#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 1.88 -0.31 1.61 7.64 -1.26 -4.49 113.62 118.69 2dnq n SER -5 Ca 0.00 0.42 0.16 0.00 1.01 0.00 0.00 58.87 60.46 2dnq n SER -5 Cb 0.00 -0.78 0.33 0.00 -1.01 0.00 0.00 64.21 62.76 2dnq n SER -5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dnq h SER -4 N -0.99 0.08 -2.28 6.43 0.87 -2.06 -3.40 113.55 112.20 2dnq h SER -4 Ca 0.00 0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 2dnq h SER -4 Cb 0.84 0.25 0.03 0.00 -0.44 0.00 0.00 62.40 63.08 2dnq h SER -4 CO 0.00 -0.17 0.07 0.61 -0.53 0.00 0.00 176.83 176.80 2dnq n GLY -3 N -1.36 -1.22 1.45 5.77 0.00 -1.26 -5.06 105.19 103.50 2dnq n GLY -3 Ca 0.24 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2dnq n GLY -3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dnq n SER -2 N -3.14 0.16 -0.01 1.61 3.41 -1.26 -4.88 113.62 109.50 2dnq n SER -2 Ca 0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.53 2dnq n SER -2 Cb 0.09 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 2dnq n SER -2 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dnq h SER -1 N 0.00 -1.15 0.00 4.04 0.02 -1.97 -3.48 113.55 111.01 2dnq h SER -1 Ca 0.00 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2dnq h SER -1 Cb 0.38 0.48 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2dnq h SER -1 CO 0.00 -0.39 0.00 0.61 -1.14 0.00 0.00 176.83 175.91 2dnq n GLY 0 N -1.42 0.19 3.36 -3.77 0.00 -1.26 -5.02 105.19 97.27 2dnq n GLY 0 Ca -0.03 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 2dnq n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dnq n MET 1 N 0.00 -0.12 -3.82 1.61 -0.00 -1.16 -4.33 117.12 109.31 2dnq n MET 1 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.70 57.46 2dnq n MET 1 Cb 0.00 -1.70 -0.17 0.00 -0.00 0.00 0.00 33.22 31.35 2dnq n MET 1 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2dnq s VAL 2 N -2.23 0.58 0.60 3.17 1.01 -1.04 -4.94 120.40 117.55 2dnq s VAL 2 Ca 0.56 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.36 2dnq s VAL 2 Cb -0.24 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2dnq s VAL 2 CO 0.68 0.29 1.13 -0.75 0.00 0.00 0.00 175.10 176.45 2dnq s LYS 3 N 1.88 3.07 -0.02 2.72 2.20 -1.26 -2.09 119.74 126.24 2dnq s LYS 3 Ca 0.05 1.53 0.02 0.00 -0.36 0.00 0.00 55.97 57.21 2dnq s LYS 3 Cb -0.12 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.23 2dnq s LYS 3 CO -0.06 -1.06 -0.06 -0.51 -0.36 0.00 0.00 175.35 173.30 2dnq s LEU 4 N -4.30 1.78 -0.20 5.43 1.43 0.15 -3.82 118.68 119.15 2dnq s LEU 4 Ca 0.71 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 53.57 2dnq s LEU 4 Cb -0.23 -0.40 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 2dnq s LEU 4 CO 0.34 0.04 0.14 0.12 0.23 0.00 0.00 176.35 177.22 2dnq s PHE 5 N 0.21 3.41 -0.15 0.29 5.36 -0.83 -1.87 117.98 124.40 2dnq s PHE 5 Ca -0.02 0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 56.27 2dnq s PHE 5 Cb -0.07 -2.18 0.04 0.00 -0.34 0.00 0.00 43.02 40.47 