#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ahq s TYR 2 N 0.00 -0.06 0.00 1.09 5.04 -1.26 -5.15 117.35 117.01 2ahq s TYR 2 Ca 0.00 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 2ahq s TYR 2 Cb 0.00 0.49 0.00 0.00 0.35 0.00 0.00 41.96 42.80 2ahq s TYR 2 CO 0.00 -0.04 0.00 0.43 -1.34 0.00 0.00 175.55 174.60 2ahq n SER 3 N 0.93 0.00 -0.49 4.32 7.64 -1.26 -5.19 113.62 119.56 2ahq n SER 3 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2ahq n SER 3 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2ahq n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ahq n LEU 4 N 0.00 0.00 0.00 -3.43 -0.00 -1.26 -5.16 117.00 107.15 2ahq n LEU 4 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.06 2ahq n LEU 4 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 2ahq n LEU 4 CO 0.00 0.00 -0.07 0.54 -0.00 0.00 0.00 177.39 177.86 2ahq n ARG 5 N 0.00 -0.79 -2.60 1.47 1.74 -1.26 -5.00 116.66 110.22 2ahq n ARG 5 Ca 0.00 0.52 -0.03 0.00 -0.77 0.00 0.00 57.85 57.58 2ahq n ARG 5 Cb 0.00 -0.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 2ahq n ARG 5 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2ahq n THR 6 N -2.37-10.45 -3.15 0.55 -1.04 -1.26 -5.07 114.28 91.49 2ahq n THR 6 Ca 0.00 1.31 0.05 0.00 -2.04 0.00 0.00 64.05 63.37 2ahq n THR 6 Cb 0.18 -6.68 -0.01 0.00 -1.82 0.00 0.00 70.33 62.00 2ahq n THR 6 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2ahq s PHE 7 N -1.78 -0.47 -0.08 -1.42 5.36 -1.26 -5.18 117.98 113.15 2ahq s PHE 7 Ca 0.08 0.40 -0.31 0.00 -0.96 0.00 0.00 56.93 56.14 2ahq s PHE 7 Cb -0.02 0.13 0.12 0.00 -0.34 0.00 0.00 43.02 42.91 2ahq s PHE 7 CO 0.68 -0.26 1.38 0.12 -1.46 0.00 0.00 175.22 175.68 2ahq s PHE 8 N 2.96 -0.00 0.00 10.12 5.36 -1.26 -5.15 117.98 130.01 2ahq s PHE 8 Ca 0.09 -0.03 0.00 0.00 -0.96 0.00 0.00 56.93 56.03 2ahq s PHE 8 Cb -0.07 0.51 0.00 0.00 -0.34 0.00 0.00 43.02 43.13 2ahq s PHE 8 CO -0.15 -0.07 0.00 0.28 -1.46 0.00 0.00 175.22 173.82 2ahq n VAL 9 N -0.75 0.00 0.00 3.12 0.31 -1.26 -5.14 118.33 114.61 2ahq n VAL 9 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2ahq n VAL 9 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 2ahq n VAL 9 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2ahq n ARG 10 N 0.00 0.00 -3.65 5.55 5.12 -1.26 -5.15 116.66 117.27 2ahq n ARG 10 Ca 0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 2ahq n ARG 10 Cb 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.23 2ahq n ARG 10 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2ahq s GLU 11 N 0.00 0.15 -0.07 5.56 2.12 -1.26 -5.19 118.70 120.01 2ahq s GLU 11 Ca 0.00 0.20 -0.29 0.00 0.36 0.00 0.00 54.97 55.24 2ahq s GLU 11 Cb 0.00 0.06 0.09 0.00 0.26 0.00 0.00 34.13 34.54 2ahq s GLU 11 CO 0.00 -0.02 1.31 0.45 -0.54 0.00 0.00 175.26 176.45 2ahq n SER 12 N 2.24 -1.02 -2.72 -1.70 2.88 -1.26 -5.13 113.62 106.90 2ahq n SER 12 Ca -0.13 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 2ahq n SER 12 Cb 0.57 1.55 0.00 0.00 -0.75 0.00 0.00 64.21 65.58 2ahq