#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 -0.53 0.03 1.61 0.01 -1.26 -5.18 113.70 108.38 2dnq s SER -5 Ca 0.00 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2dnq s SER -5 Cb 0.00 0.44 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 2dnq s SER -5 CO 0.00 -0.49 -0.04 -0.55 0.41 0.00 0.00 173.24 172.57 2dnq s SER -4 N -1.15 0.41 -0.49 2.44 0.15 -1.26 -5.12 113.70 108.68 2dnq s SER -4 Ca -0.07 -0.59 0.03 0.00 0.70 0.00 0.00 55.95 56.02 2dnq s SER -4 Cb -0.00 0.10 0.13 0.00 -1.71 0.00 0.00 66.02 64.54 2dnq s SER -4 CO 0.06 -0.33 0.24 -0.83 1.20 0.00 0.00 173.24 173.58 2dnq s GLY -3 N -1.74 2.17 -0.04 9.45 0.00 -1.26 -5.08 107.32 110.82 2dnq s GLY -3 Ca -0.11 -3.02 0.07 0.00 0.00 0.00 0.00 44.72 41.66 2dnq s GLY -3 CO -0.02 1.18 -0.25 -0.45 0.00 0.00 0.00 173.10 173.56 2dnq s SER -2 N -0.02 2.99 1.15 1.64 0.15 -1.26 -5.13 113.70 113.22 2dnq s SER -2 Ca 0.17 -0.48 -0.18 0.00 0.70 0.00 0.00 55.95 56.16 2dnq s SER -2 Cb -0.25 -0.64 0.17 0.00 -1.71 0.00 0.00 66.02 63.59 2dnq s SER -2 CO -0.00 0.27 0.25 -0.24 1.20 0.00 0.00 173.24 174.71 2dnq n SER -1 N 2.77 -2.55 0.00 5.45 2.88 -1.26 -5.02 113.62 115.89 2dnq n SER -1 Ca -0.17 -0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 2dnq n SER -1 Cb 0.52 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 2dnq n SER -1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnq n GLY 0 N 1.96 3.56 3.75 0.46 0.00 -1.26 -5.13 105.19 108.53 2dnq n GLY 0 Ca 0.02 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.66 2.73 -0.21 1.61 0.00 -1.25 -4.52 119.30 114.99 2dnq s MET 1 Ca 0.00 1.59 0.01 0.00 0.00 0.00 0.00 55.69 57.29 2dnq s MET 1 Cb 0.00 -1.92 0.04 0.00 0.00 0.00 0.00 34.83 32.95 2dnq s MET 1 CO 0.00 -1.34 -0.11 0.08 0.00 0.00 0.00 175.02 173.64 2dnq s VAL 2 N -2.04 1.79 0.44 5.16 1.01 -1.10 -4.96 120.40 120.69 2dnq s VAL 2 Ca 0.71 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 2dnq s VAL 2 Cb -0.25 -1.85 -0.08 0.00 0.00 0.00 0.00 36.38 34.21 2dnq s VAL 2 CO 0.39 0.16 1.24 -0.75 0.00 0.00 0.00 175.10 176.14 2dnq s LYS 3 N 1.33 3.80 -0.15 2.72 2.20 -1.26 -1.69 119.74 126.68 2dnq s LYS 3 Ca -0.02 1.98 0.01 0.00 -0.36 0.00 0.00 55.97 57.58 2dnq s LYS 3 Cb -0.17 -2.56 0.02 0.00 -1.51 0.00 0.00 37.83 33.62 2dnq s LYS 3 CO -0.08 -0.58 -0.16 -0.51 -0.36 0.00 0.00 175.35 173.66 2dnq s LEU 4 N -2.79 1.80 -0.03 5.43 1.43 0.11 -2.98 118.68 121.65 2dnq s LEU 4 Ca 0.61 -0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 52.93 2dnq s LEU 4 Cb -0.34 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 2dnq s LEU 4 CO 0.42 -0.03 0.80 0.12 0.23 0.00 0.00 176.35 177.89 2dnq s PHE 5 N 1.34 3.63 -0.18 0.29 2.19 -0.74 -1.10 117.98 123.41 2dnq s PHE 5 Ca 0.03 1.42 -0.01 0.00 0.33 0.00 0.00 56.93 58.70 2dnq s PHE 5 Cb -0.13 -2.90 0.05 0.00 -1.31 0.00 0.00 43.02 38.72 2dnq s PHE 5 CO -0.10 0.09 -0.03 0.42 1.83 0.00 0.00 175.22 177.43 2dnq s ILE 6 N 0.73 1.02 