#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 1.59 -4.04 1.61 7.64 -1.26 -2.61 113.62 116.55 2dnq n SER -5 Ca 0.00 -1.13 -0.32 0.00 1.01 0.00 0.00 58.87 58.43 2dnq n SER -5 Cb 0.00 -1.52 -0.00 0.00 -1.01 0.00 0.00 64.21 61.67 2dnq n SER -5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dnq n SER -4 N 16.70 -3.31 0.00 6.43 2.88 -1.26 -4.88 113.62 130.18 2dnq n SER -4 Ca 0.47 -0.91 0.00 0.00 -1.33 0.00 0.00 58.87 57.10 2dnq n SER -4 Cb 0.42 -3.30 0.00 0.00 -0.75 0.00 0.00 64.21 60.58 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 -1.60 1.96 2.98 0.46 0.00 -1.07 -5.11 105.19 102.80 2dnq n GLY -3 Ca -0.01 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2dnq n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dnq s SER -2 N 1.00 3.55 -0.43 1.61 0.15 -1.26 -4.96 113.70 113.35 2dnq s SER -2 Ca 0.00 -0.98 -0.38 0.00 0.70 0.00 0.00 55.95 55.29 2dnq s SER -2 Cb 0.00 -1.23 -0.16 0.00 -1.71 0.00 0.00 66.02 62.92 2dnq s SER -2 CO 0.00 -0.17 1.85 -1.54 1.20 0.00 0.00 173.24 174.58 2dnq n SER -1 N 4.67 0.64 0.00 5.45 3.41 -1.26 -4.10 113.62 122.43 2dnq n SER -1 Ca -0.14 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2dnq n SER -1 Cb 0.46 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2dnq n SER -1 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dnq n GLY 0 N 6.47 1.15 3.41 5.00 0.00 -1.26 -4.89 105.19 115.08 2dnq n GLY 0 Ca 0.48 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 4.18 1.72 -0.21 1.61 0.00 -1.25 -4.53 119.30 120.80 2dnq s MET 1 Ca 0.00 -2.00 -0.04 0.00 0.00 0.00 0.00 55.69 53.65 2dnq s MET 1 Cb 0.00 -0.39 0.10 0.00 0.00 0.00 0.00 34.83 34.53 2dnq s MET 1 CO 0.00 -0.42 0.23 0.08 0.00 0.00 0.00 175.02 174.92 2dnq s VAL 2 N -3.42 -0.34 0.77 5.16 1.01 -1.09 -4.91 120.40 117.57 2dnq s VAL 2 Ca 0.32 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 2dnq s VAL 2 Cb 0.05 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.77 2dnq s VAL 2 CO 0.16 -0.23 1.13 -0.75 0.00 0.00 0.00 175.10 175.41 2dnq s LYS 3 N 2.34 2.11 -0.04 2.72 2.20 -1.26 -1.72 119.74 126.09 2dnq s LYS 3 Ca 0.07 1.40 -0.00 0.00 -0.36 0.00 0.00 55.97 57.09 2dnq s LYS 3 Cb -0.16 -1.86 0.03 0.00 -1.51 0.00 0.00 37.83 34.33 2dnq s LYS 3 CO -0.14 -1.79 0.01 -0.51 -0.36 0.00 0.00 175.35 172.56 2dnq s LEU 4 N -5.67 0.87 -0.26 5.43 1.43 0.28 -3.60 118.68 117.15 2dnq s LEU 4 Ca 0.66 -0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 53.53 2dnq s LEU 4 Cb -0.21 -0.28 -0.02 0.00 0.03 0.00 0.00 46.19 45.70 2dnq s LEU 4 CO 0.51 -0.14 0.59 0.12 0.23 0.00 0.00 176.35 177.66 2dnq s PHE 5 N 1.43 3.27 -0.13 0.29 5.36 -0.14 -1.98 117.98 126.09 2dnq s PHE 5 Ca -0.04 0.75 0.02 0.00 -0.96 0.00 0.00 56.93 56.70 2dnq s PHE 5 Cb -0.13 -2.81 0.01 0.00 -0.34 0.00 0.00 43.02 39.75 2dnq s PHE 5 CO -0.03 -0.32 -0.19 0.42 -1.46 0.00 0.00 175.22 173.64 2dnq s ILE 6 N 2.45 1.86 0.47 3.12 1.01 -0.06 -1.81 121.20 128.23 2dnq s ILE 6 Ca 