#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 -4.58 -4.56 1.61 2.88 -1.26 -4.96 113.62 102.74 2dnq n SER -5 Ca 0.00 -0.76 -0.34 0.00 -1.33 0.00 0.00 58.87 56.44 2dnq n SER -5 Cb 0.00 -4.04 -0.11 0.00 -0.75 0.00 0.00 64.21 59.31 2dnq n SER -5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dnq s SER -4 N -3.43 5.10 -1.04 -3.46 0.01 -1.26 -5.05 113.70 104.56 2dnq s SER -4 Ca 0.58 -0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.75 2dnq s SER -4 Cb -0.29 -1.79 0.27 0.00 0.21 0.00 0.00 66.02 64.42 2dnq s SER -4 CO 0.82 0.20 1.07 0.61 0.41 0.00 0.00 173.24 176.35 2dnq n GLY -3 N 3.32 4.35 3.59 3.44 0.00 -1.26 -4.97 105.19 113.66 2dnq n GLY -3 Ca -0.17 -2.61 -0.07 0.00 0.00 0.00 0.00 46.02 43.17 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 0.37 -0.24 -0.06 1.61 0.15 -1.26 -5.17 113.70 109.11 2dnq s SER -2 Ca 0.30 0.20 -0.02 0.00 0.70 0.00 0.00 55.95 57.14 2dnq s SER -2 Cb -0.06 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.42 2dnq s SER -2 CO -0.06 -0.26 0.04 -0.55 1.20 0.00 0.00 173.24 173.61 2dnq s SER -1 N -1.36 5.47 0.00 5.45 0.15 -1.26 -5.02 113.70 117.13 2dnq s SER -1 Ca 0.04 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.85 2dnq s SER -1 Cb -0.01 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2dnq s SER -1 CO -0.03 0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.36 2dnq n GLY 0 N 1.78 0.10 3.55 9.45 0.00 -1.26 -5.11 105.19 113.70 2dnq n GLY 0 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.83 -0.15 1.61 0.00 -1.24 -4.27 119.30 114.42 2dnq s MET 1 Ca 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 55.69 56.03 2dnq s MET 1 Cb 0.00 -1.60 0.07 0.00 0.00 0.00 0.00 34.83 33.30 2dnq s MET 1 CO 0.00 -3.55 0.32 0.08 0.00 0.00 0.00 175.02 171.87 2dnq s VAL 2 N -2.75 -0.40 0.62 5.16 1.01 -1.10 -4.89 120.40 118.05 2dnq s VAL 2 Ca 0.68 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.74 2dnq s VAL 2 Cb -0.18 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2dnq s VAL 2 CO 0.59 0.09 1.05 -0.75 0.00 0.00 0.00 175.10 176.08 2dnq s LYS 3 N 2.24 3.29 -0.04 2.72 2.20 -1.26 -1.30 119.74 127.60 2dnq s LYS 3 Ca -0.02 1.07 -0.02 0.00 -0.36 0.00 0.00 55.97 56.65 2dnq s LYS 3 Cb -0.11 -2.03 0.03 0.00 -1.51 0.00 0.00 37.83 34.20 2dnq s LYS 3 CO -0.10 -0.82 0.05 -0.51 -0.36 0.00 0.00 175.35 173.61 2dnq s LEU 4 N -4.81 0.33 -0.01 5.43 1.43 0.28 -3.71 118.68 117.62 2dnq s LEU 4 Ca 0.61 0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 53.50 2dnq s LEU 4 Cb -0.14 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 2dnq s LEU 4 CO 0.43 -0.23 0.85 0.12 0.23 0.00 0.00 176.35 177.75 2dnq s PHE 5 N 1.97 3.65 -0.30 0.29 5.36 0.15 -1.02 117.98 128.08 2dnq s PHE 5 Ca 0.03 1.