0.50 3.12 1.01 0.18 -2.10 121.20 125.65 2dnq s ILE 6 Ca 0.42 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.47 2dnq s ILE 6 Cb -0.19 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.02 2dnq s ILE 6 CO 0.22 0.04 0.32 -0.83 0.00 0.00 0.00 174.94 174.69 2dnq s GLY 7 N 1.66 2.39 -1.32 6.18 0.00 -0.68 -0.51 107.32 115.03 2dnq s GLY 7 Ca -0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 44.72 43.23 2dnq s GLY 7 CO -0.07 -1.92 1.03 -2.01 0.00 0.00 0.00 173.10 170.12 2dnq n ASN 8 N -1.59 -3.98 -4.81 1.64 4.05 -1.24 -2.34 115.26 106.99 2dnq n ASN 8 Ca -0.02 -0.64 -0.39 0.00 0.45 0.00 0.00 54.58 53.98 2dnq n ASN 8 Cb 0.64 -4.76 -0.06 0.00 1.23 0.00 0.00 39.78 36.83 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 -6.91 4.50 1.00 1.20 1.43 -1.17 -4.38 118.68 114.35 2dnq s LEU 9 Ca 0.32 1.20 -0.16 0.00 -1.03 0.00 0.00 54.13 54.46 2dnq s LEU 9 Cb -0.15 -2.85 0.21 0.00 0.03 0.00 0.00 46.19 43.43 2dnq s LEU 9 CO 0.76 0.26 1.27 -2.16 0.23 0.00 0.00 176.35 176.70 2dnq s PRO 10 N -0.96 0.32 0.28 1.29 0.04 -1.26 -4.89 135.00 129.81 2dnq s PRO 10 Ca 0.28 -0.30 0.16 0.00 0.04 0.00 0.00 61.00 61.19 2dnq s PRO 10 Cb -0.19 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.64 2dnq s PRO 10 CO 0.18 -2.65 1.40 0.00 0.04 0.00 0.00 177.00 175.98 2dnq h ARG 11 N -1.81 0.00 -0.02 4.56 3.08 -2.01 -3.26 114.38 114.92 2dnq h ARG 11 Ca -0.45 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.41 2dnq h ARG 11 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 2dnq h ARG 11 CO 0.39 0.40 -0.84 0.93 -1.07 0.00 0.00 179.97 179.78 2dnq h GLU 12 N 0.00 0.28 -6.10 0.04 3.07 -2.00 -3.46 114.58 106.42 2dnq h GLU 12 Ca -0.02 -0.28 -0.65 0.00 -0.50 0.00 0.00 59.36 57.91 2dnq h GLU 12 Cb 1.34 0.07 0.12 0.00 -0.84 0.00 0.00 28.75 29.44 2dnq h GLU 12 CO 0.05 0.97 -0.45 0.00 -1.40 0.00 0.00 179.01 178.18 2dnq n ALA 13 N -2.49 -2.36 -2.77 3.43 0.00 -1.23 -4.98 120.51 110.11 2dnq n ALA 13 Ca -0.04 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.61 2dnq n ALA 13 Cb 0.78 -1.68 -0.15 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.10 0.53 0.21 0.00 -4.23 -1.26 -5.00 115.64 104.78 2dnq s THR 14 Ca 0.63 -0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 60.80 2dnq s THR 14 Cb -0.85 -0.45 0.33 0.00 1.34 0.00 0.00 72.50 72.88 2dnq s THR 14 CO 0.57 0.15 1.15 -0.62 -0.54 0.00 0.00 174.62 175.34 2dnq n GLU 15 N 2.97 -0.07 0.10 3.99 1.02 -1.26 -0.84 120.64 126.55 2dnq n GLU 15 Ca -0.14 1.15 -0.04 0.00 -0.02 0.00 0.00 57.16 58.11 2dnq n GLU 15 Cb 0.57 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 2dnq n GLU 15 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2dnq h GLN 16 N 0.00 -0.26 -0.73 3.49 4.20 -1.96 -0.70 115.11 119.15 2dnq h GLN 16 Ca 0.35 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.19 2dnq h GLN 16 Cb 0.54 0.06 -0.12 0.00 0.30 0.00 0.00 27.48 28.26 2dnq h GLN 16 CO -0.76 -0.18 -0.29 0.39 -0.67 0.00 