n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ahq n ALA 13 N -1.05 0.00 -0.88 -1.46 0.00 -1.26 -4.64 120.51 111.22 2ahq n ALA 13 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 2ahq n ALA 13 Cb 0.56 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.89 2ahq n ALA 13 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ahq n GLU 14 N 0.00 1.74 -0.88 0.00 2.13 -1.26 -4.56 120.64 117.81 2ahq n GLU 14 Ca 0.00 -0.78 0.00 0.00 0.66 0.00 0.00 57.16 57.04 2ahq n GLU 14 Cb 0.00 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 29.98 2ahq n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ahq n GLY 15 N 2.14 0.32 3.74 8.31 0.00 -1.26 -4.95 105.19 113.49 2ahq n GLY 15 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 2ahq n GLY 15 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ahq s LEU 16 N 0.00 3.67 0.34 0.99 0.05 -1.26 -5.00 118.68 117.46 2ahq s LEU 16 Ca 0.00 2.54 -0.06 0.00 0.05 0.00 0.00 54.13 56.66 2ahq s LEU 16 Cb 0.00 -4.55 -0.05 0.00 -2.05 0.00 0.00 46.19 39.54 2ahq s LEU 16 CO 0.00 -1.74 0.63 0.42 -0.55 0.00 0.00 176.35 175.11 2ahq s THR 17 N -1.46 4.96 0.43 5.48 -4.23 -1.26 -4.78 115.64 114.77 2ahq s THR 17 Ca 0.78 0.19 0.19 0.00 -1.18 0.00 0.00 61.69 61.67 2ahq s THR 17 Cb -0.35 -3.75 0.39 0.00 1.34 0.00 0.00 72.50 70.14 2ahq s THR 17 CO 0.38 -0.42 1.86 -0.61 -0.54 0.00 0.00 174.62 175.29 2ahq h GLN 18 N 1.42 0.34 -0.07 3.99 4.15 -2.01 0.27 115.11 123.20 2ahq h GLN 18 Ca -0.48 -0.02 -0.21 0.00 0.77 0.00 0.00 58.65 58.71 2ahq h GLN 18 Cb 1.19 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2ahq h GLN 18 CO 0.65 0.23 -0.82 0.78 -1.93 0.00 0.00 178.83 177.73 2ahq h GLY 19 N 0.35 0.57 0.93 2.39 0.00 -2.02 -3.19 103.07 102.09 2ahq h GLY 19 Ca 0.46 -0.86 0.02 0.00 0.00 0.00 0.00 47.33 46.96 2ahq h GLY 19 CO -0.16 0.77 0.59 0.83 0.00 0.00 0.00 176.54 178.57 2ahq h GLU 20 N 0.33 1.14 -0.93 4.80 4.39 -0.87 -1.39 114.58 122.04 2ahq h GLU 20 Ca -0.06 -0.07 0.17 0.00 0.34 0.00 0.00 59.36 59.75 2ahq h GLU 20 Cb 1.43 -0.26 -0.10 0.00 -0.10 0.00 0.00 28.75 29.72 2ahq h GLU 20 CO 0.15 0.75 0.52 1.25 -1.16 0.00 0.00 179.01 180.52 2ahq h LEU 21 N 1.17 0.65 0.56 1.33 7.12 -1.32 0.88 115.31 125.69 2ahq h LEU 21 Ca 0.35 0.10 -0.02 0.00 0.13 0.00 0.00 57.88 58.44 2ahq h LEU 21 Cb -0.05 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.05 2ahq h LEU 21 CO -0.10 0.24 -0.50 -0.03 -0.13 0.00 0.00 178.44 177.92 2ahq h MET 22 N 0.69 -1.00 -0.14 1.25 4.05 -1.33 1.31 114.93 119.74 2ahq h MET 22 Ca 0.52 0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.98 2ahq h MET 22 Cb 0.79 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 2ahq h MET 22 CO -0.38 -0.67 -0.06 -0.22 0.23 0.00 0.00 176.91 175.81 2ahq h LYS 23 N -1.04 0.21 -0.35 0.39 3.64 -1.26 0.23 116.57 118.40 2ahq h LYS 23 Ca -0.07 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 2ahq h LYS 23 Cb 0.88 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2ahq h LYS 23 CO -0.02 0.29 -0.04 1.25 -2.27 0.00 0.00 179.45 178.65 2ahq h LEU 24 N 0.21 0.64 -0.26 5.20 