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 2dnq s PHE 5 Cb -0.12 -2.96 0.09 0.00 -0.34 0.00 0.00 43.02 39.69 2dnq s PHE 5 CO -0.03 0.08 0.06 0.42 -1.46 0.00 0.00 175.22 174.29 2dnq s ILE 6 N 0.73 1.23 0.32 3.12 1.01 0.03 -1.62 121.20 126.03 2dnq s ILE 6 Ca 0.44 -1.52 0.07 0.00 0.00 0.00 0.00 60.65 59.64 2dnq s ILE 6 Cb -0.20 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 2dnq s ILE 6 CO 0.24 -0.56 0.40 -0.83 0.00 0.00 0.00 174.94 174.20 2dnq s GLY 7 N 1.45 1.61 -0.67 6.18 0.00 -0.65 -0.66 107.32 114.57 2dnq s GLY 7 Ca 0.07 -1.49 -0.02 0.00 0.00 0.00 0.00 44.72 43.28 2dnq s GLY 7 CO -0.18 -1.42 0.58 -2.01 0.00 0.00 0.00 173.10 170.06 2dnq n ASN 8 N -1.53 -3.42 -4.85 1.64 5.15 -1.18 -1.14 115.26 109.92 2dnq n ASN 8 Ca -0.02 -0.40 -0.37 0.00 -0.60 0.00 0.00 54.58 53.20 2dnq n ASN 8 Cb 0.58 -3.30 -0.06 0.00 -0.53 0.00 0.00 39.78 36.47 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 -4.52 4.43 0.86 1.20 1.43 -1.25 -4.02 118.68 116.80 2dnq s LEU 9 Ca 0.14 0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 2dnq s LEU 9 Cb -0.02 -2.62 0.11 0.00 0.03 0.00 0.00 46.19 43.69 2dnq s LEU 9 CO 0.44 0.29 1.17 -2.16 0.23 0.00 0.00 176.35 176.32 2dnq s PRO 10 N -1.32 1.57 0.24 1.29 0.04 -1.26 -4.96 135.00 130.60 2dnq s PRO 10 Ca 0.25 0.16 0.09 0.00 0.04 0.00 0.00 61.00 61.54 2dnq s PRO 10 Cb -0.15 -1.90 0.23 0.00 0.04 0.00 0.00 34.50 32.72 2dnq s PRO 10 CO 0.13 -1.87 1.54 -0.09 0.04 0.00 0.00 177.00 176.75 2dnq h ARG 11 N -1.26 0.02 0.00 4.56 2.43 -1.98 -3.01 114.38 115.14 2dnq h ARG 11 Ca -0.48 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 2dnq h ARG 11 Cb 1.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 2dnq h ARG 11 CO 0.63 0.71 -0.23 0.93 -1.51 0.00 0.00 179.97 180.50 2dnq h GLU 12 N 0.02 0.00 -6.60 0.20 4.39 -1.97 -3.46 114.58 107.16 2dnq h GLU 12 Ca -0.01 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.10 2dnq h GLU 12 Cb 1.23 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.99 2dnq h GLU 12 CO 0.09 0.23 0.32 0.00 -1.16 0.00 0.00 179.01 178.49 2dnq n ALA 13 N -2.17 0.51 -2.24 3.43 0.00 -1.14 -5.00 120.51 113.89 2dnq n ALA 13 Ca 0.02 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.70 2dnq n ALA 13 Cb 0.56 -2.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.77 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 -1.03 0.80 0.17 0.00 -4.23 -1.26 -4.96 115.64 105.13 2dnq s THR 14 Ca 0.58 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.96 2dnq s THR 14 Cb -0.64 -2.03 0.07 0.00 1.34 0.00 0.00 72.50 71.24 2dnq s THR 14 CO 0.61 -0.57 1.75 -0.33 -0.54 0.00 0.00 174.62 175.53 2dnq h GLU 15 N 2.73 0.31 0.16 3.99 4.39 -1.94 -2.62 114.58 121.60 2dnq h GLU 15 Ca -0.37 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 2dnq h GLU 15 Cb 1.20 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2dnq h GLU 15 CO 0.63 0.20 -0.10 0.37 -1.16 0.00 0.00 179.01 178.96 2dnq h GLN 16 N 0.32 -0.23 -0.73 2.33 4.15 -1.96 -0.90 115.11 118.09 2dnq h GLN 16 Ca 0.22 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.79 2dnq h GLN 16 Cb 0.22 0.05 -0.13 0.00 0.21 0.00 0.00 27.48 