2dnq s PHE 5 CO -0.00 0.27 -0.03 0.42 -1.46 0.00 0.00 175.22 174.42 2dnq s ILE 6 N 0.42 0.89 0.45 3.12 1.01 -0.12 -1.76 121.20 125.21 2dnq s ILE 6 Ca 0.08 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.34 2dnq s ILE 6 Cb -0.11 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 2dnq s ILE 6 CO -0.01 0.13 0.14 -0.83 0.00 0.00 0.00 174.94 174.37 2dnq s GLY 7 N 1.73 2.53 -0.97 6.18 0.00 -0.69 -0.11 107.32 115.99 2dnq s GLY 7 Ca 0.02 -1.65 -0.06 0.00 0.00 0.00 0.00 44.72 43.02 2dnq s GLY 7 CO -0.07 -2.02 0.85 -2.01 0.00 0.00 0.00 173.10 169.85 2dnq n ASN 8 N -1.27 -5.06 -4.80 1.64 5.15 -1.21 -1.57 115.26 108.14 2dnq n ASN 8 Ca -0.06 -0.39 -0.37 0.00 -0.60 0.00 0.00 54.58 53.16 2dnq n ASN 8 Cb 0.66 -3.75 -0.06 0.00 -0.53 0.00 0.00 39.78 36.10 2dnq n ASN 8 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dnq s LEU 9 N -5.50 4.42 0.00 1.20 1.43 -1.23 -4.34 118.68 114.67 2dnq s LEU 9 Ca 0.41 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 2dnq s LEU 9 Cb -0.18 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.47 2dnq s LEU 9 CO 0.52 0.07 0.00 -0.81 0.23 0.00 0.00 176.35 176.36 2dnq n PRO 10 N 0.97 0.43 -0.08 1.29 -0.04 -1.26 -4.93 135.00 131.38 2dnq n PRO 10 Ca -0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.34 2dnq n PRO 10 Cb 0.50 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.81 2dnq n PRO 10 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2dnq n ARG 11 N -0.54 0.67 0.20 0.54 3.00 -1.26 -4.22 116.66 115.05 2dnq n ARG 11 Ca 0.00 0.08 0.08 0.00 -0.00 0.00 0.00 57.85 58.01 2dnq n ARG 11 Cb 0.00 -1.60 0.31 0.00 0.00 0.00 0.00 32.46 31.17 2dnq n ARG 11 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2dnq h GLU 12 N 0.00 0.00 -6.48 -0.14 4.39 -1.99 -3.45 114.58 106.91 2dnq h GLU 12 Ca -0.47 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 58.62 2dnq h GLU 12 Cb 2.17 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 30.91 2dnq h GLU 12 CO 0.04 0.30 0.40 0.00 -1.16 0.00 0.00 179.01 178.59 2dnq n ALA 13 N -2.22 0.19 -2.61 3.43 0.00 -1.26 -4.99 120.51 113.06 2dnq n ALA 13 Ca 0.01 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.66 2dnq n ALA 13 Cb 0.53 -2.14 -0.14 0.00 0.00 0.00 0.00 19.45 17.70 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 -0.33 1.19 0.43 0.00 -4.23 -1.26 -5.00 115.64 106.44 2dnq s THR 14 Ca 0.68 -0.94 0.34 0.00 -1.18 0.00 0.00 61.69 60.58 2dnq s THR 14 Cb -0.73 -1.05 0.51 0.00 1.34 0.00 0.00 72.50 72.57 2dnq s THR 14 CO 0.53 0.10 1.47 -0.62 -0.54 0.00 0.00 174.62 175.56 2dnq n GLU 15 N 2.07 -0.03 0.08 3.99 4.71 -1.26 -0.87 120.64 129.34 2dnq n GLU 15 Ca -0.17 1.16 -0.04 0.00 -0.01 0.00 0.00 57.16 58.10 2dnq n GLU 15 Cb 0.55 -2.34 -0.02 0.00 -1.01 0.00 0.00 31.44 28.62 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 -0.23 -0.80 3.49 4.20 -1.94 -2.01 115.11 117.82 2dnq h GLN 16 Ca 0.84 0.02 0.24 0.00 0.06 0.00 0.00 58.65 59.81 2dnq h GLN 16 Cb 2.83 0.05 -0.15 0.00 0.30 0.00 0.00 27.48 