 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.27 2pgq h PHE 1 Cb 1.41 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.15 2pgq h PHE 1 CO 0.00 0.55 0.00 0.41 -2.23 0.00 0.00 178.31 177.04 2pgq n GLY 1 N 1.24 -2.01 3.95 2.40 0.00 -0.10 -4.96 105.19 105.70 2pgq n GLY 1 Ca 0.02 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 2pgq n GLY 1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pgq s SER 1 N -4.00 6.31 0.00 1.61 1.04 -1.26 -4.53 113.70 112.87 2pgq s SER 1 Ca 0.00 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2pgq s SER 1 Cb 0.00 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.15 2pgq s SER 1 CO 0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2pgq n GLY 1 N -1.58 1.98 0.15 7.32 0.00 -1.26 -5.02 105.19 106.78 2pgq n GLY 1 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 2pgq n GLY 1 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2pgq h GLU 1 N 0.28 0.20 0.00 1.61 4.81 -1.96 -1.33 114.58 118.19 2pgq h GLU 1 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2pgq h GLU 1 Cb 0.00 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 2pgq h GLU 1 CO 0.00 0.13 -0.13 0.00 -0.73 0.00 0.00 179.01 178.28 2pgq h ALA 1 N 1.23 1.36 -0.13 2.92 0.00 -1.96 -2.60 119.26 120.08 2pgq h ALA 1 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pgq h ALA 1 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2pgq h ALA 1 CO -0.18 0.17 0.00 -3.47 0.00 0.00 0.00 179.25 175.76 2pgq n ASP 1 N -3.77 1.38 -4.79 0.00 2.03 -0.55 -4.98 116.55 105.87 2pgq n ASP 1 Ca -0.02 -1.65 -0.33 0.00 0.52 0.00 0.00 54.79 53.31 2pgq n ASP 1 Cb 0.24 -0.08 0.03 0.00 -0.72 0.00 0.00 41.12 40.58 2pgq n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pgq n GLY 2 N -0.85 0.63 3.25 0.00 0.00 -1.26 -4.98 105.19 101.97 2pgq n GLY 2 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2pgq n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pgq s LEU 3 N 0.00 3.19 -0.12 0.99 1.43 -1.26 -5.04 118.68 117.88 2pgq s LEU 3 Ca 0.00 -0.71 -0.20 0.00 -1.03 0.00 0.00 54.13 52.19 2pgq s LEU 3 Cb 0.00 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 2pgq s LEU 3 CO 0.00 -0.11 0.54 -0.13 0.23 0.00 0.00 176.35 176.88 2pgq s ARG 4 N 1.40 4.35 0.37 1.70 0.52 -1.26 -4.87 118.95 121.15 2pgq s ARG 4 Ca 0.02 0.56 0.10 0.00 -0.52 0.00 0.00 55.73 55.89 2pgq s ARG 4 Cb -0.16 -3.45 0.87 0.00 0.52 0.00 0.00 34.95 32.72 2pgq s ARG 4 CO -0.03 0.10 1.87 -1.35 0.02 0.00 0.00 175.30 175.91 2pgq h PRO 5 N 6.82 0.62 -0.08 3.54 0.11 -1.97 -1.71 132.00 139.33 2pgq h PRO 5 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2pgq h PRO 5 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2pgq h PRO 5 CO 0.76 0.41 0.00 1.28 -0.21 0.00 0.00 178.00 180.23 2pgq n LEU 6 N -4.55 1.68 0.00 2.35 4.77 -1.26 -3.85 117.00 116.14 2pgq n LEU 6 Ca 0.17 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2pgq n LEU 6 Cb 0.50 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2pgq n LEU 6 CO 0.30 0.31 0.00 0.49 -1.33 0.00 0.00 177.39 177.16 2pgq n PHE 7 N 0.32 0.00 -0.29 -1.77 3.72 -0.71 -4.76 117.46 113.97 2pgq n PHE 7 Ca 0.18 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.64 2pgq n PHE 7 Cb 0.36 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.11 2pgq n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2pgq h GLU 8 N 0.00 0.63 0.00 -1.08 3.07 -1.57 -0.31 114.58 115.32 2pgq h GLU 8 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2pgq h GLU 8 Cb 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.77 2pgq h GLU 8 CO 0.00 0.42 0.00 0.87 -1.40 0.00 0.00 179.01 178.90 2pgq h LYS 9 N 0.65 0.00 -0.41 2.33 1.57 -1.56 -2.30 116.57 116.85 2pgq h LYS 9 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2pgq h LYS 9 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2pgq h LYS 9 CO -0.33 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.18 2pgq n LYS 10 N -2.71 2.96 -3.92 3.15 5.02 -0.25 -4.98 118.16 117.43 2pgq n LYS 10 Ca 0.01 -2.34 -0.29 0.00 -2.02 0.00 0.00 58.31 53.68 2pgq n LYS 10 