#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnq n SER -5 N 0.00 1.87 -3.72 1.61 2.88 -1.26 -5.01 113.62 109.99 2dnq n SER -5 Ca 0.00 0.47 -0.12 0.00 -1.33 0.00 0.00 58.87 57.90 2dnq n SER -5 Cb 0.00 -0.85 -0.12 0.00 -0.75 0.00 0.00 64.21 62.49 2dnq n SER -5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dnq s SER -4 N -6.26 -0.35 -0.66 -3.46 0.01 -1.26 -5.11 113.70 96.61 2dnq s SER -4 Ca -0.25 0.66 -0.11 0.00 1.31 0.00 0.00 55.95 57.56 2dnq s SER -4 Cb 0.05 0.56 0.17 0.00 0.21 0.00 0.00 66.02 67.01 2dnq s SER -4 CO 0.39 -0.16 0.56 -0.83 0.41 0.00 0.00 173.24 173.60 2dnq s GLY -3 N 1.11 2.39 -0.67 3.44 0.00 -1.26 -5.02 107.32 107.31 2dnq s GLY -3 Ca -0.08 -3.00 -0.26 0.00 0.00 0.00 0.00 44.72 41.38 2dnq s GLY -3 CO -0.08 1.18 2.02 -0.45 0.00 0.00 0.00 173.10 175.76 2dnq s SER -2 N 2.21 4.99 -0.39 1.64 0.15 -1.26 -4.93 113.70 116.12 2dnq s SER -2 Ca 0.12 0.21 -0.09 0.00 0.70 0.00 0.00 55.95 56.89 2dnq s SER -2 Cb -0.19 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.64 2dnq s SER -2 CO -0.04 -2.66 0.21 -0.94 1.20 0.00 0.00 173.24 171.00 2dnq s SER -1 N 9.00 5.60 0.00 5.45 1.04 -1.26 -4.93 113.70 128.60 2dnq s SER -1 Ca 0.75 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2dnq s SER -1 Cb -0.12 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.03 2dnq s SER -1 CO 0.16 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2dnq n GLY 0 N 4.92 1.20 3.88 7.32 0.00 -1.26 -5.16 105.19 116.10 2dnq n GLY 0 Ca -0.11 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2dnq n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dnq s MET 1 N 1.68 2.64 -0.07 1.61 0.00 -1.26 -4.39 119.30 119.52 2dnq s MET 1 Ca 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 55.69 56.10 2dnq s MET 1 Cb 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 34.83 32.85 2dnq s MET 1 CO 0.00 -1.18 -0.03 0.08 0.00 0.00 0.00 175.02 173.89 2dnq s VAL 2 N -3.38 0.56 0.62 5.16 1.01 -1.12 -4.94 120.40 118.31 2dnq s VAL 2 Ca 0.59 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 2dnq s VAL 2 Cb -0.11 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2dnq s VAL 2 CO 0.51 0.27 1.04 -0.75 0.00 0.00 0.00 175.10 176.18 2dnq s LYS 3 N 1.51 3.32 -0.04 2.72 2.20 -1.26 -1.27 119.74 126.92 2dnq s LYS 3 Ca -0.01 1.02 0.01 0.00 -0.36 0.00 0.00 55.97 56.62 2dnq s LYS 3 Cb -0.13 -2.04 0.02 0.00 -1.51 0.00 0.00 37.83 34.17 2dnq s LYS 3 CO -0.04 -0.79 -0.02 -0.51 -0.36 0.00 0.00 175.35 173.63 2dnq s LEU 4 N -4.88 1.20 -0.32 5.43 1.43 0.24 -3.53 118.68 118.26 2dnq s LEU 4 Ca 0.60 -0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.45 2dnq s LEU 4 Cb -0.14 -0.37 -0.02 0.00 0.03 0.00 0.00 46.19 45.69 2dnq s LEU 4 CO 0.44 -0.08 0.39 0.12 0.23 0.00 0.00 176.35 177.45 2dnq s PHE 5 N 1.05 3.22 -0.19 0.29 5.36 -0.39 -1.83 117.98 125.49 2dnq s PHE 5 Ca -0.09 0.16 0.01 0.00 -0.96 0.00 0.00 56.93 56.05 2dnq s PHE 5 Cb -0.14 -2.67 0.02 0.00 -0.34 0.00 0.00 43.02 39.89 2dnq s PHE 5 CO -0.01 -0.37 -0.18 0.42 -1.46 0.00 0.00 175.22 173.61 