#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 5.01 0.46 1.61 0.01 -1.26 -5.09 113.70 114.44 2dnq s SER -5 Ca 0.00 -2.19 -0.20 0.00 1.31 0.00 0.00 55.95 54.87 2dnq s SER -5 Cb 0.00 -1.74 -0.13 0.00 0.21 0.00 0.00 66.02 64.36 2dnq s SER -5 CO 0.00 -0.45 0.22 -0.24 0.41 0.00 0.00 173.24 173.18 2dnq n SER -4 N 4.31 -2.27 -0.48 2.44 2.88 -1.26 -4.65 113.62 114.58 2dnq n SER -4 Ca 0.01 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 2dnq n SER -4 Cb 0.41 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 2dnq n SER -4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnq n GLY -3 N 2.15 -3.59 3.15 0.46 0.00 -1.26 -5.09 105.19 101.01 2dnq n GLY -3 Ca 0.10 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.00 0.38 -0.17 1.61 1.04 -1.26 -5.16 113.70 108.14 2dnq s SER -2 Ca 0.00 -1.19 -0.05 0.00 0.48 0.00 0.00 55.95 55.20 2dnq s SER -2 Cb 0.00 0.28 0.08 0.00 0.10 0.00 0.00 66.02 66.48 2dnq s SER -2 CO 0.00 -0.71 0.30 -0.44 0.98 0.00 0.00 173.24 173.38 2dnq s SER -1 N -3.04 0.33 0.00 7.02 0.01 -1.26 -5.00 113.70 111.76 2dnq s SER -1 Ca 0.22 0.54 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2dnq s SER -1 Cb 0.07 0.85 0.00 0.00 0.21 0.00 0.00 66.02 67.15 2dnq s SER -1 CO 0.01 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2dnq n GLY 0 N 5.36 0.00 3.01 3.44 0.00 -1.26 -5.17 105.19 110.56 2dnq n GLY 0 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 2dnq n GLY 0 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dnq n MET 1 N 0.00 -2.39 -3.58 1.61 2.00 -1.26 -4.77 117.12 108.73 2dnq n MET 1 Ca 0.00 -1.53 -0.21 0.00 0.00 0.00 0.00 57.70 55.96 2dnq n MET 1 Cb 0.00 -1.32 -0.15 0.00 0.00 0.00 0.00 33.22 31.75 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 -2.85 -0.21 0.20 2.03 1.01 -1.09 -4.91 120.40 114.58 2dnq s VAL 2 Ca 0.60 -0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 2dnq s VAL 2 Cb -0.05 -0.53 -0.08 0.00 0.00 0.00 0.00 36.38 35.72 2dnq s VAL 2 CO 0.45 -0.14 0.84 -0.75 0.00 0.00 0.00 175.10 175.50 2dnq s LYS 3 N 2.24 4.65 -0.09 2.72 2.20 -1.26 -0.88 119.74 129.32 2dnq s LYS 3 Ca 0.04 1.26 0.04 0.00 -0.36 0.00 0.00 55.97 56.96 2dnq s LYS 3 Cb -0.15 -3.23 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2dnq s LYS 3 CO -0.09 0.54 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.70 2dnq s LEU 4 N -1.23 2.04 -0.10 5.43 1.43 0.53 -2.95 118.68 123.83 2dnq s LEU 4 Ca 0.38 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 52.79 2dnq s LEU 4 Cb -0.24 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2dnq s LEU 4 CO 0.28 0.16 0.48 0.12 0.23 0.00 0.00 176.35 177.62 2dnq s PHE 5 N 0.27 3.54 -0.10 0.29 5.36 0.81 -1.60 117.98 126.55 2dnq s PHE 5 Ca -0.15 0.91 0.01 0.00 -0.96 0.00 0.00 56.93 56.74 2dnq s PHE 5 Cb -0.17 -2.53 0.02 0.00 -0.34 0.00 0.00 43.02 40.00 2dnq s PHE 5 CO 0.07 0.22 -0.13 0.42 -1.46 0.00 0.00 175.22 174.34 2dnq s ILE 6 N 0.44 1.33 0.33 3.12 1.01 0.87 -0.75 121.20 127.54 2dnq s ILE 6 Ca 0.26 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.43 2dnq s ILE 6 Cb -0.15 -1.23 -0.06 0.00 0.01 0.00 0.00 42.46 41.02 2dnq s ILE 6 CO 0.11 0.41 -0.01 -0.83 0.00 0.00 0.00 174.94 174.61 2dnq s GLY 7 N 1.03 2.08 -0.82 6.18 0.00 -0.05 -0.08 107.32 115.67 2dnq s GLY 7 Ca -0.06 -2.06 -0.01 0.00 0.00 0.00 0.00 44.72 42.59 2dnq s GLY 7 CO -0.02 -1.91 0.69 -2.01 0.00 0.00 0.00 173.10 169.86 2dnq n ASN 8 N -0.72 -3.07 -4.85 1.64 5.15 -1.22 -0.90 115.26 111.30 2dnq n ASN 8 Ca -0.04 -0.46 -0.36 0.00 -0.60 0.00 0.00 54.58 53.12 2dnq n ASN 8 Cb 0.65 -3.81 -0.06 0.00 -0.53 0.00 0.00 39.78 36.03 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 4.39 0.00 1.20 1.43 -1.26 -3.91 118.68 115.57 2dnq s LEU 9 Ca 0.10 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 2dnq s LEU 9 Cb -0.01 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.27 2dnq s LEU 9 CO 0.52 0.20 0.00 -0.81 0.23 0.00 0.00 176.35 176.50 2dnq n PRO 10 N 1.19 0.06 -0.06 1.29 -0.04 -1.26 -4.97 135.00 131.21 2dnq n PRO 10 Ca -0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.27 2dnq n PRO 10 Cb 0.52 0.00 -0.15 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 -0.88 0.67 0.22 0.54 3.00 -1.26 -4.16 116.66 114.79 2dnq n ARG 11 Ca 0.00 0.14 0.11 0.00 -0.00 0.00 0.00 57.85 58.10 2dnq n ARG 11 Cb 0.00 -1.65 0.30 0.00 0.00 0.00 0.00 32.46 31.11 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 -6.66 -0.14 5.08 -1.95 -3.45 114.58 107.46 2dnq h GLU 12 Ca -0.43 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.40 2dnq h GLU 12 Cb 2.12 0.00 0.06 0.00 0.50 0.00 0.00 28.75 31.44 2dnq h GLU 12 CO 0.05 0.14 0.96 0.00 -1.00 0.00 0.00 179.01 179.15 2dnq n ALA 13 N -2.14 2.59 -2.57 3.43 0.00 -1.26 -5.00 120.51 115.56 2dnq n ALA 13 Ca 0.02 0.40 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 2dnq n ALA 13 Cb 0.51 -2.49 -0.13 0.00 0.00 0.00 0.00 19.45 17.33 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 0.90 1.42 0.29 0.00 -4.23 -1.26 -4.95 115.64 107.80 2dnq s THR 14 Ca 0.73 -1.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.09 2dnq s THR 14 Cb -0.53 -1.27 0.38 0.00 1.34 0.00 0.00 72.50 72.43 2dnq s THR 14 CO 0.36 0.05 1.44 1.21 -0.54 0.00 0.00 174.62 177.15 2dnq n GLU 15 N 1.70 -0.07 0.38 3.99 2.13 -1.26 -0.62 120.64 126.88 2dnq n GLU 15 Ca -0.18 1.37 -0.16 0.00 0.66 0.00 0.00 57.16 58.85 2dnq n GLU 15 Cb 0.54 -2.20 -0.08 0.00 0.27 0.00 0.00 31.44 29.97 2dnq n GLU 15 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2dnq h GLN 16 N 0.00 -0.97 -0.68 5.31 4.15 -1.96 0.27 115.11 121.23 2dnq h GLN 16 Ca 0.58 0.07 0.10 0.00 0.77 0.00 0.00 58.65 60.17 2dnq h GLN 16 Cb 1.23 0.22 -0.12 0.00 0.21 0.00 0.00 27.48 29.02 2dnq h GLN 16 CO -0.85 -0.65 -0.41 0.93 -1.93 0.00 0.00 178.83 175.92 2dnq h GLU 17 N -1.01 -0.15 0.76 1.69 5.08 -1.28 0.21 114.58 119.88 2dnq h GLU 17 Ca -0.10 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2dnq