#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 5.95 0.07 1.61 0.01 -1.26 -4.97 113.70 115.11 2dnq s SER -5 Ca 0.00 -1.11 -0.26 0.00 1.31 0.00 0.00 55.95 55.89 2dnq s SER -5 Cb 0.00 -2.10 -0.17 0.00 0.21 0.00 0.00 66.02 63.96 2dnq s SER -5 CO 0.00 -0.49 1.64 0.77 0.41 0.00 0.00 173.24 175.57 2dnq h SER -4 N 8.57 -0.27 0.00 2.44 4.64 -2.10 -3.45 113.55 123.38 2dnq h SER -4 Ca -0.26 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2dnq h SER -4 Cb 1.11 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2dnq h SER -4 CO 0.75 -0.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 2dnq n GLY -3 N -1.08 -0.18 3.71 -0.77 0.00 -1.26 -5.14 105.19 100.47 2dnq n GLY -3 Ca -0.09 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 6.82 0.00 1.61 1.04 -1.26 -4.87 113.70 117.03 2dnq s SER -2 Ca 0.00 2.29 0.00 0.00 0.48 0.00 0.00 55.95 58.72 2dnq s SER -2 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2dnq s SER -2 CO 0.00 -0.68 0.00 -1.20 0.98 0.00 0.00 173.24 172.34 2dnq n SER -1 N 4.38 0.47 0.00 7.02 7.64 -1.26 -5.10 113.62 126.78 2dnq n SER -1 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2dnq n SER -1 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2dnq n SER -1 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dnq n GLY 0 N 2.58 1.69 3.21 0.23 0.00 -1.26 -5.04 105.19 106.61 2dnq n GLY 0 Ca 0.00 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 2dnq n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dnq n MET 1 N 0.00 -1.47 -3.49 1.61 -0.00 -1.17 -4.10 117.12 108.50 2dnq n MET 1 Ca 0.00 -0.42 -0.06 0.00 -0.00 0.00 0.00 57.70 57.22 2dnq n MET 1 Cb 0.00 -1.58 -0.07 0.00 -0.00 0.00 0.00 33.22 31.57 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 -2.19 -0.71 0.41 3.17 1.01 -1.02 -4.83 120.40 116.25 2dnq s VAL 2 Ca 0.52 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.31 2dnq s VAL 2 Cb -0.08 -0.79 -0.08 0.00 0.00 0.00 0.00 36.38 35.43 2dnq s VAL 2 CO 0.64 -0.01 1.12 -0.75 0.00 0.00 0.00 175.10 176.10 2dnq s LYS 3 N 2.65 4.02 -0.11 2.72 2.20 -1.26 -1.58 119.74 128.38 2dnq s LYS 3 Ca 0.06 1.70 0.01 0.00 -0.36 0.00 0.00 55.97 57.38 2dnq s LYS 3 Cb -0.14 -2.56 0.02 0.00 -1.51 0.00 0.00 37.83 33.64 2dnq s LYS 3 CO -0.15 -0.31 -0.14 -0.51 -0.36 0.00 0.00 175.35 173.87 2dnq s LEU 4 N -2.68 1.68 -0.20 5.43 1.43 0.13 -3.11 118.68 121.36 2dnq s LEU 4 Ca 0.59 -0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 53.03 2dnq s LEU 4 Cb -0.27 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 2dnq s LEU 4 CO 0.34 0.00 0.80 0.12 0.23 0.00 0.00 176.35 177.84 2dnq s PHE 5 N 1.06 3.37 -0.23 0.29 5.36 -0.54 -2.11 117.98 125.18 2dnq s PHE 5 Ca -0.05 1.15 0.02 0.00 -0.96 0.00 0.00 56.93 57.09 2dnq s PHE 5 Cb -0.15 -3.00 0.05 0.00 -0.34 0.00 0.00 43.02 39.59 2dnq s PHE 5 CO -0.03 -0.30 -0.11 0.42 -1.46 0.00 0.00 175.22 173.75 2dnq s ILE 6 N 2.40 1.92 0.39 3.12 1.01 -0.43 -1.85 121.20 127.77 2dnq s