2dnq s ILE 6 N 2.09 2.17 0.53 3.12 1.01 -0.42 -1.67 121.20 128.03 2dnq s ILE 6 Ca 0.14 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.89 2dnq s ILE 6 Cb -0.16 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.39 2dnq s ILE 6 CO 0.11 0.51 0.16 -0.83 0.00 0.00 0.00 174.94 174.89 2dnq s GLY 7 N 1.30 2.80 -1.27 6.18 0.00 -0.73 -0.04 107.32 115.57 2dnq s GLY 7 Ca 0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 44.72 44.11 2dnq s GLY 7 CO -0.12 -2.11 0.76 -2.01 0.00 0.00 0.00 173.10 169.62 2dnq n ASN 8 N -1.47 -1.81 -4.88 1.64 4.05 -1.19 -2.39 115.26 109.21 2dnq n ASN 8 Ca -0.13 -0.80 -0.34 0.00 0.45 0.00 0.00 54.58 53.76 2dnq n ASN 8 Cb 0.66 -4.23 -0.05 0.00 1.23 0.00 0.00 39.78 37.39 2dnq n ASN 8 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2dnq s LEU 9 N -6.55 4.36 0.00 1.20 1.43 -1.24 -4.21 118.68 113.67 2dnq s LEU 9 Ca 0.05 0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 53.77 2dnq s LEU 9 Cb -0.01 -2.84 0.05 0.00 0.03 0.00 0.00 46.19 43.42 2dnq s LEU 9 CO 0.80 0.21 0.27 -0.81 0.23 0.00 0.00 176.35 177.05 2dnq n PRO 10 N 0.96 -0.51 0.00 1.29 -0.04 -1.26 -4.90 135.00 130.54 2dnq n PRO 10 Ca -0.09 -0.42 0.12 0.00 -0.04 0.00 0.00 63.50 63.06 2dnq n PRO 10 Cb 0.52 -0.30 0.06 0.00 -0.04 0.00 0.00 33.50 33.74 2dnq n PRO 10 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2dnq n ARG 11 N -1.72 1.85 -0.07 0.54 0.00 -1.26 -4.24 116.66 111.77 2dnq n ARG 11 Ca 0.03 -1.53 -0.10 0.00 -0.00 0.00 0.00 57.85 56.25 2dnq n ARG 11 Cb 0.12 -1.47 -0.15 0.00 -0.00 0.00 0.00 32.46 30.96 2dnq n ARG 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2dnq n GLU 12 N 0.76 0.67 -1.65 2.89 1.02 -1.26 -4.96 120.64 118.11 2dnq n GLU 12 Ca 0.12 0.13 -0.43 0.00 -0.02 0.00 0.00 57.16 56.95 2dnq n GLU 12 Cb 0.54 -1.64 -0.01 0.00 -0.02 0.00 0.00 31.44 30.32 2dnq n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dnq n ALA 13 N -2.70 0.62 -2.60 0.62 0.00 -1.26 -5.00 120.51 110.18 2dnq n ALA 13 Ca -0.27 0.38 -0.17 0.00 0.00 0.00 0.00 53.44 53.37 2dnq n ALA 13 Cb 1.11 -2.15 -0.11 0.00 0.00 0.00 0.00 19.45 18.29 2dnq n ALA 13 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dnq s THR 14 N -1.05 1.13 0.27 0.00 -4.23 -1.26 -5.01 115.64 105.48 2dnq s THR 14 Ca 0.57 -1.49 -0.07 0.00 -1.18 0.00 0.00 61.69 59.52 2dnq s THR 14 Cb -0.63 -1.26 0.43 0.00 1.34 0.00 0.00 72.50 72.39 2dnq s THR 14 CO 0.61 -0.35 1.48 -0.62 -0.54 0.00 0.00 174.62 175.20 2dnq n GLU 15 N 0.92 -0.08 0.10 3.99 4.71 -1.26 -1.52 120.64 127.49 2dnq n GLU 15 Ca -0.18 1.48 -0.04 0.00 -0.01 0.00 0.00 57.16 58.40 2dnq n GLU 15 Cb 0.56 -2.21 -0.02 0.00 -1.01 0.00 0.00 31.44 28.76 2dnq n GLU 15 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 2dnq h GLN 16 N 0.00 -0.24 -0.73 3.49 4.20 -1.96 0.32 115.11 120.19 2dnq h GLN 16 Ca 0.46 0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.27 2dnq h GLN 16 Cb 0.71 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.45 2dnq h GLN 16 CO -0.97 -0.16 -0.38 0.39 -0.67 0.00 0.00 178.83 177.04 2dnq