30.51 2dnq h GLN 16 CO -0.37 -0.15 0.09 0.39 -0.67 0.00 0.00 178.83 178.12 2dnq n GLU 17 N -3.31 -0.06 0.09 1.46 -0.58 -0.05 0.52 120.64 118.72 2dnq n GLU 17 Ca -0.03 1.17 -0.13 0.00 -0.42 0.00 0.00 57.16 57.76 2dnq n GLU 17 Cb 0.09 -1.91 -0.08 0.00 -0.57 0.00 0.00 31.44 28.97 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 0.91 -0.12 -3.67 1.08 -1.47 -2.74 117.51 111.50 2dnq h ILE 18 Ca 0.52 -0.78 0.04 0.00 -0.39 0.00 0.00 64.86 64.25 2dnq h ILE 18 Cb 1.13 1.36 -0.07 0.00 -3.07 0.00 0.00 36.82 36.18 2dnq h ILE 18 CO -0.72 0.17 -0.43 -0.09 -0.69 0.00 0.00 178.15 176.39 2dnq h ARG 19 N -0.66 -0.48 -0.31 2.37 2.43 0.86 -2.37 114.38 116.22 2dnq h ARG 19 Ca -0.03 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2dnq h ARG 19 Cb 0.47 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 2dnq h ARG 19 CO 0.04 -0.32 -0.36 1.03 -1.51 0.00 0.00 179.97 178.85 2dnq h SER 20 N -0.50 -1.18 -1.41 -3.80 0.87 -0.99 0.14 113.55 106.68 2dnq h SER 20 Ca 0.07 0.19 0.48 0.00 -1.23 0.00 0.00 61.79 61.30 2dnq h SER 20 Cb 0.63 0.52 -0.14 0.00 -0.44 0.00 0.00 62.40 62.98 2dnq h SER 20 CO -0.40 -0.35 0.91 -0.07 -0.53 0.00 0.00 176.83 176.39 2dnq h LEU 21 N -0.33 0.19 0.03 2.23 3.38 -1.10 1.78 115.31 121.48 2dnq h LEU 21 Ca 0.14 0.15 -0.27 0.00 0.09 0.00 0.00 57.88 57.99 2dnq h LEU 21 Cb 0.56 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2dnq h LEU 21 CO -0.49 -0.25 -1.43 -0.26 0.09 0.00 0.00 178.44 176.10 2dnq h PHE 22 N 0.01 0.10 0.00 1.13 0.04 -0.62 -3.29 116.94 114.31 2dnq h PHE 22 Ca 0.88 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 61.58 2dnq h PHE 22 Cb 2.87 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 41.01 2dnq h PHE 22 CO -0.01 1.09 0.02 0.39 -0.60 0.00 0.00 178.31 179.21 2dnq n GLU 23 N -3.24 0.11 0.10 1.51 -0.58 0.60 -0.70 120.64 118.44 2dnq n GLU 23 Ca -0.11 0.60 -0.03 0.00 -0.42 0.00 0.00 57.16 57.21 2dnq n GLU 23 Cb 1.01 -1.88 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 2dnq n GLU 23 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2dnq h GLN 24 N 0.00 0.00 -0.06 3.49 4.20 -1.51 -3.28 115.11 117.96 2dnq h GLN 24 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2dnq h GLN 24 Cb 0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2dnq h GLN 24 CO 0.00 0.77 -0.05 0.66 -0.67 0.00 0.00 178.83 179.53 2dnq n TYR 25 N -3.41 0.19 0.00 2.96 4.02 0.13 -5.04 117.16 116.01 2dnq n TYR 25 Ca 0.00 -1.05 0.00 0.00 -0.01 0.00 0.00 57.90 56.84 2dnq n TYR 25 Cb 0.80 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 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 -1.24 4.82 3.71 2.72 0.00 -0.63 -4.66 105.19 109.90 2dnq n GLY 26 Ca 0.18 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.79 1.56 -4.02 1.61 4.81 -1.26 -3.04 118.16 116.02 2dnq n LYS 27 Ca 0.00 0.57 -0.31 0.00 -0.87 0.00 0.00 58.31 57.70 2dnq n LYS 27 Cb 0.00 -2.44 -0.06 0.00 0.02 0.00 0.00 35.03 32.55 2dnq n LYS 27 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2dnq