#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnq s SER -5 N 0.00 4.57 0.05 1.61 0.15 -1.26 -5.06 113.70 113.77 2dnq s SER -5 Ca 0.00 2.09 -0.09 0.00 0.70 0.00 0.00 55.95 58.65 2dnq s SER -5 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2dnq s SER -5 CO 0.00 -2.00 0.19 -0.94 1.20 0.00 0.00 173.24 171.69 2dnq s SER -4 N -2.55 0.07 0.00 5.45 1.04 -1.26 -5.10 113.70 111.35 2dnq s SER -4 Ca 0.68 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2dnq s SER -4 Cb -0.23 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2dnq s SER -4 CO 0.46 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2dnq n GLY -3 N 0.49 -1.78 2.96 7.32 0.00 -1.26 -5.17 105.19 107.74 2dnq n GLY -3 Ca -0.18 0.75 -0.15 0.00 0.00 0.00 0.00 46.02 46.45 2dnq n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dnq s SER -2 N 0.00 0.53 -0.25 1.61 1.04 -1.26 -5.12 113.70 110.25 2dnq s SER -2 Ca 0.00 -0.16 -0.27 0.00 0.48 0.00 0.00 55.95 56.01 2dnq s SER -2 Cb 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2dnq s SER -2 CO 0.00 0.00 0.93 -0.55 0.98 0.00 0.00 173.24 174.60 2dnq s SER -1 N -0.35 6.93 0.00 7.02 0.15 -1.26 -4.79 113.70 121.39 2dnq s SER -1 Ca -0.01 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.77 2dnq s SER -1 Cb -0.03 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2dnq s SER -1 CO -0.00 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.43 2dnq n GLY 0 N 3.65 -0.48 3.77 9.45 0.00 -1.26 -5.14 105.19 115.16 2dnq n GLY 0 Ca 0.08 0.55 -0.34 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 3.03 -0.13 1.61 0.00 -1.20 -4.29 119.30 118.31 2dnq s MET 1 Ca 0.00 1.58 -0.00 0.00 0.00 0.00 0.00 55.69 57.26 2dnq s MET 1 Cb 0.00 -1.96 0.03 0.00 0.00 0.00 0.00 34.83 32.90 2dnq s MET 1 CO 0.00 -1.10 -0.07 0.08 0.00 0.00 0.00 175.02 173.93 2dnq s VAL 2 N -1.95 1.08 0.58 5.16 1.01 -0.66 -4.94 120.40 120.68 2dnq s VAL 2 Ca 0.72 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 2dnq s VAL 2 Cb -0.24 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2dnq s VAL 2 CO 0.34 0.29 1.10 -0.75 0.00 0.00 0.00 175.10 176.08 2dnq s LYS 3 N 1.67 3.21 -0.06 2.72 2.20 -1.26 -0.76 119.74 127.46 2dnq s LYS 3 Ca 0.03 1.44 -0.00 0.00 -0.36 0.00 0.00 55.97 57.09 2dnq s LYS 3 Cb -0.13 -2.00 0.03 0.00 -1.51 0.00 0.00 37.83 34.21 2dnq s LYS 3 CO -0.08 -0.93 -0.01 -0.51 -0.36 0.00 0.00 175.35 173.45 2dnq s LEU 4 N -4.24 0.92 -0.18 5.43 1.43 0.26 -3.88 118.68 118.42 2dnq s LEU 4 Ca 0.69 -0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 53.52 2dnq s LEU 4 Cb -0.21 -0.41 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 2dnq s LEU 4 CO 0.33 -0.13 0.49 0.12 0.23 0.00 0.00 176.35 177.38 2dnq s PHE 5 N 1.48 3.40 -0.13 0.29 2.19 -0.55 -1.13 117.98 123.53 2dnq s PHE 5 Ca -0.03 0.77 -0.00 0.00 0.33 0.00 0.00 56.93 58.00 2dnq s PHE 5 Cb -0.13 -2.62 0.03 0.00 -1.31 0.00 0.00 43.02 38.99 2dnq s PHE 5 CO -0.03 -0.02 -0.10 0.42 1.83 0.00 0.00 