n GLU 17 N -2.70 -0.27 -0.33 1.46 -0.58 -0.60 0.17 120.64 117.80 2dnq n GLU 17 Ca -0.03 1.11 -0.03 0.00 -0.42 0.00 0.00 57.16 57.79 2dnq n GLU 17 Cb 0.10 -1.64 0.09 0.00 -0.57 0.00 0.00 31.44 29.43 2dnq n GLU 17 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2dnq h ILE 18 N 0.00 1.21 0.90 -3.67 1.08 -1.27 -2.52 117.51 113.24 2dnq h ILE 18 Ca 0.17 -0.40 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 2dnq h ILE 18 Cb 0.35 -0.07 0.01 0.00 -3.07 0.00 0.00 36.82 34.03 2dnq h ILE 18 CO -0.70 0.21 -0.44 -0.09 -0.69 0.00 0.00 178.15 176.44 2dnq h ARG 19 N 1.18 -1.18 -0.55 2.37 2.43 0.40 -3.12 114.38 115.91 2dnq h ARG 19 Ca 0.33 0.08 0.09 0.00 -0.81 0.00 0.00 59.98 59.68 2dnq h ARG 19 Cb -0.10 0.27 -0.11 0.00 -0.42 0.00 0.00 29.97 29.61 2dnq h ARG 19 CO -0.08 -0.79 -0.37 1.03 -1.51 0.00 0.00 179.97 178.25 2dnq h SER 20 N -1.22 -1.27 -0.92 -3.80 0.87 -0.44 0.35 113.55 107.13 2dnq h SER 20 Ca -0.12 0.23 0.20 0.00 -1.23 0.00 0.00 61.79 60.87 2dnq h SER 20 Cb 0.94 0.60 -0.17 0.00 -0.44 0.00 0.00 62.40 63.33 2dnq h SER 20 CO 0.19 -0.32 -0.17 0.18 -0.53 0.00 0.00 176.83 176.19 2dnq n LEU 21 N -5.42 -0.27 -0.03 2.23 4.77 -0.96 0.10 117.00 117.41 2dnq n LEU 21 Ca 0.03 1.57 -0.16 0.00 -0.03 0.00 0.00 56.01 57.42 2dnq n LEU 21 Cb 0.35 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 2dnq n LEU 21 CO 0.01 -1.53 0.33 -0.26 -1.33 0.00 0.00 177.39 174.61 2dnq h PHE 22 N 0.00 1.04 0.00 -1.77 0.04 -0.97 -3.02 116.94 112.26 2dnq h PHE 22 Ca 0.47 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2dnq h PHE 22 Cb 0.79 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.77 2dnq h PHE 22 CO -0.65 1.26 0.44 0.93 -0.60 0.00 0.00 178.31 179.69 2dnq h GLU 23 N 0.56 0.00 0.02 1.51 4.39 0.25 0.69 114.58 122.00 2dnq h GLU 23 Ca -0.03 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.45 2dnq h GLU 23 Cb 1.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2dnq h GLU 23 CO 0.15 0.00 -0.96 1.96 -1.16 0.00 0.00 179.01 178.99 2dnq h GLN 24 N 0.00 0.27 -0.21 2.33 4.20 -1.27 -3.29 115.11 117.14 2dnq h GLN 24 Ca 0.00 -0.32 -0.10 0.00 0.06 0.00 0.00 58.65 58.29 2dnq h GLN 24 Cb 0.87 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.69 2dnq h GLN 24 CO 0.00 1.05 -0.20 0.66 -0.67 0.00 0.00 178.83 179.67 2dnq n TYR 25 N -3.65 0.65 0.00 2.96 4.02 0.23 -5.02 117.16 116.35 2dnq n TYR 25 Ca -0.05 -1.47 0.00 0.00 -0.01 0.00 0.00 57.90 56.37 2dnq n TYR 25 Cb 0.86 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 2dnq n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2dnq n GLY 26 N -1.10 4.65 3.69 2.72 0.00 -0.41 -4.52 105.19 110.22 2dnq n GLY 26 Ca 0.27 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 2dnq n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dnq n LYS 27 N -1.24 1.35 -4.00 1.61 3.00 -1.26 -2.85 118.16 114.76 2dnq n LYS 27 Ca 0.00 0.50 -0.32 0.00 -0.00 0.00 0.00 58.31 58.49 2dnq n LYS 27 Cb 0.00 -2.40 -0.06 0.00 0.00 0.00 0.00 35.03 32.57 2dnq n LYS 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2dnq