s VAL 28 N -1.31 4.80 -0.12 3.15 1.01 -1.26 -2.22 120.40 124.44 2dnq s VAL 28 Ca 0.70 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 2dnq s VAL 28 Cb -0.44 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2dnq s VAL 28 CO 0.50 0.17 -0.26 0.18 0.00 0.00 0.00 175.10 175.70 2dnq n LEU 29 N 0.56 1.68 -4.34 3.92 4.77 0.23 -4.97 117.00 118.86 2dnq n LEU 29 Ca -0.09 0.28 -0.24 0.00 -0.03 0.00 0.00 56.01 55.93 2dnq n LEU 29 Cb 0.52 -0.63 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 2dnq n LEU 29 CO 0.45 -0.29 -0.50 -0.70 -1.33 0.00 0.00 177.39 175.01 2dnq s GLU 30 N -2.63 1.27 -0.24 3.23 2.56 -1.25 -5.00 118.70 116.64 2dnq s GLU 30 Ca -0.22 -1.35 -0.07 0.00 0.00 0.00 0.00 54.97 53.33 2dnq s GLU 30 Cb 0.04 -1.45 0.11 0.00 2.00 0.00 0.00 34.13 34.83 2dnq s GLU 30 CO 0.32 0.31 0.50 0.00 -0.56 0.00 0.00 175.26 175.83 2dnq s ASP 32 N 2.71 1.59 -0.24 0.00 1.01 -0.88 -4.95 116.67 115.92 2dnq s ASP 32 Ca -0.00 -1.02 -0.04 0.00 0.71 0.00 0.00 52.55 52.21 2dnq s ASP 32 Cb -0.13 0.02 0.09 0.00 1.01 0.00 0.00 42.92 43.92 2dnq s ASP 32 CO -0.16 -0.38 0.17 -0.63 0.21 0.00 0.00 175.17 174.39 2dnq s ILE 33 N -3.42 -0.19 0.06 0.77 1.01 -1.26 -1.38 121.20 116.79 2dnq s ILE 33 Ca 0.16 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 2dnq s ILE 33 Cb 0.03 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 2dnq s ILE 33 CO -0.01 -0.45 0.11 -0.63 0.00 0.00 0.00 174.94 173.96 2dnq s ILE 34 N 2.21 0.16 -1.33 2.92 1.01 0.29 -4.91 121.20 121.55 2dnq s ILE 34 Ca 0.07 -1.33 -0.12 0.00 0.00 0.00 0.00 60.65 59.26 2dnq s ILE 34 Cb -0.16 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.05 2dnq s ILE 34 CO -0.23 -0.73 0.48 0.29 0.00 0.00 0.00 174.94 174.74 2dnq n LYS 35 N 0.21 -1.71 -2.01 2.79 5.02 -1.26 0.92 118.16 122.12 2dnq n LYS 35 Ca -0.16 0.29 -0.08 0.00 -2.02 0.00 0.00 58.31 56.33 2dnq n LYS 35 Cb 0.61 -3.83 -0.02 0.00 -0.02 0.00 0.00 35.03 31.78 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 -2.72 -2.68 -4.08 4.39 3.02 -1.26 -4.89 115.26 107.04 2dnq n ASN 36 Ca -0.22 0.26 -0.10 0.00 -0.03 0.00 0.00 54.58 54.48 2dnq n ASN 36 Cb 0.64 -2.44 -0.11 0.00 -0.61 0.00 0.00 39.78 37.26 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 -2.15 0.63 0.01 3.10 -0.85 0.26 -3.33 117.35 115.02 2dnq s TYR 37 Ca 0.00 -0.73 0.01 0.00 -0.52 0.00 0.00 57.07 55.84 2dnq s TYR 37 Cb 0.00 -0.39 -0.01 0.00 0.38 0.00 0.00 41.96 41.94 2dnq s TYR 37 CO 0.00 -0.18 -0.05 0.20 -1.52 0.00 0.00 175.55 174.01 2dnq s GLY 38 N -2.22 0.27 -0.14 5.49 0.00 0.85 0.10 107.32 111.67 2dnq s GLY 38 Ca -0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 44.72 44.37 2dnq s GLY 38 CO -0.03 -0.33 -0.13 -1.36 0.00 0.00 0.00 173.10 171.26 2dnq s PHE 39 N -0.47 2.82 -0.08 1.90 0.08 -0.48 -0.94 117.98 120.81 2dnq s PHE 39 Ca -0.02 -0.73 0.03 0.00 0.12 0.00 0.00 56.93 56.33 2dnq s PHE 39 Cb -0.04 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2dnq s PHE 39 CO -0.00 -0.28 -0.17 0.08 -0.10 0.00 