0.24 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 60.07 2dnq s ILE 6 Cb -0.15 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 2dnq s ILE 6 CO 0.09 0.51 0.04 -0.83 0.00 0.00 0.00 174.94 174.74 2dnq s GLY 7 N 0.92 2.83 -1.29 6.18 0.00 -0.83 -0.18 107.32 114.96 2dnq s GLY 7 Ca -0.06 -0.87 -0.05 0.00 0.00 0.00 0.00 44.72 43.75 2dnq s GLY 7 CO -0.03 -2.09 1.10 -2.01 0.00 0.00 0.00 173.10 170.08 2dnq n ASN 8 N -1.22 -4.42 -4.82 1.64 4.05 -1.22 -2.11 115.26 107.18 2dnq n ASN 8 Ca -0.14 -0.58 -0.38 0.00 0.45 0.00 0.00 54.58 53.93 2dnq n ASN 8 Cb 0.66 -5.06 -0.06 0.00 1.23 0.00 0.00 39.78 36.56 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 -6.89 4.49 0.00 1.20 1.43 -1.25 -4.24 118.68 113.42 2dnq s LEU 9 Ca 0.33 1.25 -0.07 0.00 -1.03 0.00 0.00 54.13 54.60 2dnq s LEU 9 Cb -0.14 -3.01 0.10 0.00 0.03 0.00 0.00 46.19 43.17 2dnq s LEU 9 CO 0.73 0.23 0.57 -0.81 0.23 0.00 0.00 176.35 177.31 2dnq n PRO 10 N 1.50 -0.69 0.08 1.29 -0.04 -1.26 -4.90 135.00 130.98 2dnq n PRO 10 Ca -0.09 -0.89 -0.16 0.00 -0.04 0.00 0.00 63.50 62.32 2dnq n PRO 10 Cb 0.51 -0.61 -0.14 0.00 -0.04 0.00 0.00 33.50 33.22 2dnq n PRO 10 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2dnq h ARG 11 N 0.00 0.25 0.00 0.54 2.43 -1.98 -3.29 114.38 112.33 2dnq h ARG 11 Ca -0.19 -0.43 -0.07 0.00 -0.81 0.00 0.00 59.98 58.48 2dnq h ARG 11 Cb 0.52 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2dnq h ARG 11 CO 0.13 1.14 -0.32 0.93 -1.51 0.00 0.00 179.97 180.34 2dnq h GLU 12 N 0.07 0.00 -6.40 0.20 5.08 -1.96 -3.44 114.58 108.13 2dnq h GLU 12 Ca -0.20 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.54 2dnq h GLU 12 Cb 2.00 0.00 0.09 0.00 0.50 0.00 0.00 28.75 31.34 2dnq h GLU 12 CO 0.18 0.32 0.19 0.00 -1.00 0.00 0.00 179.01 178.70 2dnq n ALA 13 N -2.37 -0.51 -2.20 3.43 0.00 -1.24 -4.99 120.51 112.63 2dnq n ALA 13 Ca -0.01 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 2dnq n ALA 13 Cb 0.41 -2.02 -0.10 0.00 0.00 0.00 0.00 19.45 17.73 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 -0.62 0.76 0.38 0.00 -4.23 -1.26 -4.98 115.64 105.69 2dnq s THR 14 Ca 0.66 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.25 2dnq s THR 14 Cb -0.77 -1.85 0.27 0.00 1.34 0.00 0.00 72.50 71.49 2dnq s THR 14 CO 0.56 -0.73 2.03 -0.33 -0.54 0.00 0.00 174.62 175.61 2dnq h GLU 15 N 2.85 0.70 -0.01 3.99 5.08 -1.93 -1.35 114.58 123.91 2dnq h GLU 15 Ca -0.36 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 2dnq h GLU 15 Cb 1.18 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2dnq h GLU 15 CO 0.64 0.46 -0.11 -0.56 -1.00 0.00 0.00 179.01 178.44 2dnq h GLN 16 N 0.72 0.09 -0.34 2.33 3.07 -1.96 -1.26 115.11 117.76 2dnq h GLN 16 Ca 0.21 -0.09 0.06 0.00 0.09 0.00 0.00 58.65 58.92 2dnq h GLN 16 Cb -0.04 0.02 -0.06 0.00 0.08 0.00 0.00 27.48 27.48 2dnq h GLN 16 CO -0.05 0.80 -0.03 0.93 0.09 0.00 0.00 178.83 180.57 2dnq h GLU 17 N -0.58 0.05 0.08 0.06 