#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 6.62 0.74 1.61 1.04 -1.26 -5.01 113.70 117.43 2dnq s SER -5 Ca 0.00 2.75 -0.09 0.00 0.48 0.00 0.00 55.95 59.10 2dnq s SER -5 Cb 0.00 -2.64 0.06 0.00 0.10 0.00 0.00 66.02 63.55 2dnq s SER -5 CO 0.00 -0.70 1.07 -0.94 0.98 0.00 0.00 173.24 173.65 2dnq s SER -4 N 0.07 4.77 -0.24 7.02 1.04 -1.26 -5.10 113.70 120.00 2dnq s SER -4 Ca 0.56 0.61 -0.32 0.00 0.48 0.00 0.00 55.95 57.27 2dnq s SER -4 Cb -0.42 -1.23 0.16 0.00 0.10 0.00 0.00 66.02 64.63 2dnq s SER -4 CO 0.49 -1.67 1.26 -0.83 0.98 0.00 0.00 173.24 173.48 2dnq s GLY -3 N -4.52 -0.12 0.07 7.32 0.00 -1.26 -5.19 107.32 103.62 2dnq s GLY -3 Ca 0.60 2.21 -0.26 0.00 0.00 0.00 0.00 44.72 47.27 2dnq s GLY -3 CO 0.46 0.85 0.76 -0.45 0.00 0.00 0.00 173.10 174.73 2dnq s SER -2 N -1.53 -0.45 -0.09 1.64 0.15 -1.26 -5.16 113.70 107.00 2dnq s SER -2 Ca 0.08 -0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.73 2dnq s SER -2 Cb -0.01 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 64.80 2dnq s SER -2 CO -0.05 -0.78 -0.10 -0.94 1.20 0.00 0.00 173.24 172.57 2dnq s SER -1 N -2.61 1.94 0.00 5.45 1.04 -1.26 -5.04 113.70 113.23 2dnq s SER -1 Ca 0.03 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2dnq s SER -1 Cb -0.01 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.27 2dnq s SER -1 CO -0.10 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2dnq n GLY 0 N 4.28 0.61 3.66 7.32 0.00 -1.26 -5.12 105.19 114.69 2dnq n GLY 0 Ca -0.19 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.00 0.22 -0.20 1.61 0.00 -1.22 -4.34 119.30 113.37 2dnq s MET 1 Ca 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 55.69 56.13 2dnq s MET 1 Cb 0.00 -1.72 0.07 0.00 0.00 0.00 0.00 34.83 33.19 2dnq s MET 1 CO 0.00 -2.87 0.12 0.08 0.00 0.00 0.00 175.02 172.35 2dnq s VAL 2 N -2.94 -0.12 0.42 5.16 1.01 -0.61 -4.93 120.40 118.38 2dnq s VAL 2 Ca 0.66 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.09 2dnq s VAL 2 Cb -0.19 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 2dnq s VAL 2 CO 0.58 -0.37 1.36 -0.75 0.00 0.00 0.00 175.10 175.92 2dnq s LYS 3 N 2.16 3.89 -0.08 2.72 2.20 -1.26 -1.69 119.74 127.68 2dnq s LYS 3 Ca 0.04 2.28 0.03 0.00 -0.36 0.00 0.00 55.97 57.95 2dnq s LYS 3 Cb -0.16 -2.74 0.01 0.00 -1.51 0.00 0.00 37.83 33.43 2dnq s LYS 3 CO -0.16 -0.60 -0.16 -0.51 -0.36 0.00 0.00 175.35 173.57 2dnq s LEU 4 N -2.49 1.77 -0.20 5.43 1.43 0.16 -3.33 118.68 121.46 2dnq s LEU 4 Ca 0.58 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 53.12 2dnq s LEU 4 Cb -0.41 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2dnq s LEU 4 CO 0.53 0.07 0.47 0.12 0.23 0.00 0.00 176.35 177.76 2dnq s PHE 5 N 0.62 3.38 -0.21 0.29 2.19 -0.55 -1.82 117.98 121.87 2dnq s PHE 5 Ca -0.15 0.71 -0.00 0.00 0.33 0.00 0.00 56.93 57.82 2dnq s PHE 5 Cb -0.16 -2.61 0.05 0.00 -1.31 0.00 0.00 43.02 38.99 2dnq s PHE 5 CO 