175.22 177.32 2dnq s ILE 6 N 1.35 1.23 0.44 3.12 1.01 -0.09 -1.47 121.20 126.80 2dnq s ILE 6 Ca 0.24 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.49 2dnq s ILE 6 Cb -0.15 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 2dnq s ILE 6 CO 0.09 0.37 0.10 -0.83 0.00 0.00 0.00 174.94 174.67 2dnq s GLY 7 N 1.62 2.54 -0.83 6.18 0.00 -0.72 0.07 107.32 116.17 2dnq s GLY 7 Ca 0.04 -1.79 -0.03 0.00 0.00 0.00 0.00 44.72 42.94 2dnq s GLY 7 CO -0.09 -2.04 0.72 -2.01 0.00 0.00 0.00 173.10 169.68 2dnq n ASN 8 N -1.18 -3.61 -4.84 1.64 5.15 -1.18 -1.71 115.26 109.53 2dnq n ASN 8 Ca -0.06 -0.37 -0.37 0.00 -0.60 0.00 0.00 54.58 53.18 2dnq n ASN 8 Cb 0.66 -3.46 -0.06 0.00 -0.53 0.00 0.00 39.78 36.39 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 -4.97 4.41 0.00 1.20 1.43 -1.20 -4.28 118.68 115.27 2dnq s LEU 9 Ca 0.21 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 2dnq s LEU 9 Cb -0.09 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.10 2dnq s LEU 9 CO 0.47 0.19 0.00 -0.81 0.23 0.00 0.00 176.35 176.44 2dnq n PRO 10 N 1.23 0.44 -0.05 1.29 -0.04 -1.26 -4.88 135.00 131.73 2dnq n PRO 10 Ca -0.08 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.30 2dnq n PRO 10 Cb 0.52 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.65 0.17 0.54 3.00 -1.26 -4.15 116.66 115.08 2dnq n ARG 11 Ca 0.00 0.15 0.04 0.00 -0.00 0.00 0.00 57.85 58.04 2dnq n ARG 11 Cb 0.00 -1.68 0.23 0.00 0.00 0.00 0.00 32.46 31.02 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 -6.56 -0.14 4.39 -1.97 -3.45 114.58 106.85 2dnq h GLU 12 Ca -0.37 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 58.74 2dnq h GLU 12 Cb 2.03 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 30.77 2dnq h GLU 12 CO 0.05 0.44 0.55 0.00 -1.16 0.00 0.00 179.01 178.89 2dnq n ALA 13 N -2.28 0.83 -2.24 3.43 0.00 -1.26 -5.00 120.51 113.99 2dnq n ALA 13 Ca 0.00 0.42 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 2dnq n ALA 13 Cb 0.59 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.71 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 -0.16 1.10 0.43 0.00 -4.23 -1.26 -4.97 115.64 106.55 2dnq s THR 14 Ca 0.68 -2.05 0.20 0.00 -1.18 0.00 0.00 61.69 59.34 2dnq s THR 14 Cb -0.67 -1.86 0.40 0.00 1.34 0.00 0.00 72.50 71.71 2dnq s THR 14 CO 0.51 -0.74 1.85 -0.33 -0.54 0.00 0.00 174.62 175.37 2dnq h GLU 15 N 2.79 0.33 0.00 3.99 5.08 -1.94 -2.03 114.58 122.80 2dnq h GLU 15 Ca -0.36 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2dnq h GLU 15 Cb 1.19 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2dnq h GLU 15 CO 0.64 0.22 0.00 1.04 -1.00 0.00 0.00 179.01 179.91 2dnq n GLN 16 N -4.48 0.00 -0.25 2.33 6.02 -1.26 -0.56 117.38 119.17 2dnq n GLN 16 Ca 0.20 0.41 0.10 0.00 -0.01 0.00 0.00 57.00 57.69 2dnq n GLN 16 Cb 0.75 -1.12 0.19 0.00 1.02 0.00 0.00 30.24 31.09 2dnq n GLN 16 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2dnq n GLU 17 N -1.74 -0.06 -0.03 -1.09 4.71 -1.14 0.94 120.64 122.24 2dnq n GLU 17 Ca 0.00 1.10 -0.14 0.00 -0.01 0.00 0.00 57.16 58.12 2dnq n GLU 17 Cb 0.00 -1.73 -0.10 0.00 -1.01 0.00 0.00 31.44 28.60 2dnq n GLU 17 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2dnq h ILE 18 N 0.00 1.45 -0.57 -3.67 1.08 -1.47 -2.79 117.51 111.54 2dnq h ILE 18 Ca 0.43 -1.46 0.11 0.00 -0.39 0.00 0.00 64.86 63.55 2dnq h ILE 18 Cb 0.85 2.34 -0.09 0.00 -3.07 0.00 0.00 36.82 36.84 2dnq h ILE 18 CO -0.70 0.39 0.05 -0.09 -0.69 0.00 0.00 178.15 177.11 2dnq h ARG 19 N -0.43 0.16 0.03 2.37 1.12 0.31 -1.91 114.38 116.03 2dnq h ARG 19 Ca -0.00 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.86 2dnq h ARG 19 Cb 0.68 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 2dnq h ARG 19 CO 0.02 0.11 -0.01 1.03 -3.11 0.00 0.00 179.97 178.00 2dnq h SER 20 N 0.16 -0.03 -0.90 -3.80 0.87 -0.66 -1.78 113.55 107.41 2dnq h SER 20 Ca 0.29 -0.00 0.26 0.00 -1.23 0.00 0.00 61.79 61.11 2dnq h SER 20 Cb 0.45 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 2dnq h SER 20 CO -0.44 -0.02 1.07 -0.07 -0.53 0.00 0.00 176.83 176.84 2dnq h LEU 21 N -0.04 0.00 0.03 2.23 3.38 -1.05 1.25 115.31 121.11 2dnq h LEU 21 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2dnq h LEU 21 Cb 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2dnq h LEU 21 CO 0.01 0.00 -2.12 0.49 0.09 0.00 0.00 178.44 176.90 2dnq n PHE 22 N -3.32 0.57 0.27 1.13 3.72 -0.74 -4.11 117.46 114.98 2dnq n PHE 22 Ca 0.20 0.16 0.15 0.00 -0.05 0.00 0.00 57.45 57.92 2dnq n PHE 22 Cb 1.35 -1.09 0.81 0.00 -0.94 0.00 0.00 39.48 39.61 2dnq n PHE 22 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2dnq h GLU 23 N 0.02 0.00 0.00 -1.08 5.08 0.23 0.31 114.58 119.13 2dnq h GLU 23 Ca -0.45 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.79 2dnq h GLU 23 Cb 2.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.30 2dnq h GLU 23 CO 0.03 0.00 -0.58 1.96 -1.00 0.00 0.00 179.01 179.42 2dnq h GLN 24 N 0.00 0.00 0.00 2.33 4.20 -1.61 -3.27 115.11 116.76 2dnq h GLN 24 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dnq h GLN 24 Cb 0.33 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2dnq h GLN 24 CO 0.00 0.58 -0.19 0.66 -0.67 0.00 0.00 178.83 179.21 2dnq n TYR 25 N -3.34 0.00 0.00 2.96 4.02 0.93 -5.05 117.16 116.68 2dnq n TYR 25 Ca 0.01 -1.17 0.00 0.00 -0.01 0.00 0.00 57.90 56.73 2dnq n TYR 25 Cb 0.72 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 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 -1.31 4.90 3.77 2.72 0.00 -0.31 -4.42 105.19 110.54 2dnq n GLY 26 Ca 0.17 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 2dnq n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dnq s LYS 27 N -4.63 4.24 0.00 1.61 2.47 -1.26 -2.86 119.74 119.32 2dnq s LYS 27 Ca 0.00 2.30 -0.02 0.00 -1.56 0.00 0.00 55.97 56.68 2dnq s LYS 27 Cb 0.00 -3.00 -0.04 0.00 -1.46 0.00 0.00 37.83 33.32 2dnq s LYS 27 CO 0.00 -0.31 0.19 0.08 0.16 