0.00 175.22 174.75 2dnq s VAL 40 N 0.53 1.52 -0.24 -0.44 1.01 -0.78 -2.06 120.40 119.93 2dnq s VAL 40 Ca -0.08 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 2dnq s VAL 40 Cb -0.16 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 2dnq s VAL 40 CO 0.04 0.44 0.01 -1.00 0.00 0.00 0.00 175.10 174.59 2dnq s HIS 41 N 0.55 3.03 0.49 5.22 3.76 -0.90 0.35 115.29 127.80 2dnq s HIS 41 Ca -0.16 -0.81 0.01 0.00 -0.15 0.00 0.00 55.06 53.95 2dnq s HIS 41 Cb -0.17 -2.17 0.01 0.00 1.11 0.00 0.00 32.58 31.37 2dnq s HIS 41 CO 0.06 -0.50 0.71 -1.50 -0.85 0.00 0.00 174.74 172.65 2dnq s ILE 42 N 1.52 3.33 0.00 0.60 2.07 -0.89 -0.60 121.20 127.23 2dnq s ILE 42 Ca 0.05 -0.61 0.00 0.00 -1.41 0.00 0.00 60.65 58.68 2dnq s ILE 42 Cb -0.15 -3.23 0.00 0.00 0.13 0.00 0.00 42.46 39.21 2dnq s ILE 42 CO -0.00 -0.16 0.51 1.21 -1.91 0.00 0.00 174.94 174.59 2dnq n GLU 43 N -2.18 0.00 -3.31 3.50 4.07 -0.94 -2.49 120.64 119.28 2dnq n GLU 43 Ca 0.05 0.25 -0.19 0.00 -0.06 0.00 0.00 57.16 57.20 2dnq n GLU 43 Cb 0.59 -1.09 0.00 0.00 -0.06 0.00 0.00 31.44 30.88 2dnq n GLU 43 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2dnq s ASP 44 N -2.00 5.89 -0.02 4.31 2.15 -1.26 -2.96 116.67 122.78 2dnq s ASP 44 Ca 0.00 -0.13 -0.20 0.00 0.43 0.00 0.00 52.55 52.66 2dnq s ASP 44 Cb 0.00 -1.21 -0.11 0.00 -0.30 0.00 0.00 42.92 41.30 2dnq s ASP 44 CO 0.00 -0.54 0.82 0.50 -0.17 0.00 0.00 175.17 175.78 2dnq h LYS 45 N 0.75 -0.65 -1.39 4.34 3.64 -1.91 -3.10 116.57 118.26 2dnq h LYS 45 Ca -0.45 0.04 0.44 0.00 -1.27 0.00 0.00 60.65 59.41 2dnq h LYS 45 Cb 1.26 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 33.12 2dnq h LYS 45 CO 0.53 -0.41 0.93 1.15 -2.27 0.00 0.00 179.45 179.37 2dnq h THR 46 N -1.16 0.16 -0.41 1.00 2.02 -1.97 1.26 112.91 113.81 2dnq h THR 46 Ca -0.07 -0.03 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 2dnq h THR 46 Cb 0.53 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2dnq h THR 46 CO 0.11 0.02 -0.21 0.00 0.37 0.00 0.00 175.52 175.81 2dnq h ALA 47 N 1.49 0.86 0.16 6.16 0.00 -1.82 -3.15 119.26 122.97 2dnq h ALA 47 Ca 0.80 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 55.36 2dnq h ALA 47 Cb 2.66 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 20.26 2dnq h ALA 47 CO -0.31 0.63 -0.26 0.00 0.00 0.00 0.00 179.25 179.31 2dnq h ALA 48 N 1.06 -0.48 -0.21 0.00 0.00 0.17 -2.32 119.26 117.48 2dnq h ALA 48 Ca 0.10 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2dnq h ALA 48 Cb 0.72 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2dnq h ALA 48 CO 0.06 -0.81 -0.46 0.93 0.00 0.00 0.00 179.25 178.97 2dnq h GLU 49 N -0.50 -0.45 -0.60 0.00 5.08 -1.53 0.11 114.58 116.70 2dnq h GLU 49 Ca 0.02 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.51 2dnq h GLU 49 Cb 0.50 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.74 2dnq h GLU 49 CO -0.12 -0.30 -0.35 -0.44 -1.00 0.00 0.00 179.01 176.79 2dnq h ASP 50 N -0.47 -1.23 0.67 1.42 5.19 -1.48 0.14 116.42 120.65 2dnq h