0.05 -0.06 -0.05 0.42 1.83 0.00 0.00 175.22 177.41 2dnq s ILE 6 N 1.48 1.30 0.40 3.12 1.01 -0.38 -1.44 121.20 126.69 2dnq s ILE 6 Ca 0.22 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 59.99 2dnq s ILE 6 Cb -0.15 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2dnq s ILE 6 CO 0.09 -0.02 0.26 -0.83 0.00 0.00 0.00 174.94 174.43 2dnq s GLY 7 N 1.52 2.17 -0.93 6.18 0.00 -0.74 -0.70 107.32 114.81 2dnq s GLY 7 Ca -0.03 -1.95 -0.02 0.00 0.00 0.00 0.00 44.72 42.72 2dnq s GLY 7 CO -0.07 -1.79 0.79 -2.01 0.00 0.00 0.00 173.10 170.02 2dnq n ASN 8 N -1.35 -3.31 -4.87 1.64 5.15 -1.21 -1.45 115.26 109.87 2dnq n ASN 8 Ca 0.00 -0.53 -0.36 0.00 -0.60 0.00 0.00 54.58 53.10 2dnq n ASN 8 Cb 0.63 -4.27 -0.06 0.00 -0.53 0.00 0.00 39.78 35.55 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 -5.33 4.39 0.00 1.20 1.43 -1.17 -4.11 118.68 115.09 2dnq s LEU 9 Ca 0.13 0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 53.74 2dnq s LEU 9 Cb -0.02 -2.63 0.22 0.00 0.03 0.00 0.00 46.19 43.80 2dnq s LEU 9 CO 0.59 0.27 1.19 -0.81 0.23 0.00 0.00 176.35 177.83 2dnq n PRO 10 N 1.34 -1.57 0.04 1.29 -0.04 -1.26 -4.89 135.00 129.91 2dnq n PRO 10 Ca -0.12 -1.85 -0.07 0.00 -0.04 0.00 0.00 63.50 61.42 2dnq n PRO 10 Cb 0.53 -1.32 -0.12 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.00 -0.04 0.54 2.43 -1.98 -3.30 114.38 112.03 2dnq h ARG 11 Ca -0.40 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.63 2dnq h ARG 11 Cb 1.11 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 2dnq h ARG 11 CO 0.27 0.77 -0.63 0.93 -1.51 0.00 0.00 179.97 179.81 2dnq h GLU 12 N 0.00 0.14 -6.15 0.20 5.08 -1.97 -3.45 114.58 108.42 2dnq h GLU 12 Ca -0.11 -0.10 -0.68 0.00 -1.00 0.00 0.00 59.36 57.47 2dnq h GLU 12 Cb 1.82 0.02 0.09 0.00 0.50 0.00 0.00 28.75 31.17 2dnq h GLU 12 CO 0.11 0.72 -0.10 0.00 -1.00 0.00 0.00 179.01 178.74 2dnq n ALA 13 N -2.45 -2.11 -2.73 3.43 0.00 -1.25 -4.98 120.51 110.43 2dnq n ALA 13 Ca -0.02 0.47 -0.17 0.00 0.00 0.00 0.00 53.44 53.72 2dnq n ALA 13 Cb 0.63 -1.81 -0.13 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.57 0.72 0.30 0.00 -4.23 -1.26 -5.00 115.64 105.60 2dnq s THR 14 Ca 0.71 -0.68 0.08 0.00 -1.18 0.00 0.00 61.69 60.62 2dnq s THR 14 Cb -0.95 -0.67 0.35 0.00 1.34 0.00 0.00 72.50 72.58 2dnq s THR 14 CO 0.56 -0.00 1.41 -0.62 -0.54 0.00 0.00 174.62 175.42 2dnq n GLU 15 N 2.29 -0.06 0.24 3.99 1.02 -1.26 -0.84 120.64 126.01 2dnq n GLU 15 Ca -0.17 1.30 -0.09 0.00 -0.02 0.00 0.00 57.16 58.18 2dnq n GLU 15 Cb 0.56 -2.17 -0.04 0.00 -0.02 0.00 0.00 31.44 29.77 2dnq n GLU 15 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2dnq h GLN 16 N 0.00 -0.59 -0.83 3.49 4.15 -1.95 0.03 115.11 119.41 2dnq h GLN 16 Ca 0.63 0.04 0.23 0.00 0.77 0.00 0.00 58.65 60.32 2dnq h GLN 16 Cb 1.46 0.13 -0.15 0.00 0.21 0.00 0.00 27.48 29.13 2dnq h GLN 16 CO -0.78 -0.39 0.04 0.39 -1.93 0.00 0.00 178.83 176.15 