#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsq s GLU 3 N 0.00 0.64 0.09 0.54 2.12 -1.26 -5.08 118.70 115.75 2dsq s GLU 3 Ca 0.00 0.40 0.05 0.00 0.36 0.00 0.00 54.97 55.79 2dsq s GLU 3 Cb 0.00 0.30 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 2dsq s GLU 3 CO 0.00 -0.12 -0.14 0.95 -0.54 0.00 0.00 175.26 175.41 2dsq s THR 4 N -0.30 1.16 0.04 -1.70 -4.23 -1.26 -0.92 115.64 108.43 2dsq s THR 4 Ca -0.05 -1.48 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 2dsq s THR 4 Cb -0.03 -1.25 -0.03 0.00 1.34 0.00 0.00 72.50 72.53 2dsq s THR 4 CO 0.03 -0.33 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.00 2dsq s LEU 5 N -2.05 2.31 0.00 4.79 1.43 -0.15 -4.96 118.68 120.04 2dsq s LEU 5 Ca 0.02 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 2dsq s LEU 5 Cb -0.07 0.21 0.05 0.00 0.03 0.00 0.00 46.19 46.40 2dsq s LEU 5 CO 0.02 -0.48 0.72 0.00 0.23 0.00 0.00 176.35 176.84 2dsq n GLY 7 N -0.55 0.90 0.29 0.00 0.00 -1.26 -2.19 105.19 102.39 2dsq n GLY 7 Ca -0.07 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.29 2dsq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dsq h ALA 8 N -0.79 1.10 -0.95 4.61 0.00 -2.01 -1.47 119.26 119.75 2dsq h ALA 8 Ca 0.00 0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.26 2dsq h ALA 8 Cb 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2dsq h ALA 8 CO 0.00 -0.42 0.60 0.93 0.00 0.00 0.00 179.25 180.36 2dsq h GLU 9 N 0.21 0.81 -0.36 0.00 5.08 -1.97 0.60 114.58 118.94 2dsq h GLU 9 Ca 0.49 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.75 2dsq h GLU 9 Cb 0.93 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2dsq h GLU 9 CO -0.62 0.53 0.00 1.25 -1.00 0.00 0.00 179.01 179.17 2dsq h LEU 10 N 0.83 0.62 -0.41 1.33 5.85 -0.78 -1.80 115.31 120.96 2dsq h LEU 10 Ca 0.48 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2dsq h LEU 10 Cb 0.64 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2dsq h LEU 10 CO -0.25 0.78 0.17 0.58 -0.34 0.00 0.00 178.44 179.38 2dsq h VAL 11 N 0.45 1.19 -0.89 1.05 2.07 -0.64 0.95 116.25 120.43 2dsq h VAL 11 Ca 0.10 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2dsq h VAL 11 Cb 0.46 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2dsq h VAL 11 CO 0.02 0.21 0.57 0.44 0.02 0.00 0.00 177.57 178.83 2dsq h ASP 12 N 0.51 1.03 0.28 0.57 3.32 0.09 0.10 116.42 122.33 2dsq h ASP 12 Ca 0.14 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2dsq h ASP 12 Cb 0.17 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2dsq h ASP 12 CO -0.01 0.76 -0.14 0.00 -1.72 0.00 0.00 179.24 178.13 2dsq h ALA 13 N 1.42 -0.38 -0.48 3.45 0.00 -0.99 -1.87 119.26 120.41 2dsq h ALA 13 Ca 0.32 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2dsq h ALA 13 Cb -0.11 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 2dsq h ALA 13 CO -0.07 -0.52 -0.39 -0.07 0.00 0.00 0.00 179.25 178.20 2dsq h LEU 14 N -0.77 -1.33 -0.32 0.00 3.38 -0.64 -0.67 115.31 114.97 2dsq h LEU 14 Ca -0.04 0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.22 