s VAL 28 N -1.36 5.05 -0.16 3.15 1.01 -1.26 -1.78 120.40 125.05 2dnq s VAL 28 Ca 0.74 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 2dnq s VAL 28 Cb -0.42 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 2dnq s VAL 28 CO 0.48 0.28 -0.27 0.18 0.00 0.00 0.00 175.10 175.77 2dnq n LEU 29 N 0.88 1.66 -4.19 3.92 4.77 0.43 -4.95 117.00 119.52 2dnq n LEU 29 Ca -0.11 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.01 2dnq n LEU 29 Cb 0.52 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 40.86 2dnq n LEU 29 CO 0.43 -0.05 -0.42 -1.61 -1.33 0.00 0.00 177.39 174.41 2dnq s GLU 30 N -2.58 0.90 -0.28 3.23 2.02 -1.25 -4.98 118.70 115.76 2dnq s GLU 30 Ca -0.25 -1.23 0.01 0.00 0.02 0.00 0.00 54.97 53.51 2dnq s GLU 30 Cb 0.06 -0.56 0.17 0.00 0.10 0.00 0.00 34.13 33.91 2dnq s GLU 30 CO 0.35 0.08 0.49 0.00 0.02 0.00 0.00 175.26 176.20 2dnq s ASP 32 N 2.69 3.50 -0.41 0.00 -1.08 -0.87 -4.92 116.67 115.58 2dnq s ASP 32 Ca 0.13 -0.80 -0.10 0.00 -0.52 0.00 0.00 52.55 51.26 2dnq s ASP 32 Cb -0.13 -1.51 0.06 0.00 -1.46 0.00 0.00 42.92 39.87 2dnq s ASP 32 CO -0.23 -0.05 0.25 -0.63 0.52 0.00 0.00 175.17 175.03 2dnq s ILE 33 N 1.26 4.39 0.14 4.11 1.01 -1.26 -0.50 121.20 130.36 2dnq s ILE 33 Ca 0.02 -1.21 -0.08 0.00 0.00 0.00 0.00 60.65 59.38 2dnq s ILE 33 Cb -0.15 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 2dnq s ILE 33 CO -0.11 -0.43 0.23 -0.63 0.00 0.00 0.00 174.94 174.01 2dnq s ILE 34 N 1.48 0.09 -1.37 2.92 1.01 0.30 -4.90 121.20 120.73 2dnq s ILE 34 Ca 0.03 -1.40 -0.17 0.00 0.00 0.00 0.00 60.65 59.11 2dnq s ILE 34 Cb -0.22 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.54 2dnq s ILE 34 CO 0.04 -0.42 0.38 0.29 0.00 0.00 0.00 174.94 175.22 2dnq n LYS 35 N -0.16 -0.77 -3.08 2.79 5.02 -1.26 0.15 118.16 120.85 2dnq n LYS 35 Ca -0.09 0.11 -0.18 0.00 -2.02 0.00 0.00 58.31 56.13 2dnq n LYS 35 Cb 0.63 -3.16 -0.01 0.00 -0.02 0.00 0.00 35.03 32.47 2dnq n LYS 35 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dnq n ASN 36 N -2.54 -3.13 -3.94 4.39 3.02 -1.26 -4.91 115.26 106.89 2dnq n ASN 36 Ca -0.22 -0.16 -0.09 0.00 -0.03 0.00 0.00 54.58 54.09 2dnq n ASN 36 Cb 0.63 -2.65 -0.09 0.00 -0.61 0.00 0.00 39.78 37.07 2dnq n ASN 36 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2dnq s TYR 37 N -2.71 0.26 -0.03 3.10 -0.85 0.39 -3.18 117.35 114.32 2dnq s TYR 37 Ca 0.27 -0.64 -0.00 0.00 -0.52 0.00 0.00 57.07 56.17 2dnq s TYR 37 Cb -0.14 -0.17 0.03 0.00 0.38 0.00 0.00 41.96 42.05 2dnq s TYR 37 CO 0.33 -0.41 0.02 0.20 -1.52 0.00 0.00 175.55 174.16 2dnq s GLY 38 N -2.47 0.22 -0.39 5.49 0.00 0.95 0.11 107.32 111.22 2dnq s GLY 38 Ca 0.00 0.