2dnq n GLU 17 N -3.89 -0.07 0.08 1.69 -0.58 -0.02 0.13 120.64 117.99 2dnq n GLU 17 Ca -0.08 1.24 -0.12 0.00 -0.42 0.00 0.00 57.16 57.78 2dnq n GLU 17 Cb 0.24 -1.98 -0.08 0.00 -0.57 0.00 0.00 31.44 29.05 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 0.90 -0.75 -3.67 1.08 -1.31 -2.51 117.51 111.25 2dnq h ILE 18 Ca 0.51 -0.90 0.17 0.00 -0.39 0.00 0.00 64.86 64.25 2dnq h ILE 18 Cb 1.08 1.40 -0.12 0.00 -3.07 0.00 0.00 36.82 36.11 2dnq h ILE 18 CO -0.77 0.19 0.12 -0.09 -0.69 0.00 0.00 178.15 176.91 2dnq h ARG 19 N -0.73 0.19 0.59 2.37 2.43 0.17 -1.72 114.38 117.69 2dnq h ARG 19 Ca -0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2dnq h ARG 19 Cb 0.50 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2dnq h ARG 19 CO 0.04 0.13 -0.28 1.03 -1.51 0.00 0.00 179.97 179.37 2dnq h SER 20 N 0.20 -0.67 -1.51 -3.80 0.87 -0.79 0.62 113.55 108.47 2dnq h SER 20 Ca 0.43 -0.00 0.46 0.00 -1.23 0.00 0.00 61.79 61.44 2dnq h SER 20 Cb 0.75 0.17 -0.10 0.00 -0.44 0.00 0.00 62.40 62.79 2dnq h SER 20 CO -0.58 -0.43 1.04 -0.07 -0.53 0.00 0.00 176.83 176.26 2dnq h LEU 21 N -0.87 0.14 0.00 2.23 3.38 -0.86 1.64 115.31 120.96 2dnq h LEU 21 Ca -0.08 0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2dnq h LEU 21 Cb 0.64 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2dnq h LEU 21 CO 0.13 -0.09 -1.44 -0.26 0.09 0.00 0.00 178.44 176.87 2dnq h PHE 22 N 0.05 0.00 0.00 1.13 0.04 -1.01 -3.32 116.94 113.84 2dnq h PHE 22 Ca 0.82 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.59 2dnq h PHE 22 Cb 2.90 0.00 0.00 0.00 2.20 0.00 0.00 35.95 41.05 2dnq h PHE 22 CO -0.00 0.73 0.00 0.39 -0.60 0.00 0.00 178.31 178.82 2dnq n GLU 23 N -2.98 0.08 0.16 1.51 -0.58 0.55 -1.13 120.64 118.26 2dnq n GLU 23 Ca -0.11 0.48 0.10 0.00 -0.42 0.00 0.00 57.16 57.21 2dnq n GLU 23 Cb 0.91 -1.72 0.08 0.00 -0.57 0.00 0.00 31.44 30.14 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 -0.02 3.49 4.20 -1.54 -3.31 115.11 117.93 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 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2dnq h GLN 24 CO 0.00 0.08 0.00 0.66 -0.67 0.00 0.00 178.83 178.90 2dnq n TYR 25 N -2.96 0.03 0.00 2.96 4.02 -0.28 -5.06 117.16 115.86 2dnq n TYR 25 Ca 0.02 -0.52 0.00 0.00 -0.01 0.00 0.00 57.90 57.39 2dnq n TYR 25 Cb 0.58 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 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 -0.48 4.28 3.75 2.72 0.00 -0.35 -4.58 105.19 110.52 2dnq n GLY 26 Ca 0.01 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.45 2.13 -3.96 1.61 4.81 -1.26 -3.21 118.16 116.83 2dnq n LYS 27 Ca 0.00 0.76 -0.35 0.00 -0.87 0.00 0.00 58.31 57.85 2dnq n LYS 27 Cb 0.00 -2.57 -0.06 0.00 0.02 0.00 0.00 35.03 32.42 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 -1.20 5.29 -0.26 3.15 1.01 -1.26 -1.11 120.40 126.02 2dnq s VAL 28 Ca 0.62 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 