0.00 178.83 177.33 2dnq n GLU 17 N -2.90 -0.17 -0.15 1.46 -0.58 -0.02 0.15 120.64 118.44 2dnq n GLU 17 Ca -0.03 1.12 -0.07 0.00 -0.42 0.00 0.00 57.16 57.76 2dnq n GLU 17 Cb 0.11 -1.66 0.02 0.00 -0.57 0.00 0.00 31.44 29.34 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 1.07 0.56 -3.67 1.08 -1.26 -2.46 117.51 112.84 2dnq h ILE 18 Ca 0.25 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 2dnq h ILE 18 Cb 0.43 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2dnq h ILE 18 CO -0.72 0.10 -0.45 -0.09 -0.69 0.00 0.00 178.15 176.30 2dnq h ARG 19 N 0.56 -0.94 -0.70 2.37 2.43 0.31 -2.96 114.38 115.46 2dnq h ARG 19 Ca 0.17 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.52 2dnq h ARG 19 Cb -0.02 0.21 -0.12 0.00 -0.42 0.00 0.00 29.97 29.62 2dnq h ARG 19 CO -0.06 -0.62 -0.36 1.03 -1.51 0.00 0.00 179.97 178.44 2dnq h SER 20 N -0.97 -1.28 -0.97 -3.80 0.87 -0.91 0.29 113.55 106.77 2dnq h SER 20 Ca -0.07 0.25 0.35 0.00 -1.23 0.00 0.00 61.79 61.09 2dnq h SER 20 Cb 0.81 0.64 -0.18 0.00 -0.44 0.00 0.00 62.40 63.24 2dnq h SER 20 CO 0.00 -0.30 0.32 0.18 -0.53 0.00 0.00 176.83 176.50 2dnq n LEU 21 N -5.44 0.15 0.08 2.23 4.77 -0.93 0.18 117.00 118.04 2dnq n LEU 21 Ca 0.05 1.62 -0.12 0.00 -0.03 0.00 0.00 56.01 57.54 2dnq n LEU 21 Cb 0.36 -0.71 -0.13 0.00 -2.33 0.00 0.00 43.42 40.61 2dnq n LEU 21 CO -0.03 -1.75 -0.00 -0.26 -1.33 0.00 0.00 177.39 174.02 2dnq h PHE 22 N 0.00 0.25 0.00 -1.77 0.04 -0.44 -3.23 116.94 111.78 2dnq h PHE 22 Ca 0.73 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 61.32 2dnq h PHE 22 Cb 1.78 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.92 2dnq h PHE 22 CO -0.21 1.15 0.17 0.39 -0.60 0.00 0.00 178.31 179.21 2dnq n GLU 23 N -3.42 0.11 0.05 1.51 1.02 0.47 0.07 120.64 120.45 2dnq n GLU 23 Ca -0.05 0.60 -0.09 0.00 -0.02 0.00 0.00 57.16 57.60 2dnq n GLU 23 Cb 0.99 -2.04 -0.13 0.00 -0.02 0.00 0.00 31.44 30.24 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 0.05 -0.21 3.49 4.20 -1.46 -3.32 115.11 117.86 2dnq h GLN 24 Ca 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2dnq h GLN 24 Cb 0.34 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2dnq h GLN 24 CO 0.00 0.96 0.00 0.66 -0.67 0.00 0.00 178.83 179.78 2dnq n TYR 25 N -3.34 0.27 0.00 2.96 4.02 0.98 -5.04 117.16 117.01 2dnq n TYR 25 Ca -0.04 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.50 2dnq n TYR 25 Cb 0.97 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.27 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 0.42 3.87 3.77 2.72 0.00 0.11 -4.65 105.19 111.42 2dnq n GLY 26 Ca 0.09 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.27 3.90 -0.16 1.61 2.20 -1.26 -2.53 119.74 121.22 2dnq s LYS 27 Ca 0.00 2.06 -0.07 0.00 -0.36 0.00 0.00 55.97 57.60 2dnq s LYS 27 Cb 0.00 -2.67 -0.04 0.00 -1.51 0.00 0.00 37.83 33.61 2dnq s LYS 27 CO 0.00 -0.52 0.07 0.08 -0.36 0.00 0.00 175.35 174.63 2dnq s VAL 28 N -1.32 4.91 -0.16 