h GLU 17 Cb 0.79 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.08 2dnq h GLU 17 CO 0.13 -0.10 -0.39 0.82 -1.00 0.00 0.00 179.01 178.47 2dnq h ILE 18 N -0.16 0.00 -0.93 3.13 1.08 -1.21 -1.78 117.51 117.64 2dnq h ILE 18 Ca 0.22 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.95 2dnq h ILE 18 Cb 0.56 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.14 2dnq h ILE 18 CO -0.75 0.00 0.10 -0.09 -0.69 0.00 0.00 178.15 176.71 2dnq h ARG 19 N -1.05 0.06 0.19 2.37 1.12 0.06 0.18 114.38 117.32 2dnq h ARG 19 Ca -0.10 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.75 2dnq h ARG 19 Cb 0.81 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.76 2dnq h ARG 19 CO 0.16 0.04 -0.09 1.03 -3.11 0.00 0.00 179.97 178.00 2dnq h SER 20 N 0.06 -0.21 -1.74 -3.80 0.87 -0.41 -1.87 113.55 106.45 2dnq h SER 20 Ca 0.58 0.00 0.51 0.00 -1.23 0.00 0.00 61.79 61.65 2dnq h SER 20 Cb 1.19 0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 63.13 2dnq h SER 20 CO -0.82 -0.15 1.24 -0.07 -0.53 0.00 0.00 176.83 176.50 2dnq h LEU 21 N -0.26 0.02 0.05 2.23 3.38 0.27 1.46 115.31 122.47 2dnq h LEU 21 Ca -0.03 0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.65 2dnq h LEU 21 Cb 0.20 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2dnq h LEU 21 CO 0.04 -0.02 -1.65 -0.26 0.09 0.00 0.00 178.44 176.64 2dnq h PHE 22 N 0.01 0.20 0.00 1.13 0.04 -1.19 -3.31 116.94 113.81 2dnq h PHE 22 Ca 0.84 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 61.47 2dnq h PHE 22 Cb 3.32 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 41.46 2dnq h PHE 22 CO -0.00 1.24 0.02 0.39 -0.60 0.00 0.00 178.31 179.36 2dnq n GLU 23 N -3.25 0.08 0.07 1.51 1.02 0.50 -0.69 120.64 119.87 2dnq n GLU 23 Ca -0.18 0.57 -0.05 0.00 -0.02 0.00 0.00 57.16 57.48 2dnq n GLU 23 Cb 1.04 -1.77 -0.09 0.00 -0.02 0.00 0.00 31.44 30.59 2dnq n GLU 23 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2dnq h GLN 24 N 0.00 0.00 -0.18 3.49 4.20 -1.56 -3.30 115.11 117.76 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 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2dnq h GLN 24 CO 0.00 0.87 0.00 0.66 -0.67 0.00 0.00 178.83 179.69 2dnq n TYR 25 N -3.30 0.23 0.00 2.96 4.02 0.13 -5.03 117.16 116.17 2dnq n TYR 25 Ca -0.01 -0.40 0.00 0.00 -0.01 0.00 0.00 57.90 57.49 2dnq n TYR 25 Cb 0.90 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 40.20 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 0.19 4.11 3.73 2.72 0.00 0.06 -4.67 105.19 111.33 2dnq n GLY 26 Ca 0.07 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.14 2.50 -3.77 1.61 4.81 -1.26 -2.93 118.16 117.98 2dnq n LYS 27 Ca 0.00 0.89 -0.33 0.00 -0.87 0.00 0.00 58.31 58.00 2dnq n LYS 27 Cb 0.00 -2.62 -0.05 0.00 0.02 0.00 0.00 35.03 32.39 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 -0.28 5.27 -0.06 3.15 1.01 -1.26 -2.19 120.40 126.03 2dnq s VAL 28 Ca 0.62 