27.83 2dnq h GLN 16 CO -0.23 -0.16 -0.20 0.39 -1.93 0.00 0.00 178.83 176.71 2dnq n GLU 17 N -2.81 -0.08 0.04 1.69 -0.58 -1.19 -0.41 120.64 117.29 2dnq n GLU 17 Ca -0.03 1.13 -0.01 0.00 -0.42 0.00 0.00 57.16 57.83 2dnq n GLU 17 Cb 0.10 -1.69 -0.01 0.00 -0.57 0.00 0.00 31.44 29.28 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 0.00 -0.95 -3.67 1.08 -1.32 -2.09 117.51 110.56 2dnq h ILE 18 Ca 0.33 -0.01 0.22 0.00 -0.39 0.00 0.00 64.86 65.02 2dnq h ILE 18 Cb 0.51 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.09 2dnq h ILE 18 CO -0.74 0.00 -0.12 -1.14 -0.69 0.00 0.00 178.15 175.45 2dnq n ARG 19 N -2.26 -0.08 0.28 2.37 0.00 -0.32 -0.52 116.66 116.12 2dnq n ARG 19 Ca -0.01 1.45 -0.18 0.00 -0.00 0.00 0.00 57.85 59.11 2dnq n ARG 19 Cb 0.04 -2.23 -0.10 0.00 0.00 0.00 0.00 32.46 30.17 2dnq n ARG 19 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2dnq h SER 20 N 0.00 -1.42 -1.20 6.15 0.87 -0.70 -0.27 113.55 116.97 2dnq h SER 20 Ca 0.51 0.12 0.43 0.00 -1.23 0.00 0.00 61.79 61.62 2dnq h SER 20 Cb 0.91 0.47 -0.14 0.00 -0.44 0.00 0.00 62.40 63.21 2dnq h SER 20 CO -0.94 -0.66 0.75 0.18 -0.53 0.00 0.00 176.83 175.63 2dnq n LEU 21 N -5.56 0.22 0.13 2.23 4.77 0.32 0.21 117.00 119.33 2dnq n LEU 21 Ca -0.12 1.35 -0.21 0.00 -0.03 0.00 0.00 56.01 56.99 2dnq n LEU 21 Cb 0.46 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.74 2dnq n LEU 21 CO 0.25 -1.47 -0.18 -0.26 -1.33 0.00 0.00 177.39 174.40 2dnq h PHE 22 N 0.00 0.79 -1.06 -1.77 0.04 -1.06 -3.29 116.94 110.58 2dnq h PHE 22 Ca 0.81 -0.58 0.28 0.00 2.80 0.00 0.00 57.97 61.29 2dnq h PHE 22 Cb 2.51 -0.03 -0.09 0.00 2.20 0.00 0.00 35.95 40.54 2dnq h PHE 22 CO -0.01 1.46 0.69 0.93 -0.60 0.00 0.00 178.31 180.79 2dnq h GLU 23 N 0.12 0.34 -0.12 1.51 5.08 0.43 0.71 114.58 122.64 2dnq h GLU 23 Ca -0.22 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2dnq h GLU 23 Cb 2.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.26 2dnq h GLU 23 CO 0.25 0.22 0.07 1.96 -1.00 0.00 0.00 179.01 180.51 2dnq h GLN 24 N 0.35 0.16 -0.17 2.33 4.20 -1.53 -2.13 115.11 118.32 2dnq h GLN 24 Ca 0.61 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 59.22 2dnq h GLN 24 Cb 1.62 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 29.31 2dnq h GLN 24 CO -0.29 0.12 -0.30 0.66 -0.67 0.00 0.00 178.83 178.34 2dnq n TYR 25 N -4.51 0.51 0.00 2.96 4.02 0.23 -5.03 117.16 115.35 2dnq n TYR 25 Ca -0.01 -1.55 0.00 0.00 -0.01 0.00 0.00 57.90 56.33 2dnq n TYR 25 Cb 0.09 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.04 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 -1.12 4.21 3.42 2.72 0.00 -0.37 -4.51 105.19 109.54 2dnq n GLY 26 Ca 0.26 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.67 -0.59 -5.11 1.61 4.81 -1.26 -2.63 118.16 114.31 2dnq n LYS 27 Ca 0.00 -0.13 -0.32 0.00 -0.87 0.00 0.00 58.31 56.98 2dnq n LYS 27 Cb 0.00 -1.90 -0.17 0.00 0.02 0.00 0.00 35.03 32.99 