2dnq s VAL 28 Cb -0.46 -3.35 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 2dnq s VAL 28 CO 0.57 0.52 -0.33 0.18 0.00 0.00 0.00 175.10 176.03 2dnq n LEU 29 N 1.66 1.82 -4.11 3.92 4.77 0.57 -4.95 117.00 120.68 2dnq n LEU 29 Ca -0.17 0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 2dnq n LEU 29 Cb 0.54 -0.76 -0.11 0.00 -2.33 0.00 0.00 43.42 40.76 2dnq n LEU 29 CO 0.35 0.54 -0.41 -0.70 -1.33 0.00 0.00 177.39 175.83 2dnq s GLU 30 N -2.47 0.67 -0.25 3.23 2.12 -1.24 -4.98 118.70 115.76 2dnq s GLU 30 Ca -0.36 -0.92 -0.04 0.00 0.36 0.00 0.00 54.97 54.02 2dnq s GLU 30 Cb 0.14 -0.43 0.14 0.00 0.26 0.00 0.00 34.13 34.24 2dnq s GLU 30 CO 0.45 0.08 0.47 0.00 -0.54 0.00 0.00 175.26 175.72 2dnq s ASP 32 N 2.68 2.47 -0.24 0.00 1.11 -0.89 -4.92 116.67 116.88 2dnq s ASP 32 Ca 0.10 -1.14 -0.03 0.00 0.18 0.00 0.00 52.55 51.66 2dnq s ASP 32 Cb -0.14 -0.12 0.10 0.00 1.07 0.00 0.00 42.92 43.84 2dnq s ASP 32 CO -0.17 -0.33 0.21 -0.63 1.18 0.00 0.00 175.17 175.43 2dnq s ILE 33 N -3.10 -0.28 0.03 0.77 1.01 -1.26 -1.44 121.20 116.94 2dnq s ILE 33 Ca 0.27 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 2dnq s ILE 33 Cb 0.03 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 2dnq s ILE 33 CO 0.09 -0.40 0.11 -0.63 0.00 0.00 0.00 174.94 174.12 2dnq s ILE 34 N 2.27 0.12 -1.39 2.92 1.01 0.32 -4.89 121.20 121.56 2dnq s ILE 34 Ca 0.08 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 2dnq s ILE 34 Cb -0.15 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.52 2dnq s ILE 34 CO -0.23 -0.55 0.59 0.29 0.00 0.00 0.00 174.94 175.04 2dnq n LYS 35 N 0.88 -4.09 -2.51 2.79 5.02 -1.26 -0.18 118.16 118.82 2dnq n LYS 35 Ca -0.20 0.50 -0.14 0.00 -2.02 0.00 0.00 58.31 56.45 2dnq n LYS 35 Cb 0.58 -4.88 -0.01 0.00 -0.02 0.00 0.00 35.03 30.70 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 -2.99 -4.19 -3.91 4.39 3.02 -1.26 -4.93 115.26 105.39 2dnq n ASN 36 Ca -0.26 0.12 -0.09 0.00 -0.03 0.00 0.00 54.58 54.32 2dnq n ASN 36 Cb 0.66 -3.54 -0.09 0.00 -0.61 0.00 0.00 39.78 36.21 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 -2.70 0.18 0.03 3.10 -0.85 0.75 -3.06 117.35 114.81 2dnq s TYR 37 Ca 0.03 -0.47 0.03 0.00 -0.52 0.00 0.00 57.07 56.13 2dnq s TYR 37 Cb -0.02 -0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.18 2dnq s TYR 37 CO 0.04 -0.38 -0.09 0.20 -1.52 0.00 0.00 175.55 173.80 2dnq s GLY 38 N -2.15 0.52 -0.18 5.49 0.00 0.13 0.12 107.32 111.24 2dnq s GLY 38 Ca -0.04 -0.67 -0.00 0.00 0.00 0.00 0.00 44.72 44.00 2dnq s GLY 38 CO -0.05 -0.69 -0.16 -1.36 0.00 0.00 0.00 173.10 170.84 2dnq s PHE 39 N -1.02 2.81 -0.17 1.90 0.08 -0.52 -1.24 117.98 119.82 2dnq s PHE 39 Ca -0.05 -1.37 0.01 0.00 0.12 0.00 0.00 56.93 55.64 2dnq s PHE 39 Cb -0.08 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 2dnq s PHE 39 CO 0.01 -0.68 -0.18 0.08 -0.10 0.00 0.00 175.22 174.34 2dnq s VAL 