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.78 2dnq s GLY 38 CO -0.07 0.78 0.24 -1.36 0.00 0.00 0.00 173.10 172.68 2dnq s PHE 39 N 1.27 3.24 -0.16 1.90 0.08 0.35 -1.30 117.98 123.35 2dnq s PHE 39 Ca -0.06 -0.83 -0.03 0.00 0.12 0.00 0.00 56.93 56.12 2dnq s PHE 39 Cb -0.13 -2.49 -0.02 0.00 -0.57 0.00 0.00 43.02 39.81 2dnq s PHE 39 CO -0.02 -0.63 -0.07 0.08 -0.10 0.00 0.00 175.22 174.49 2dnq s VAL 40 N 1.60 3.53 -0.43 -0.44 1.01 -0.76 -2.04 120.40 122.86 2dnq s VAL 40 Ca 0.03 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 2dnq s VAL 40 Cb -0.19 -2.54 0.09 0.00 0.00 0.00 0.00 36.38 33.74 2dnq s VAL 40 CO 0.08 0.48 0.27 -1.00 0.00 0.00 0.00 175.10 174.93 2dnq s HIS 41 N 0.63 3.38 0.86 5.22 0.09 -0.77 0.82 115.29 125.51 2dnq s HIS 41 Ca -0.04 -1.70 -0.12 0.00 -0.00 0.00 0.00 55.06 53.20 2dnq s HIS 41 Cb -0.15 -3.08 0.11 0.00 -0.00 0.00 0.00 32.58 29.45 2dnq s HIS 41 CO 0.03 -0.89 1.12 -1.50 -0.00 0.00 0.00 174.74 173.50 2dnq s ILE 42 N 1.38 2.43 0.00 0.60 2.07 -0.39 -0.43 121.20 126.86 2dnq s ILE 42 Ca 0.04 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.42 2dnq s ILE 42 Cb -0.24 -2.91 0.00 0.00 0.13 0.00 0.00 42.46 39.45 2dnq s ILE 42 CO 0.01 -0.18 0.33 1.21 -1.91 0.00 0.00 174.94 174.39 2dnq n GLU 43 N -3.60 0.00 -3.77 3.50 2.13 -0.73 -2.78 120.64 115.38 2dnq n GLU 43 Ca 0.07 0.25 -0.35 0.00 0.66 0.00 0.00 57.16 57.78 2dnq n GLU 43 Cb 0.58 -0.97 -0.05 0.00 0.27 0.00 0.00 31.44 31.27 2dnq n GLU 43 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2dnq s ASP 44 N -2.00 6.49 0.12 4.31 2.15 -1.26 -4.00 116.67 122.49 2dnq s ASP 44 Ca 0.00 0.56 -0.29 0.00 0.43 0.00 0.00 52.55 53.26 2dnq s ASP 44 Cb 0.00 -2.09 -0.07 0.00 -0.30 0.00 0.00 42.92 40.46 2dnq s ASP 44 CO 0.00 0.29 1.60 0.50 -0.17 0.00 0.00 175.17 177.39 2dnq h LYS 45 N 4.23 -0.52 -1.06 4.34 3.64 -1.89 -0.79 116.57 124.53 2dnq h LYS 45 Ca -0.51 0.04 0.28 0.00 -1.27 0.00 0.00 60.65 59.18 2dnq h LYS 45 Cb 1.20 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 33.05 2dnq h LYS 45 CO 0.64 -0.34 0.68 1.15 -2.27 0.00 0.00 179.45 179.31 2dnq h THR 46 N -0.54 0.50 -0.08 1.00 2.02 -1.97 0.63 112.91 114.46 2dnq h THR 46 Ca 0.05 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 2dnq h THR 46 Cb 0.62 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2dnq h THR 46 CO -0.29 0.07 0.03 0.00 0.37 0.00 0.00 175.52 175.69 2dnq h ALA 47 N 1.62 1.90 0.27 6.16 0.00 -1.40 -3.13 119.26 124.68 2dnq h ALA 47 Ca 0.61 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 2dnq h ALA 47 Cb 1.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2dnq h ALA 47 CO -0.30 0.08 -0.13 0.00 0.00 0.00 0.00 179.25 178.91 2dnq h ALA 48 N 1.93 -1.00 -0.88 0.00 0.00 0.42 -2.89 119.26 116.84 2dnq h ALA 48 Ca 0.03 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.04 2dnq h ALA 48 Cb 0.03 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 17.79 2dnq h ALA 48 CO -0.00 -0.97 -0.19 0.39 0.00 0.00 0.00 179.25 178.47 2dnq n GLU 49 N -3.04 -0.08 -0.05 0.00 -0.58 -1.19 0.46 120.64 116.16 2dnq n GLU 49 Ca -0.04 1.36 -0.10 0.00 -0.42 0.00 0.00 57.16 57.96 2dnq n GLU 49 Cb 0.14 -2.05 -0.04 0.00 -0.57 0.00 0.00 31.44 28.93 2dnq n GLU 49 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2dnq h ASP 50 N 0.00 -1.12 0.41 1.62 3.32 -1.51 -0.62 116.42 118.53 2dnq h ASP 50 Ca 0.43 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.63 