0.00 0.00 175.35 175.47 2dnq s VAL 28 N -1.15 5.42 -0.21 4.02 1.01 -1.26 -0.99 120.40 127.24 2dnq s VAL 28 Ca 0.51 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 2dnq s VAL 28 Cb -0.41 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 2dnq s VAL 28 CO 0.55 0.30 -0.30 0.18 0.00 0.00 0.00 175.10 175.83 2dnq n LEU 29 N 0.85 1.67 -4.20 3.92 4.77 0.71 -4.94 117.00 119.79 2dnq n LEU 29 Ca -0.10 0.29 -0.21 0.00 -0.03 0.00 0.00 56.01 55.96 2dnq n LEU 29 Cb 0.52 -0.68 -0.13 0.00 -2.33 0.00 0.00 43.42 40.81 2dnq n LEU 29 CO 0.45 0.30 -0.48 -0.70 -1.33 0.00 0.00 177.39 175.62 2dnq s GLU 30 N -2.50 0.99 -0.26 3.23 2.12 -1.24 -4.98 118.70 116.06 2dnq s GLU 30 Ca -0.31 -0.95 -0.02 0.00 0.36 0.00 0.00 54.97 54.06 2dnq s GLU 30 Cb 0.10 -1.07 0.15 0.00 0.26 0.00 0.00 34.13 33.57 2dnq s GLU 30 CO 0.40 0.25 0.43 0.00 -0.54 0.00 0.00 175.26 175.80 2dnq s ASP 32 N 2.61 1.53 -0.33 0.00 2.15 -0.90 -4.88 116.67 116.85 2dnq s ASP 32 Ca 0.14 -0.25 -0.03 0.00 0.43 0.00 0.00 52.55 52.84 2dnq s ASP 32 Cb -0.15 -0.65 0.06 0.00 -0.30 0.00 0.00 42.92 41.88 2dnq s ASP 32 CO -0.19 0.03 0.06 -0.63 -0.17 0.00 0.00 175.17 174.27 2dnq s ILE 33 N 0.59 3.20 0.07 4.11 1.01 -1.26 -0.60 121.20 128.31 2dnq s ILE 33 Ca -0.11 -1.48 -0.07 0.00 0.00 0.00 0.00 60.65 58.99 2dnq s ILE 33 Cb -0.14 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2dnq s ILE 33 CO 0.02 -0.24 0.13 -0.63 0.00 0.00 0.00 174.94 174.22 2dnq s ILE 34 N 1.26 0.16 -1.33 2.92 1.01 0.32 -4.91 121.20 120.63 2dnq s ILE 34 Ca -0.02 -1.30 -0.11 0.00 0.00 0.00 0.00 60.65 59.22 2dnq s ILE 34 Cb -0.20 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 40.97 2dnq s ILE 34 CO -0.01 -0.72 0.50 0.29 0.00 0.00 0.00 174.94 175.00 2dnq n LYS 35 N 0.12 -1.88 -1.86 2.79 5.02 -1.26 0.87 118.16 121.97 2dnq n LYS 35 Ca -0.15 0.31 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 2dnq n LYS 35 Cb 0.61 -3.94 -0.02 0.00 -0.02 0.00 0.00 35.03 31.67 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 -2.75 -2.77 -4.13 4.39 4.13 -1.26 -4.89 115.26 107.99 2dnq n ASN 36 Ca -0.22 0.25 -0.11 0.00 1.68 0.00 0.00 54.58 56.17 2dnq n ASN 36 Cb 0.64 -2.55 -0.10 0.00 -1.54 0.00 0.00 39.78 36.22 2dnq n ASN 36 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2dnq s TYR 37 N -2.11 0.78 -0.02 3.10 -0.85 0.25 -3.11 117.35 115.40 2dnq s TYR 37 Ca 0.00 -0.78 0.00 0.00 -0.52 0.00 0.00 57.07 55.78 2dnq s TYR 37 Cb 0.00 -0.46 0.02 0.00 0.38 0.00 0.00 41.96 41.90 2dnq s TYR 37 CO 0.00 -0.14 0.01 0.20 -1.52 0.00 0.00 175.55 174.10 2dnq s GLY 38 N -2.51 0.15 -0.22 5.49 0.00 0.11 0.12 107.32 110.46 2dnq s GLY 38 Ca 0.04 0.21 -0.07 0.00 0.00 0.00 0.00 44.72 44.90 2dnq s GLY 38 CO -0.03 0.55 0.05 -1.36 0.00 0.00 0.00 173.10 172.31 2dnq s PHE 39 N 0.90 3.12 -0.16 1.90 0.08 0.23 -0.91 117.98 123.14 2dnq s PHE 39 Ca -0.08 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.70 2dnq s PHE 39 Cb -0.12 -2.15 