ILE 6 Ca 0.35 -1.32 0.08 0.00 0.00 0.00 0.00 60.65 59.76 2dnq s ILE 6 Cb -0.16 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 2dnq s ILE 6 CO 0.10 0.09 0.17 -0.83 0.00 0.00 0.00 174.94 174.47 2dnq s GLY 7 N 1.25 2.22 -0.92 6.18 0.00 -0.81 -0.61 107.32 114.62 2dnq s GLY 7 Ca -0.05 -2.02 -0.02 0.00 0.00 0.00 0.00 44.72 42.63 2dnq s GLY 7 CO -0.07 -1.86 0.78 -2.01 0.00 0.00 0.00 173.10 169.93 2dnq n ASN 8 N -1.22 -2.98 -4.83 1.64 5.15 -1.20 -1.86 115.26 109.97 2dnq n ASN 8 Ca -0.01 -0.44 -0.37 0.00 -0.60 0.00 0.00 54.58 53.16 2dnq n ASN 8 Cb 0.63 -3.89 -0.06 0.00 -0.53 0.00 0.00 39.78 35.93 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 -5.34 4.44 0.00 1.20 1.43 -1.20 -4.26 118.68 114.95 2dnq s LEU 9 Ca 0.13 1.16 -0.12 0.00 -1.03 0.00 0.00 54.13 54.27 2dnq s LEU 9 Cb -0.06 -3.02 0.16 0.00 0.03 0.00 0.00 46.19 43.31 2dnq s LEU 9 CO 0.54 0.21 0.82 -0.81 0.23 0.00 0.00 176.35 177.34 2dnq n PRO 10 N 1.35 -1.31 0.02 1.29 -0.04 -1.26 -4.93 135.00 130.12 2dnq n PRO 10 Ca -0.09 -1.28 -0.08 0.00 -0.04 0.00 0.00 63.50 62.02 2dnq n PRO 10 Cb 0.51 -0.94 -0.13 0.00 -0.04 0.00 0.00 33.50 32.90 2dnq n PRO 10 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2dnq h ARG 11 N 0.00 0.00 0.00 0.54 0.11 -1.98 -3.30 114.38 109.75 2dnq h ARG 11 Ca -0.28 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.72 2dnq h ARG 11 Cb 0.79 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.85 2dnq h ARG 11 CO 0.19 0.74 -0.40 0.93 0.10 0.00 0.00 179.97 181.54 2dnq h GLU 12 N 0.00 0.00 -6.34 0.08 5.08 -1.97 -3.45 114.58 107.99 2dnq h GLU 12 Ca -0.14 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.56 2dnq h GLU 12 Cb 1.88 0.00 0.07 0.00 0.50 0.00 0.00 28.75 31.20 2dnq h GLU 12 CO 0.10 0.40 0.40 0.00 -1.00 0.00 0.00 179.01 178.92 2dnq n ALA 13 N -2.28 -0.59 -2.67 3.43 0.00 -1.24 -4.98 120.51 112.18 2dnq n ALA 13 Ca 0.00 0.48 -0.19 0.00 0.00 0.00 0.00 53.44 53.73 2dnq n ALA 13 Cb 0.55 -2.09 -0.14 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 0.17 0.79 0.26 0.00 -4.23 -1.26 -4.99 115.64 106.39 2dnq s THR 14 Ca 0.78 -0.49 0.14 0.00 -1.18 0.00 0.00 61.69 60.94 2dnq s THR 14 Cb -0.87 -0.67 0.26 0.00 1.34 0.00 0.00 72.50 72.56 2dnq s THR 14 CO 0.49 0.17 1.14 -0.62 -0.54 0.00 0.00 174.62 175.26 2dnq n GLU 15 N 2.70 -0.04 0.14 3.99 4.71 -1.26 -0.33 120.64 130.55 2dnq n GLU 15 Ca -0.14 1.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.95 2dnq n GLU 15 Cb 0.56 -1.78 -0.03 0.00 -1.01 0.00 0.00 31.44 29.19 2dnq n GLU 15 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 2dnq h GLN 16 N 0.00 -0.37 -0.96 3.49 4.15 -1.95 -0.48 115.11 118.99 2dnq h GLN 16 Ca 0.60 0.02 0.14 0.00 0.77 0.00 0.00 58.65 60.18 2dnq h GLN 16 Cb 1.56 0.08 -0.15 0.00 0.21 0.00 0.00 27.48 29.18 2dnq h GLN 16 CO -0.57 -0.24 -0.40 0.39 -1.93 0.00 0.00 178.83 176.08 2dnq n GLU 17 N -3.51 -0.25 -0.17 1.69 1.02 0.56 0.35 120.64 120.31 2dnq n GLU 17 Ca -0.05 1.47 -0.08 