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 -2.40 2.20 -0.06 3.15 1.01 -1.26 -2.70 120.40 120.34 2dnq s VAL 28 Ca 0.58 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 2dnq s VAL 28 Cb -0.20 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 2dnq s VAL 28 CO 0.66 0.55 -0.02 -0.07 0.00 0.00 0.00 175.10 176.23 2dnq h LEU 29 N 6.76 0.00 -9.00 3.92 3.38 -0.96 -3.49 115.31 115.92 2dnq h LEU 29 Ca -0.21 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.19 2dnq h LEU 29 Cb 1.23 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.82 2dnq h LEU 29 CO 0.49 0.29 -0.78 -1.61 0.09 0.00 0.00 178.44 176.92 2dnq s GLU 30 N -1.37 1.46 -0.25 1.13 0.41 -1.25 -4.99 118.70 113.85 2dnq s GLU 30 Ca -0.02 -1.57 -0.04 0.00 -0.41 0.00 0.00 54.97 52.93 2dnq s GLU 30 Cb 0.00 -1.55 0.13 0.00 -1.78 0.00 0.00 34.13 30.94 2dnq s GLU 30 CO 0.02 0.30 0.45 0.00 -0.49 0.00 0.00 175.26 175.55 2dnq s ASP 32 N 2.65 2.93 -0.24 0.00 2.15 -0.91 -4.97 116.67 118.27 2dnq s ASP 32 Ca 0.09 -1.01 -0.03 0.00 0.43 0.00 0.00 52.55 52.04 2dnq s ASP 32 Cb -0.14 -0.19 0.10 0.00 -0.30 0.00 0.00 42.92 42.39 2dnq s ASP 32 CO -0.16 -0.08 0.21 -0.63 -0.17 0.00 0.00 175.17 174.33 2dnq s ILE 33 N -2.72 -0.27 0.07 4.11 1.01 -1.26 -1.29 121.20 120.85 2dnq s ILE 33 Ca 0.24 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 2dnq s ILE 33 Cb -0.03 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 2dnq s ILE 33 CO 0.10 -0.40 0.15 -0.63 0.00 0.00 0.00 174.94 174.16 2dnq s ILE 34 N 2.27 0.15 -1.35 2.92 1.01 0.33 -4.89 121.20 121.63 2dnq s ILE 34 Ca 0.08 -1.22 -0.08 0.00 0.00 0.00 0.00 60.65 59.42 2dnq s ILE 34 Cb -0.15 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.05 2dnq s ILE 34 CO -0.23 -0.68 0.46 0.29 0.00 0.00 0.00 174.94 174.79 2dnq n LYS 35 N 0.13 -2.18 -3.91 2.79 4.76 -1.26 -0.06 118.16 118.43 2dnq n LYS 35 Ca -0.16 0.33 -0.31 0.00 -2.87 0.00 0.00 58.31 55.30 2dnq n LYS 35 Cb 0.61 -4.08 -0.01 0.00 -1.84 0.00 0.00 35.03 29.71 2dnq n LYS 35 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2dnq n ASN 36 N -2.81 -3.61 -3.65 4.39 4.13 -1.26 -4.92 115.26 107.53 2dnq n ASN 36 Ca -0.25 -0.77 -0.12 0.00 1.68 0.00 0.00 54.58 55.12 2dnq n ASN 36 Cb 0.66 -2.95 -0.06 0.00 -1.54 0.00 0.00 39.78 35.89 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 -3.15 -0.26 -0.01 3.10 -0.85 0.92 -3.13 117.35 113.97 2dnq s TYR 37 Ca 0.63 0.13 0.01 0.00 -0.52 0.00 0.00 57.07 57.32 2dnq s TYR 37 Cb -0.34 0.24 0.00 0.00 0.38 0.00 0.00 41.96 42.25 2dnq s TYR 37 CO 0.77 -0.62 -0.01 0.20 -1.52 0.00 0.00 175.55 174.37 2dnq s GLY 38 N -2.25 0.11 -0.21 5.49 0.00 0.16 0.12 107.32 110.74 2dnq s GLY 38 Ca -0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 44.72 44.60 2dnq s GLY 38 CO -0.05 0.07 0.05 -1.36 0.00 0.00 0.00 173.10 171.80 2dnq s PHE 39 N 0.16 3.14 -0.16 1.90 0.08 -0.41 -0.79 117.98 121.89 2dnq s PHE 39 Ca -0.01 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 56.83 