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 2dnq s VAL 28 Cb -0.53 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2dnq s VAL 28 CO 0.52 0.19 -0.14 0.18 0.00 0.00 0.00 175.10 175.85 2dnq n LEU 29 N 0.53 1.07 -4.38 3.92 4.77 -0.72 -4.97 117.00 117.21 2dnq n LEU 29 Ca -0.06 0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 55.77 2dnq n LEU 29 Cb 0.52 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 2dnq n LEU 29 CO 0.47 -0.13 -0.50 -1.61 -1.33 0.00 0.00 177.39 174.28 2dnq s GLU 30 N -2.27 2.52 -0.23 3.23 2.02 -1.25 -4.96 118.70 117.77 2dnq s GLU 30 Ca -0.13 -0.79 -0.03 0.00 0.02 0.00 0.00 54.97 54.03 2dnq s GLU 30 Cb 0.04 -2.28 0.10 0.00 0.10 0.00 0.00 34.13 32.09 2dnq s GLU 30 CO 0.18 0.51 0.23 0.00 0.02 0.00 0.00 175.26 176.21 2dnq s ASP 32 N 2.32 2.68 -0.25 0.00 2.15 -0.86 -4.96 116.67 117.75 2dnq s ASP 32 Ca 0.08 -1.02 -0.03 0.00 0.43 0.00 0.00 52.55 52.01 2dnq s ASP 32 Cb -0.15 -0.15 0.11 0.00 -0.30 0.00 0.00 42.92 42.43 2dnq s ASP 32 CO -0.18 -0.15 0.25 -0.63 -0.17 0.00 0.00 175.17 174.29 2dnq s ILE 33 N -2.92 -0.34 0.13 4.11 1.01 -1.26 -1.31 121.20 120.62 2dnq s ILE 33 Ca 0.23 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.49 2dnq s ILE 33 Cb -0.01 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 2dnq s ILE 33 CO 0.08 -0.36 0.18 -0.63 0.00 0.00 0.00 174.94 174.20 2dnq s ILE 34 N 2.32 0.10 -1.33 2.92 1.01 0.25 -4.90 121.20 121.58 2dnq s ILE 34 Ca 0.08 -1.53 -0.15 0.00 0.00 0.00 0.00 60.65 59.06 2dnq s ILE 34 Cb -0.15 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.57 2dnq s ILE 34 CO -0.23 -0.47 0.27 0.29 0.00 0.00 0.00 174.94 174.80 2dnq n LYS 35 N -0.12 -0.64 -4.20 2.79 5.02 -1.26 0.14 118.16 119.89 2dnq n LYS 35 Ca -0.09 0.06 -0.36 0.00 -2.02 0.00 0.00 58.31 55.90 2dnq n LYS 35 Cb 0.63 -2.90 -0.02 0.00 -0.02 0.00 0.00 35.03 32.72 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 -2.39 -3.42 -3.73 4.39 3.02 -1.26 -4.93 115.26 106.94 2dnq n ASN 36 Ca -0.22 -0.99 -0.13 0.00 -0.03 0.00 0.00 54.58 53.21 2dnq n ASN 36 Cb 0.61 -2.85 -0.08 0.00 -0.61 0.00 0.00 39.78 36.85 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 -3.29 -0.19 0.03 3.10 -0.85 0.38 -3.37 117.35 113.16 2dnq s TYR 37 Ca 0.73 0.19 0.02 0.00 -0.52 0.00 0.00 57.07 57.50 2dnq s TYR 37 Cb -0.40 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.05 2dnq s TYR 37 CO 0.92 -0.47 -0.08 0.20 -1.52 0.00 0.00 175.55 174.60 2dnq s GLY 38 N -1.69 0.46 -0.07 5.49 0.00 0.88 0.87 107.32 113.26 2dnq s GLY 38 Ca -0.09 -0.60 0.05 0.00 0.00 0.00 0.00 44.72 44.07 2dnq s GLY 38 CO 0.01 -0.62 -0.22 -1.36 0.00 0.00 0.00 173.10 170.91 2dnq s PHE 39 N -0.92 2.53 -0.17 1.90 0.08 -0.43 -0.09 117.98 120.89 2dnq s PHE 39 Ca -0.05 -0.65 -0.01 0.00 0.12 0.00 0.00 56.93 56.34 2dnq s PHE 39 Cb -0.07 -1.64 0.05 0.00 -0.57 0.00 0.00 43.02 40.78 2dnq s PHE 39 CO 0.00 -0.17 -0.02 0.08 -0.10 0.00 0.00 175.22 175.01 2dnq s VAL 40 N -0.14 0.88 -0.93 -0.44 1.01 -0.63 -2.04 120.40 118.11 2dnq s VAL 40 Ca -0.03 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 2dnq s VAL 40 Cb -0.14 -1.18 0.16 0.00 0.00 0.00 0.00 36.38 35.22 2dnq s VAL 40 CO 0.04 0.01 1.07 -1.00 0.00 0.00 0.00 175.10 175.21 2dnq s HIS 41 N 1.72 3.33 0.92 5.22 3.76 -0.64 -0.34 115.29 129.25 2dnq s HIS 41 Ca -0.00 -1.62 -0.11 0.00 -0.15 0.00 0.00 55.06 53.17 2dnq s HIS 41 Cb -0.16 -4.17 0.14 0.00 1.11 0.00 0.00 32.58 29.51 2dnq s HIS 41 CO -0.07 -1.35 1.09 -1.50 -0.85 0.00 0.00 174.74 172.05 2dnq s ILE 42 N 1.92 2.55 0.00 0.60 2.07 -0.06 -1.76 121.20 126.52 2dnq s ILE 42 Ca 0.30 0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.72 2dnq s ILE 42 Cb -0.06 -2.52 0.00 0.00 0.13 0.00 0.00 42.46 40.01 2dnq s ILE 42 CO -0.09 -0.24 0.62 1.21 -1.91 0.00 0.00 174.94 174.54 2dnq n GLU 43 N -4.04 0.00 -4.08 3.50 4.07 -0.93 -2.67 120.64 116.49 2dnq n GLU 43 Ca 0.08 0.30 -0.30 0.00 -0.06 0.00 0.00 57.16 57.18 2dnq n GLU 43 Cb 0.54 -1.19 -0.07 0.00 -0.06 0.00 0.00 31.44 30.66 2dnq n GLU 43 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2dnq s ASP 44 N -2.05 5.35 0.09 4.31 -4.77 -1.26 -4.21 116.67 114.13 2dnq s ASP 44 Ca 0.00 -0.07 -0.32 0.00 -3.30 0.00 0.00 52.55 48.86 2dnq s ASP 44 Cb 0.00 -1.38 -0.15 0.00 -1.09 0.00 0.00 42.92 40.30 2dnq s ASP 44 CO 0.00 0.18 1.61 0.50 0.70 0.00 0.00 175.17 178.15 2dnq h LYS 45 N 3.36 -0.79 -1.65 2.11 3.64 -1.88 -1.67 116.57 119.70 2dnq h LYS 45 Ca -0.47 0.05 0.48 0.00 -1.27 0.00 0.00 60.65 59.44 2dnq h LYS 45 Cb 1.16 0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 33.10 2dnq h LYS 45 CO 0.64 -0.52 1.23 1.15 -2.27 0.00 0.00 179.45 179.67 2dnq h THR 46 N -0.82 0.13 -0.32 1.00 2.02 -1.96 1.12 112.91 114.08 2dnq h THR 46 Ca -0.04 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.99 2dnq h THR 46 Cb 0.71 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2dnq h THR 46 CO -0.02 0.00 -0.35 0.00 0.37 0.00 0.00 175.52 175.52 2dnq h ALA 47 N 1.10 0.48 0.46 6.16 0.00 -1.57 -3.18 119.26 122.71 2dnq h ALA 47 Ca 0.78 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2dnq h ALA 47 Cb 3.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 20.90 2dnq h ALA 47 CO -0.01 0.55 -0.36 0.00 0.00 0.00 0.00 179.25 179.43 2dnq h ALA 48 N 0.72 -0.84 -0.90 0.00 0.00 0.14 -2.48 119.26 115.89 2dnq h ALA 48 Ca 0.05 -0.15 0.25 0.00 0.00 0.00 0.00 54.91 55.06 2dnq h ALA 48 Cb 0.94 0.49 -0.14 0.00 0.00 0.00 0.00 17.79 19.08 2dnq h ALA 48 CO 0.09 -1.00 0.28 0.93 0.00 0.00 0.00 179.25 179.55 2dnq h GLU 49 N -0.82 0.21 -0.56 0.00 5.08 -1.59 0.44 114.58 117.35 2dnq h GLU 49 Ca -0.05 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2dnq h GLU 49 Cb 0.70 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 2dnq h GLU 49 CO -0.01 0.14 0.29 -0.44 -1.00 0.00 0.00 179.01 177.99 2dnq h ASP 50 N 0.22 0.41 0.21 1.42 5.19 -1.43 -2.31 116.42 120.14 2dnq h ASP 50 Ca 0.58 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 