2dnq h ASP 50 Cb 0.69 0.49 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2dnq h ASP 50 CO -0.89 -0.36 -0.20 0.00 -1.72 0.00 0.00 179.24 176.07 2dnq h ALA 51 N 0.47 -0.58 -0.66 3.45 0.00 0.06 -3.31 119.26 118.70 2dnq h ALA 51 Ca 0.12 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2dnq h ALA 51 Cb 0.56 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 2dnq h ALA 51 CO -0.44 -0.54 -0.39 -0.89 0.00 0.00 0.00 179.25 176.99 2dnq n ILE 52 N -4.95 -0.45 -0.04 0.00 5.41 0.17 -1.00 119.36 118.50 2dnq n ILE 52 Ca -0.07 1.78 -0.01 0.00 1.00 0.00 0.00 62.75 65.45 2dnq n ILE 52 Cb 0.22 -2.22 -0.01 0.00 -0.71 0.00 0.00 39.64 36.91 2dnq n ILE 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2dnq n ARG 53 N -4.62 -0.05 0.00 0.38 0.63 -0.24 0.63 116.66 113.40 2dnq n ARG 53 Ca 0.01 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 2dnq n ARG 53 Cb 0.17 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 31.71 2dnq n ARG 53 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2dnq n ASN 54 N -3.14 0.00 -0.42 6.15 3.02 -0.39 -2.01 115.26 118.48 2dnq n ASN 54 Ca 0.00 0.85 0.33 0.00 -0.03 0.00 0.00 54.58 55.73 2dnq n ASN 54 Cb 0.03 -0.35 0.54 0.00 -0.61 0.00 0.00 39.78 39.39 2dnq n ASN 54 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2dnq n LEU 55 N -1.74 0.09 -4.65 3.41 4.77 -0.17 -4.22 117.00 114.48 2dnq n LEU 55 Ca 0.00 0.89 -0.49 0.00 -0.03 0.00 0.00 56.01 56.38 2dnq n LEU 55 Cb 0.00 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 2dnq n LEU 55 CO 0.00 -0.94 1.17 1.57 -1.33 0.00 0.00 177.39 177.86 2dnq n HIS 56 N -3.83 2.04 -2.65 -1.77 -0.00 0.21 -0.41 115.22 108.79 2dnq n HIS 56 Ca 0.31 0.36 -0.16 0.00 0.46 0.00 0.00 57.72 58.68 2dnq n HIS 56 Cb 1.28 -2.49 -0.00 0.00 -0.12 0.00 0.00 29.99 28.66 2dnq n HIS 56 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2dnq n HIS 57 N 3.89 -1.48 -2.46 1.57 8.25 -0.21 -4.90 115.22 119.89 2dnq n HIS 57 Ca 0.19 0.13 -0.42 0.00 -0.26 0.00 0.00 57.72 57.37 2dnq n HIS 57 Cb 0.24 -3.16 -0.03 0.00 1.12 0.00 0.00 29.99 28.17 2dnq n HIS 57 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2dnq s TYR 58 N -2.79 3.32 -1.05 4.41 5.04 0.45 -4.77 117.35 121.96 2dnq s TYR 58 Ca 0.10 1.28 -0.23 0.00 -2.44 0.00 0.00 57.07 55.78 2dnq s TYR 58 Cb -0.05 -3.40 -0.04 0.00 0.35 0.00 0.00 41.96 38.82 2dnq s TYR 58 CO 0.12 -1.21 1.87 0.21 -1.34 0.00 0.00 175.55 175.20 2dnq s LYS 59 N 1.68 2.77 -0.09 4.97 2.20 -1.26 -3.67 119.74 126.34 2dnq s LYS 59 Ca 0.57 -0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 55.32 2dnq s LYS 59 Cb -0.26 -5.20 -0.03 0.00 -1.51 0.00 0.00 37.83 30.82 2dnq s LYS 59 CO 0.25 -3.36 0.01 -1.17 -0.36 0.00 0.00 175.35 170.71 2dnq s LEU 60 N 9.34 3.60 -0.71 5.43 2.96 -0.64 -4.50 118.68 134.16 2dnq s LEU 60 Ca 0.65 0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.65 2dnq s LEU 60 Cb -0.03 -1.83 0.05 0.00 0.50 0.00 0.00 46.19 44.88 2dnq s LEU 60 CO 0.04 0.36 0.18 1.41 -1.32 0.00 0.00 176.35 177.03 2dnq n HIS 61 N 2.24 -1.73 -2.76 5.38 