2dsq h LEU 14 Cb 0.50 0.61 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 2dsq h LEU 14 CO 0.06 -0.34 -0.31 -0.61 0.09 0.00 0.00 178.44 177.34 2dsq h GLN 15 N -0.26 -0.27 -0.48 1.13 -0.00 -0.80 -0.64 115.11 113.79 2dsq h GLN 15 Ca 0.17 0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.86 2dsq h GLN 15 Cb 0.57 0.06 -0.03 0.00 0.00 0.00 0.00 27.48 28.08 2dsq h GLN 15 CO -0.61 -0.18 0.32 0.35 0.00 0.00 0.00 178.83 178.70 2dsq h PHE 16 N -0.28 0.54 -0.02 3.99 3.57 -0.50 0.12 116.94 124.36 2dsq h PHE 16 Ca 0.15 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.44 2dsq h PHE 16 Cb 0.52 -0.18 0.02 0.00 2.79 0.00 0.00 35.95 39.10 2dsq h PHE 16 CO -0.48 0.33 -0.87 0.28 -2.23 0.00 0.00 178.31 175.33 2dsq h VAL 17 N 0.57 1.32 0.12 1.41 2.07 -0.32 -3.36 116.25 118.06 2dsq h VAL 17 Ca 0.19 -2.15 -0.29 0.00 0.82 0.00 0.00 66.70 65.27 2dsq h VAL 17 Cb 0.04 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2dsq h VAL 17 CO -0.04 0.66 -1.39 0.00 0.02 0.00 0.00 177.57 176.82 2dsq n GLY 19 N 1.59 -1.91 0.00 0.00 0.00 0.39 -3.81 105.19 101.46 2dsq n GLY 19 Ca -0.12 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2dsq n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dsq n ASP 20 N -1.42 0.00 -0.33 1.61 3.85 -1.26 -1.85 116.55 117.15 2dsq n ASP 20 Ca 0.00 0.46 0.19 0.00 -0.71 0.00 0.00 54.79 54.74 2dsq n ASP 20 Cb 0.13 -0.46 0.38 0.00 -1.35 0.00 0.00 41.12 39.82 2dsq n ASP 20 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 2dsq h ARG 21 N 0.00 0.07 0.00 0.11 2.43 -1.96 -3.48 114.38 111.55 2dsq h ARG 21 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2dsq h ARG 21 Cb 0.02 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2dsq h ARG 21 CO 0.00 0.04 0.00 0.41 -1.51 0.00 0.00 179.97 178.91 2dsq n GLY 22 N -1.39 2.32 3.12 2.80 0.00 -0.77 -4.44 105.19 106.82 2dsq n GLY 22 Ca 0.27 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.25 2dsq n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dsq s PHE 23 N -2.70 0.39 0.04 1.61 -0.12 -1.26 -0.24 117.98 115.70 2dsq s PHE 23 Ca 0.00 -0.87 0.08 0.00 -0.05 0.00 0.00 56.93 56.09 2dsq s PHE 23 Cb 0.00 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.09 2dsq s PHE 23 CO 0.00 -0.41 -0.24 0.71 -0.05 0.00 0.00 175.22 175.23 2dsq s TYR 24 N -3.70 2.40 0.10 3.49 1.51 -0.52 -4.88 117.35 115.75 2dsq s TYR 24 Ca 0.05 -0.36 0.20 0.00 -1.01 0.00 0.00 57.07 55.94 2dsq s TYR 24 Cb 0.06 -1.42 0.64 0.00 -0.11 0.00 0.00 41.96 41.13 2dsq s TYR 24 CO -0.09 0.17 1.71 0.74 -1.11 0.00 0.00 175.55 176.96 2dsq h PHE 25 N 4.72 0.00 -3.97 2.71 -1.00 -1.99 -3.45 116.94 113.97 2dsq h PHE 25 Ca -0.47 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 59.97 2dsq h PHE 25 Cb 1.15 0.00 -0.25 0.00 3.61 0.00 0.00 35.95 40.46 2dsq h PHE 25 CO 0.50 0.35 -0.76 -0.80 -1.61 0.00 0.00 178.31 175.99 2dsq s ASN 26 N -6.37 0.97 0.05 2.17 -0.87 -1.26 -1.91 114.94 107.71 2dsq s ASN 26 Ca 0.01 -0.34 0.04 0.00 -1.57 0.00 0.00 52.86 51.00 2dsq