0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2dnq s PHE 39 CO -0.02 -0.17 -0.16 0.08 -0.10 0.00 0.00 175.22 174.85 2dnq s VAL 40 N 1.07 1.74 -0.65 -0.44 1.01 -0.29 -2.11 120.40 120.73 2dnq s VAL 40 Ca 0.04 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 2dnq s VAL 40 Cb -0.14 -1.60 0.16 0.00 0.00 0.00 0.00 36.38 34.80 2dnq s VAL 40 CO 0.03 0.49 0.59 -1.00 0.00 0.00 0.00 175.10 175.20 2dnq s HIS 41 N 1.38 3.46 0.93 5.22 3.76 -0.58 0.90 115.29 130.36 2dnq s HIS 41 Ca 0.04 -1.63 -0.12 0.00 -0.15 0.00 0.00 55.06 53.20 2dnq s HIS 41 Cb -0.13 -3.77 0.15 0.00 1.11 0.00 0.00 32.58 29.93 2dnq s HIS 41 CO -0.11 -1.00 1.10 -1.50 -0.85 0.00 0.00 174.74 172.39 2dnq s ILE 42 N 1.00 2.31 0.00 0.60 2.07 0.06 -0.20 121.20 127.04 2dnq s ILE 42 Ca 0.09 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 2dnq s ILE 42 Cb -0.22 -2.69 0.00 0.00 0.13 0.00 0.00 42.46 39.68 2dnq s ILE 42 CO -0.02 -0.13 0.58 1.21 -1.91 0.00 0.00 174.94 174.67 2dnq n GLU 43 N -3.91 0.00 -4.17 3.50 2.13 -0.16 -1.66 120.64 116.37 2dnq n GLU 43 Ca 0.06 0.25 -0.30 0.00 0.66 0.00 0.00 57.16 57.83 2dnq n GLU 43 Cb 0.57 -1.14 -0.09 0.00 0.27 0.00 0.00 31.44 31.06 2dnq n GLU 43 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 2dnq s ASP 44 N -2.00 4.80 0.16 4.31 -4.77 -1.26 -3.27 116.67 114.64 2dnq s ASP 44 Ca 0.00 -0.25 -0.19 0.00 -3.30 0.00 0.00 52.55 48.81 2dnq s ASP 44 Cb 0.00 -1.07 0.07 0.00 -1.09 0.00 0.00 42.92 40.83 2dnq s ASP 44 CO 0.00 0.18 1.65 0.50 0.70 0.00 0.00 175.17 178.20 2dnq h LYS 45 N 3.51 -0.11 -1.02 2.11 3.64 -1.89 -0.50 116.57 122.31 2dnq h LYS 45 Ca -0.48 0.01 0.27 0.00 -1.27 0.00 0.00 60.65 59.18 2dnq h LYS 45 Cb 1.17 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 2dnq h LYS 45 CO 0.57 -0.07 0.61 1.15 -2.27 0.00 0.00 179.45 179.44 2dnq h THR 46 N -0.11 0.48 0.00 1.00 2.02 -1.97 0.88 112.91 115.21 2dnq h THR 46 Ca 0.17 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2dnq h THR 46 Cb 0.37 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2dnq h THR 46 CO -0.40 0.09 -0.19 0.00 0.37 0.00 0.00 175.52 175.39 2dnq h ALA 47 N 1.73 1.48 0.22 6.16 0.00 -1.32 -3.03 119.26 124.49 2dnq h ALA 47 Ca 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 2dnq h ALA 47 Cb 1.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2dnq h ALA 47 CO -0.46 0.24 -0.10 0.00 0.00 0.00 0.00 179.25 178.92 2dnq h ALA 48 N 1.81 -0.42 -1.44 0.00 0.00 0.98 -3.07 119.26 117.13 2dnq h ALA 48 Ca -0.00 -0.06 0.47 0.00 0.00 0.00 0.00 54.91 55.32 2dnq h ALA 48 Cb 0.38 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.16 2dnq h ALA 48 CO 0.02 -0.40 0.95 1.49 0.00 0.00 0.00 179.25 181.32 2dnq h GLU 49 N -0.71 0.03 0.09 0.00 4.22 -1.47 0.72 114.58 117.46 2dnq h GLU 49 Ca -0.03 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 2dnq h GLU 49 Cb 0.