2dnq s PHE 39 Cb -0.03 -2.13 0.00 0.00 -0.57 0.00 0.00 43.02 40.29 2dnq s PHE 39 CO -0.00 -0.11 -0.16 0.08 -0.10 0.00 0.00 175.22 174.93 2dnq s VAL 40 N 0.95 2.59 -0.59 -0.44 1.01 -0.19 -2.15 120.40 121.59 2dnq s VAL 40 Ca 0.03 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 2dnq s VAL 40 Cb -0.14 -2.09 0.15 0.00 0.00 0.00 0.00 36.38 34.30 2dnq s VAL 40 CO 0.03 0.52 0.48 -1.00 0.00 0.00 0.00 175.10 175.12 2dnq s HIS 41 N 0.88 3.47 0.92 5.22 0.09 -0.90 0.99 115.29 125.96 2dnq s HIS 41 Ca -0.04 -1.94 -0.12 0.00 -0.00 0.00 0.00 55.06 52.96 2dnq s HIS 41 Cb -0.15 -3.58 0.14 0.00 -0.00 0.00 0.00 32.58 29.00 2dnq s HIS 41 CO -0.01 -0.97 1.11 -1.50 -0.00 0.00 0.00 174.74 173.36 2dnq s ILE 42 N 0.90 2.29 0.00 0.60 2.07 -0.42 -0.33 121.20 126.32 2dnq s ILE 42 Ca 0.10 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 2dnq s ILE 42 Cb -0.22 -2.71 0.00 0.00 0.13 0.00 0.00 42.46 39.66 2dnq s ILE 42 CO -0.02 -0.12 0.33 1.21 -1.91 0.00 0.00 174.94 174.42 2dnq n GLU 43 N -3.88 0.00 -3.84 3.50 4.07 -1.10 -2.72 120.64 116.67 2dnq n GLU 43 Ca 0.06 0.25 -0.32 0.00 -0.06 0.00 0.00 57.16 57.08 2dnq n GLU 43 Cb 0.57 -0.97 -0.05 0.00 -0.06 0.00 0.00 31.44 30.94 2dnq n GLU 43 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2dnq s ASP 44 N -1.99 6.41 0.08 4.31 1.01 -1.26 -3.70 116.67 121.53 2dnq s ASP 44 Ca 0.00 0.40 -0.36 0.00 0.71 0.00 0.00 52.55 53.30 2dnq s ASP 44 Cb 0.00 -2.02 -0.17 0.00 1.01 0.00 0.00 42.92 41.74 2dnq s ASP 44 CO 0.00 0.19 1.56 0.50 0.21 0.00 0.00 175.17 177.62 2dnq h LYS 45 N 3.38 -0.99 -1.23 8.23 3.64 -1.90 -1.89 116.57 125.82 2dnq h LYS 45 Ca -0.47 0.07 0.38 0.00 -1.27 0.00 0.00 60.65 59.35 2dnq h LYS 45 Cb 1.17 0.23 -0.11 0.00 -0.41 0.00 0.00 32.23 33.11 2dnq h LYS 45 CO 0.72 -0.66 0.80 1.15 -2.27 0.00 0.00 179.45 179.18 2dnq h THR 46 N -1.03 0.26 -0.75 1.00 2.02 -1.97 0.88 112.91 113.33 2dnq h THR 46 Ca -0.07 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.06 2dnq h THR 46 Cb 0.89 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2dnq h THR 46 CO -0.05 0.03 0.50 0.00 0.37 0.00 0.00 175.52 176.37 2dnq h ALA 47 N 1.59 1.47 0.47 6.16 0.00 -1.61 -2.97 119.26 124.38 2dnq h ALA 47 Ca 0.74 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.58 2dnq h ALA 47 Cb 2.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2dnq h ALA 47 CO -0.36 0.49 -0.23 0.00 0.00 0.00 0.00 179.25 179.15 2dnq h ALA 48 N 1.53 -1.15 -0.94 0.00 0.00 0.92 -2.96 119.26 116.67 2dnq h ALA 48 Ca 0.28 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.22 2dnq h ALA 48 Cb -0.10 0.24 -0.17 0.00 0.00 0.00 0.00 17.79 17.77 2dnq h ALA 48 CO -0.06 -1.10 -0.28 0.39 0.00 0.00 0.00 179.25 178.19 2dnq n GLU 49 N -3.72 -0.14 -0.19 0.00 1.02 -1.19 0.26 120.64 116.69 2dnq n GLU 49 Ca -0.08 1.46 -0.04 0.00 -0.02 0.00 0.00 57.16 58.47 2dnq n GLU 49 Cb 0.25 -2.17 0.02 0.00 -0.02 0.00 0.00 31.44 29.52 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 -0.98 0.35 1.62 5.19 -1.46 -0.69 116.42 120.44 2dnq h ASP 50 Ca 0.40 0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 57.01 2dnq h ASP 50 Cb 0.64 0.51 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2dnq h ASP 50 CO -0.95 -0.28 -0.17 0.00 -3.12 0.00 0.00 179.24 174.71 2dnq h ALA 51 N 1.12 -0.49 -0.71 3.45 0.00 -0.02 -3.32 119.26 119.29 2dnq h ALA 51 Ca 0.24 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2dnq h ALA 51 Cb 0.53 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 2dnq h ALA 51 CO -0.64 -0.45 -0.40 -0.89 0.00 0.00 0.00 179.25 176.87 2dnq n ILE 52 N -4.96 -0.47 -0.33 0.00 5.41 0.14 0.10 119.36 119.25 2dnq n ILE 52 Ca -0.06 1.71 0.04 0.00 1.00 0.00 0.00 62.75 65.44 2dnq n ILE 52 Cb 0.19 -2.14 0.11 0.00 -0.71 0.00 0.00 39.64 37.09 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 -0.00 0.00 0.38 2.43 -1.25 0.35 114.38 116.28 2dnq h ARG 53 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2dnq h ARG 53 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2dnq h ARG 53 CO -0.67 -0.00 0.00 0.09 -1.51 0.00 0.00 179.97 177.87 2dnq n ASN 54 N -5.58 0.00 -0.23 -3.80 3.02 0.28 -4.04 115.26 104.91 2dnq n ASN 54 Ca 0.14 0.51 0.03 0.00 -0.03 0.00 0.00 54.58 55.23 2dnq n ASN 54 Cb 0.46 -0.40 0.08 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.71 -0.25 -4.56 3.41 4.77 0.61 -4.24 117.00 115.02 2dnq n LEU 55 Ca 0.00 1.10 -0.64 0.00 -0.03 0.00 0.00 56.01 56.44 2dnq n LEU 55 Cb 0.00 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 40.66 2dnq n LEU 55 CO 0.00 -1.05 1.38 1.57 -1.33 0.00 0.00 177.39 177.96 2dnq n HIS 56 N -5.03 1.56 -2.29 -1.77 -0.00 0.12 0.22 115.22 108.02 2dnq n HIS 56 Ca 0.10 0.96 -0.13 0.00 0.46 0.00 0.00 57.72 59.11 2dnq n HIS 56 Cb 0.31 -2.27 -0.00 0.00 -0.12 0.00 0.00 29.99 27.91 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 5.48 -0.67 -2.62 1.57 8.25 0.65 -4.93 115.22 122.97 2dnq n HIS 57 Ca 0.40 0.03 -0.43 0.00 -0.26 0.00 0.00 57.72 57.46 2dnq n HIS 57 Cb -0.04 -2.85 -0.02 0.00 1.12 0.00 0.00 29.99 28.21 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 -2.67 2.98 -0.65 4.41 6.14 0.60 -4.78 117.35 123.38 2dnq s TYR 58 Ca 0.02 0.96 -0.28 0.00 0.64 0.00 0.00 57.07 58.41 2dnq s TYR 58 Cb -0.01 -4.06 -0.12 0.00 0.42 0.00 0.00 41.96 38.19 2dnq s TYR 58 CO 0.02 -1.03 2.51 1.17 0.64 0.00 0.00 175.55 178.86 2dnq n LYS 59 N 7.36 0.71 -3.89 4.97 4.81 -1.26 -4.06 118.16 126.80 2dnq n LYS 59 Ca 0.12 -0.01 -0.32 0.00 -0.87 0.00 0.00 58.31 57.23 2dnq n LYS 59 Cb 0.48 -2.85 -0.13 0.00 0.02 0.00 0.00 35.03 32.56 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 11.26 4.65 -0.41 3.14 2.96 -1.15 -4.74 118.68 134.38 2dnq s LEU 60 Ca 1.10 -2.83 -0.01 0.00 -0.22 0.00 0.00 54.13 52.17 2dnq s LEU 60 Cb -0.51 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2dnq s LEU 60 CO 0.33 -0.30 0.35 1.41 -1.32 0.00 0.00 176.35 176.82 2dnq n HIS 61 N 3.40 -0.83 -2.45 