8.25 -1.26 0.13 115.22 125.47 2dnq n HIS 61 Ca -0.19 0.19 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 2dnq n HIS 61 Cb 0.54 -1.80 0.02 0.00 1.12 0.00 0.00 29.99 29.87 2dnq n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dnq n GLY 62 N -0.76 -0.01 3.15 -1.41 0.00 -1.26 -5.02 105.19 99.87 2dnq n GLY 62 Ca -0.01 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 2dnq n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dnq s VAL 63 N -2.95 0.11 -0.35 1.61 0.11 0.35 -5.13 120.40 114.15 2dnq s VAL 63 Ca 0.20 -1.91 -0.03 0.00 -2.93 0.00 0.00 61.98 57.30 2dnq s VAL 63 Cb -0.09 -2.06 0.07 0.00 -1.53 0.00 0.00 36.38 32.77 2dnq s VAL 63 CO 0.25 -0.45 0.09 0.20 -3.33 0.00 0.00 175.10 171.86 2dnq s ASN 64 N -3.05 5.12 0.23 3.54 -0.87 -1.26 -1.61 114.94 117.03 2dnq s ASN 64 Ca 0.24 -1.48 -0.07 0.00 -1.57 0.00 0.00 52.86 49.98 2dnq s ASN 64 Cb 0.07 -1.79 -0.06 0.00 -0.02 0.00 0.00 41.25 39.45 2dnq s ASN 64 CO 0.02 -0.37 0.52 0.27 -2.57 0.00 0.00 177.10 174.97 2dnq s ILE 65 N 1.26 5.00 -0.17 0.60 -4.36 -1.24 -4.83 121.20 117.45 2dnq s ILE 65 Ca -0.00 0.27 -0.02 0.00 -0.26 0.00 0.00 60.65 60.64 2dnq s ILE 65 Cb -0.21 -3.65 -0.01 0.00 1.25 0.00 0.00 42.46 39.84 2dnq s ILE 65 CO -0.01 -0.12 -0.08 0.20 0.24 0.00 0.00 174.94 175.16 2dnq s ASN 66 N -2.61 4.23 -0.17 4.36 0.01 -1.00 -1.05 114.94 118.71 2dnq s ASN 66 Ca 0.45 -0.33 -0.01 0.00 -0.71 0.00 0.00 52.86 52.27 2dnq s ASN 66 Cb -0.11 -1.68 -0.00 0.00 0.41 0.00 0.00 41.25 39.86 2dnq s ASN 66 CO 0.24 0.09 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.10 2dnq s VAL 67 N 0.79 2.76 0.00 1.60 1.01 -1.26 -1.77 120.40 123.53 2dnq s VAL 67 Ca -0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2dnq s VAL 67 Cb -0.15 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2dnq s VAL 67 CO 0.01 0.50 0.04 -0.70 0.00 0.00 0.00 175.10 174.95 2dnq s GLU 68 N 0.97 0.26 0.16 2.72 2.12 -0.67 -4.86 118.70 119.40 2dnq s GLU 68 Ca -0.02 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 2dnq s GLU 68 Cb -0.15 0.10 -0.08 0.00 0.26 0.00 0.00 34.13 34.26 2dnq s GLU 68 CO -0.02 -0.05 1.29 0.00 -0.54 0.00 0.00 175.26 175.94 2dnq s ALA 69 N -0.88 3.51 -1.05 6.30 0.00 -1.26 -1.27 121.76 127.10 2dnq s ALA 69 Ca -0.10 1.05 -0.23 0.00 0.00 0.00 0.00 51.96 52.69 2dnq s ALA 69 Cb -0.06 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 2dnq s ALA 69 CO -0.00 -0.51 1.74 0.45 0.00 0.00 0.00 175.76 177.44 2dnq s SER 70 N 0.54 5.88 0.20 0.00 0.15 -1.23 -4.82 113.70 114.41 2dnq s SER 70 Ca 0.58 -1.40 0.01 0.00 0.70 0.00 0.00 55.95 55.84 2dnq s SER 70 Cb -0.35 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.35 2dnq s SER 70 CO 0.35 -2.11 0.37 -0.54 1.20 0.00 0.00 173.24 172.52 2dnq s LYS 71 N 5.76 3.49 -0.20 5.44 -0.14 -1.26 -4.87 119.74 127.96 2dnq s LYS 71 Ca 0.59 -0.45 0.01 0.00 -1.36 0.00 0.00 55.97 54.75 2dnq s LYS 71 Cb -0.02 -2.86 0.05 0.00 -1.68 0.00 0.00 37.83 33.32 2dnq s LYS 71 CO -0.00 0.41 -0.09 1.21 -0.76 0.00 0.00 175.35 176.12 2dnq s ASN 72 N -3.34 3.42 