5.08 -1.90 0.22 114.58 117.59 2dnq h GLU 17 Ca -0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2dnq h GLU 17 Cb 0.83 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2dnq h GLU 17 CO 0.02 0.04 -0.04 0.82 -1.00 0.00 0.00 179.01 178.85 2dnq h ILE 18 N 0.06 1.13 -0.93 3.13 1.08 -1.35 -2.67 117.51 117.96 2dnq h ILE 18 Ca 0.16 -0.80 0.15 0.00 -0.39 0.00 0.00 64.86 63.98 2dnq h ILE 18 Cb 0.24 1.64 -0.09 0.00 -3.07 0.00 0.00 36.82 35.54 2dnq h ILE 18 CO -0.30 0.20 0.54 -0.09 -0.69 0.00 0.00 178.15 177.80 2dnq h ARG 19 N -0.48 0.76 -0.48 2.37 1.12 -0.97 -1.11 114.38 115.59 2dnq h ARG 19 Ca -0.01 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 2dnq h ARG 19 Cb 0.41 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 30.17 2dnq h ARG 19 CO 0.02 0.50 0.25 1.03 -3.11 0.00 0.00 179.97 178.66 2dnq h SER 20 N 0.78 0.61 -0.57 -3.80 0.87 -0.51 -1.73 113.55 109.21 2dnq h SER 20 Ca 0.50 -0.11 0.16 0.00 -1.23 0.00 0.00 61.79 61.11 2dnq h SER 20 Cb 0.64 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2dnq h SER 20 CO -0.33 0.55 0.53 -0.07 -0.53 0.00 0.00 176.83 176.98 2dnq h LEU 21 N 0.63 0.00 0.00 2.23 3.38 -0.84 0.28 115.31 120.99 2dnq h LEU 21 Ca 0.17 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.86 2dnq h LEU 21 Cb 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2dnq h LEU 21 CO -0.02 0.00 -1.66 -0.26 0.09 0.00 0.00 178.44 176.59 2dnq h PHE 22 N 0.00 0.00 0.00 1.13 0.04 -1.24 -3.33 116.94 113.55 2dnq h PHE 22 Ca 0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.04 2dnq h PHE 22 Cb 1.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.47 2dnq h PHE 22 CO 0.00 0.96 0.00 0.39 -0.60 0.00 0.00 178.31 179.06 2dnq n GLU 23 N -3.04 0.07 0.07 1.51 1.02 0.98 -0.00 120.64 121.26 2dnq n GLU 23 Ca -0.16 0.55 0.01 0.00 -0.02 0.00 0.00 57.16 57.54 2dnq n GLU 23 Cb 1.03 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 30.70 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 -0.01 3.49 4.20 -1.63 -3.34 115.11 117.82 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 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2dnq h GLN 24 CO 0.00 0.40 -0.05 0.66 -0.67 0.00 0.00 178.83 179.17 2dnq n TYR 25 N -3.03 0.00 0.00 2.96 4.02 0.15 -5.06 117.16 116.20 2dnq n TYR 25 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 2dnq n TYR 25 Cb 0.80 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.12 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 0.58 3.67 3.72 2.72 0.00 1.00 -4.69 105.19 112.19 2dnq n GLY 26 Ca 0.05 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.91 2.23 0.20 1.61 2.20 -1.26 -2.99 119.74 119.83 2dnq s LYS 27 Ca 0.00 1.93 0.08 0.00 -0.36 0.00 0.00 55.97 57.62 2dnq s LYS 27 Cb 0.00 -1.82 -0.04 0.00 -1.51 0.00 0.00 37.83 34.45 2dnq s LYS 27 CO 0.00 -1.81 -0.02 0.08 -0.36 0.00 0.00 175.35 173.24 2dnq s VAL 28 N -1.70 3.52 -0.06 4.02 1.01 -1.26 -1.35 120.40 124.57 2dnq s VAL 28 Ca 0.79 -1.