ASP 50 Ca 0.08 0.23 -0.03 0.00 -0.62 0.00 0.00 57.03 56.69 2dnq h ASP 50 Cb 0.63 0.60 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 2dnq h ASP 50 CO -0.46 -0.31 -0.41 0.00 -3.12 0.00 0.00 179.24 174.94 2dnq h ALA 51 N 0.94 -1.22 -0.57 3.45 0.00 -0.79 -3.01 119.26 118.06 2dnq h ALA 51 Ca 0.23 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2dnq h ALA 51 Cb 0.56 0.53 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 2dnq h ALA 51 CO -0.69 -1.18 -0.56 0.82 0.00 0.00 0.00 179.25 177.64 2dnq h ILE 52 N -1.01 0.00 0.00 0.00 2.04 -0.28 0.23 117.51 118.50 2dnq h ILE 52 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2dnq h ILE 52 Cb 0.81 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2dnq h ILE 52 CO 0.09 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.78 2dnq n ARG 53 N -5.35 0.00 0.08 2.37 3.00 0.43 0.61 116.66 117.80 2dnq n ARG 53 Ca -0.02 0.82 -0.03 0.00 -0.01 0.00 0.00 57.85 58.61 2dnq n ARG 53 Cb 0.32 -1.23 -0.02 0.00 0.00 0.00 0.00 32.46 31.53 2dnq n ARG 53 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2dnq h ASN 54 N 0.00 -0.20 -1.15 0.55 2.35 -1.32 -2.61 115.58 113.19 2dnq h ASN 54 Ca 0.00 0.01 0.37 0.00 -0.55 0.00 0.00 56.30 56.13 2dnq h ASN 54 Cb 0.00 0.05 -0.09 0.00 0.05 0.00 0.00 38.32 38.34 2dnq h ASN 54 CO 0.00 -0.13 0.78 0.18 -1.65 0.00 0.00 177.43 176.61 2dnq n LEU 55 N -2.64 0.10 -4.67 1.61 4.77 0.79 -4.36 117.00 112.60 2dnq n LEU 55 Ca -0.03 0.90 -0.49 0.00 -0.03 0.00 0.00 56.01 56.36 2dnq n LEU 55 Cb 0.09 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.68 2dnq n LEU 55 CO 0.06 -0.96 1.26 1.57 -1.33 0.00 0.00 177.39 178.00 2dnq n HIS 56 N -3.86 2.14 -3.34 -1.77 -0.00 0.20 -0.85 115.22 107.74 2dnq n HIS 56 Ca 0.30 0.27 -0.23 0.00 0.46 0.00 0.00 57.72 58.52 2dnq n HIS 56 Cb 1.25 -2.54 0.06 0.00 -0.12 0.00 0.00 29.99 28.64 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 4.56 -2.48 -2.68 1.57 8.25 -0.89 -4.92 115.22 118.62 2dnq n HIS 57 Ca 0.20 0.80 -0.42 0.00 -0.26 0.00 0.00 57.72 58.04 2dnq n HIS 57 Cb 0.26 -4.81 -0.03 0.00 1.12 0.00 0.00 29.99 26.52 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 -3.26 2.61 -0.80 4.41 6.14 -0.03 -4.85 117.35 121.58 2dnq s TYR 58 Ca 0.46 0.10 -0.26 0.00 0.64 0.00 0.00 57.07 58.01 2dnq s TYR 58 Cb -0.20 -4.37 -0.17 0.00 0.42 0.00 0.00 41.96 37.63 2dnq s TYR 58 CO 0.57 -1.61 2.52 1.17 0.64 0.00 0.00 175.55 178.84 2dnq n LYS 59 N 8.23 0.43 -4.04 4.97 4.81 -1.25 -4.17 118.16 127.14 2dnq n LYS 59 Ca 0.04 -0.08 -0.33 0.00 -0.87 0.00 0.00 58.31 57.08 2dnq n LYS 59 Cb 0.48 -2.35 -0.15 0.00 0.02 0.00 0.00 35.03 33.04 2dnq n LYS 59 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2dnq s LEU 60 N 9.76 3.37 -1.51 3.14 2.96 0.00 -4.67 118.68 131.73 2dnq s LEU 60 Ca 1.18 -1.