6.46 0.15 0.77 115.31 128.47 2ahq h LEU 24 Ca 0.05 -0.34 -0.06 0.00 -0.12 0.00 0.00 57.88 57.40 2ahq h LEU 24 Cb 0.25 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2ahq h LEU 24 CO 0.01 0.83 -0.09 0.40 -0.62 0.00 0.00 178.44 178.97 2ahq h ILE 25 N 0.44 1.29 -0.28 4.05 2.04 0.24 -2.80 117.51 122.49 2ahq h ILE 25 Ca 0.09 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 2ahq h ILE 25 Cb 0.53 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 2ahq h ILE 25 CO 0.03 0.35 -0.13 0.50 0.00 0.00 0.00 178.15 178.90 2ahq h LYS 26 N 0.25 0.48 -1.00 2.37 3.64 -0.47 -2.40 116.57 119.44 2ahq h LYS 26 Ca 0.06 -0.14 0.14 0.00 -1.27 0.00 0.00 60.65 59.44 2ahq h LYS 26 Cb 0.57 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.25 2ahq h LYS 26 CO 0.03 0.61 0.63 0.93 -2.27 0.00 0.00 179.45 179.38 2ahq h GLU 27 N 0.44 0.91 -0.49 1.90 5.08 0.82 1.57 114.58 124.81 2ahq h GLU 27 Ca 0.08 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2ahq h GLU 27 Cb 0.50 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2ahq h GLU 27 CO 0.03 0.60 -0.18 0.82 -1.00 0.00 0.00 179.01 179.28 2ahq h ILE 28 N 0.93 1.27 -0.00 3.13 2.04 -1.28 -1.96 117.51 121.65 2ahq h ILE 28 Ca 0.51 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 65.04 2ahq h ILE 28 Cb 0.59 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2ahq h ILE 28 CO -0.29 0.46 -0.04 0.52 0.00 0.00 0.00 178.15 178.81 2ahq n VAL 29 N -4.15 0.00 -0.30 1.67 0.31 0.18 -3.63 118.33 112.41 2ahq n VAL 29 Ca 0.00 -0.06 0.34 0.00 -0.01 0.00 0.00 64.34 64.62 2ahq n VAL 29 Cb 0.44 -0.21 0.75 0.00 -0.91 0.00 0.00 33.84 33.91 2ahq n VAL 29 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2ahq h GLU 30 N 0.56 0.00 -0.04 5.55 4.22 0.30 -2.93 114.58 122.23 2ahq h GLU 30 Ca 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.24 2ahq h GLU 30 Cb 0.24 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.32 2ahq h GLU 30 CO 0.00 0.00 -0.36 0.27 -2.18 0.00 0.00 179.01 176.74 2ahq n ASN 31 N -4.16 -1.47 -4.08 1.04 0.23 -1.25 -5.08 115.26 100.49 2ahq n ASN 31 Ca 0.25 -2.33 -0.37 0.00 -0.53 0.00 0.00 54.58 51.60 2ahq n ASN 31 Cb 1.22 0.76 0.03 0.00 -2.08 0.00 0.00 39.78 39.70 2ahq n ASN 31 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2ahq n GLU 32 N -1.09 0.00 -2.52 -3.83 0.28 -1.11 -4.92 120.64 107.45 2ahq n GLU 32 Ca -0.10 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.60 2ahq n GLU 32 Cb 0.86 -1.01 -0.01 0.00 1.43 0.00 0.00 31.44 32.71 2ahq n GLU 32 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2ahq s ASP 33 N -1.01 6.38 0.00 -1.84 -1.08 0.10 -4.93 116.67 114.30 2ahq s ASP 33 Ca 0.45 1.17 0.00 0.00 -0.52 0.00 0.00 52.55 53.66 2ahq s ASP 33 Cb -0.28 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 2ahq s ASP 33 CO 0.78 -0.58 0.78 0.29 0.52 0.00 0.00 175.17 176.95 2ahq n LYS 34 N -1.96 0.00 0.00 4.34 4.76 -1.26 -2.30 118.16 121.74 2ahq n LYS 34 Ca 0.03 0.43 0.12 0.00 -2.87 0.00 0.00 58.31 56.01 2ahq n LYS 34 Cb 0.54 -1.35 0.59 0.00 -1.84 0.00 0.00 35.03 32.98 2ahq n LYS 