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2dnq h GLU 49 CO 0.05 0.02 -0.04 -0.44 -2.18 0.00 0.00 179.01 176.42 2dnq h ASP 50 N 0.04 -0.10 0.28 1.04 5.19 -1.58 -2.86 116.42 118.42 2dnq h ASP 50 Ca 0.86 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 57.02 2dnq h ASP 50 Cb 2.86 0.03 0.00 0.00 0.18 0.00 0.00 39.33 42.40 2dnq h ASP 50 CO -0.38 0.19 -0.13 0.00 -3.12 0.00 0.00 179.24 175.79 2dnq h ALA 51 N 0.49 -0.37 -0.68 3.45 0.00 0.29 -3.30 119.26 119.13 2dnq h ALA 51 Ca -0.01 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2dnq h ALA 51 Cb 0.33 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 2dnq h ALA 51 CO 0.02 -0.35 -0.40 -0.89 0.00 0.00 0.00 179.25 177.63 2dnq n ILE 52 N -5.02 -0.46 -0.39 0.00 5.41 0.14 -0.30 119.36 118.73 2dnq n ILE 52 Ca -0.05 1.80 -0.10 0.00 1.00 0.00 0.00 62.75 65.40 2dnq n ILE 52 Cb 0.15 -2.24 -0.08 0.00 -0.71 0.00 0.00 39.64 36.77 2dnq n ILE 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2dnq h ARG 53 N 0.00 -0.04 0.00 0.38 2.43 -1.65 0.38 114.38 115.88 2dnq h ARG 53 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2dnq h ARG 53 Cb 0.28 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2dnq h ARG 53 CO -0.64 -0.03 0.00 0.09 -1.51 0.00 0.00 179.97 177.88 2dnq n ASN 54 N -5.29 0.00 -0.24 -3.80 3.02 0.58 -3.05 115.26 106.49 2dnq n ASN 54 Ca 0.03 0.81 0.23 0.00 -0.03 0.00 0.00 54.58 55.62 2dnq n ASN 54 Cb 0.29 -0.40 0.41 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.69 0.22 -4.68 3.41 4.77 0.51 -4.40 117.00 115.14 2dnq n LEU 55 Ca 0.00 1.09 -0.59 0.00 -0.03 0.00 0.00 56.01 56.48 2dnq n LEU 55 Cb 0.00 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 2dnq n LEU 55 CO 0.00 -1.22 1.13 1.57 -1.33 0.00 0.00 177.39 177.54 2dnq n HIS 56 N -4.44 1.73 -3.01 -1.77 -0.00 0.13 0.49 115.22 108.36 2dnq n HIS 56 Ca 0.26 0.77 -0.19 0.00 0.46 0.00 0.00 57.72 59.02 2dnq n HIS 56 Cb 0.92 -2.34 0.04 0.00 -0.12 0.00 0.00 29.99 28.49 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 4.11 -1.83 -2.87 1.57 8.25 -1.08 -4.98 115.22 118.40 2dnq n HIS 57 Ca 0.26 0.53 -0.34 0.00 -0.26 0.00 0.00 57.72 57.91 2dnq n HIS 57 Cb 0.09 -4.08 -0.07 0.00 1.12 0.00 0.00 29.99 27.05 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 -3.12 3.38 -0.62 4.41 6.14 0.18 -4.81 117.35 122.91 2dnq s TYR 58 Ca 0.31 1.57 -0.22 0.00 0.64 0.00 0.00 57.07 59.38 2dnq s TYR 58 Cb -0.14 -2.81 0.07 0.00 0.42 0.00 0.00 41.96 39.51 2dnq s TYR 58 CO 0.38 -0.03 0.87 0.21 0.64 0.00 0.00 175.55 177.63 2dnq s LYS 59 N -2.97 3.12 -0.34 4.97 2.20 -1.25 -2.84 119.74 122.63 2dnq s LYS 59 Ca 0.59 -0.90 0.04 0.00 -0.36 0.00 0.00 55.97 55.33 2dnq s LYS 59 Cb -0.11 -4.21 0.10 0.00 -1.51 0.00 0.00 37.83 32.10 2dnq s LYS 59 CO 0.15 -1.67 0.06 -1.17 -0.36 0.00 0.00 175.35 172.36 2dnq s LEU 60 N 3.60 4.57 -0.60 5.43 2.96 -0.23 -4.71 118.68 129.70 2dnq s LEU 60 Ca 0.20 -2.13 -0.04 0.00 -0.22 0.00 0.00 54.13 51.94 2dnq s LEU 60 Cb -0.18 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 44.94 2dnq s LEU 60 CO 0.10 -0.38 0.49 1.41 -1.32 0.00 0.00 