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2dnq s VAL 28 Cb -0.34 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2dnq s VAL 28 CO 0.43 -0.19 -0.11 0.18 0.00 0.00 0.00 175.10 175.41 2dnq n LEU 29 N -0.34 0.73 -4.12 3.92 4.77 0.11 -4.92 117.00 117.16 2dnq n LEU 29 Ca -0.09 0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 2dnq n LEU 29 Cb 0.56 -0.29 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 2dnq n LEU 29 CO 0.38 0.02 -0.47 -1.61 -1.33 0.00 0.00 177.39 174.39 2dnq s GLU 30 N -2.17 1.01 -0.21 3.23 2.02 -1.25 -4.97 118.70 116.35 2dnq s GLU 30 Ca -0.11 -0.62 -0.04 0.00 0.02 0.00 0.00 54.97 54.23 2dnq s GLU 30 Cb 0.04 -1.00 0.10 0.00 0.10 0.00 0.00 34.13 33.37 2dnq s GLU 30 CO 0.14 0.26 0.25 0.00 0.02 0.00 0.00 175.26 175.93 2dnq s ASP 32 N 2.36 3.13 -0.24 0.00 1.11 -0.86 -4.90 116.67 117.27 2dnq s ASP 32 Ca 0.08 -1.13 -0.03 0.00 0.18 0.00 0.00 52.55 51.65 2dnq s ASP 32 Cb -0.16 -0.23 0.11 0.00 1.07 0.00 0.00 42.92 43.71 2dnq s ASP 32 CO -0.13 -0.20 0.27 -0.63 1.18 0.00 0.00 175.17 175.65 2dnq s ILE 33 N -2.81 -0.39 0.16 0.77 1.01 -1.26 -1.66 121.20 117.02 2dnq s ILE 33 Ca 0.29 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 2dnq s ILE 33 Cb 0.01 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 2dnq s ILE 33 CO 0.13 -0.28 0.24 -0.63 0.00 0.00 0.00 174.94 174.39 2dnq s ILE 34 N 2.37 0.07 -1.02 2.92 1.01 0.21 -4.90 121.20 121.85 2dnq s ILE 34 Ca 0.09 -1.51 -0.13 0.00 0.00 0.00 0.00 60.65 59.09 2dnq s ILE 34 Cb -0.15 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.43 2dnq s ILE 34 CO -0.19 -0.32 0.25 0.29 0.00 0.00 0.00 174.94 174.97 2dnq n LYS 35 N -0.20 -0.68 -4.15 2.79 5.02 -1.26 0.20 118.16 119.89 2dnq n LYS 35 Ca -0.07 -0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.88 2dnq n LYS 35 Cb 0.63 -2.09 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 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 -1.69 -2.16 -3.69 4.39 3.02 -1.26 -4.93 115.26 108.94 2dnq n ASN 36 Ca -0.16 -1.02 -0.14 0.00 -0.03 0.00 0.00 54.58 53.23 2dnq n ASN 36 Cb 0.46 -2.79 -0.07 0.00 -0.61 0.00 0.00 39.78 36.77 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 -3.56 -0.27 -0.00 3.10 -0.85 0.52 -3.37 117.35 112.92 2dnq s TYR 37 Ca 0.47 0.34 0.02 0.00 -0.52 0.00 0.00 57.07 57.39 2dnq s TYR 37 Cb -0.26 0.19 -0.01 0.00 0.38 0.00 0.00 41.96 42.26 2dnq s TYR 37 CO 0.92 -0.50 -0.07 0.20 -1.52 0.00 0.00 175.55 174.58 2dnq s GLY 38 N -1.63 0.35 -0.20 5.49 0.00 0.75 0.64 107.32 112.72 2dnq s GLY 38 Ca -0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 44.72 44.28 2dnq s GLY 38 CO 0.02 -0.28 -0.09 -1.36 0.00 0.00 0.00 173.10 171.39 2dnq s PHE 39 N -0.22 2.90 -0.10 1.90 0.08 -0.67 -0.88 117.98 120.98 2dnq s PHE 39 Ca 0.02 -1.08 0.04 0.00 0.12 0.00 0.00 56.93 56.03 2dnq s PHE 39 Cb -0.03 -2.03 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 2dnq s PHE 39 CO -0.00 -0.57 -0.23 