34 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2ahq n ARG 35 N -1.78 0.32 -3.57 1.97 1.85 -1.26 -4.00 116.66 110.18 2ahq n ARG 35 Ca 0.00 0.06 -0.28 0.00 -1.00 0.00 0.00 57.85 56.64 2ahq n ARG 35 Cb 0.00 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.80 2ahq n ARG 35 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2ahq s LYS 36 N -2.59 1.39 0.00 2.89 1.02 -1.19 -5.11 119.74 116.15 2ahq s LYS 36 Ca 0.22 -2.43 0.00 0.00 0.02 0.00 0.00 55.97 53.77 2ahq s LYS 36 Cb 0.16 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 2ahq s LYS 36 CO 0.36 -1.33 0.00 -0.35 -0.92 0.00 0.00 175.35 173.11 2ahq n PRO 37 N 2.70 1.26 -2.90 -1.68 -0.04 -0.97 0.03 135.00 133.39 2ahq n PRO 37 Ca 0.24 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 2ahq n PRO 37 Cb 0.42 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.92 2ahq n PRO 37 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ahq n TYR 38 N -0.21 -1.82 -0.87 0.54 4.01 -1.26 -4.57 117.16 112.98 2ahq n TYR 38 Ca 0.00 -2.71 -0.04 0.00 -0.16 0.00 0.00 57.90 54.99 2ahq n TYR 38 Cb 0.00 0.87 0.03 0.00 -0.31 0.00 0.00 39.34 39.94 2ahq n TYR 38 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2ahq n SER 39 N 0.51 -0.55 -0.08 7.72 3.41 -1.26 -4.42 113.62 118.94 2ahq n SER 39 Ca 0.13 -0.84 0.06 0.00 -0.26 0.00 0.00 58.87 57.96 2ahq n SER 39 Cb 0.67 -0.15 0.41 0.00 -0.26 0.00 0.00 64.21 64.88 2ahq n SER 39 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2ahq h ASP 40 N -0.74 0.53 0.00 4.04 2.03 -1.98 0.11 116.42 120.42 2ahq h ASP 40 Ca -0.06 -0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.23 2ahq h ASP 40 Cb 0.18 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 2ahq h ASP 40 CO 0.04 0.37 -0.00 -0.61 -1.03 0.00 0.00 179.24 178.01 2ahq h GLN 41 N 0.62 -0.00 0.37 4.15 5.75 -1.97 0.53 115.11 124.55 2ahq h GLN 41 Ca 0.23 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.71 2ahq h GLN 41 Cb 0.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.68 2ahq h GLN 41 CO -0.06 0.21 -0.18 1.49 -2.65 0.00 0.00 178.83 177.64 2ahq h GLU 42 N -0.22 -0.48 -0.87 1.69 4.57 -1.67 0.01 114.58 117.61 2ahq h GLU 42 Ca -0.00 0.03 0.22 0.00 -1.18 0.00 0.00 59.36 58.43 2ahq h GLU 42 Cb 0.21 0.11 -0.15 0.00 -0.16 0.00 0.00 28.75 28.76 2ahq h GLU 42 CO 0.00 -0.32 0.05 0.82 -1.18 0.00 0.00 179.01 178.39 2ahq h ILE 43 N -0.56 0.21 -0.71 2.32 5.03 -0.90 1.41 117.51 124.30 2ahq h ILE 43 Ca -0.05 -0.03 0.05 0.00 -0.12 0.00 0.00 64.86 64.71 2ahq h ILE 43 Cb 0.38 0.11 -0.05 0.00 -3.03 0.00 0.00 36.82 34.23 2ahq h ILE 43 CO 0.08 0.02 0.42 0.00 -0.68 0.00 0.00 178.15 177.99 2ahq h ALA 44 N 1.83 0.95 0.00 1.87 0.00 -0.80 0.12 119.26 123.23 2ahq h ALA 44 Ca 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.35 2ahq h ALA 44 Cb 0.99 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2ahq h ALA 44 CO -0.77 0.13 -0.34 -0.91 0.00 0.00 0.00 179.25 177.36 2ahq h ASN 45 N 0.78 0.00 -0.42 0.00 2.35 0.36 -2.33 115.58 116.32 2ahq h ASN 45 Ca 0.31 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.97 