5.38 8.25 -1.26 -3.47 115.22 124.24 2dnq n HIS 61 Ca 0.05 0.33 -0.20 0.00 -0.26 0.00 0.00 57.72 57.64 2dnq n HIS 61 Cb 0.35 -3.11 -0.01 0.00 1.12 0.00 0.00 29.99 28.35 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 -1.18 -0.50 3.53 -1.41 0.00 -1.26 -4.97 105.19 99.39 2dnq n GLY 62 Ca -0.08 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.00 1.19 -0.55 1.61 0.11 -1.23 -5.11 120.40 113.42 2dnq s VAL 63 Ca 0.02 -2.00 0.05 0.00 -2.93 0.00 0.00 61.98 57.12 2dnq s VAL 63 Cb -0.01 -2.66 0.17 0.00 -1.53 0.00 0.00 36.38 32.35 2dnq s VAL 63 CO 0.03 0.00 0.42 0.59 -3.33 0.00 0.00 175.10 172.80 2dnq n ASN 64 N -0.93 1.14 -4.75 3.54 4.13 -1.26 -2.93 115.26 114.19 2dnq n ASN 64 Ca -0.05 -2.76 -0.38 0.00 1.68 0.00 0.00 54.58 53.06 2dnq n ASN 64 Cb 0.66 -0.65 0.03 0.00 -1.54 0.00 0.00 39.78 38.29 2dnq n ASN 64 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2dnq s ILE 65 N -0.67 2.18 -0.29 2.41 -4.36 -1.26 -4.80 121.20 114.41 2dnq s ILE 65 Ca 0.29 0.14 -0.03 0.00 -0.26 0.00 0.00 60.65 60.79 2dnq s ILE 65 Cb 0.01 -3.07 0.04 0.00 1.25 0.00 0.00 42.46 40.68 2dnq s ILE 65 CO -0.18 0.00 0.00 0.20 0.24 0.00 0.00 174.94 175.20 2dnq s ASN 66 N -0.92 4.79 -0.15 4.36 0.01 -0.30 -0.25 114.94 122.49 2dnq s ASN 66 Ca 0.69 -1.09 -0.08 0.00 -0.71 0.00 0.00 52.86 51.67 2dnq s ASN 66 Cb -0.40 -1.73 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 2dnq s ASN 66 CO 0.48 -0.22 0.13 -0.69 -1.51 0.00 0.00 177.10 175.29 2dnq s VAL 67 N 1.31 5.43 -0.17 1.60 1.01 -1.26 -1.64 120.40 126.69 2dnq s VAL 67 Ca -0.03 0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 2dnq s VAL 67 Cb -0.19 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 32.86 2dnq s VAL 67 CO -0.01 0.55 0.68 -0.70 0.00 0.00 0.00 175.10 175.62 2dnq s GLU 68 N -0.52 0.91 -0.31 2.72 2.12 -0.64 -4.81 118.70 118.17 2dnq s GLU 68 Ca 0.12 0.64 -0.28 0.00 0.36 0.00 0.00 54.97 55.82 2dnq s GLU 68 Cb -0.12 0.43 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 2dnq s GLU 68 CO 0.02 -0.19 2.10 0.00 -0.54 0.00 0.00 175.26 176.65 2dnq s ALA 69 N -0.32 2.60 0.63 6.30 0.00 -1.26 -0.67 121.76 129.03 2dnq s ALA 69 Ca -0.05 0.46 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 2dnq s ALA 69 Cb -0.03 -4.10 -0.08 0.00 0.00 0.00 0.00 23.12 18.91 2dnq s ALA 69 CO 0.05 -3.02 0.38 0.45 0.00 0.00 0.00 175.76 173.61 2dnq n SER 70 N 11.89 -1.68 -4.67 0.00 2.88 -1.24 -4.83 113.62 115.98 2dnq n SER 70 Ca 0.28 0.65 -0.42 0.00 -1.33 0.00 0.00 58.87 58.05 2dnq n SER 70 Cb 0.47 -1.13 -0.04 0.00 -0.75 0.00 0.00 64.21 62.77 2dnq n SER 70 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2dnq s LYS 71 N -2.17 4.29 -0.12 -1.46 2.47 -1.26 -4.96 119.74 116.52 2dnq s LYS 71 Ca 0.65 1.11 -0.30 0.00 -1.56 0.00 0.00 55.97 55.86 2dnq s LYS 71 Cb -0.41 -3.59 0.12 0.00 -1.46 0.00 0.00 37.83 32.49 2dnq s LYS 71 CO 0.58 -0.41 0.98 0.54 0.16 0.00 0.00 175.35 177.21 2dnq s ASN 72 N 1.19 -0.36 -0.02 1.43 