57.01 2dnq h ASP 50 Cb 1.21 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.68 2dnq h ASP 50 CO -0.66 0.28 -0.10 0.00 -3.12 0.00 0.00 179.24 175.64 2dnq h ALA 51 N 1.30 -0.33 -0.70 3.45 0.00 -0.07 -3.34 119.26 119.56 2dnq h ALA 51 Ca 0.25 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2dnq h ALA 51 Cb 0.16 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 2dnq h ALA 51 CO -0.17 -0.31 -0.39 -0.89 0.00 0.00 0.00 179.25 177.49 2dnq n ILE 52 N -4.39 -0.46 -0.35 0.00 5.41 0.11 0.74 119.36 120.43 2dnq n ILE 52 Ca -0.03 1.70 0.02 0.00 1.00 0.00 0.00 62.75 65.43 2dnq n ILE 52 Cb 0.11 -2.12 0.07 0.00 -0.71 0.00 0.00 39.64 36.99 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 -4.91 -0.16 -0.00 0.38 0.63 -0.87 0.52 116.66 112.24 2dnq n ARG 53 Ca 0.03 1.44 -0.00 0.00 -0.92 0.00 0.00 57.85 58.39 2dnq n ARG 53 Cb 0.20 -2.14 -0.00 0.00 0.45 0.00 0.00 32.46 30.97 2dnq n ARG 53 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2dnq h ASN 54 N 0.00 -0.00 -0.71 6.15 2.35 0.20 -3.37 115.58 120.20 2dnq h ASN 54 Ca 0.37 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 56.22 2dnq h ASN 54 Cb 0.60 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.87 2dnq h ASN 54 CO -0.94 0.01 -0.31 0.18 -1.65 0.00 0.00 177.43 174.72 2dnq n LEU 55 N -2.04 -0.52 -4.69 1.61 4.77 0.83 -4.24 117.00 112.72 2dnq n LEU 55 Ca -0.00 1.25 -0.66 0.00 -0.03 0.00 0.00 56.01 56.57 2dnq n LEU 55 Cb 0.00 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.73 2dnq n LEU 55 CO 0.00 -1.10 1.03 1.57 -1.33 0.00 0.00 177.39 177.55 2dnq n HIS 56 N -5.02 1.52 -3.02 -1.77 -0.00 0.18 0.13 115.22 107.25 2dnq n HIS 56 Ca 0.06 1.12 -0.20 0.00 0.46 0.00 0.00 57.72 59.16 2dnq n HIS 56 Cb 0.27 -2.20 0.04 0.00 -0.12 0.00 0.00 29.99 27.97 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 3.47 -1.87 -3.08 1.57 8.25 -0.21 -4.93 115.22 118.41 2dnq n HIS 57 Ca 0.28 0.53 -0.40 0.00 -0.26 0.00 0.00 57.72 57.88 2dnq n HIS 57 Cb -0.03 -4.19 -0.05 0.00 1.12 0.00 0.00 29.99 26.84 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 -3.14 3.40 -0.23 4.41 6.14 0.34 -4.82 117.35 123.47 2dnq s TYR 58 Ca 0.31 1.00 -0.28 0.00 0.64 0.00 0.00 57.07 58.74 2dnq s TYR 58 Cb -0.14 -2.82 -0.05 0.00 0.42 0.00 0.00 41.96 39.37 2dnq s TYR 58 CO 0.38 -0.15 2.18 0.21 0.64 0.00 0.00 175.55 178.81 2dnq s LYS 59 N 1.80 3.15 -0.38 4.97 2.20 -1.26 -3.65 119.74 126.58 2dnq s LYS 59 Ca 0.31 1.97 0.01 0.00 -0.36 0.00 0.00 55.97 57.90 2dnq s LYS 59 Cb -0.16 -4.36 0.12 0.00 -1.51 0.00 0.00 37.83 31.92 2dnq s LYS 59 CO 0.11 -2.09 0.17 -1.17 -0.36 0.00 0.00 175.35 172.01 2dnq s LEU 60 N 8.18 2.72 -0.59 5.43 2.96 -1.12 -4.82 118.68 131.43 2dnq s LEU 60 Ca 0.99 -2.20 -0.00 0.00 -0.22 0.00 0.00 54.13 52.70 2dnq s LEU 60 Cb -0.32 -1.03 0.00 0.00 0.50 0.00 0.00 46.19 45.34 2dnq s LEU 60 CO 0.35 -0.34 0.49 1.41 -1.32 0.00 0.00 176.35 176.95 2dnq n HIS 61 N 4.12 -1.09 -3.02 5.38 8.25 -1.26 -3.37 115.22 124.23 2dnq n HIS 61 Ca 0.04 0.46 -0.21 0.00 -0.26 0.00 0.00 57.72 57.75 2dnq n HIS 61 Cb 0.38 -3.47 0.04 0.00 1.12 0.00 0.00 29.99 28.06 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 -1.07 -0.42 3.37 -1.41 0.00 -1.26 -5.00 105.19 99.40 2dnq n GLY 62 Ca -0.13 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.15 0.45 -0.54 1.61 0.11 -1.22 -5.12 120.40 112.55 2dnq s VAL 63 Ca 0.31 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.40 2dnq s VAL 63 Cb -0.14 -2.52 0.17 0.00 -1.53 0.00 0.00 36.38 32.36 2dnq s VAL 63 CO 0.39 0.00 0.39 0.20 -3.33 0.00 0.00 175.10 172.75 2dnq s ASN 64 N -3.41 3.10 0.93 3.54 -0.87 -1.26 -2.79 114.94 114.17 2dnq s ASN 64 Ca 0.34 -3.33 -0.10 0.00 -1.57 0.00 0.00 52.86 48.20 2dnq s ASN 64 Cb 0.05 -1.00 0.15 0.00 -0.02 0.00 0.00 41.25 40.43 2dnq s ASN 64 CO 0.17 -0.15 1.10 2.30 -2.57 0.00 0.00 177.10 177.95 2dnq n ILE 65 N 2.58 0.00 -3.89 0.60 -5.35 -1.24 -4.79 119.36 107.26 2dnq n ILE 65 Ca 0.23 -0.02 -0.27 0.00 -0.27 0.00 0.00 62.75 62.42 2dnq n ILE 65 Cb 0.41 -0.98 -0.17 0.00 -1.74 0.00 0.00 39.64 37.16 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 -2.60 2.40 -0.16 7.28 0.01 -0.08 -1.05 114.94 120.75 2dnq s ASN 66 Ca 0.66 -0.43 -0.04 0.00 -0.71 0.00 0.00 52.86 52.35 2dnq s ASN 66 Cb -0.23 -0.85 -0.03 0.00 0.41 0.00 0.00 41.25 40.56 2dnq s ASN 66 CO 0.59 -0.15 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.30 2dnq s VAL 67 N 1.70 3.89 -0.05 1.60 1.01 -1.26 -0.87 120.40 126.42 2dnq s VAL 67 Ca 0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 2dnq s VAL 67 Cb -0.14 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.55 2dnq s VAL 67 CO -0.08 0.49 0.20 -0.70 0.00 0.00 0.00 175.10 175.01 2dnq s GLU 68 N 0.38 0.36 -0.68 2.72 2.12 0.07 -4.77 118.70 118.90 2dnq s GLU 68 Ca -0.04 0.03 -0.26 0.00 0.36 0.00 0.00 54.97 55.06 2dnq s GLU 68 Cb -0.14 0.16 -0.07 0.00 0.26 0.00 0.00 34.13 34.34 2dnq s GLU 68 CO 0.03 -0.07 2.18 0.00 -0.54 0.00 0.00 175.26 176.86 2dnq s ALA 69 N -0.49 1.53 -0.36 6.30 0.00 -1.26 -0.13 121.76 127.35 2dnq s ALA 69 Ca -0.06 -0.66 -0.37 0.00 0.00 0.00 0.00 51.96 50.87 2dnq s ALA 69 Cb -0.04 -4.44 -0.13 0.00 0.00 0.00 0.00 23.12 18.52 2dnq s ALA 69 CO 0.01 -4.77 2.13 0.45 0.00 0.00 0.00 175.76 173.58 2dnq n SER 70 N 15.46 1.98 -3.98 0.00 2.88 -1.15 -4.83 113.62 123.97 2dnq n SER 70 Ca 0.36 0.53 -0.10 0.00 -1.33 0.00 0.00 58.87 58.33 2dnq n SER 70 Cb 0.50 -1.20 -0.11 0.00 -0.75 0.00 0.00 64.21 62.64 2dnq n SER 70 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2dnq s LYS 71 N 5.89 0.31 -0.48 -1.46 -2.85 -1.26 -4.76 119.74 115.12 2dnq s LYS 71 Ca 1.10 -0.56 0.03 0.00 -1.00 0.00 0.00 55.97 55.53 2dnq s LYS 71 Cb -0.97 0.04 0.14 0.00 -2.06 0.00 0.00 37.83 34.98 2dnq s LYS 71 CO 0.53 -0.03 0.27 1.21 0.10 0.00 0.00 175.35 177.43 2dnq s ASN 72 N -1.31 3.85 -0.59 0.03 2.47 -1.26 -4.85 114.94 113.28 2dnq s ASN 72 Ca -0.13 -2.85 -0.07 