176.35 176.65 2dnq n HIS 61 N 4.28 -1.21 -2.39 5.38 8.25 -1.26 -3.20 115.22 125.08 2dnq n HIS 61 Ca 0.04 0.42 -0.11 0.00 -0.26 0.00 0.00 57.72 57.80 2dnq n HIS 61 Cb 0.42 -2.73 0.00 0.00 1.12 0.00 0.00 29.99 28.81 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 -1.15 -0.02 3.00 -1.41 0.00 -1.26 -5.03 105.19 99.33 2dnq n GLY 62 Ca -0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.67 0.26 -0.88 1.61 0.11 -1.19 -5.10 120.40 112.53 2dnq s VAL 63 Ca 0.06 -0.94 -0.05 0.00 -2.93 0.00 0.00 61.98 58.13 2dnq s VAL 63 Cb -0.03 -0.37 0.22 0.00 -1.53 0.00 0.00 36.38 34.67 2dnq s VAL 63 CO 0.08 -0.44 0.78 0.20 -3.33 0.00 0.00 175.10 172.39 2dnq s ASN 64 N -1.45 6.23 1.25 3.54 -0.87 -1.26 -1.07 114.94 121.32 2dnq s ASN 64 Ca -0.13 -3.37 -0.17 0.00 -1.57 0.00 0.00 52.86 47.62 2dnq s ASN 64 Cb -0.10 -2.01 0.29 0.00 -0.02 0.00 0.00 41.25 39.42 2dnq s ASN 64 CO -0.00 -0.30 0.78 2.30 -2.57 0.00 0.00 177.10 177.31 2dnq n ILE 65 N 2.89 0.00 -4.42 0.60 -5.35 -1.13 -4.80 119.36 107.15 2dnq n ILE 65 Ca 0.18 -0.33 -0.24 0.00 -0.27 0.00 0.00 62.75 62.09 2dnq n ILE 65 Cb 0.39 -0.91 -0.17 0.00 -1.74 0.00 0.00 39.64 37.22 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 -2.44 1.72 -0.12 7.28 0.01 -0.70 -2.62 114.94 118.06 2dnq s ASN 66 Ca 0.65 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 52.53 2dnq s ASN 66 Cb -0.19 -0.77 -0.01 0.00 0.41 0.00 0.00 41.25 40.68 2dnq s ASN 66 CO 0.62 -0.00 -0.15 -0.69 -1.51 0.00 0.00 177.10 175.37 2dnq s VAL 67 N 0.86 2.88 -0.15 1.60 1.01 -1.26 -1.75 120.40 123.59 2dnq s VAL 67 Ca -0.11 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 2dnq s VAL 67 Cb -0.15 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.08 2dnq s VAL 67 CO 0.01 0.53 0.40 -1.83 0.00 0.00 0.00 175.10 174.21 2dnq s GLU 68 N 0.35 0.44 0.63 2.72 -1.05 -0.54 -4.86 118.70 116.39 2dnq s GLU 68 Ca -0.12 0.61 -0.18 0.00 -0.15 0.00 0.00 54.97 55.13 2dnq s GLU 68 Cb -0.16 0.15 -0.01 0.00 -0.44 0.00 0.00 34.13 33.66 2dnq s GLU 68 CO 0.06 -0.09 1.21 0.00 0.95 0.00 0.00 175.26 177.40 2dnq s ALA 69 N 0.55 2.43 -0.10 -0.84 0.00 -1.26 -1.48 121.76 121.05 2dnq s ALA 69 Ca -0.03 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 2dnq s ALA 69 Cb -0.04 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2dnq s ALA 69 CO -0.03 -1.37 -0.22 0.43 0.00 0.00 0.00 175.76 174.57 2dnq n SER 70 N -1.92 1.30 -4.52 0.00 7.64 -1.25 -4.73 113.62 110.14 2dnq n SER 70 Ca 0.14 0.22 -0.42 0.00 1.01 0.00 0.00 58.87 59.82 2dnq n SER 70 Cb 0.50 -0.62 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 2dnq n SER 70 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2dnq n LYS 71 N -3.81 3.04 -3.65 1.43 0.00 -1.26 -4.94 118.16 108.97 2dnq n LYS 71 Ca -0.09 -3.16 -0.37 0.00 0.00 0.00 0.00 58.31 54.69 2dnq n LYS 71 Cb 0.32 -3.50 -0.10 0.00 0.00 0.00 0.00 35.03 31.75 2dnq n LYS 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2dnq s ASN 72 N 4.34 6.08 -0.11 3.14 4.22 -1.26 -5.02 114.94 126.33 2dnq s ASN 72 Ca 0.55 0.08 0.00 0.00 -2.14 0.00 0.00 52.86 51.35 2dnq s ASN 72 Cb 0.04 -2.11 0.02 0.00 1.28 0.00 0.00 41.25 40.49 2dnq s ASN 72 CO 0.07 0.04 -0.10 -0.75 -2.04 0.00 0.00 177.10 174.32 2dnq s LYS 73 N 1.24 1.70 0.06 3.55 2.20 -1.26 -5.11 119.74 122.12 2dnq s LYS 73 Ca 0.07 -0.34 -0.31 0.00 -0.36 0.00 0.00 55.97 55.03 2dnq s LYS 73 Cb -0.14 -1.63 -0.08 0.00 -1.51 0.00 0.00 37.83 34.47 2dnq s LYS 73 CO 0.06 -0.19 1.57 0.45 -0.36 0.00 0.00 175.35 176.88 2dnq s SER 74 N 1.41 6.68 -0.05 1.43 0.15 -1.26 -4.94 113.70 117.12 2dnq s SER 74 Ca 0.00 2.40 -0.30 0.00 0.70 0.00 0.00 55.95 58.75 2dnq s SER 74 Cb -0.13 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 2dnq s SER 74 CO -0.06 -0.83 1.59 -0.75 1.20 0.00 0.00 173.24 174.40 2dnq s LYS 75 N 2.35 4.20 0.36 5.44 2.20 -1.26 -5.00 119.74 128.04 2dnq s LYS 75 Ca 0.70 2.13 0.04 0.00 -0.36 0.00 0.00 55.97 58.48 2dnq s LYS 75 Cb -0.38 -3.89 -0.05 0.00 -1.51 0.00 0.00 37.83 32.01 2dnq s LYS 75 CO 0.31 -0.79 0.08 0.00 -0.36 0.00 0.00 175.35 174.58 2dnq s ALA 76 N 3.69 2.65 -0.24 3.13 0.00 -1.26 -5.13 121.76 124.60 2dnq s ALA 76 Ca 0.71 -1.69 -0.18 0.00 0.00 0.00 0.00 51.96 50.79 2dnq s ALA 76 Cb -0.32 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 2dnq s ALA 76 CO 0.28 -0.30 0.50 0.45 0.00 0.00 0.00 175.76 176.69 2dnq s SER 77 N -3.55 6.46 -0.03 0.00 0.15 -1.26 -5.06 113.70 110.41 2dnq s SER 77 Ca 0.31 0.55 0.01 0.00 0.70 0.00 0.00 55.95 57.52 2dnq s SER 77 Cb 0.06 -2.28 0.01 0.00 -1.71 0.00 0.00 66.02 62.11 2dnq s SER 77 CO 0.14 -0.24 -0.05 -0.44 1.20 0.00 0.00 173.24 173.85 2dnq s SER 78 N 1.41 0.87 -0.48 5.45 0.01 -1.26 -5.08 113.70 114.62 2dnq s SER 78 Ca 0.21 -0.12 0.07 0.00 1.31 0.00 0.00 55.95 57.43 2dnq s SER 78 Cb -0.15 -0.33 0.26 0.00 0.21 0.00 0.00 66.02 66.01 2dnq s SER 78 CO 0.09 -0.01 0.62 0.61 0.41 0.00 0.00 173.24 174.97 2dnq n GLY 79 N 3.67 3.66 3.09 3.44 0.00 -1.26 -5.12 105.19 112.67 2dnq n GLY 79 Ca -0.22 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 43.46 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 1.09 -0.85 -4.83 1.61 -0.02 -1.26 -4.99 135.00 125.75 2dnq n PRO 80 Ca 0.25 -0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.15 2dnq n PRO 80 Cb 0.49 -1.31 -0.13 0.00 -0.02 0.00 0.00 33.50 32.53 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 -1.41 4.09 0.08 2.55 0.01 -1.26 -5.13 113.70 112.63 2dnq s SER 81 Ca 0.41 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.52 2dnq s SER 81 Cb 0.00 -1.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.09 2dnq s SER 81 CO 0.59 0.29 -0.16 -0.55 0.41 0.00 0.00 173.24 173.81 2dnq s SER 82 N -0.41 1.97 0.00 2.44 0.15 -1.26 -5.37 113.70 111.22 2dnq s SER 82 Ca 0.05 -0.63 0.14 0.00 0.70 0.00 0.00 55.95 56.21 2dnq s SER 82 Cb -0.12 -0.08 0.11 0.00 -1.71 0.00 0.00 66.02 64.22 2dnq s SER 82 CO 0.02 -0.03 0.95 0.61 1.20 0.00 0.00 173.24 175.99