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 2dnq s LEU 60 Cb -0.72 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 44.39 2dnq s LEU 60 CO 0.38 -0.18 0.62 1.41 -1.32 0.00 0.00 176.35 177.26 2dnq n HIS 61 N 4.51 -1.95 -2.25 5.38 8.25 -1.26 -1.92 115.22 125.97 2dnq n HIS 61 Ca -0.15 0.53 -0.07 0.00 -0.26 0.00 0.00 57.72 57.77 2dnq n HIS 61 Cb 0.44 -4.44 0.00 0.00 1.12 0.00 0.00 29.99 27.11 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 -1.53 0.15 3.08 -1.41 0.00 -1.26 -5.04 105.19 99.18 2dnq n GLY 62 Ca -0.11 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.47 0.51 -0.97 1.61 0.11 -0.81 -5.09 120.40 113.29 2dnq s VAL 63 Ca 0.03 -1.31 -0.03 0.00 -2.93 0.00 0.00 61.98 57.74 2dnq s VAL 63 Cb -0.01 -0.88 0.25 0.00 -1.53 0.00 0.00 36.38 34.21 2dnq s VAL 63 CO 0.04 -0.55 0.99 0.59 -3.33 0.00 0.00 175.10 172.84 2dnq n ASN 64 N 1.04 4.89 -4.66 3.54 4.13 -1.26 -0.82 115.26 122.12 2dnq n ASN 64 Ca -0.20 -3.18 -0.40 0.00 1.68 0.00 0.00 54.58 52.48 2dnq n ASN 64 Cb 0.56 -1.14 0.02 0.00 -1.54 0.00 0.00 39.78 37.68 2dnq n ASN 64 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2dnq n ILE 65 N 2.12 2.87 -4.09 2.41 -5.35 -1.26 -4.77 119.36 111.29 2dnq n ILE 65 Ca 0.24 -0.50 -0.35 0.00 -0.27 0.00 0.00 62.75 61.87 2dnq n ILE 65 Cb 0.37 -1.35 -0.09 0.00 -1.74 0.00 0.00 39.64 36.83 2dnq n ILE 65 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2dnq s ASN 66 N -0.78 5.68 -0.03 7.28 0.01 -0.61 -2.10 114.94 124.39 2dnq s ASN 66 Ca 0.66 0.19 0.06 0.00 -0.71 0.00 0.00 52.86 53.05 2dnq s ASN 66 Cb -0.50 -1.84 -0.01 0.00 0.41 0.00 0.00 41.25 39.31 2dnq s ASN 66 CO 0.54 0.29 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.54 2dnq s VAL 67 N -0.35 1.62 -0.10 1.60 1.01 -1.26 -1.71 120.40 121.22 2dnq s VAL 67 Ca 0.09 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 2dnq s VAL 67 Cb -0.12 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.92 2dnq s VAL 67 CO 0.02 0.46 0.25 -1.61 0.00 0.00 0.00 175.10 174.22 2dnq s GLU 68 N -0.24 0.27 -0.87 2.72 2.02 -0.72 -4.92 118.70 116.96 2dnq s GLU 68 Ca 0.02 0.40 -0.25 0.00 0.02 0.00 0.00 54.97 55.16 2dnq s GLU 68 Cb -0.10 0.07 -0.05 0.00 0.10 0.00 0.00 34.13 34.14 2dnq s GLU 68 CO 0.01 -0.07 1.97 0.00 0.02 0.00 0.00 175.26 177.19 2dnq s ALA 69 N 0.46 1.64 0.11 5.21 0.00 -1.26 -1.97 121.76 125.94 2dnq s ALA 69 Ca -0.03 -1.37 -0.22 0.00 0.00 0.00 0.00 51.96 50.34 2dnq s ALA 69 Cb -0.04 -4.53 -0.06 0.00 0.00 0.00 0.00 23.12 18.48 2dnq s ALA 69 CO -0.02 -4.81 1.38 1.03 0.00 0.00 0.00 175.76 173.34 2dnq h SER 70 N 11.77 -1.45 -2.13 0.00 0.87 -1.89 -3.25 113.55 117.47 2dnq h SER 70 Ca 0.06 0.21 -0.59 0.00 -1.23 0.00 0.00 61.79 60.24 2dnq h SER 70 Cb 1.02 0.63 -0.11 0.00 -0.44 0.00 0.00 62.40 63.50 2dnq h SER 70 CO 1.20 -0.21 1.02 -0.75 -0.53 0.00 0.00 176.83 177.56 2dnq s LYS 71 N -4.80 3.31 0.64 2.24 2.20 -1.25 -5.01 119.74 117.07 2dnq s LYS 71 Ca -0.09 -0.76 -0.16 0.00 -0.36 0.00 0.00 55.97 54.61 2dnq s LYS 71 Cb 0.07 -4.56 -0.01 0.00 -1.51 0.00 0.00 37.83 31.82 2dnq s LYS 71 CO 0.44 -2.05 1.11 0.54 -0.36 0.00 0.00 175.35 175.03 2dnq s ASN 72 N 4.02 5.19 0.93 1.43 2.20 -1.23 -4.99 114.94 122.49 2dnq s ASN 72 Ca 