s ASN 26 Cb 0.10 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.25 41.26 2dsq s ASN 26 CO 0.68 -0.03 -0.11 -1.59 -2.57 0.00 0.00 177.10 173.48 2dsq s LYS 27 N -0.87 0.71 0.05 -0.60 -2.85 -1.20 -5.04 119.74 109.94 2dsq s LYS 27 Ca -0.02 -0.76 -0.29 0.00 -1.00 0.00 0.00 55.97 53.90 2dsq s LYS 27 Cb -0.06 -0.64 -0.05 0.00 -2.06 0.00 0.00 37.83 35.02 2dsq s LYS 27 CO 0.00 0.14 0.91 -2.14 0.10 0.00 0.00 175.35 174.37 2dsq s PRO 28 N -1.36 4.60 0.00 1.78 0.02 -1.26 -4.20 135.00 134.57 2dsq s PRO 28 Ca -0.03 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.31 2dsq s PRO 28 Cb -0.09 -3.41 0.00 0.00 0.02 0.00 0.00 34.50 31.02 2dsq s PRO 28 CO 0.01 0.12 0.00 0.25 -0.33 0.00 0.00 177.00 177.05 2dsq n THR 29 N 3.25 0.00 0.00 0.99 -2.24 -1.26 -5.24 114.28 109.79 2dsq n THR 29 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2dsq n THR 29 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2dsq n THR 29 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2dsq n THR 41 N -0.01 0.00 -4.25 4.28 -2.24 -1.26 -5.28 114.28 105.52 2dsq n THR 41 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 2dsq n THR 41 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 2dsq n THR 41 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2dsq s GLY 42 N 0.00 0.47 0.05 3.38 0.00 -1.26 -3.22 107.32 106.73 2dsq s GLY 42 Ca 0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 44.72 44.01 2dsq s GLY 42 CO 0.00 -0.47 1.43 1.19 0.00 0.00 0.00 173.10 175.25 2dsq h ILE 43 N 4.79 1.29 -3.25 0.90 6.09 -1.68 -3.20 117.51 122.44 2dsq h ILE 43 Ca -0.32 -0.98 -0.50 0.00 -1.37 0.00 0.00 64.86 61.69 2dsq h ILE 43 Cb 1.19 1.66 0.22 0.00 0.47 0.00 0.00 36.82 40.35 2dsq h ILE 43 CO 0.47 0.29 -0.47 0.52 -3.07 0.00 0.00 178.15 175.88 2dsq n VAL 44 N -4.71 0.00 0.00 2.19 0.31 -1.26 -0.57 118.33 114.28 2dsq n VAL 44 Ca -0.06 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2dsq n VAL 44 Cb 0.25 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 2dsq n VAL 44 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2dsq n ASP 45 N -2.53 0.00 0.02 4.52 5.75 -1.26 -4.17 116.55 118.87 2dsq n ASP 45 Ca 0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.71 2dsq n ASP 45 Cb 0.56 -0.01 -0.09 0.00 -1.03 0.00 0.00 41.12 40.54 2dsq n ASP 45 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2dsq h GLU 46 N 0.00 -0.10 -0.01 0.11 5.08 -1.51 -2.91 114.58 115.24 2dsq h GLU 46 Ca 0.00 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2dsq h GLU 46 Cb 0.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2dsq h GLU 46 CO 0.00 0.41 -0.67 0.00 -1.00 0.00 0.00 179.01 177.75 2dsq n PHE 49 N -4.41 0.00 0.00 0.00 3.01 -1.10 -4.68 117.46 110.29 2dsq n PHE 49 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 2dsq n PHE 49 Cb 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 2dsq n PHE 49 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2dsq n ARG 50 N 0.34 0.00 -3.64 -1.08 0.00 -1.04 -5.04 116.66 106.21 2dsq n ARG 50 