4.02 1.01 -1.26 -1.62 120.40 125.98 2dnq s VAL 28 Ca 0.59 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.36 2dnq s VAL 28 Cb -0.36 -3.18 -0.23 0.00 0.00 0.00 0.00 36.38 32.61 2dnq s VAL 28 CO 0.45 0.51 0.43 -0.07 0.00 0.00 0.00 175.10 176.42 2dnq h LEU 29 N 6.19 0.13 -8.25 3.92 3.38 -0.96 -3.49 115.31 116.23 2dnq h LEU 29 Ca -0.42 -0.73 -0.15 0.00 0.09 0.00 0.00 57.88 56.67 2dnq h LEU 29 Cb 1.18 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.73 2dnq h LEU 29 CO 0.67 1.45 -0.69 -1.61 0.09 0.00 0.00 178.44 178.35 2dnq s GLU 30 N -2.38 0.62 -0.27 1.13 2.02 -1.25 -5.01 118.70 113.56 2dnq s GLU 30 Ca -0.24 -1.15 -0.03 0.00 0.02 0.00 0.00 54.97 53.57 2dnq s GLU 30 Cb 0.04 0.09 0.16 0.00 0.10 0.00 0.00 34.13 34.52 2dnq s GLU 30 CO 0.67 -0.08 0.52 0.00 0.02 0.00 0.00 175.26 176.39 2dnq s ASP 32 N 2.75 3.45 -0.24 0.00 1.01 -0.90 -4.93 116.67 117.81 2dnq s ASP 32 Ca 0.13 -1.14 -0.03 0.00 0.71 0.00 0.00 52.55 52.22 2dnq s ASP 32 Cb -0.14 -0.29 0.10 0.00 1.01 0.00 0.00 42.92 43.59 2dnq s ASP 32 CO -0.18 -0.15 0.20 -0.63 0.21 0.00 0.00 175.17 174.61 2dnq s ILE 33 N -2.67 -0.24 0.04 0.77 1.01 -1.26 -1.54 121.20 117.30 2dnq s ILE 33 Ca 0.31 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 2dnq s ILE 33 Cb 0.00 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 2dnq s ILE 33 CO 0.15 -0.41 0.13 -0.63 0.00 0.00 0.00 174.94 174.18 2dnq s ILE 34 N 2.25 0.12 -1.37 2.92 1.01 0.26 -4.91 121.20 121.48 2dnq s ILE 34 Ca 0.07 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 2dnq s ILE 34 Cb -0.15 -0.87 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 2dnq s ILE 34 CO -0.23 -0.55 0.49 0.29 0.00 0.00 0.00 174.94 174.95 2dnq n LYS 35 N 0.78 -3.65 -1.90 2.79 5.02 -1.26 0.24 118.16 120.19 2dnq n LYS 35 Ca -0.19 0.46 -0.12 0.00 -2.02 0.00 0.00 58.31 56.44 2dnq n LYS 35 Cb 0.58 -4.68 -0.03 0.00 -0.02 0.00 0.00 35.03 30.89 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 -3.00 -3.45 -4.05 4.39 4.13 -1.26 -4.91 115.26 107.11 2dnq n ASN 36 Ca -0.31 0.25 -0.12 0.00 1.68 0.00 0.00 54.58 56.09 2dnq n ASN 36 Cb 0.68 -3.10 -0.11 0.00 -1.54 0.00 0.00 39.78 35.71 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 -2.30 0.58 0.02 3.10 -0.85 0.14 -3.07 117.35 114.98 2dnq s TYR 37 Ca 0.00 -0.55 0.04 0.00 -0.52 0.00 0.00 57.07 56.04 2dnq s TYR 37 Cb 0.00 -0.36 -0.02 0.00 0.38 0.00 0.00 41.96 41.96 2dnq s TYR 37 CO 0.00 -0.12 -0.12 0.20 -1.52 0.00 0.00 175.55 173.99 2dnq s GLY 38 N -1.68 0.65 -0.18 5.49 0.00 0.33 0.91 107.32 112.84 2dnq s GLY 38 Ca -0.10 -0.68 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 2dnq s GLY 38 CO -0.01 -0.65 -0.12 -1.36 0.00 0.00 0.00 173.10 170.97 2dnq s PHE 39 N -0.70 2.86 -0.25 1.90 0.08 -0.59 -0.65 117.98 120.63 2dnq s PHE 39 Ca 0.01 -1.06 0.01 0.00 0.12 0.00 0.00 56.93 56.01 2dnq s PHE 39 Cb -0.07 -1.97 0.04 0.00 -0.57 0.00 0.00 43.02 40.45 2dnq s PHE 39 CO 0.01 -0.53 -0.10 0.08 -0.10 