0.00 -0.02 0.00 0.00 57.16 58.49 2dnq n GLU 17 Cb 0.15 -2.18 0.02 0.00 -0.02 0.00 0.00 31.44 29.40 2dnq n GLU 17 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2dnq h ILE 18 N 0.00 1.18 0.61 -3.67 1.08 -1.37 -2.65 117.51 112.68 2dnq h ILE 18 Ca 0.31 -0.48 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 2dnq h ILE 18 Cb 0.55 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 2dnq h ILE 18 CO -0.95 0.20 -0.48 -0.09 -0.69 0.00 0.00 178.15 176.14 2dnq h ARG 19 N 0.67 -1.01 -0.75 2.37 2.43 0.16 -2.83 114.38 115.43 2dnq h ARG 19 Ca 0.18 0.07 0.15 0.00 -0.81 0.00 0.00 59.98 59.57 2dnq h ARG 19 Cb 0.07 0.23 -0.14 0.00 -0.42 0.00 0.00 29.97 29.71 2dnq h ARG 19 CO -0.03 -0.67 -0.16 0.77 -1.51 0.00 0.00 179.97 178.37 2dnq h SER 20 N -1.05 -0.64 -1.28 -3.80 0.02 -0.55 0.62 113.55 106.87 2dnq h SER 20 Ca -0.08 0.22 0.38 0.00 -0.84 0.00 0.00 61.79 61.47 2dnq h SER 20 Cb 0.87 0.44 -0.09 0.00 0.14 0.00 0.00 62.40 63.77 2dnq h SER 20 CO 0.01 -0.24 0.88 -0.07 -1.14 0.00 0.00 176.83 176.27 2dnq h LEU 21 N 0.01 0.19 0.08 5.07 3.38 -1.22 0.46 115.31 123.29 2dnq h LEU 21 Ca 0.37 0.06 -0.31 0.00 0.09 0.00 0.00 57.88 58.08 2dnq h LEU 21 Cb 0.58 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2dnq h LEU 21 CO -0.75 -0.02 -1.68 -0.26 0.09 0.00 0.00 178.44 175.81 2dnq h PHE 22 N 0.13 0.33 0.00 1.13 0.04 0.26 -3.31 116.94 115.52 2dnq h PHE 22 Ca 0.69 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 61.22 2dnq h PHE 22 Cb 2.33 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.47 2dnq h PHE 22 CO -0.00 1.37 0.14 0.39 -0.60 0.00 0.00 178.31 179.61 2dnq n GLU 23 N -3.35 0.10 0.10 1.51 -0.58 0.16 -0.23 120.64 118.35 2dnq n GLU 23 Ca -0.20 0.58 -0.04 0.00 -0.42 0.00 0.00 57.16 57.08 2dnq n GLU 23 Cb 1.04 -1.97 0.04 0.00 -0.57 0.00 0.00 31.44 29.99 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 -0.03 3.49 4.20 -1.55 -3.26 115.11 117.95 2dnq h GLN 24 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2dnq h GLN 24 Cb 0.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2dnq h GLN 24 CO 0.00 0.79 -0.43 0.66 -0.67 0.00 0.00 178.83 179.18 2dnq n TYR 25 N -3.59 0.10 0.00 2.96 4.01 0.68 -5.05 117.16 116.27 2dnq n TYR 25 Ca -0.01 -1.47 0.00 0.00 -0.16 0.00 0.00 57.90 56.26 2dnq n TYR 25 Cb 0.76 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 2dnq n TYR 25 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dnq n GLY 26 N -1.14 4.40 3.41 2.72 0.00 -0.91 -4.41 105.19 109.26 2dnq n GLY 26 Ca 0.20 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 2dnq n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dnq n LYS 27 N -1.52 -1.49 -4.09 1.61 5.02 -1.26 -3.04 118.16 113.39 2dnq n LYS 27 Ca 0.00 -0.40 -0.29 0.00 -2.02 0.00 0.00 58.31 55.60 2dnq n LYS 27 Cb 0.00 -1.96 -0.17 0.00 -0.02 0.00 0.00 35.03 32.89 2dnq n LYS 27 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dnq s VAL 28 N -2.37 1.48 -0.02 -0.18 1.01 -1.26 -2.82 120.40 116.25 2dnq s VAL 28 Ca 0.61 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 2dnq s VAL 28 Cb -0.19 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 2dnq s VAL 28 CO 0.65 0.44 0.26 -0.07 0.00 0.00 0.00 175.10 176.38 2dnq h LEU 29 N 7.94 -0.06 -9.35 3.92 3.38 -0.73 -3.48 115.31 116.93 2dnq h LEU 29 Ca -0.36 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.02 2dnq h LEU 29 Cb 1.14 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.78 2dnq h LEU 29 CO 0.51 0.05 -0.71 -1.61 0.09 0.00 0.00 178.44 176.76 2dnq s GLU 30 N -1.72 1.96 -0.30 1.13 2.02 -1.24 -4.97 118.70 115.60 2dnq s GLU 30 Ca -0.01 -1.55 -0.00 0.00 0.02 0.00 0.00 54.97 53.43 2dnq s GLU 30 Cb 0.00 -1.98 0.19 0.00 0.10 0.00 0.00 34.13 32.44 2dnq s GLU 30 CO 0.03 0.36 0.65 0.00 0.02 0.00 0.00 175.26 176.32 2dnq s ASP 32 N 2.86 3.06 -0.25 0.00 2.15 -0.88 -4.91 116.67 118.70 2dnq s ASP 32 Ca 0.16 -1.17 -0.03 0.00 0.43 0.00 0.00 52.55 51.94 2dnq s ASP 32 Cb -0.13 -0.22 0.11 0.00 -0.30 0.00 0.00 42.92 42.38 2dnq s ASP 32 CO -0.22 -0.27 0.23 -0.63 -0.17 0.00 0.00 175.17 174.11 2dnq s ILE 33 N -2.87 -0.30 0.04 4.11 1.01 -1.26 -1.44 121.20 120.50 2dnq s ILE 33 Ca 0.30 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.52 2dnq s ILE 33 Cb 0.02 -0.83 -0.00 0.00 0.01 0.00 0.00 42.46 41.66 2dnq s ILE 33 CO 0.13 -0.39 0.16 -0.63 0.00 0.00 0.00 174.94 174.21 2dnq s ILE 34 N 2.29 0.12 -1.49 2.92 1.01 0.32 -4.89 121.20 121.48 2dnq s ILE 34 Ca 0.08 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 2dnq s ILE 34 Cb -0.15 -0.94 0.06 0.00 0.01 0.00 0.00 42.46 41.44 2dnq s ILE 34 CO -0.23 -0.55 0.79 0.29 0.00 0.00 0.00 174.94 175.24 2dnq n LYS 35 N 0.66 -4.61 -2.06 2.79 4.76 -1.26 0.13 118.16 118.57 2dnq n LYS 35 Ca -0.19 0.53 -0.18 0.00 -2.87 0.00 0.00 58.31 55.60 2dnq n LYS 35 Cb 0.59 -5.18 -0.04 0.00 -1.84 0.00 0.00 35.03 28.56 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 -2.88 -5.11 -4.09 4.39 3.02 -1.26 -4.95 115.26 104.38 2dnq n ASN 36 Ca -0.09 0.21 -0.08 0.00 -0.03 0.00 0.00 54.58 54.59 2dnq n ASN 36 Cb 0.58 -4.39 -0.10 0.00 -0.61 0.00 0.00 39.78 35.26 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 -2.77 0.54 0.01 3.10 -0.85 0.12 -3.23 117.35 114.28 2dnq s TYR 37 Ca 0.00 -0.98 0.01 0.00 -0.52 0.00 0.00 57.07 55.58 2dnq s TYR 37 Cb 0.00 -0.39 -0.01 0.00 0.38 0.00 0.00 41.96 41.94 2dnq s TYR 37 CO 0.00 -0.32 -0.04 0.20 -1.52 0.00 0.00 175.55 173.87 2dnq s GLY 38 N -2.75 0.24 -0.25 5.49 0.00 0.22 0.12 107.32 110.39 2dnq s GLY 38 Ca 0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 44.72 44.37 2dnq s GLY 38 CO -0.08 -0.39 -0.05 -1.36 0.00 0.00 0.00 173.10 171.21 2dnq s PHE 39 N -0.69 3.06 -0.21 1.90 0.08 -0.52 -1.31 117.98 120.30 2dnq s PHE 39 Ca -0.05 -1.50 -0.00 0.00 0.12 0.00 0.00 56.93 55.49 2dnq s PHE 39 Cb -0.05 -2.07 0.02 0.00 -0.57 0.00 0.00 43.02 40.35 2dnq s PHE 39 CO -0.00 -0.71 -0.13 0.08 -0.10 0.00 0.00 175.22 174.35 