40 N 1.22 2.32 -0.47 -0.44 1.01 -0.76 -2.10 120.40 121.19 2dnq s VAL 40 Ca 0.03 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 2dnq s VAL 40 Cb -0.14 -1.98 0.09 0.00 0.00 0.00 0.00 36.38 34.35 2dnq s VAL 40 CO -0.08 0.53 0.37 -1.00 0.00 0.00 0.00 175.10 174.92 2dnq s HIS 41 N 1.08 3.28 0.64 5.22 3.76 -0.70 0.40 115.29 128.97 2dnq s HIS 41 Ca -0.00 -1.19 -0.11 0.00 -0.15 0.00 0.00 55.06 53.61 2dnq s HIS 41 Cb -0.14 -3.23 -0.03 0.00 1.11 0.00 0.00 32.58 30.29 2dnq s HIS 41 CO -0.06 -0.85 1.04 -1.50 -0.85 0.00 0.00 174.74 172.51 2dnq s ILE 42 N 1.56 4.48 0.00 0.60 2.07 -0.68 -0.31 121.20 128.92 2dnq s ILE 42 Ca 0.04 0.82 0.00 0.00 -1.41 0.00 0.00 60.65 60.10 2dnq s ILE 42 Cb -0.25 -3.71 0.00 0.00 0.13 0.00 0.00 42.46 38.63 2dnq s ILE 42 CO 0.05 -1.03 0.75 1.21 -1.91 0.00 0.00 174.94 174.00 2dnq n GLU 43 N -2.81 0.00 -3.24 3.50 2.13 -0.26 -1.57 120.64 118.38 2dnq n GLU 43 Ca 0.07 0.40 -0.21 0.00 0.66 0.00 0.00 57.16 58.07 2dnq n GLU 43 Cb 0.54 -1.25 0.03 0.00 0.27 0.00 0.00 31.44 31.02 2dnq n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2dnq n ASP 44 N -1.48 2.29 -0.02 4.31 8.00 -1.26 -3.43 116.55 124.96 2dnq n ASP 44 Ca 0.00 -2.58 -0.00 0.00 0.71 0.00 0.00 54.79 52.92 2dnq n ASP 44 Cb 0.00 -0.20 -0.00 0.00 -0.02 0.00 0.00 41.12 40.90 2dnq n ASP 44 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2dnq h LYS 45 N 0.00 0.00 -1.55 -1.24 3.64 -1.89 -3.33 116.57 112.21 2dnq h LYS 45 Ca -0.28 0.00 0.46 0.00 -1.27 0.00 0.00 60.65 59.56 2dnq h LYS 45 Cb 1.15 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 2dnq h LYS 45 CO 0.43 0.00 1.10 2.41 -2.27 0.00 0.00 179.45 181.12 2dnq n THR 46 N -3.02 -0.04 -0.02 1.00 -1.04 -1.26 0.18 114.28 110.08 2dnq n THR 46 Ca -0.01 1.29 -0.12 0.00 -2.04 0.00 0.00 64.05 63.17 2dnq n THR 46 Cb 0.02 -2.14 -0.07 0.00 -1.82 0.00 0.00 70.33 66.32 2dnq n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dnq h ALA 47 N 0.92 0.11 -0.24 2.41 0.00 -1.84 -3.20 119.26 117.43 2dnq h ALA 47 Ca 0.77 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.60 2dnq h ALA 47 Cb 2.99 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 20.67 2dnq h ALA 47 CO -0.08 -0.25 -0.31 0.00 0.00 0.00 0.00 179.25 178.60 2dnq h ALA 48 N 0.79 -0.28 -0.09 0.00 0.00 0.18 -2.90 119.26 116.96 2dnq h ALA 48 Ca 0.03 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2dnq h ALA 48 Cb 0.27 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2dnq h ALA 48 CO 0.00 -0.76 -0.05 0.39 0.00 0.00 0.00 179.25 178.83 2dnq n GLU 49 N -5.41 -0.04 -0.29 0.00 1.02 -1.19 0.79 120.64 115.53 2dnq n GLU 49 Ca -0.01 0.76 -0.08 0.00 -0.02 0.00 0.00 57.16 57.81 2dnq n GLU 49 Cb 0.33 -1.14 -0.04 0.00 -0.02 0.00 0.00 31.44 30.56 2dnq n GLU 49 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2dnq h ASP 50 N 0.00 -1.70 0.01 1.62 1.82 -1.60 -0.23 116.42 116.35 2dnq h ASP 50 Ca 0.01 0.28 -0.00 0.00 -0.39 0.00 0.00 57.03 56.93 2dnq h ASP 50 Cb 0.04 0.78 -0.00 0.00 0.68 0.00 0.00 39.33 40.82 2dnq h ASP 50 CO -0.09 -0.31 -0.01 0.00 -1.61 0.00 0.00 179.24 177.23 2dnq h ALA 51 N 0.67 -0.92 -0.34 -0.78 0.00 -0.54 -2.86 119.26 114.50 2dnq h ALA 51 Ca 0.20 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2dnq h ALA 51 Cb 0.53 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2dnq h ALA 51 CO -0.81 -0.92 -0.20 -0.89 0.00 0.00 0.00 179.25 176.44 2dnq n ILE 52 N -2.15 -0.23 -0.15 0.00 5.41 0.24 0.22 119.36 122.69 2dnq n ILE 52 Ca -0.00 1.37 -0.04 0.00 1.00 0.00 0.00 62.75 65.08 2dnq n ILE 52 Cb 0.01 -1.75 -0.04 0.00 -0.71 0.00 0.00 39.64 37.16 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 -3.77 -0.16 0.00 0.38 0.63 -0.12 0.51 116.66 114.13 2dnq n ARG 53 Ca 0.01 1.11 0.00 0.00 -0.92 0.00 0.00 57.85 58.04 2dnq n ARG 53 Cb 0.09 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.36 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 -3.79 0.00 -0.38 6.15 3.02 -0.11 -2.48 115.26 117.68 2dnq n ASN 54 Ca 0.01 0.95 0.31 0.00 -0.03 0.00 0.00 54.58 55.82 2dnq n ASN 54 Cb 0.09 -0.45 0.51 0.00 -0.61 0.00 0.00 39.78 39.32 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 -1.90 0.12 -4.62 3.41 4.77 0.13 -4.35 117.00 114.57 2dnq n LEU 55 Ca 0.00 0.94 -0.53 0.00 -0.03 0.00 0.00 56.01 56.40 2dnq n LEU 55 Cb 0.00 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.56 2dnq n LEU 55 CO 0.00 -1.01 1.00 1.57 -1.33 0.00 0.00 177.39 177.62 2dnq n HIS 56 N -3.98 1.66 -2.71 -1.77 -0.00 0.18 0.18 115.22 108.79 2dnq n HIS 56 Ca 0.30 0.59 -0.18 0.00 0.46 0.00 0.00 57.72 58.89 2dnq n HIS 56 Cb 1.20 -2.37 0.00 0.00 -0.12 0.00 0.00 29.99 28.70 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 3.17 -1.49 -2.49 1.57 8.25 -0.61 -4.89 115.22 118.72 2dnq n HIS 57 Ca 0.20 0.19 -0.43 0.00 -0.26 0.00 0.00 57.72 57.42 2dnq n HIS 57 Cb 0.19 -3.45 -0.02 0.00 1.12 0.00 0.00 29.99 27.82 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 -2.89 2.74 -0.42 4.41 6.14 0.13 -4.78 117.35 122.67 2dnq s TYR 58 Ca 0.13 0.84 -0.30 0.00 0.64 0.00 0.00 57.07 58.38 2dnq s TYR 58 Cb -0.06 -4.11 -0.09 0.00 0.42 0.00 0.00 41.96 38.12 2dnq s TYR 58 CO 0.16 -1.48 2.33 1.17 0.64 0.00 0.00 175.55 178.37 2dnq n LYS 59 N 7.56 1.21 -3.88 4.97 4.81 -1.26 -4.04 118.16 127.52 2dnq n LYS 59 Ca 0.14 0.23 -0.30 0.00 -0.87 0.00 0.00 58.31 57.50 2dnq n LYS 59 Cb 0.48 -2.93 -0.15 0.00 0.02 0.00 0.00 35.03 32.45 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 9.50 3.64 -0.49 3.14 2.96 -0.81 -4.76 118.68 131.86 2dnq s LEU 60 Ca 1.06 -2.12 -0.03 0.00 -0.22 0.00 0.00 54.13 52.82 2dnq s LEU 60 Cb -0.51 -1.31 0.00 0.00 0.50 0.00 0.00 46.19 44.88 2dnq s LEU 60 CO 0.37 -0.37 0.43 1.41 -1.32 0.00 0.00 176.35 176.87 2dnq n HIS 61 N 4.27 -1.03 -2.50 5.38 8.25 -1.26 -3.30 115.22 125.01 2dnq n HIS 61 Ca 0.03 0.37 -0.14 0.00 -0.26 0.00 