2ahq h ASN 45 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2ahq h ASN 45 CO -0.16 0.34 -0.06 0.40 -1.65 0.00 0.00 177.43 176.29 2ahq h ILE 46 N 0.00 1.26 -0.76 2.81 2.04 0.27 -2.25 117.51 120.89 2ahq h ILE 46 Ca -0.00 -1.13 0.11 0.00 1.00 0.00 0.00 64.86 64.83 2ahq h ILE 46 Cb 0.65 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 2ahq h ILE 46 CO 0.04 0.40 0.50 0.17 0.00 0.00 0.00 178.15 179.26 2ahq h LEU 47 N 0.78 0.57 -2.21 1.44 8.10 -0.59 0.48 115.31 123.88 2ahq h LEU 47 Ca 0.14 0.02 0.06 0.00 0.11 0.00 0.00 57.88 58.20 2ahq h LEU 47 Cb 0.56 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.67 2ahq h LEU 47 CO 0.03 0.33 0.21 0.11 -4.11 0.00 0.00 178.44 175.02 2ahq h LYS 48 N 0.63 0.00 -1.34 0.17 1.57 -1.40 2.04 116.57 118.24 2ahq h LYS 48 Ca 0.36 0.00 0.39 0.00 -1.87 0.00 0.00 60.65 59.53 2ahq h LYS 48 Cb 0.53 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 2ahq h LYS 48 CO -0.13 0.00 1.18 0.93 -0.57 0.00 0.00 179.45 180.86 2ahq h GLU 49 N 0.00 0.00 0.00 3.15 4.39 -0.09 -3.35 114.58 118.67 2ahq h GLU 49 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2ahq h GLU 49 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2ahq h GLU 49 CO -0.00 0.00 0.00 1.17 -1.16 0.00 0.00 179.01 179.02 2ahq n LYS 50 N -3.66 0.00 0.00 2.33 0.00 -0.49 -5.07 118.16 111.27 2ahq n LYS 50 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.61 2ahq n LYS 50 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.62 2ahq n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ahq n GLY 51 N -1.05 0.18 2.81 3.14 0.00 0.68 -4.96 105.19 105.99 2ahq n GLY 51 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 2ahq n GLY 51 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ahq n PHE 52 N 0.00 -0.02 -3.82 1.61 3.01 -1.25 -2.80 117.46 114.19 2ahq n PHE 52 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.11 2ahq n PHE 52 Cb 0.00 -2.27 0.02 0.00 -0.01 0.00 0.00 39.48 37.22 2ahq n PHE 52 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2ahq n LYS 53 N 0.06 -0.89 -0.64 -1.08 4.81 -1.26 -4.72 118.16 114.44 2ahq n LYS 53 Ca -0.05 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 2ahq n LYS 53 Cb 0.51 -3.25 0.00 0.00 0.02 0.00 0.00 35.03 32.31 2ahq n LYS 53 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2ahq n VAL 54 N -4.11 0.00 0.00 3.15 0.31 -1.12 -4.92 118.33 111.64 2ahq n VAL 54 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2ahq n VAL 54 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 2ahq n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ahq n ALA 55 N -3.00 0.00 -0.23 3.52 0.00 -1.26 -4.86 120.51 114.68 2ahq n ALA 55 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2ahq n ALA 55 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 2ahq n ALA 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ahq n ARG 56 N -1.05 -0.05 0.22 0.00 1.74 -1.26 0.21 116.66 116.47 2ahq n ARG 56 Ca 0.00 1.