0.00 0.42 0.00 0.00 52.86 50.22 2dnq s ASN 72 Cb -0.09 -1.23 0.07 0.00 -1.45 0.00 0.00 41.25 38.56 2dnq s ASN 72 CO -0.01 -0.24 0.19 2.29 -3.72 0.00 0.00 177.10 175.61 2dnq n LYS 73 N 3.27 -2.24 -2.54 0.43 2.85 -1.26 -4.81 118.16 113.86 2dnq n LYS 73 Ca 0.09 0.04 -0.43 0.00 -1.05 0.00 0.00 58.31 56.97 2dnq n LYS 73 Cb 0.34 -4.46 -0.02 0.00 -0.65 0.00 0.00 35.03 30.24 2dnq n LYS 73 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2dnq s SER 74 N -2.35 6.70 -0.14 -5.58 0.15 -1.26 -5.01 113.70 106.21 2dnq s SER 74 Ca 0.26 0.87 -0.05 0.00 0.70 0.00 0.00 55.95 57.74 2dnq s SER 74 Cb -0.15 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 2dnq s SER 74 CO 0.32 -1.11 0.01 -0.54 1.20 0.00 0.00 173.24 173.12 2dnq s LYS 75 N 4.19 3.59 -0.21 5.44 1.02 -1.26 -5.09 119.74 127.41 2dnq s LYS 75 Ca 0.51 -0.42 -0.01 0.00 0.02 0.00 0.00 55.97 56.07 2dnq s LYS 75 Cb -0.12 -2.99 0.01 0.00 -0.52 0.00 0.00 37.83 34.21 2dnq s LYS 75 CO 0.25 0.39 -0.11 0.00 -0.92 0.00 0.00 175.35 174.96 2dnq s ALA 76 N -0.02 2.60 -0.25 5.17 0.00 -1.26 -4.98 121.76 123.02 2dnq s ALA 76 Ca 0.04 -1.25 -0.07 0.00 0.00 0.00 0.00 51.96 50.68 2dnq s ALA 76 Cb -0.13 -1.49 -0.16 0.00 0.00 0.00 0.00 23.12 21.34 2dnq s ALA 76 CO 0.02 -0.47 -0.17 -1.13 0.00 0.00 0.00 175.76 174.01 2dnq n SER 77 N 4.70 1.98 -3.91 0.00 3.41 -1.26 -4.99 113.62 113.55 2dnq n SER 77 Ca -0.19 0.13 -0.16 0.00 -0.26 0.00 0.00 58.87 58.39 2dnq n SER 77 Cb 0.50 -0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 63.63 2dnq n SER 77 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dnq s SER 78 N -6.98 0.52 -0.13 4.04 0.15 -1.26 -5.15 113.70 104.90 2dnq s SER 78 Ca -0.34 -0.07 -0.27 0.00 0.70 0.00 0.00 55.95 55.96 2dnq s SER 78 Cb 0.11 -0.13 0.07 0.00 -1.71 0.00 0.00 66.02 64.36 2dnq s SER 78 CO 0.58 0.01 0.66 -0.83 1.20 0.00 0.00 173.24 174.86 2dnq s GLY 79 N 0.22 -0.53 0.18 9.45 0.00 -1.26 -5.15 107.32 110.23 2dnq s GLY 79 Ca -0.02 1.49 -0.30 0.00 0.00 0.00 0.00 44.72 45.89 2dnq s GLY 79 CO -0.00 1.17 1.01 2.56 0.00 0.00 0.00 173.10 177.84 2dnq s PRO 80 N -0.60 4.71 -0.37 2.90 0.04 -1.26 -5.03 135.00 135.38 2dnq s PRO 80 Ca -0.07 1.58 -0.10 0.00 0.04 0.00 0.00 61.00 62.44 2dnq s PRO 80 Cb -0.02 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.25 2dnq s PRO 80 CO 0.06 0.26 0.19 0.45 0.04 0.00 0.00 177.00 178.00 2dnq s SER 81 N -0.44 5.68 0.19 6.66 0.15 -1.26 -4.88 113.70 119.80 2dnq s SER 81 Ca 0.46 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 56.08 2dnq s SER 81 Cb -0.27 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2dnq s SER 81 CO 0.33 -0.38 0.00 -0.24 1.20 0.00 0.00 173.24 174.15 2dnq n SER 82 N 4.97 0.54 -0.84 5.45 2.88 -1.26 -5.38 113.62 119.98 2dnq n SER 82 Ca -0.12 0.30 0.12 0.00 -1.33 0.00 0.00 58.87 57.85 2dnq n SER 82 Cb 0.46 -0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.12 2dnq n SER 82 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42