0.00 57.72 57.71 2dnq n HIS 61 Cb 0.40 -2.54 0.01 0.00 1.12 0.00 0.00 29.99 28.98 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 -0.16 3.16 -1.41 0.00 -1.26 -5.02 105.19 99.45 2dnq n GLY 62 Ca -0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.82 0.77 -0.73 1.61 0.11 -1.21 -5.11 120.40 113.02 2dnq s VAL 63 Ca 0.10 -1.75 -0.03 0.00 -2.93 0.00 0.00 61.98 57.36 2dnq s VAL 63 Cb -0.04 -1.46 0.18 0.00 -1.53 0.00 0.00 36.38 33.53 2dnq s VAL 63 CO 0.12 -0.72 0.57 0.20 -3.33 0.00 0.00 175.10 171.94 2dnq s ASN 64 N -2.70 5.56 0.48 3.54 -0.87 -1.26 -1.93 114.94 117.76 2dnq s ASN 64 Ca 0.08 -3.16 -0.23 0.00 -1.57 0.00 0.00 52.86 47.98 2dnq s ASN 64 Cb 0.01 -1.89 -0.07 0.00 -0.02 0.00 0.00 41.25 39.28 2dnq s ASN 64 CO -0.02 -0.31 1.21 0.27 -2.57 0.00 0.00 177.10 175.67 2dnq s ILE 65 N -0.52 2.88 -0.16 0.60 -4.36 -1.26 -4.86 121.20 113.53 2dnq s ILE 65 Ca 0.21 0.66 -0.04 0.00 -0.26 0.00 0.00 60.65 61.22 2dnq s ILE 65 Cb -0.15 -3.34 -0.03 0.00 1.25 0.00 0.00 42.46 40.19 2dnq s ILE 65 CO -0.07 -0.01 -0.01 0.20 0.24 0.00 0.00 174.94 175.29 2dnq s ASN 66 N -1.27 4.99 -0.17 4.36 0.01 -0.53 -1.58 114.94 120.76 2dnq s ASN 66 Ca 0.65 -0.07 -0.01 0.00 -0.71 0.00 0.00 52.86 52.72 2dnq s ASN 66 Cb -0.31 -1.80 -0.00 0.00 0.41 0.00 0.00 41.25 39.54 2dnq s ASN 66 CO 0.37 0.18 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.33 2dnq s VAL 67 N 0.30 2.87 -0.02 1.60 1.01 -1.26 -1.80 120.40 123.10 2dnq s VAL 67 Ca -0.02 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 2dnq s VAL 67 Cb -0.14 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.03 2dnq s VAL 67 CO 0.02 0.50 0.03 -1.61 0.00 0.00 0.00 175.10 174.04 2dnq s GLU 68 N 0.93 -0.02 0.37 2.72 0.41 -0.52 -4.90 118.70 117.70 2dnq s GLU 68 Ca -0.02 0.16 -0.27 0.00 -0.41 0.00 0.00 54.97 54.42 2dnq s GLU 68 Cb -0.15 -0.18 -0.09 0.00 -1.78 0.00 0.00 34.13 31.93 2dnq s GLU 68 CO -0.01 -0.13 1.26 0.00 -0.49 0.00 0.00 175.26 175.89 2dnq s ALA 69 N 0.81 3.32 0.36 5.21 0.00 -1.26 -1.48 121.76 128.71 2dnq s ALA 69 Ca -0.07 1.15 -0.27 0.00 0.00 0.00 0.00 51.96 52.77 2dnq s ALA 69 Cb -0.10 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 2dnq s ALA 69 CO -0.02 -0.65 1.27 -1.54 0.00 0.00 0.00 175.76 174.82 2dnq s SER 70 N -0.76 6.63 -0.25 0.00 1.04 -1.21 -4.82 113.70 114.32 2dnq s SER 70 Ca 0.54 2.59 -0.00 0.00 0.48 0.00 0.00 55.95 59.56 2dnq s SER 70 Cb -0.36 -2.64 0.07 0.00 0.10 0.00 0.00 66.02 63.19 2dnq s SER 70 CO 0.47 -0.62 0.02 -0.75 0.98 0.00 0.00 173.24 173.33 2dnq s LYS 71 N -1.98 1.11 -0.04 4.02 2.20 -1.26 -5.02 119.74 118.78 2dnq s LYS 71 Ca 0.52 -0.93 -0.00 0.00 -0.36 0.00 0.00 55.97 55.20 2dnq s LYS 71 Cb -0.37 -2.35 0.03 0.00 -1.51 0.00 0.00 37.83 33.62 2dnq s LYS 71 CO 0.49 -0.74 0.01 -0.80 -0.36 0.00 0.00 175.35 173.94 2dnq s ASN 72 N 1.54 0.65 -0.19 1.43 0.01 -1.26 -5.13 114.94 111.99 2dnq s ASN 72 Ca 0.01 