2dnq s VAL 40 N 1.34 2.52 -0.47 -0.44 1.01 -0.90 -2.08 120.40 121.38 2dnq s VAL 40 Ca 0.01 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 2dnq s VAL 40 Cb -0.17 -2.16 0.08 0.00 0.00 0.00 0.00 36.38 34.13 2dnq s VAL 40 CO -0.04 0.40 0.39 -1.00 0.00 0.00 0.00 175.10 174.85 2dnq s HIS 41 N 1.32 3.26 0.83 5.22 3.76 -0.87 0.20 115.29 129.02 2dnq s HIS 41 Ca 0.03 -1.09 -0.12 0.00 -0.15 0.00 0.00 55.06 53.74 2dnq s HIS 41 Cb -0.15 -3.24 0.09 0.00 1.11 0.00 0.00 32.58 30.39 2dnq s HIS 41 CO -0.08 -0.84 1.11 -1.50 -0.85 0.00 0.00 174.74 172.58 2dnq s ILE 42 N 1.60 2.71 0.00 0.60 2.07 -0.61 -0.02 121.20 127.54 2dnq s ILE 42 Ca 0.04 0.23 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 2dnq s ILE 42 Cb -0.25 -3.00 0.00 0.00 0.13 0.00 0.00 42.46 39.34 2dnq s ILE 42 CO 0.05 -0.30 0.53 1.21 -1.91 0.00 0.00 174.94 174.52 2dnq n GLU 43 N -3.51 0.00 -4.12 3.50 2.13 -1.13 -2.43 120.64 115.08 2dnq n GLU 43 Ca 0.07 0.25 -0.33 0.00 0.66 0.00 0.00 57.16 57.81 2dnq n GLU 43 Cb 0.57 -1.10 -0.07 0.00 0.27 0.00 0.00 31.44 31.11 2dnq n GLU 43 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2dnq s ASP 44 N -2.01 5.65 0.07 4.31 2.15 -1.26 -3.06 116.67 122.52 2dnq s ASP 44 Ca 0.00 0.15 -0.25 0.00 0.43 0.00 0.00 52.55 52.88 2dnq s ASP 44 Cb 0.00 -1.62 -0.11 0.00 -0.30 0.00 0.00 42.92 40.89 2dnq s ASP 44 CO 0.00 0.29 1.39 0.50 -0.17 0.00 0.00 175.17 177.18 2dnq h LYS 45 N 4.22 -0.57 -1.82 4.34 1.63 -1.89 -0.84 116.57 121.65 2dnq h LYS 45 Ca -0.49 0.04 0.54 0.00 -0.85 0.00 0.00 60.65 59.89 2dnq h LYS 45 Cb 1.18 0.13 -0.09 0.00 -0.60 0.00 0.00 32.23 32.86 2dnq h LYS 45 CO 0.61 -0.38 1.29 2.41 -3.45 0.00 0.00 179.45 179.93 2dnq n THR 46 N -4.58 -0.05 -0.06 1.00 -1.04 -1.26 0.15 114.28 108.44 2dnq n THR 46 Ca -0.07 1.51 -0.12 0.00 -2.04 0.00 0.00 64.05 63.33 2dnq n THR 46 Cb 0.30 -2.51 -0.06 0.00 -1.82 0.00 0.00 70.33 66.24 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 1.09 0.25 -0.44 2.41 0.00 -1.41 -3.19 119.26 117.96 2dnq h ALA 47 Ca 0.91 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.64 2dnq h ALA 47 Cb 3.51 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 21.18 2dnq h ALA 47 CO -0.10 0.02 0.10 0.00 0.00 0.00 0.00 179.25 179.27 2dnq h ALA 48 N 0.72 0.49 -0.35 0.00 0.00 0.16 -3.00 119.26 117.27 2dnq h ALA 48 Ca 0.04 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2dnq h ALA 48 Cb 0.49 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2dnq h ALA 48 CO 0.02 -0.31 -0.21 0.39 0.00 0.00 0.00 179.25 179.15 2dnq n GLU 49 N -5.09 -0.15 -0.09 0.00 1.02 -1.09 0.10 120.64 115.33 2dnq n GLU 49 Ca 0.04 1.08 -0.04 0.00 -0.02 0.00 0.00 57.16 58.21 2dnq n GLU 49 Cb 0.20 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 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 -0.67 -0.15 1.62 3.58 -1.62 0.15 116.42 119.33 2dnq h ASP 50 Ca 0.06 0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.62 2dnq h ASP 50 Cb 0.14 