0.00 0.00 175.22 174.57 2dnq s VAL 40 N 1.09 2.40 -0.52 -0.44 1.01 -0.26 -2.13 120.40 121.55 2dnq s VAL 40 Ca 0.00 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 2dnq s VAL 40 Cb -0.14 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.01 2dnq s VAL 40 CO -0.03 0.13 0.72 -1.00 0.00 0.00 0.00 175.10 174.93 2dnq s HIS 41 N 1.21 2.97 0.82 5.22 0.09 -0.88 0.06 115.29 124.77 2dnq s HIS 41 Ca -0.04 -0.40 -0.12 0.00 -0.00 0.00 0.00 55.06 54.51 2dnq s HIS 41 Cb -0.18 -3.71 0.08 0.00 -0.00 0.00 0.00 32.58 28.77 2dnq s HIS 41 CO -0.06 -1.14 1.13 -1.50 -0.00 0.00 0.00 174.74 173.17 2dnq s ILE 42 N 3.03 2.51 0.00 0.60 2.07 -0.68 -0.33 121.20 128.40 2dnq s ILE 42 Ca 0.19 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.60 2dnq s ILE 42 Cb -0.17 -3.04 0.00 0.00 0.13 0.00 0.00 42.46 39.37 2dnq s ILE 42 CO 0.14 -0.22 0.38 1.21 -1.91 0.00 0.00 174.94 174.54 2dnq n GLU 43 N -3.41 0.00 -4.03 3.50 2.13 -0.64 -2.73 120.64 115.46 2dnq n GLU 43 Ca 0.07 0.25 -0.26 0.00 0.66 0.00 0.00 57.16 57.89 2dnq n GLU 43 Cb 0.59 -1.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.25 2dnq n GLU 43 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2dnq s ASP 44 N -2.00 5.82 0.07 4.31 1.01 -1.26 -3.92 116.67 120.70 2dnq s ASP 44 Ca 0.00 -0.03 -0.34 0.00 0.71 0.00 0.00 52.55 52.89 2dnq s ASP 44 Cb 0.00 -1.61 -0.18 0.00 1.01 0.00 0.00 42.92 42.14 2dnq s ASP 44 CO 0.00 0.05 1.61 0.50 0.21 0.00 0.00 175.17 177.55 2dnq h LYS 45 N 2.21 -0.92 -1.08 8.23 3.64 -1.91 -2.59 116.57 124.16 2dnq h LYS 45 Ca -0.48 0.06 0.37 0.00 -1.27 0.00 0.00 60.65 59.33 2dnq h LYS 45 Cb 1.20 0.21 -0.15 0.00 -0.41 0.00 0.00 32.23 33.08 2dnq h LYS 45 CO 0.65 -0.62 0.63 1.15 -2.27 0.00 0.00 179.45 178.99 2dnq h THR 46 N -0.96 0.20 -0.82 1.00 2.02 -1.99 0.75 112.91 113.12 2dnq h THR 46 Ca -0.09 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.05 2dnq h THR 46 Cb 0.75 -0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 2dnq h THR 46 CO 0.13 0.04 0.53 0.00 0.37 0.00 0.00 175.52 176.59 2dnq h ALA 47 N 1.82 1.07 0.40 6.16 0.00 -1.73 -3.00 119.26 123.98 2dnq h ALA 47 Ca 0.77 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.63 2dnq h ALA 47 Cb 2.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2dnq h ALA 47 CO -0.58 0.38 -0.30 0.00 0.00 0.00 0.00 179.25 178.74 2dnq h ALA 48 N 1.33 -1.07 -0.93 0.00 0.00 0.60 -2.29 119.26 116.91 2dnq h ALA 48 Ca 0.32 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.34 2dnq h ALA 48 Cb -0.03 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 18.06 2dnq h ALA 48 CO -0.10 -1.06 -0.01 0.39 0.00 0.00 0.00 179.25 178.47 2dnq n GLU 49 N -4.22 -0.08 0.24 0.00 1.02 -1.15 0.11 120.64 116.55 2dnq n GLU 49 Ca -0.08 1.40 -0.16 0.00 -0.02 0.00 0.00 57.16 58.30 2dnq n GLU 49 Cb 0.29 -2.21 -0.08 0.00 -0.02 0.00 0.00 31.44 29.43 2dnq n GLU 49 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2dnq h ASP 50 N 0.00 -0.86 0.38 