0.34 2.03 -0.11 0.00 -0.94 0.00 0.00 52.86 54.18 2dnq s ASN 72 Cb -0.08 -2.56 0.15 0.00 -2.00 0.00 0.00 41.25 36.77 2dnq s ASN 72 CO 0.05 -1.58 1.09 -0.54 -2.94 0.00 0.00 177.10 173.18 2dnq s LYS 73 N -3.98 0.95 -0.02 3.55 1.02 -1.26 -5.06 119.74 114.93 2dnq s LYS 73 Ca 0.68 0.91 0.01 0.00 0.02 0.00 0.00 55.97 57.59 2dnq s LYS 73 Cb -0.21 -1.77 0.01 0.00 -0.52 0.00 0.00 37.83 35.35 2dnq s LYS 73 CO 0.39 -2.48 -0.04 -1.54 -0.92 0.00 0.00 175.35 170.77 2dnq s SER 74 N -3.21 0.65 -0.12 2.83 1.04 -1.26 -5.14 113.70 108.48 2dnq s SER 74 Ca 0.64 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.99 2dnq s SER 74 Cb -0.19 -0.23 -0.01 0.00 0.10 0.00 0.00 66.02 65.68 2dnq s SER 74 CO 0.58 -0.02 -0.15 -0.75 0.98 0.00 0.00 173.24 173.89 2dnq s LYS 75 N 0.50 3.29 -0.26 4.02 2.20 -1.26 -5.08 119.74 123.15 2dnq s LYS 75 Ca -0.06 -0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 54.55 2dnq s LYS 75 Cb -0.09 -2.57 -0.01 0.00 -1.51 0.00 0.00 37.83 33.65 2dnq s LYS 75 CO -0.00 0.23 1.35 0.00 -0.36 0.00 0.00 175.35 176.57 2dnq s ALA 76 N 0.28 3.41 -0.13 3.13 0.00 -1.26 -4.91 121.76 122.28 2dnq s ALA 76 Ca -0.11 0.25 -0.07 0.00 0.00 0.00 0.00 51.96 52.03 2dnq s ALA 76 Cb -0.16 -3.76 -0.02 0.00 0.00 0.00 0.00 23.12 19.18 2dnq s ALA 76 CO 0.06 -1.68 -0.14 1.03 0.00 0.00 0.00 175.76 175.04 2dnq h SER 77 N 9.32 0.00 -2.85 0.00 0.87 -2.02 -3.47 113.55 115.41 2dnq h SER 77 Ca -0.28 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 59.76 2dnq h SER 77 Cb 1.11 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 63.12 2dnq h SER 77 CO 1.01 0.69 0.90 -0.44 -0.53 0.00 0.00 176.83 178.47 2dnq s SER 78 N -5.67 6.53 0.14 6.23 0.01 -1.26 -4.70 113.70 114.98 2dnq s SER 78 Ca -0.11 2.69 0.00 0.00 1.31 0.00 0.00 55.95 59.84 2dnq s SER 78 Cb 0.02 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2dnq s SER 78 CO 0.17 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.57 2dnq n GLY 79 N 3.64 -3.22 0.00 3.44 0.00 -1.26 -4.63 105.19 103.15 2dnq n GLY 79 Ca 0.14 -1.14 0.11 0.00 0.00 0.00 0.00 46.02 45.12 2dnq n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dnq n PRO 80 N -1.48 0.86 -4.01 1.61 -0.04 -1.26 -4.88 135.00 125.80 2dnq n PRO 80 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2dnq n PRO 80 Cb 0.08 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 2dnq n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dnq n SER 81 N -0.88 -3.44 -0.03 3.54 2.88 -1.26 -4.86 113.62 109.56 2dnq n SER 81 Ca 0.16 -0.89 -0.09 0.00 -1.33 0.00 0.00 58.87 56.71 2dnq n SER 81 Cb 0.07 -3.41 -0.03 0.00 -0.75 0.00 0.00 64.21 60.09 2dnq n SER 81 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dnq h SER 82 N -1.84 0.03 0.00 -3.46 0.02 -1.99 -3.54 113.55 102.76 2dnq h SER 82 Ca -0.59 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2dnq h SER 82 Cb 1.38 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2dnq h SER 82 CO 0.70 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 177.04