0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 2dnq h ASP 50 CO -0.33 -0.10 -0.31 0.00 -2.88 0.00 0.00 179.24 175.62 2dnq h ALA 51 N -0.69 -0.63 -0.89 -0.78 0.00 -1.31 -2.42 119.26 112.53 2dnq h ALA 51 Ca 0.04 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2dnq h ALA 51 Cb 0.17 0.88 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 2dnq h ALA 51 CO -0.25 -0.76 -0.56 0.82 0.00 0.00 0.00 179.25 178.49 2dnq h ILE 52 N -0.28 0.00 -0.96 0.00 2.04 0.08 0.69 117.51 119.08 2dnq h ILE 52 Ca 0.03 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.06 2dnq h ILE 52 Cb 0.36 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.27 2dnq h ILE 52 CO -0.29 0.00 -0.30 0.54 0.00 0.00 0.00 178.15 178.10 2dnq n ARG 53 N -5.29 -0.15 0.00 2.37 1.74 0.48 -0.04 116.66 115.77 2dnq n ARG 53 Ca 0.02 1.49 -0.00 0.00 -0.77 0.00 0.00 57.85 58.58 2dnq n ARG 53 Cb 0.29 -2.22 -0.00 0.00 -1.02 0.00 0.00 32.46 29.51 2dnq n ARG 53 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2dnq h ASN 54 N 0.00 -0.02 -0.58 0.55 2.35 -0.41 -3.34 115.58 114.13 2dnq h ASN 54 Ca 0.40 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 56.34 2dnq h ASN 54 Cb 0.64 0.01 -0.11 0.00 0.05 0.00 0.00 38.32 38.91 2dnq h ASN 54 CO -0.97 0.04 0.10 0.18 -1.65 0.00 0.00 177.43 175.13 2dnq n LEU 55 N -2.40 0.01 -4.69 1.61 4.77 0.21 -4.28 117.00 112.23 2dnq n LEU 55 Ca -0.00 0.98 -0.59 0.00 -0.03 0.00 0.00 56.01 56.37 2dnq n LEU 55 Cb 0.01 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 2dnq n LEU 55 CO 0.01 -1.02 1.18 1.57 -1.33 0.00 0.00 177.39 177.80 2dnq n HIS 56 N -4.61 1.83 -3.37 -1.77 -0.00 0.94 0.46 115.22 108.70 2dnq n HIS 56 Ca 0.16 0.72 -0.24 0.00 0.46 0.00 0.00 57.72 58.82 2dnq n HIS 56 Cb 0.53 -2.37 0.06 0.00 -0.12 0.00 0.00 29.99 28.09 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 4.44 -2.44 -2.99 1.57 8.25 -0.43 -4.95 115.22 118.68 2dnq n HIS 57 Ca 0.26 0.79 -0.33 0.00 -0.26 0.00 0.00 57.72 58.18 2dnq n HIS 57 Cb 0.09 -4.69 -0.07 0.00 1.12 0.00 0.00 29.99 26.45 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 -3.25 3.35 -0.67 4.41 6.14 0.17 -4.81 117.35 122.71 2dnq s TYR 58 Ca 0.47 1.40 -0.21 0.00 0.64 0.00 0.00 57.07 59.37 2dnq s TYR 58 Cb -0.21 -2.68 0.08 0.00 0.42 0.00 0.00 41.96 39.57 2dnq s TYR 58 CO 0.58 0.01 0.92 0.21 0.64 0.00 0.00 175.55 177.91 2dnq s LYS 59 N -3.04 3.14 -0.54 4.97 2.20 -1.25 -2.79 119.74 122.43 2dnq s LYS 59 Ca 0.57 -1.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.18 2dnq s LYS 59 Cb -0.10 -4.30 0.14 0.00 -1.51 0.00 0.00 37.83 32.06 2dnq s LYS 59 CO 0.16 -1.75 0.29 -1.17 -0.36 0.00 0.00 175.35 172.52 2dnq s LEU 60 N 3.63 4.54 -0.34 5.43 2.96 -0.65 -4.72 118.68 129.53 2dnq s LEU 60 Ca 0.21 -2.95 -0.01 0.00 -0.22 0.00 0.00 54.13 51.15 2dnq s LEU 60 Cb -0.17 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.83 2dnq s LEU 60 CO 0.07 -0.27 0.29 1.41 -1.32 0.00 0.00 176.35 176.54 2dnq n HIS 61 N 3.23 -0.66 -2.84 5.38 8.25 -1.26 -3.63 115.22 123.68 2dnq n HIS 61 Ca 0.06 0.26 -0.16 0.00 -0.26 0.00 0.00 57.72 57.62 2dnq n HIS 61 Cb 0.34 -2.57 0.03 0.00 1.12 0.00 0.00 29.99 28.91 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 -0.99 -0.18 2.99 -1.41 0.00 -1.26 -5.02 105.19 99.32 2dnq n GLY 62 Ca -0.05 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.02 0.24 -0.95 1.61 0.11 -1.24 -5.09 120.40 112.06 2dnq s VAL 63 Ca 0.23 -0.83 -0.02 0.00 -2.93 0.00 0.00 61.98 58.43 2dnq s VAL 63 Cb -0.10 -0.34 0.26 0.00 -1.53 0.00 0.00 36.38 34.67 2dnq s VAL 63 CO 0.29 -0.38 1.05 0.59 -3.33 0.00 0.00 175.10 173.32 2dnq n ASN 64 N 1.78 5.04 -4.53 3.54 4.13 -1.26 -1.63 115.26 122.33 2dnq n ASN 64 Ca -0.22 -3.26 -0.34 0.00 1.68 0.00 0.00 54.58 52.45 2dnq n ASN 64 Cb 0.56 -1.11 0.11 0.00 -1.54 0.00 0.00 39.78 37.80 2dnq n ASN 64 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2dnq n ILE 65 N 1.81 1.06 -4.84 2.41 -5.35 -1.12 -4.71 119.36 108.62 2dnq n ILE 65 Ca 0.25 -0.24 -0.33 0.00 -0.27 0.00 0.00 62.75 62.17 2dnq n ILE 65 Cb 0.37 -0.85 -0.16 0.00 -1.74 0.00 0.00 39.64 37.26 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 -1.95 3.43 -0.11 7.28 0.01 -0.78 -1.31 114.94 121.52 2dnq s ASN 66 Ca 0.65 -0.50 0.01 0.00 -0.71 0.00 0.00 52.86 52.31 2dnq s ASN 66 Cb -0.27 -1.50 -0.01 0.00 0.41 0.00 0.00 41.25 39.87 2dnq s ASN 66 CO 0.59 0.12 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.46 2dnq s VAL 67 N 0.57 2.84 -0.26 1.60 1.01 -1.26 -1.93 120.40 122.96 2dnq s VAL 67 Ca -0.11 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 2dnq s VAL 67 Cb -0.16 -2.16 0.08 0.00 0.00 0.00 0.00 36.38 34.14 2dnq s VAL 67 CO 0.04 0.54 0.64 -1.83 0.00 0.00 0.00 175.10 174.49 2dnq s GLU 68 N 0.14 0.65 0.46 2.72 -1.05 -0.77 -4.80 118.70 116.05 2dnq s GLU 68 Ca -0.08 1.15 -0.23 0.00 -0.15 0.00 0.00 54.97 55.67 2dnq s GLU 68 Cb -0.15 0.13 -0.09 0.00 -0.44 0.00 0.00 34.13 33.57 2dnq s GLU 68 CO 0.05 -0.15 0.97 0.00 0.95 0.00 0.00 175.26 177.07 2dnq n ALA 69 N 4.34 0.09 -1.61 -0.84 0.00 -1.26 -1.46 120.51 119.76 2dnq n ALA 69 Ca -0.20 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 2dnq n ALA 69 Cb 0.58 -2.07 0.06 0.00 0.00 0.00 0.00 19.45 18.02 2dnq n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dnq n SER 70 N 0.29 6.87 -3.70 0.00 2.88 -1.18 -4.69 113.62 114.08 2dnq n SER 70 Ca 0.10 -3.78 -0.11 0.00 -1.33 0.00 0.00 58.87 53.75 2dnq n SER 70 Cb 0.41 -0.80 -0.11 0.00 -0.75 0.00 0.00 64.21 62.95 2dnq n SER 70 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dnq s LYS 71 N -3.78 0.34 -0.77 -1.46 -0.14 -1.26 -4.93 119.74 107.73 2dnq s LYS 71 Ca 0.60 0.72 -0.11 0.00 -1.36 0.00 0.00 55.97 55.81 2dnq s LYS 71 Cb 0.47 -0.05 0.20 0.00 -1.68 0.00 0.00 37.83 36.78 2dnq s LYS 71 CO -0.04 -0.16 0.68 1.21 -0.76 0.00 0.00 175.35 176.28 2dnq s ASN 72 N 1.37 6.38 -0.01 2.83 3.84 -1.26 -5.02 114.94 123.06 2dnq s ASN 72 Ca -0.09 -2.72 0.02 0.00 