0.08 -0.10 0.00 0.00 175.22 174.39 2dnq s VAL 40 N 1.30 2.03 -0.44 -0.44 1.01 -0.84 -2.03 120.40 121.00 2dnq s VAL 40 Ca 0.04 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 2dnq s VAL 40 Cb -0.14 -1.76 0.11 0.00 0.00 0.00 0.00 36.38 34.58 2dnq s VAL 40 CO -0.05 0.55 0.27 -1.00 0.00 0.00 0.00 175.10 174.88 2dnq s HIS 41 N 0.40 3.45 0.87 5.22 0.09 -0.62 1.00 115.29 125.69 2dnq s HIS 41 Ca -0.18 -1.96 -0.12 0.00 -0.00 0.00 0.00 55.06 52.81 2dnq s HIS 41 Cb -0.18 -3.25 0.11 0.00 -0.00 0.00 0.00 32.58 29.26 2dnq s HIS 41 CO 0.08 -0.95 1.11 -1.50 -0.00 0.00 0.00 174.74 173.47 2dnq s ILE 42 N 1.31 2.58 0.00 0.60 2.07 -0.70 0.04 121.20 127.09 2dnq s ILE 42 Ca 0.05 0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.48 2dnq s ILE 42 Cb -0.24 -2.87 0.00 0.00 0.13 0.00 0.00 42.46 39.48 2dnq s ILE 42 CO -0.01 -0.24 0.46 1.21 -1.91 0.00 0.00 174.94 174.45 2dnq n GLU 43 N -3.68 0.00 -4.21 3.50 2.13 -0.45 -2.68 120.64 115.24 2dnq n GLU 43 Ca 0.07 0.36 -0.31 0.00 0.66 0.00 0.00 57.16 57.93 2dnq n GLU 43 Cb 0.57 -1.13 -0.08 0.00 0.27 0.00 0.00 31.44 31.07 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 -2.20 5.04 0.10 4.31 -4.77 -1.26 -3.97 116.67 113.93 2dnq s ASP 44 Ca 0.00 -0.10 -0.31 0.00 -3.30 0.00 0.00 52.55 48.83 2dnq s ASP 44 Cb 0.00 -1.25 -0.12 0.00 -1.09 0.00 0.00 42.92 40.46 2dnq s ASP 44 CO 0.00 0.22 1.60 0.50 0.70 0.00 0.00 175.17 178.19 2dnq h LYS 45 N 3.87 -0.69 -1.58 2.11 3.64 -1.90 -0.91 116.57 121.11 2dnq h LYS 45 Ca -0.48 0.05 0.46 0.00 -1.27 0.00 0.00 60.65 59.40 2dnq h LYS 45 Cb 1.17 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 33.08 2dnq h LYS 45 CO 0.58 -0.46 1.29 1.15 -2.27 0.00 0.00 179.45 179.74 2dnq h THR 46 N -0.71 0.05 -0.09 1.00 2.02 -2.00 1.58 112.91 114.76 2dnq h THR 46 Ca -0.00 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.94 2dnq h THR 46 Cb 0.69 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2dnq h THR 46 CO -0.15 0.00 -0.88 0.00 0.37 0.00 0.00 175.52 174.86 2dnq h ALA 47 N 0.91 0.26 0.12 6.16 0.00 -1.44 -3.28 119.26 121.99 2dnq h ALA 47 Ca 0.75 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2dnq h ALA 47 Cb 3.32 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 21.10 2dnq h ALA 47 CO -0.01 0.69 -0.14 0.00 0.00 0.00 0.00 179.25 179.80 2dnq h ALA 48 N 0.52 -0.25 -1.03 0.00 0.00 0.24 -1.69 119.26 117.05 2dnq h ALA 48 Ca -0.08 -0.03 0.29 0.00 0.00 0.00 0.00 54.91 55.09 2dnq h ALA 48 Cb 1.51 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 2dnq h ALA 48 CO 0.18 -0.66 0.72 0.93 0.00 0.00 0.00 179.25 180.42 2dnq h GLU 49 N -0.29 0.10 0.03 0.00 5.08 -1.59 0.64 114.58 118.55 2dnq h GLU 49 Ca 0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dnq h GLU 49 Cb 0.