1.62 3.32 -1.35 -2.05 116.42 117.48 2dnq h ASP 50 Ca 0.55 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.65 2dnq h ASP 50 Cb 1.11 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.95 2dnq h ASP 50 CO -0.88 -0.48 -0.18 0.00 -1.72 0.00 0.00 179.24 175.98 2dnq h ALA 51 N -0.23 -0.67 -0.56 3.45 0.00 0.17 -3.29 119.26 118.14 2dnq h ALA 51 Ca -0.03 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2dnq h ALA 51 Cb 0.63 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2dnq h ALA 51 CO -0.03 -0.63 -0.33 -0.89 0.00 0.00 0.00 179.25 177.37 2dnq n ILE 52 N -4.28 -0.38 -0.27 0.00 5.41 0.30 -0.44 119.36 119.71 2dnq n ILE 52 Ca -0.06 1.55 -0.07 0.00 1.00 0.00 0.00 62.75 65.17 2dnq n ILE 52 Cb 0.20 -1.94 -0.06 0.00 -0.71 0.00 0.00 39.64 37.13 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 -4.44 -0.28 0.00 0.38 0.63 -0.77 0.38 116.66 112.55 2dnq n ARG 53 Ca 0.01 1.23 0.00 0.00 -0.92 0.00 0.00 57.85 58.17 2dnq n ARG 53 Cb 0.15 -1.82 0.00 0.00 0.45 0.00 0.00 32.46 31.24 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 -4.48 0.00 -0.32 6.15 3.02 0.42 -2.85 115.26 117.20 2dnq n ASN 54 Ca 0.01 0.87 0.27 0.00 -0.03 0.00 0.00 54.58 55.70 2dnq n ASN 54 Cb 0.17 -0.43 0.45 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.80 0.14 -4.67 3.41 4.77 0.31 -4.32 117.00 114.84 2dnq n LEU 55 Ca 0.00 0.93 -0.56 0.00 -0.03 0.00 0.00 56.01 56.35 2dnq n LEU 55 Cb 0.00 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.56 2dnq n LEU 55 CO 0.00 -1.01 1.41 1.57 -1.33 0.00 0.00 177.39 178.03 2dnq n HIS 56 N -4.02 2.01 -3.05 -1.77 -0.00 0.16 0.31 115.22 108.86 2dnq n HIS 56 Ca 0.27 0.46 -0.21 0.00 0.46 0.00 0.00 57.72 58.70 2dnq n HIS 56 Cb 1.05 -2.48 0.04 0.00 -0.12 0.00 0.00 29.99 28.47 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 6.10 -1.98 -2.63 1.57 8.25 -0.03 -4.95 115.22 121.55 2dnq n HIS 57 Ca 0.29 0.56 -0.42 0.00 -0.26 0.00 0.00 57.72 57.88 2dnq n HIS 57 Cb 0.15 -4.40 -0.03 0.00 1.12 0.00 0.00 29.99 26.83 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 -3.17 3.60 -0.47 4.41 5.04 0.15 -4.73 117.35 122.18 2dnq s TYR 58 Ca 0.32 1.60 -0.28 0.00 -2.44 0.00 0.00 57.07 56.27 2dnq s TYR 58 Cb -0.14 -3.20 -0.02 0.00 0.35 0.00 0.00 41.96 38.95 2dnq s TYR 58 CO 0.40 -0.34 1.79 0.21 -1.34 0.00 0.00 175.55 176.26 2dnq s LYS 59 N 1.02 3.02 -0.09 4.97 2.20 -1.26 -3.68 119.74 125.92 2dnq s LYS 59 Ca 0.54 0.99 0.03 0.00 -0.36 0.00 0.00 55.97 57.16 2dnq s LYS 59 Cb -0.23 -4.27 0.01 0.00 -1.51 0.00 0.00 37.83 31.83 2dnq s LYS 59 CO 0.28 -2.24 -0.19 -1.17 -0.36 0.00 0.00 175.35 171.67 2dnq s LEU 60 N 7.78 1.90 -1.09 5.43 2.96 -0.54 -4.72 118.68 130.40 2dnq s LEU 60 Ca 0.72 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.11 2dnq s LEU 60 Cb -0.17 -1.19 0.04 0.00 0.50 0.00 0.00 46.19 45.37 2dnq s LEU 60 CO 0.27 0.09 0.27 1.41 -1.32 0.00 0.00 176.35 177.08 2dnq n HIS 61 N 3.77 -1.67 -2.56 5.38 8.25 -1.26 0.16 115.22 