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 2dnq s ASN 72 Cb -0.18 -0.24 0.04 0.00 0.41 0.00 0.00 41.25 41.28 2dnq s ASN 72 CO -0.12 -0.13 -0.09 -1.59 -1.51 0.00 0.00 177.10 173.66 2dnq s LYS 73 N 1.26 1.86 -0.31 -0.60 -2.85 -1.26 -5.00 119.74 112.85 2dnq s LYS 73 Ca -0.06 -0.75 0.11 0.00 -1.00 0.00 0.00 55.97 54.27 2dnq s LYS 73 Cb -0.13 -2.30 0.46 0.00 -2.06 0.00 0.00 37.83 33.80 2dnq s LYS 73 CO -0.02 -0.43 1.15 0.45 0.10 0.00 0.00 175.35 176.60 2dnq n SER 74 N 4.74 3.99 -4.54 0.03 2.88 -1.26 -5.09 113.62 114.38 2dnq n SER 74 Ca -0.14 -3.32 -0.31 0.00 -1.33 0.00 0.00 58.87 53.77 2dnq n SER 74 Cb 0.47 -0.40 0.17 0.00 -0.75 0.00 0.00 64.21 63.70 2dnq n SER 74 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dnq n LYS 75 N -0.62 -0.74 -3.26 -1.46 4.81 -1.26 -5.04 118.16 110.59 2dnq n LYS 75 Ca 0.33 -0.17 0.03 0.00 -0.87 0.00 0.00 58.31 57.64 2dnq n LYS 75 Cb 0.88 -2.14 -0.02 0.00 0.02 0.00 0.00 35.03 33.77 2dnq n LYS 75 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dnq s ALA 76 N -2.51 -2.34 -0.30 3.14 0.00 -1.26 -5.14 121.76 113.35 2dnq s ALA 76 Ca 0.63 1.92 -0.11 0.00 0.00 0.00 0.00 51.96 54.40 2dnq s ALA 76 Cb -0.22 -2.12 0.17 0.00 0.00 0.00 0.00 23.12 20.95 2dnq s ALA 76 CO 0.62 -1.25 0.87 -1.54 0.00 0.00 0.00 175.76 174.47 2dnq s SER 77 N 2.86 -0.80 -0.74 0.00 1.04 -1.26 -5.10 113.70 109.70 2dnq s SER 77 Ca 0.13 0.82 -0.26 0.00 0.48 0.00 0.00 55.95 57.12 2dnq s SER 77 Cb -0.14 1.80 -0.04 0.00 0.10 0.00 0.00 66.02 67.74 2dnq s SER 77 CO -0.20 -0.15 1.96 -0.94 0.98 0.00 0.00 173.24 174.90 2dnq s SER 78 N 2.72 5.08 0.00 7.02 1.04 -1.26 -4.65 113.70 123.65 2dnq s SER 78 Ca 0.02 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2dnq s SER 78 Cb -0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2dnq s SER 78 CO -0.17 -2.66 0.00 0.61 0.98 0.00 0.00 173.24 172.00 2dnq n GLY 79 N 6.29 1.74 3.88 7.32 0.00 -1.26 -5.08 105.19 118.08 2dnq n GLY 79 Ca 0.32 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 2dnq n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnq s PRO 80 N -4.52 0.92 0.13 1.61 0.04 -1.26 -5.08 135.00 126.84 2dnq s PRO 80 Ca 0.00 -0.17 0.02 0.00 0.04 0.00 0.00 61.00 60.90 2dnq s PRO 80 Cb 0.00 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 2dnq s PRO 80 CO 0.00 -2.26 0.23 0.45 0.04 0.00 0.00 177.00 175.46 2dnq s SER 81 N -4.64 6.15 -0.24 6.66 0.15 -1.26 -5.04 113.70 115.47 2dnq s SER 81 Ca 0.69 0.13 -0.18 0.00 0.70 0.00 0.00 55.95 57.30 2dnq s SER 81 Cb -0.07 -1.81 -0.15 0.00 -1.71 0.00 0.00 66.02 62.27 2dnq s SER 81 CO 0.52 0.09 -0.09 -0.24 1.20 0.00 0.00 173.24 174.73 2dnq n SER 82 N -0.25 1.91 0.00 5.45 2.88 -1.26 -5.16 113.62 117.20 2dnq n SER 82 Ca -0.07 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2dnq n SER 82 Cb 0.53 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2dnq n SER 82 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42