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.93 2ahq n ARG 56 Cb 0.00 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 29.77 2ahq n ARG 56 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2ahq h ARG 57 N 0.00 -0.50 -0.46 5.56 9.65 -1.98 0.50 114.38 127.15 2ahq h ARG 57 Ca 0.41 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.32 2ahq h ARG 57 Cb 0.84 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.51 2ahq h ARG 57 CO -0.63 -0.31 0.30 1.15 2.80 0.00 0.00 179.97 183.29 2ahq h THR 58 N -0.56 1.12 -0.44 0.20 2.02 0.21 -1.73 112.91 113.73 2ahq h THR 58 Ca -0.05 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.91 2ahq h THR 58 Cb 0.42 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2ahq h THR 58 CO 0.09 0.12 0.28 0.58 0.37 0.00 0.00 175.52 176.96 2ahq h VAL 59 N 0.62 1.10 -0.81 3.16 2.07 0.92 -0.40 116.25 122.91 2ahq h VAL 59 Ca 0.17 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 67.62 2ahq h VAL 59 Cb -0.07 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.08 2ahq h VAL 59 CO -0.04 0.11 0.40 0.00 0.02 0.00 0.00 177.57 178.06 2ahq h ALA 60 N 1.17 1.18 -0.48 1.67 0.00 0.52 1.04 119.26 124.36 2ahq h ALA 60 Ca 0.16 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2ahq h ALA 60 Cb -0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2ahq h ALA 60 CO -0.04 -0.10 0.14 0.87 0.00 0.00 0.00 179.25 180.12 2ahq h LYS 61 N 0.59 0.75 -0.59 0.00 1.57 -0.44 -2.39 116.57 116.06 2ahq h LYS 61 Ca 0.43 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.97 2ahq h LYS 61 Cb 0.59 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2ahq h LYS 61 CO -0.35 0.72 0.09 1.88 -0.57 0.00 0.00 179.45 181.22 2ahq h TYR 62 N 0.65 1.05 -0.92 -1.35 0.05 0.81 -2.08 116.97 115.17 2ahq h TYR 62 Ca 0.15 -0.15 0.10 0.00 0.05 0.00 0.00 58.73 58.89 2ahq h TYR 62 Cb 0.28 -0.29 -0.08 0.00 1.01 0.00 0.00 36.73 37.66 2ahq h TYR 62 CO 0.02 0.91 0.56 -0.09 -1.05 0.00 0.00 178.16 178.50 2ahq h ARG 63 N 0.88 0.89 -0.18 4.88 2.43 0.13 0.16 114.38 123.56 2ahq h ARG 63 Ca 0.18 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 2ahq h ARG 63 Cb 0.43 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2ahq h ARG 63 CO 0.01 0.59 -0.43 1.49 -1.51 0.00 0.00 179.97 180.12 2ahq h GLU 64 N 0.91 0.44 -0.41 0.20 4.81 -1.13 0.57 114.58 119.97 2ahq h GLU 64 Ca 0.45 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 2ahq h GLU 64 Cb 0.41 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2ahq h GLU 64 CO -0.25 0.79 -0.19 0.52 -0.73 0.00 0.00 179.01 179.15 2ahq h MET 65 N 0.36 0.80 0.00 1.92 2.86 -0.27 -3.33 114.93 117.27 2ahq h MET 65 Ca 0.03 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2ahq h MET 65 Cb 0.90 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2ahq h MET 65 CO 0.08 0.93 -0.10 -0.07 1.06 0.00 0.00 176.91 178.80 2ahq h LEU 66 N 0.70 0.00 -0.35 1.22 3.38 -0.61 -3.51 115.31 116.13 2ahq h LEU 66 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2ahq h LEU 66 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2ahq h LEU 66 CO 0.05 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.53