127.29 2dnq n HIS 61 Ca -0.20 0.26 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 2dnq n HIS 61 Cb 0.52 -2.70 0.01 0.00 1.12 0.00 0.00 29.99 28.95 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 -0.98 0.07 3.18 -1.41 0.00 -1.26 -5.03 105.19 99.76 2dnq n GLY 62 Ca -0.06 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.79 0.08 -0.16 1.61 0.11 0.12 -5.15 120.40 114.22 2dnq s VAL 63 Ca 0.12 -1.96 -0.03 0.00 -2.93 0.00 0.00 61.98 57.19 2dnq s VAL 63 Cb -0.05 -2.29 -0.02 0.00 -1.53 0.00 0.00 36.38 32.49 2dnq s VAL 63 CO 0.15 -0.22 -0.06 0.20 -3.33 0.00 0.00 175.10 171.84 2dnq s ASN 64 N -3.11 4.48 0.13 3.54 -0.87 -1.26 -1.47 114.94 116.37 2dnq s ASN 64 Ca 0.32 -0.24 0.07 0.00 -1.57 0.00 0.00 52.86 51.44 2dnq s ASN 64 Cb 0.07 -1.73 -0.04 0.00 -0.02 0.00 0.00 41.25 39.53 2dnq s ASN 64 CO 0.07 0.13 -0.05 0.27 -2.57 0.00 0.00 177.10 174.95 2dnq s ILE 65 N 0.60 3.60 -0.19 0.60 -4.36 -1.24 -4.76 121.20 115.44 2dnq s ILE 65 Ca -0.04 -1.28 -0.03 0.00 -0.26 0.00 0.00 60.65 59.05 2dnq s ILE 65 Cb -0.15 -2.73 -0.01 0.00 1.25 0.00 0.00 42.46 40.82 2dnq s ILE 65 CO 0.03 0.04 -0.07 0.20 0.24 0.00 0.00 174.94 175.37 2dnq s ASN 66 N -2.48 4.23 -0.14 4.36 -0.87 -0.99 -0.85 114.94 118.20 2dnq s ASN 66 Ca 0.24 -0.36 -0.00 0.00 -1.57 0.00 0.00 52.86 51.17 2dnq s ASN 66 Cb -0.11 -1.70 -0.01 0.00 -0.02 0.00 0.00 41.25 39.41 2dnq s ASN 66 CO 0.16 0.04 -0.13 -0.69 -2.57 0.00 0.00 177.10 173.91 2dnq s VAL 67 N 1.10 2.96 -0.10 1.60 1.01 -1.26 -1.69 120.40 124.03 2dnq s VAL 67 Ca 0.01 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 2dnq s VAL 67 Cb -0.15 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.02 2dnq s VAL 67 CO -0.01 0.52 0.24 -1.83 0.00 0.00 0.00 175.10 174.01 2dnq s GLU 68 N 0.54 0.23 -0.02 2.72 -1.05 -0.89 -4.83 118.70 115.39 2dnq s GLU 68 Ca -0.09 0.45 -0.30 0.00 -0.15 0.00 0.00 54.97 54.88 2dnq s GLU 68 Cb -0.16 -0.03 -0.06 0.00 -0.44 0.00 0.00 34.13 33.45 2dnq s GLU 68 CO 0.04 -0.11 1.53 0.00 0.95 0.00 0.00 175.26 177.67 2dnq s ALA 69 N 0.82 3.62 0.88 -0.84 0.00 -1.26 -1.80 121.76 123.19 2dnq s ALA 69 Ca -0.06 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 52.69 2dnq s ALA 69 Cb -0.07 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2dnq s ALA 69 CO -0.05 -1.16 0.38 0.45 0.00 0.00 0.00 175.76 175.38 2dnq n SER 70 N 6.20 -2.03 -4.14 0.00 2.88 -1.16 -4.92 113.62 110.45 2dnq n SER 70 Ca 0.15 0.40 -0.36 0.00 -1.33 0.00 0.00 58.87 57.73 2dnq n SER 70 Cb 0.43 -1.19 -0.12 0.00 -0.75 0.00 0.00 64.21 62.58 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 -3.28 2.12 -0.22 -1.46 -2.85 -1.26 -4.99 119.74 107.80 2dnq s LYS 71 Ca 0.59 -1.68 -0.09 0.00 -1.00 0.00 0.00 55.97 53.78 2dnq s LYS 71 Cb -0.25 -3.51 -0.04 0.00 -2.06 0.00 0.00 37.83 31.96 2dnq s LYS 71 CO 0.65 -0.97 0.11 1.21 0.10 0.00 0.00 175.35 176.46 2dnq s ASN 72 N 1.71 5.78 0.00 0.03 2.47 -1.26 -4.94 114.94 118.73 2dnq s ASN 72 Ca 0.05 