0.21 0.00 0.00 52.86 50.27 2dnq s ASN 72 Cb -0.09 -2.12 0.00 0.00 -0.55 0.00 0.00 41.25 38.49 2dnq s ASN 72 CO -0.12 -0.53 -0.06 -0.75 -2.79 0.00 0.00 177.10 172.86 2dnq s LYS 73 N 0.13 0.52 0.19 0.43 2.20 -1.26 -5.15 119.74 116.79 2dnq s LYS 73 Ca 0.17 -0.19 -0.19 0.00 -0.36 0.00 0.00 55.97 55.40 2dnq s LYS 73 Cb -0.13 -0.52 0.04 0.00 -1.51 0.00 0.00 37.83 35.72 2dnq s LYS 73 CO -0.07 0.09 0.55 -1.54 -0.36 0.00 0.00 175.35 174.02 2dnq s SER 74 N 0.05 -0.35 -0.02 1.43 1.04 -1.26 -5.09 113.70 109.49 2dnq s SER 74 Ca -0.00 -0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.05 2dnq s SER 74 Cb -0.04 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 2dnq s SER 74 CO -0.00 -1.04 -0.10 1.17 0.98 0.00 0.00 173.24 174.25 2dnq n LYS 75 N -0.35 0.15 -4.12 4.02 0.00 -1.26 -5.06 118.16 111.54 2dnq n LYS 75 Ca -0.12 0.06 -0.27 0.00 0.00 0.00 0.00 58.31 57.98 2dnq n LYS 75 Cb 0.63 -0.76 -0.06 0.00 0.00 0.00 0.00 35.03 34.83 2dnq n LYS 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dnq s ALA 76 N -2.20 3.44 -0.20 3.14 0.00 -1.26 -5.05 121.76 119.63 2dnq s ALA 76 Ca -0.09 -1.22 -0.18 0.00 0.00 0.00 0.00 51.96 50.46 2dnq s ALA 76 Cb 0.03 -1.25 -0.20 0.00 0.00 0.00 0.00 23.12 21.69 2dnq s ALA 76 CO 0.13 0.55 0.20 0.45 0.00 0.00 0.00 175.76 177.08 2dnq n SER 77 N -0.10 1.92 -4.40 0.00 2.88 -1.26 -4.92 113.62 107.73 2dnq n SER 77 Ca -0.09 0.37 -0.32 0.00 -1.33 0.00 0.00 58.87 57.50 2dnq n SER 77 Cb 0.54 -0.94 -0.14 0.00 -0.75 0.00 0.00 64.21 62.92 2dnq n SER 77 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dnq s SER 78 N -6.93 3.80 0.14 -3.46 0.01 -1.26 -5.12 113.70 100.88 2dnq s SER 78 Ca -0.28 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 56.55 2dnq s SER 78 Cb 0.07 -1.05 -0.07 0.00 0.21 0.00 0.00 66.02 65.18 2dnq s SER 78 CO 0.62 0.27 0.51 -0.83 0.41 0.00 0.00 173.24 174.22 2dnq s GLY 79 N -0.30 2.40 0.45 3.44 0.00 -1.26 -4.96 107.32 107.09 2dnq s GLY 79 Ca 0.02 -0.22 0.28 0.00 0.00 0.00 0.00 44.72 44.80 2dnq s GLY 79 CO 0.03 0.03 1.72 -2.55 0.00 0.00 0.00 173.10 172.32 2dnq h PRO 80 N 3.43 0.19 -6.34 2.90 0.11 -2.03 -3.45 132.00 126.81 2dnq h PRO 80 Ca -0.48 -0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.14 2dnq h PRO 80 Cb 1.19 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2dnq h PRO 80 CO 0.67 0.12 -0.83 0.43 -0.21 0.00 0.00 178.00 178.17 2dnq n SER 81 N -4.52 -1.86 -0.30 -2.05 7.64 -1.26 -4.85 113.62 106.42 2dnq n SER 81 Ca 0.30 -0.89 -0.07 0.00 1.01 0.00 0.00 58.87 59.22 2dnq n SER 81 Cb 1.20 -3.55 -0.02 0.00 -1.01 0.00 0.00 64.21 60.82 2dnq n SER 81 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dnq h SER 82 N -1.87 -1.60 0.00 6.43 4.64 -2.05 -3.57 113.55 115.53 2dnq h SER 82 Ca -0.61 0.28 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2dnq h SER 82 Cb 1.37 0.75 0.00 0.00 -0.31 0.00 0.00 62.40 64.22 2dnq h SER 82 CO 0.63 -0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.90