1.02 2.83 3.84 -1.26 -5.13 114.94 116.32 2dnq s ASN 72 Ca 0.37 -0.92 -0.12 0.00 0.21 0.00 0.00 52.86 52.41 2dnq s ASN 72 Cb -0.11 -1.20 0.20 0.00 -0.55 0.00 0.00 41.25 39.60 2dnq s ASN 72 CO 0.29 -0.16 1.08 -1.59 -2.79 0.00 0.00 177.10 173.93 2dnq s LYS 73 N 1.42 0.26 -0.07 0.43 0.00 -1.26 -5.07 119.74 115.45 2dnq s LYS 73 Ca -0.02 0.93 -0.20 0.00 0.00 0.00 0.00 55.97 56.67 2dnq s LYS 73 Cb -0.17 -1.69 0.04 0.00 0.00 0.00 0.00 37.83 36.02 2dnq s LYS 73 CO -0.08 -2.95 0.47 -1.54 0.00 0.00 0.00 175.35 171.25 2dnq s SER 74 N -2.94 -0.42 -0.15 0.03 1.04 -1.26 -5.16 113.70 104.85 2dnq s SER 74 Ca 0.66 0.53 -0.01 0.00 0.48 0.00 0.00 55.95 57.62 2dnq s SER 74 Cb -0.22 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 2dnq s SER 74 CO 0.60 -0.42 -0.12 -0.54 0.98 0.00 0.00 173.24 173.74 2dnq s LYS 75 N -0.84 3.35 -0.19 4.02 -0.14 -1.26 -5.02 119.74 119.66 2dnq s LYS 75 Ca -0.09 -0.69 -0.17 0.00 -1.36 0.00 0.00 55.97 53.66 2dnq s LYS 75 Cb -0.03 -2.68 -0.13 0.00 -1.68 0.00 0.00 37.83 33.31 2dnq s LYS 75 CO 0.05 0.11 0.04 0.00 -0.76 0.00 0.00 175.35 174.79 2dnq n ALA 76 N 3.82 0.68 -3.25 5.17 0.00 -1.26 -4.95 120.51 120.73 2dnq n ALA 76 Ca -0.18 -0.49 -0.03 0.00 0.00 0.00 0.00 53.44 52.74 2dnq n ALA 76 Cb 0.52 -0.32 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 2dnq n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dnq s SER 77 N -6.46 -0.56 0.69 0.00 0.15 -1.26 -5.15 113.70 101.11 2dnq s SER 77 Ca -0.24 0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.68 2dnq s SER 77 Cb 0.05 1.62 0.01 0.00 -1.71 0.00 0.00 66.02 65.99 2dnq s SER 77 CO 0.45 -0.29 1.24 -0.55 1.20 0.00 0.00 173.24 175.29 2dnq s SER 78 N 2.70 4.41 -0.12 5.45 0.15 -1.26 -4.56 113.70 120.47 2dnq s SER 78 Ca 0.16 2.47 -0.06 0.00 0.70 0.00 0.00 55.95 59.22 2dnq s SER 78 Cb -0.15 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.59 2dnq s SER 78 CO -0.20 -2.13 0.12 0.61 1.20 0.00 0.00 173.24 172.84 2dnq n GLY 79 N 0.62 -4.21 3.52 9.45 0.00 -1.26 -4.88 105.19 108.43 2dnq n GLY 79 Ca 0.14 0.77 -0.52 0.00 0.00 0.00 0.00 46.02 46.42 2dnq n GLY 79 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dnq n PRO 80 N 0.88 0.61 -3.97 1.61 -0.02 -1.26 -4.97 135.00 127.88 2dnq n PRO 80 Ca -0.21 0.22 -0.21 0.00 -2.02 0.00 0.00 63.50 61.28 2dnq n PRO 80 Cb 0.32 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 2dnq n PRO 80 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2dnq s SER 81 N -0.16 6.00 0.34 2.55 0.01 -1.26 -5.13 113.70 116.06 2dnq s SER 81 Ca 0.77 -0.07 -0.05 0.00 1.31 0.00 0.00 55.95 57.91 2dnq s SER 81 Cb -0.99 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 63.61 2dnq s SER 81 CO 0.54 -0.10 0.52 -0.44 0.41 0.00 0.00 173.24 174.17 2dnq s SER 82 N -3.95 0.71 0.00 2.44 0.01 -1.26 -5.28 113.70 106.37 2dnq s SER 82 Ca 0.35 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 56.21 2dnq s SER 82 Cb -0.09 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2dnq s SER 82 CO 0.28 -1.34 0.00 0.61 0.41 0.00 0.00 173.24 173.20