4.22 -1.26 -5.16 114.94 114.98 2dnq s ASN 72 Ca 0.40 0.29 0.01 0.00 -2.14 0.00 0.00 52.86 51.42 2dnq s ASN 72 Cb -0.16 0.32 0.01 0.00 1.28 0.00 0.00 41.25 42.70 2dnq s ASN 72 CO 0.11 -0.41 -0.03 -0.54 -2.04 0.00 0.00 177.10 174.20 2dnq s LYS 73 N -1.66 0.45 -0.46 3.55 -0.14 -1.26 -5.11 119.74 115.10 2dnq s LYS 73 Ca 0.00 -0.07 -0.29 0.00 -1.36 0.00 0.00 55.97 54.26 2dnq s LYS 73 Cb -0.01 -0.50 0.01 0.00 -1.68 0.00 0.00 37.83 35.65 2dnq s LYS 73 CO -0.01 -0.02 1.38 0.45 -0.76 0.00 0.00 175.35 176.39 2dnq s SER 74 N 0.51 6.30 0.37 2.83 0.15 -1.26 -5.00 113.70 117.60 2dnq s SER 74 Ca -0.06 0.62 -0.12 0.00 0.70 0.00 0.00 55.95 57.10 2dnq s SER 74 Cb -0.09 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.61 2dnq s SER 74 CO -0.01 -1.50 0.75 -0.75 1.20 0.00 0.00 173.24 172.94 2dnq s LYS 75 N 5.06 3.86 -0.16 5.44 2.20 -1.26 -5.08 119.74 129.80 2dnq s LYS 75 Ca 0.57 0.53 -0.02 0.00 -0.36 0.00 0.00 55.97 56.70 2dnq s LYS 75 Cb -0.12 -2.41 0.05 0.00 -1.51 0.00 0.00 37.83 33.84 2dnq s LYS 75 CO 0.30 0.04 -0.01 0.00 -0.36 0.00 0.00 175.35 175.33 2dnq s ALA 76 N -2.22 1.15 -0.62 3.13 0.00 -1.26 -4.95 121.76 116.99 2dnq s ALA 76 Ca 0.52 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 51.56 2dnq s ALA 76 Cb -0.10 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 2dnq s ALA 76 CO 0.26 -0.90 2.06 0.45 0.00 0.00 0.00 175.76 177.64 2dnq s SER 77 N 1.78 4.93 0.17 0.00 0.15 -1.26 -4.95 113.70 114.52 2dnq s SER 77 Ca 0.01 0.43 -0.02 0.00 0.70 0.00 0.00 55.95 57.07 2dnq s SER 77 Cb -0.16 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 2dnq s SER 77 CO -0.07 -2.65 0.37 -0.44 1.20 0.00 0.00 173.24 171.64 2dnq s SER 78 N 9.48 6.41 0.00 5.45 0.01 -1.26 -4.89 113.70 128.89 2dnq s SER 78 Ca 0.78 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.47 2dnq s SER 78 Cb -0.13 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2dnq s SER 78 CO 0.19 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.45 2dnq n GLY 79 N -0.40 0.78 3.57 3.44 0.00 -1.26 -5.05 105.19 106.27 2dnq n GLY 79 Ca -0.04 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.66 3.30 -0.29 1.61 0.04 -1.26 -4.93 135.00 132.81 2dnq s PRO 80 Ca 0.00 0.36 0.02 0.00 0.04 0.00 0.00 61.00 61.41 2dnq s PRO 80 Cb 0.00 -4.12 0.19 0.00 0.04 0.00 0.00 34.50 30.61 2dnq s PRO 80 CO 0.00 -1.94 0.57 -1.54 0.04 0.00 0.00 177.00 174.13 2dnq s SER 81 N 4.23 -1.28 -0.61 6.66 1.04 -1.26 -5.10 113.70 117.39 2dnq s SER 81 Ca 0.49 0.52 -0.36 0.00 0.48 0.00 0.00 55.95 57.08 2dnq s SER 81 Cb -0.10 2.00 -0.17 0.00 0.10 0.00 0.00 66.02 67.85 2dnq s SER 81 CO 0.24 -0.28 2.34 -1.20 0.98 0.00 0.00 173.24 175.32 2dnq n SER 82 N 5.42 1.10 0.00 7.02 7.64 -1.26 -5.29 113.62 128.26 2dnq n SER 82 Ca 0.01 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2dnq n SER 82 Cb 0.52 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2dnq n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64