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2dnq h GLU 49 CO -0.05 0.06 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.57 2dnq h ASP 50 N 0.10 -0.04 0.21 1.42 3.32 -1.38 -3.12 116.42 116.93 2dnq h ASP 50 Ca 0.51 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2dnq h ASP 50 Cb 1.84 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.40 2dnq h ASP 50 CO -0.07 0.56 -0.10 0.00 -1.72 0.00 0.00 179.24 177.91 2dnq h ALA 51 N 0.25 -0.41 -0.69 3.45 0.00 -0.51 -3.29 119.26 118.06 2dnq h ALA 51 Ca -0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2dnq h ALA 51 Cb 0.60 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 2dnq h ALA 51 CO 0.01 -0.39 -0.41 -0.89 0.00 0.00 0.00 179.25 177.57 2dnq n ILE 52 N -3.93 -0.47 -0.26 0.00 5.41 0.21 0.45 119.36 120.77 2dnq n ILE 52 Ca -0.04 1.73 -0.07 0.00 1.00 0.00 0.00 62.75 65.38 2dnq n ILE 52 Cb 0.11 -2.15 -0.06 0.00 -0.71 0.00 0.00 39.64 36.83 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 -4.79 -0.27 0.13 0.38 0.63 -1.18 0.27 116.66 111.83 2dnq n ARG 53 Ca 0.01 1.30 -0.05 0.00 -0.92 0.00 0.00 57.85 58.19 2dnq n ARG 53 Cb 0.18 -1.92 -0.03 0.00 0.45 0.00 0.00 32.46 31.15 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 -0.30 -1.03 6.15 2.35 -0.91 -3.08 115.58 118.75 2dnq h ASN 54 Ca 0.10 0.01 0.35 0.00 -0.55 0.00 0.00 56.30 56.21 2dnq h ASN 54 Cb 0.26 0.08 -0.10 0.00 0.05 0.00 0.00 38.32 38.60 2dnq h ASN 54 CO -0.59 -0.16 0.66 0.18 -1.65 0.00 0.00 177.43 175.88 2dnq n LEU 55 N -3.24 0.15 -4.67 1.61 4.77 0.17 -4.36 117.00 111.43 2dnq n LEU 55 Ca -0.04 1.00 -0.52 0.00 -0.03 0.00 0.00 56.01 56.42 2dnq n LEU 55 Cb 0.14 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 2dnq n LEU 55 CO 0.11 -1.09 1.27 1.57 -1.33 0.00 0.00 177.39 177.92 2dnq n HIS 56 N -4.12 2.07 -2.91 -1.77 -0.00 0.14 -0.32 115.22 108.31 2dnq n HIS 56 Ca 0.30 0.34 -0.20 0.00 0.46 0.00 0.00 57.72 58.62 2dnq n HIS 56 Cb 1.16 -2.51 0.03 0.00 -0.12 0.00 0.00 29.99 28.55 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 4.88 -1.72 -2.66 1.57 8.25 -0.95 -4.95 115.22 119.64 2dnq n HIS 57 Ca 0.22 0.45 -0.42 0.00 -0.26 0.00 0.00 57.72 57.71 2dnq n HIS 57 Cb 0.22 -4.12 -0.03 0.00 1.12 0.00 0.00 29.99 27.18 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 -3.11 3.47 -0.37 4.41 6.14 0.56 -4.74 117.35 123.71 2dnq s TYR 58 Ca 0.26 1.54 -0.27 0.00 0.64 0.00 0.00 57.07 59.24 2dnq s TYR 58 Cb -0.11 -3.22 -0.05 0.00 0.42 0.00 0.00 41.96 39.00 2dnq s TYR 58 CO 0.32 -0.37 2.16 0.21 0.64 0.00 0.00 175.55 178.51 2dnq s LYS 59 N 2.03 2.78 -0.55 4.97 2.20 -1.25 -3.63 119.74 126.28 2dnq s LYS 59 Ca 0.49 1.56 0.04 0.00 -0.36 0.00 0.00 55.97 57.71 2dnq s LYS 59 Cb -0.19 -4.41 0.14 0.00 -1.51 0.00 0.00 37.83 31.86 2dnq s LYS 59 CO 0.19 -2.50 0.31 -1.17 -0.36 0.00 0.00 175.35 171.81 2dnq s LEU 60 N 9.37 4.32 -0.44 5.43 2.96 -0.56 -4.76 118.68 134.99 2dnq s LEU 60 Ca 0.92 -3.18 -0.01 0.00 -0.22 0.00 0.00 54.13 51.65 2dnq s LEU 60 Cb -0.24 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.85 2dnq s LEU 60 CO 0.30 -0.20 0.37 1.41 -1.32 0.00 0.00 176.35 176.91 2dnq n HIS 61 N 2.88 -0.84 -2.73 5.38 8.25 -1.26 -3.56 115.22 123.34 2dnq n HIS 61 Ca 0.08 0.34 -0.15 0.00 -0.26 0.00 0.00 57.72 57.74 2dnq n HIS 61 Cb 0.33 -2.96 0.02 0.00 1.12 0.00 0.00 29.99 28.50 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 -1.05 -0.13 3.04 -1.41 0.00 -1.26 -5.02 105.19 99.36 2dnq n GLY 62 Ca -0.08 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.94 0.27 -0.79 1.61 0.11 -1.23 -5.11 120.40 112.32 2dnq s VAL 63 Ca 0.19 -1.22 -0.03 0.00 -2.93 0.00 0.00 61.98 57.99 2dnq s VAL 63 Cb -0.08 -0.72 0.20 0.00 -1.53 0.00 0.00 36.38 34.24 2dnq s VAL 63 CO 0.23 -0.61 0.65 0.20 -3.33 0.00 0.00 175.10 172.24 2dnq s ASN 64 N -1.93 5.73 1.20 3.54 -0.87 -1.26 -1.50 114.94 119.84 2dnq s ASN 64 Ca -0.07 -3.35 -0.13 0.00 -1.57 0.00 0.00 52.86 47.73 2dnq s ASN 64 Cb -0.05 -1.90 0.29 0.00 -0.02 0.00 0.00 41.25 39.58 2dnq s ASN 64 CO -0.03 -0.27 0.97 2.30 -2.57 0.00 0.00 177.10 177.50 2dnq n ILE 65 N 2.84 0.00 -3.87 0.60 -5.35 -1.24 -4.81 119.36 107.52 2dnq n ILE 65 Ca 0.16 -0.47 -0.29 0.00 -0.27 0.00 0.00 62.75 61.88 2dnq n ILE 65 Cb 0.38 -0.98 -0.16 0.00 -1.74 0.00 0.00 39.64 37.13 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 -2.36 3.10 -0.18 7.28 0.01 -0.90 -2.24 114.94 119.65 2dnq s ASN 66 Ca 0.68 -0.82 -0.07 0.00 -0.71 0.00 0.00 52.86 51.95 2dnq s ASN 66 Cb -0.25 -0.92 -0.04 0.00 0.41 0.00 0.00 41.25 40.45 2dnq s ASN 66 CO 0.66 -0.22 0.04 -0.69 -1.51 0.00 0.00 177.10 175.38 2dnq s VAL 67 N 1.61 4.59 -0.26 1.60 1.01 -1.26 -1.95 120.40 125.74 2dnq s VAL 67 Ca -0.01 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.65 2dnq s VAL 67 Cb -0.16 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 33.22 2dnq s VAL 67 CO -0.07 0.46 0.68 -1.83 0.00 0.00 0.00 175.10 174.33 2dnq s GLU 68 N 0.46 0.77 0.55 2.72 -1.05 -0.75 -4.77 118.70 116.62 2dnq s GLU 68 Ca 0.02 1.01 -0.20 0.00 -0.15 0.00 0.00 54.97 55.65 2dnq s GLU 68 Cb -0.13 0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 33.81 2dnq s GLU 68 CO 0.01 -0.11 0.91 0.00 0.95 0.00 0.00 175.26 177.02 2dnq n ALA 69 N 3.12 -0.01 -0.04 -0.84 0.00 -1.26 -0.97 120.51 120.51 2dnq n ALA 69 Ca -0.16 0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 2dnq n ALA 69 Cb 0.56 -2.06 -0.00 0.00 0.00 0.00 0.00 19.45 17.95 2dnq n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dnq h SER 70 N 0.72 0.00 -2.76 0.00 0.87 -1.90 -3.42 113.55 107.05 2dnq h SER 70 Ca -0.47 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.52 2dnq h SER 70 Cb 1.36 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.30 2dnq h SER 70 CO 0.52 0.42 1.14 -0.75 -0.53 0.00 0.00 176.83 177.62 2dnq s LYS 71 N -1.56 3.77 -0.48 2.24 2.36 -1.26 -4.91 119.74 119.89 2dnq s LYS 71 Ca -0.04 1.65 -0.27 0.00 -2.55 0.00 0.00 55.97 54.76 2dnq s LYS 71 Cb 0.01 -4.05 -0.05 0.00 -1.05 0.00 0.00 37.83 32.69 2dnq s LYS 71 CO 0.06 -1.33 2.16 -0.80 1.55 0.00 0.00 175.35 176.98 2dnq s ASN 72 N 4.34 4.96 0.83 1.43 0.01 -1.26 -4.94 