0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.37 2dnq s ASN 72 Cb -0.22 -2.03 0.00 0.00 -1.45 0.00 0.00 41.25 37.55 2dnq s ASN 72 CO -0.03 0.08 0.84 2.29 -3.72 0.00 0.00 177.10 176.56 2dnq n LYS 73 N 4.17 1.82 -2.95 0.43 0.00 -1.26 -4.90 118.16 115.47 2dnq n LYS 73 Ca -0.16 -1.19 -0.44 0.00 -0.00 0.00 0.00 58.31 56.52 2dnq n LYS 73 Cb 0.52 -0.99 -0.00 0.00 -0.00 0.00 0.00 35.03 34.56 2dnq n LYS 73 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2dnq s SER 74 N -0.70 7.03 -0.25 -5.58 0.01 -1.26 -4.96 113.70 107.99 2dnq s SER 74 Ca 0.00 -2.90 -0.01 0.00 1.31 0.00 0.00 55.95 54.34 2dnq s SER 74 Cb 0.00 -2.40 0.03 0.00 0.21 0.00 0.00 66.02 63.86 2dnq s SER 74 CO 0.00 -0.77 -0.06 -0.75 0.41 0.00 0.00 173.24 172.06 2dnq s LYS 75 N 1.66 2.77 0.20 12.44 2.20 -1.26 -5.11 119.74 132.64 2dnq s LYS 75 Ca 0.41 -1.02 -0.13 0.00 -0.36 0.00 0.00 55.97 54.87 2dnq s LYS 75 Cb -0.03 -2.98 -0.07 0.00 -1.51 0.00 0.00 37.83 33.24 2dnq s LYS 75 CO -0.01 -0.42 0.58 0.00 -0.36 0.00 0.00 175.35 175.14 2dnq s ALA 76 N 1.30 3.53 0.02 3.13 0.00 -1.26 -4.99 121.76 123.51 2dnq s ALA 76 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2dnq s ALA 76 Cb -0.17 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2dnq s ALA 76 CO -0.05 0.45 0.00 -1.13 0.00 0.00 0.00 175.76 175.04 2dnq n SER 77 N 0.33 0.06 -4.21 0.00 3.41 -1.26 -5.02 113.62 106.93 2dnq n SER 77 Ca -0.02 0.04 -0.33 0.00 -0.26 0.00 0.00 58.87 58.30 2dnq n SER 77 Cb 0.52 0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 2dnq n SER 77 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dnq n SER 78 N -2.84 -0.25 -3.60 4.04 2.88 -1.26 -4.87 113.62 107.72 2dnq n SER 78 Ca 0.00 -1.15 -0.10 0.00 -1.33 0.00 0.00 58.87 56.29 2dnq n SER 78 Cb 0.22 -1.45 -0.06 0.00 -0.75 0.00 0.00 64.21 62.17 2dnq n SER 78 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dnq s GLY 79 N -3.73 -0.22 0.46 0.46 0.00 -1.26 -5.17 107.32 97.86 2dnq s GLY 79 Ca 0.34 2.30 -0.20 0.00 0.00 0.00 0.00 44.72 47.16 2dnq s GLY 79 CO 0.92 1.38 0.98 2.56 0.00 0.00 0.00 173.10 178.94 2dnq s PRO 80 N -0.52 4.06 -0.47 2.90 0.04 -1.26 -5.04 135.00 134.71 2dnq s PRO 80 Ca 0.00 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2dnq s PRO 80 Cb -0.02 -2.15 0.13 0.00 0.04 0.00 0.00 34.50 32.49 2dnq s PRO 80 CO -0.02 -0.18 0.24 0.45 0.04 0.00 0.00 177.00 177.53 2dnq s SER 81 N -2.26 4.93 0.19 6.66 0.15 -1.26 -4.98 113.70 117.12 2dnq s SER 81 Ca 0.63 -2.49 -0.12 0.00 0.70 0.00 0.00 55.95 54.67 2dnq s SER 81 Cb -0.11 -1.75 0.22 0.00 -1.71 0.00 0.00 66.02 62.68 2dnq s SER 81 CO 0.18 -0.39 1.21 -0.24 1.20 0.00 0.00 173.24 175.19 2dnq n SER 82 N 3.90 -0.46 0.00 5.45 2.88 -1.26 -5.34 113.62 118.79 2dnq n SER 82 Ca 0.03 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 2dnq n SER 82 Cb 0.39 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2dnq n SER 82 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42