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.75 2dsq n ARG 50 Cb 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.59 2dsq n ARG 50 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2dsq s SER 51 N 1.00 -0.59 -0.04 6.15 1.04 0.42 -4.78 113.70 116.90 2dsq s SER 51 Ca 0.00 0.95 0.01 0.00 0.48 0.00 0.00 55.95 57.38 2dsq s SER 51 Cb 0.00 0.93 0.02 0.00 0.10 0.00 0.00 66.02 67.08 2dsq s SER 51 CO 0.00 -0.35 -0.02 0.00 0.98 0.00 0.00 173.24 173.85 2dsq s ASP 53 N 1.03 -0.03 0.24 0.00 1.47 -1.26 -4.64 116.67 113.48 2dsq s ASP 53 Ca -0.09 -0.92 -0.05 0.00 1.18 0.00 0.00 52.55 52.67 2dsq s ASP 53 Cb -0.14 0.50 0.36 0.00 -0.34 0.00 0.00 42.92 43.31 2dsq s ASP 53 CO -0.01 -1.00 1.84 -0.07 0.68 0.00 0.00 175.17 176.60 2dsq h LEU 54 N 2.40 0.79 0.14 2.11 3.38 -2.01 -0.44 115.31 121.69 2dsq h LEU 54 Ca -0.30 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2dsq h LEU 54 Cb 1.24 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2dsq h LEU 54 CO 0.42 0.49 -0.07 0.08 0.09 0.00 0.00 178.44 179.45 2dsq h ARG 55 N 0.92 -0.19 -0.54 1.13 0.11 -2.00 -2.52 114.38 111.29 2dsq h ARG 55 Ca 0.39 0.01 0.05 0.00 0.10 0.00 0.00 59.98 60.53 2dsq h ARG 55 Cb 0.24 0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.34 2dsq h ARG 55 CO -0.20 0.07 0.36 0.00 0.10 0.00 0.00 179.97 180.30 2dsq h ARG 56 N -0.42 0.51 -0.42 0.08 2.47 -1.91 -2.28 114.38 112.42 2dsq h ARG 56 Ca -0.02 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.61 2dsq h ARG 56 Cb 0.34 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 2dsq h ARG 56 CO 0.03 0.34 0.01 -0.07 0.56 0.00 0.00 179.97 180.84 2dsq h LEU 57 N 0.53 0.71 -1.39 3.04 3.38 -0.97 -3.19 115.31 117.42 2dsq h LEU 57 Ca 0.23 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2dsq h LEU 57 Cb 0.25 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2dsq h LEU 57 CO -0.06 0.84 -0.13 -0.08 0.09 0.00 0.00 178.44 179.09 2dsq h GLU 58 N 0.56 0.00 0.00 1.13 4.22 -0.96 -1.98 114.58 117.56 2dsq h GLU 58 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.56 2dsq h GLU 58 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2dsq h GLU 58 CO 0.02 0.13 0.00 -1.33 -2.18 0.00 0.00 179.01 175.65 2dsq n MET 59 N -3.32 0.08 -0.22 1.92 2.81 -1.12 -2.70 117.12 114.57 2dsq n MET 59 Ca -0.00 0.38 0.06 0.00 -1.81 0.00 0.00 57.70 56.33 2dsq n MET 59 Cb 0.35 -1.67 0.16 0.00 -0.71 0.00 0.00 33.22 31.36 2dsq n MET 59 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2dsq n TYR 60 N -1.82 0.52 -2.29 2.03 4.02 -0.74 -4.97 117.16 113.91 2dsq n TYR 60 Ca 0.02 -0.60 -0.31 0.00 -0.01 0.00 0.00 57.90 57.01 2dsq n TYR 60 Cb 0.15 -0.10 -0.01 0.00 -0.02 0.00 0.00 39.34 39.37 2dsq n TYR 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dsq s ALA 62 N -2.82 3.91 -2.00 0.00 0.00 0.67 -4.83 121.76 116.69 2dsq s ALA 62 Ca 0.55 1.56 0.12 0.00 0.00 0.00 0.00 51.96 54.19 2dsq s ALA 62 Cb -0.10 -3.68 0.72 0.00 0.00 0.00 0.00 23.12 20.05 2dsq s ALA 62 CO 0.42 -0.91 1.16 -2.30 0.00 0.00 0.00 175.76 174.13