114.94 120.31 2dnq s ASN 72 Ca 0.72 0.97 -0.13 0.00 -0.71 0.00 0.00 52.86 53.71 2dnq s ASN 72 Cb -0.25 -2.51 0.10 0.00 0.41 0.00 0.00 41.25 39.00 2dnq s ASN 72 CO 0.30 -2.50 1.19 -1.59 -1.51 0.00 0.00 177.10 172.99 2dnq s LYS 73 N 7.40 1.51 0.13 -0.60 0.00 -1.26 -5.04 119.74 121.87 2dnq s LYS 73 Ca 0.87 1.71 0.05 0.00 0.00 0.00 0.00 55.97 58.60 2dnq s LYS 73 Cb -0.18 -1.77 -0.04 0.00 0.00 0.00 0.00 37.83 35.84 2dnq s LYS 73 CO 0.26 -2.30 -0.12 -1.12 0.00 0.00 0.00 175.35 172.07 2dnq s SER 74 N -2.27 1.84 -0.61 0.03 0.01 -1.26 -5.07 113.70 106.38 2dnq s SER 74 Ca 0.72 -0.88 -0.28 0.00 1.31 0.00 0.00 55.95 56.82 2dnq s SER 74 Cb -0.27 -0.04 -0.11 0.00 0.21 0.00 0.00 66.02 65.81 2dnq s SER 74 CO 0.52 -0.23 2.47 0.29 0.41 0.00 0.00 173.24 176.71 2dnq n LYS 75 N 0.28 0.80 -4.67 12.44 5.02 -1.26 -4.92 118.16 125.85 2dnq n LYS 75 Ca -0.14 0.03 -0.33 0.00 -2.02 0.00 0.00 58.31 55.85 2dnq n LYS 75 Cb 0.58 -2.88 -0.13 0.00 -0.02 0.00 0.00 35.03 32.58 2dnq n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dnq s ALA 76 N 11.01 2.81 -0.30 7.82 0.00 -1.26 -5.01 121.76 136.83 2dnq s ALA 76 Ca 1.09 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 2dnq s ALA 76 Cb -0.50 -1.26 0.14 0.00 0.00 0.00 0.00 23.12 21.50 2dnq s ALA 76 CO 0.34 0.37 2.24 0.45 0.00 0.00 0.00 175.76 179.16 2dnq n SER 77 N 3.01 6.31 -4.26 0.00 2.88 -1.26 -4.87 113.62 115.42 2dnq n SER 77 Ca -0.18 -3.00 -0.14 0.00 -1.33 0.00 0.00 58.87 54.22 2dnq n SER 77 Cb 0.53 -1.12 -0.10 0.00 -0.75 0.00 0.00 64.21 62.77 2dnq n SER 77 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dnq s SER 78 N 0.48 0.81 -0.32 -3.46 0.15 -1.26 -5.14 113.70 104.95 2dnq s SER 78 Ca 0.35 -1.35 0.04 0.00 0.70 0.00 0.00 55.95 55.69 2dnq s SER 78 Cb 0.25 0.24 0.17 0.00 -1.71 0.00 0.00 66.02 64.97 2dnq s SER 78 CO -0.04 -0.75 0.48 -0.83 1.20 0.00 0.00 173.24 173.29 2dnq s GLY 79 N -3.23 -0.74 0.30 9.45 0.00 -1.26 -5.03 107.32 106.81 2dnq s GLY 79 Ca 0.36 0.19 0.04 0.00 0.00 0.00 0.00 44.72 45.31 2dnq s GLY 79 CO 0.11 3.23 1.62 -2.55 0.00 0.00 0.00 173.10 175.51 2dnq h PRO 80 N 7.75 0.13 -5.09 2.90 0.11 -1.97 -3.36 132.00 132.47 2dnq h PRO 80 Ca -0.03 -0.01 -0.64 0.00 0.11 0.00 0.00 66.00 65.44 2dnq h PRO 80 Cb 1.13 -0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.01 2dnq h PRO 80 CO 0.20 0.08 -0.62 -1.12 -0.21 0.00 0.00 178.00 176.34 2dnq s SER 81 N -5.00 5.21 -0.82 -2.05 0.01 -1.26 -4.96 113.70 104.83 2dnq s SER 81 Ca -0.12 -0.12 -0.25 0.00 1.31 0.00 0.00 55.95 56.77 2dnq s SER 81 Cb 0.28 -1.91 -0.07 0.00 0.21 0.00 0.00 66.02 64.53 2dnq s SER 81 CO 0.77 0.05 2.06 -0.55 0.41 0.00 0.00 173.24 175.99 2dnq s SER 82 N 1.10 4.84 0.00 2.44 0.15 -1.26 -5.21 113.70 115.77 2dnq s SER 82 Ca 0.04 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2dnq s SER 82 Cb -0.14 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2dnq s SER 82 CO 0.03 -2.97 0.00 0.61 1.20 0.00 0.00 173.24 172.11