Cb 0.26 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.83 2pgq n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2pgq n SER 11 N 0.54 -3.38 -4.23 4.39 7.64 -0.61 -4.99 113.62 112.99 2pgq n SER 11 Ca 0.16 -0.84 -0.28 0.00 1.01 0.00 0.00 58.87 58.91 2pgq n SER 11 Cb 0.57 -3.68 -0.16 0.00 -1.01 0.00 0.00 64.21 59.94 2pgq n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2pgq s LEU 12 N -7.13 2.02 0.13 -3.43 1.43 -0.46 -5.01 118.68 106.24 2pgq s LEU 12 Ca 0.47 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 53.02 2pgq s LEU 12 Cb -0.24 -1.15 -0.07 0.00 0.03 0.00 0.00 46.19 44.77 2pgq s LEU 12 CO 0.85 0.24 0.52 -1.61 0.23 0.00 0.00 176.35 176.58 2pgq s GLU 13 N -0.35 3.95 0.92 1.70 2.02 -1.26 -3.89 118.70 121.79 2pgq s GLU 13 Ca 0.04 0.45 -0.12 0.00 0.02 0.00 0.00 54.97 55.36 2pgq s GLU 13 Cb -0.10 -2.96 0.14 0.00 0.10 0.00 0.00 34.13 31.31 2pgq s GLU 13 CO 0.01 0.50 1.13 0.16 0.02 0.00 0.00 175.26 177.08 2pgq s ASP 14 N -1.68 3.46 0.54 -0.19 1.47 -1.26 -4.96 116.67 114.05 2pgq s ASP 14 Ca 0.36 0.97 0.33 0.00 1.18 0.00 0.00 52.55 55.39 2pgq s ASP 14 Cb -0.15 -1.56 1.42 0.00 -0.34 0.00 0.00 42.92 42.29 2pgq s ASP 14 CO 0.19 -2.58 2.01 0.11 0.68 0.00 0.00 175.17 175.57 2pgq h LYS 14 N -1.52 0.00 -0.00 2.11 1.57 -2.05 -3.28 116.57 113.40 2pgq h LYS 14 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2pgq h LYS 14 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2pgq h LYS 14 CO 0.62 0.05 -0.00 0.25 -0.57 0.00 0.00 179.45 179.79 2pgq n THR 14 N -3.18 0.00 0.27 -0.16 -2.24 -1.26 -4.72 114.28 102.99 2pgq n THR 14 Ca -0.00 -0.50 0.12 0.00 -2.27 0.00 0.00 64.05 61.40 2pgq n THR 14 Cb 0.29 1.02 0.76 0.00 -2.10 0.00 0.00 70.33 70.31 2pgq n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2pgq h GLU 14 N 0.16 0.00 -0.09 -0.78 4.11 -1.96 -1.71 114.58 114.30 2pgq h GLU 14 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2pgq h GLU 14 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2pgq h GLU 14 CO 0.00 0.07 -0.03 -0.09 0.07 0.00 0.00 179.01 179.03 2pgq h ARG 14 N 0.00 0.13 0.00 1.06 2.43 -1.84 -1.91 114.38 114.25 2pgq h ARG 14 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2pgq h ARG 14 Cb 0.17 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2pgq h ARG 14 CO 0.01 0.18 0.00 -1.91 -1.51 0.00 0.00 179.97 176.74 2pgq n GLU 14 N -4.42 0.00 0.00 0.20 2.13 -0.65 -0.33 120.64 117.57 2pgq n GLU 14 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2pgq n GLU 14 Cb 0.16 -0.96 0.00 0.00 0.27 0.00 0.00 31.44 30.91 2pgq n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2pgq n LEU 14 N 0.33 0.00 -0.18 4.31 4.77 -0.72 -2.02 117.00 123.49 2pgq n LEU 14 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2pgq n LEU 14 Cb 0.00 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.29 2pgq n LEU 14 CO 0.00 0.00 1.09 -0.08 -1.33 0.00 0.00 177.39 177.07 2pgq h GLU 14 N 0.00 0.93 0.00 3.23 4.81 -0.95 -2.10 114.58 120.50 2pgq h GLU 14 Ca 0.00 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2pgq h GLU 14 Cb 0.00 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 2pgq h GLU 14 CO 0.00 0.73 -0.02 0.66 -0.73 0.00 0.00 179.01 179.65 2pgq h SER 14 N 0.92 0.00 0.34 1.04 4.64 -1.64 0.24 113.55 119.09 2pgq h SER 14 Ca 0.23 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 2pgq h SER 14 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2pgq h SER 14 CO -0.03 0.02 -0.24 1.88 -0.87 0.00 0.00 176.83 177.60 2pgq h TYR 14 N 0.00 0.00 0.00 4.77 0.05 -1.68 -3.27 116.97 116.84 2pgq h TYR 14 Ca -0.00 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.57 2pgq h TYR 14 Cb 0.05 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.75 2pgq h TYR 14 CO 0.00 0.24 -2.12 0.44 -1.05 0.00 0.00 178.16 175.67 2pgq n ILE 14 N -4.01 0.78 1.07 -2.88 -5.35 -0.22 -5.17 119.36 103.59 2pgq n ILE 14 Ca -0.02 -0.65 0.12 0.00 -0.27 0.00 0.00 62.75 61.93 2pgq n ILE 14 Cb 0.31 -0.30 0.16 0.00 -1.74 0.00 0.00 39.64 38.07 2pgq n ILE 14 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26