#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 -0.30 0.30 -1.42 2.02 -1.26 -5.19 117.35 111.50 2ahq s TYR 2 Ca 0.00 0.40 0.05 0.00 -0.37 0.00 0.00 57.07 57.15 2ahq s TYR 2 Cb 0.00 0.49 -0.03 0.00 -0.40 0.00 0.00 41.96 42.01 2ahq s TYR 2 CO 0.00 -0.35 0.25 -1.12 -1.57 0.00 0.00 175.55 172.76 2ahq s SER 3 N -1.61 1.31 0.39 2.29 0.01 -1.26 -5.18 113.70 109.65 2ahq s SER 3 Ca 0.02 -1.67 -0.14 0.00 1.31 0.00 0.00 55.95 55.48 2ahq s SER 3 Cb -0.01 0.52 0.05 0.00 0.21 0.00 0.00 66.02 66.79 2ahq s SER 3 CO -0.03 -1.02 0.75 -1.48 0.41 0.00 0.00 173.24 171.88 2ahq s LEU 4 N -3.32 0.15 0.00 2.44 0.05 -1.26 -5.19 118.68 111.55 2ahq s LEU 4 Ca 0.40 -1.22 -0.16 0.00 0.05 0.00 0.00 54.13 53.20 2ahq s LEU 4 Cb 0.03 2.68 0.06 0.00 -2.05 0.00 0.00 46.19 46.91 2ahq s LEU 4 CO 0.24 -1.66 0.78 -2.11 -0.55 0.00 0.00 176.35 173.05 2ahq n ARG 5 N -0.54 0.57 -3.42 1.48 1.85 -1.26 -5.19 116.66 110.15 2ahq n ARG 5 Ca -0.07 -1.25 -0.12 0.00 -1.00 0.00 0.00 57.85 55.41 2ahq n ARG 5 Cb 0.60 1.66 -0.03 0.00 -1.05 0.00 0.00 32.46 33.65 2ahq n ARG 5 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2ahq n THR 6 N -0.55 0.00 -3.41 8.89 -2.24 -1.26 -5.16 114.28 110.55 2ahq n THR 6 Ca -0.02 -1.42 -0.08 0.00 -2.27 0.00 0.00 64.05 60.26 2ahq n THR 6 Cb 0.46 0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 69.44 2ahq n THR 6 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2ahq s PHE 7 N -3.36 -0.87 0.00 4.78 2.19 -1.26 -5.14 117.98 114.31 2ahq s PHE 7 Ca 0.23 1.07 0.00 0.00 0.33 0.00 0.00 56.93 58.56 2ahq s PHE 7 Cb -0.00 0.13 0.00 0.00 -1.31 0.00 0.00 43.02 41.83 2ahq s PHE 7 CO 0.17 -0.67 0.00 0.34 1.83 0.00 0.00 175.22 176.89 2ahq n PHE 8 N 5.38 0.00 0.00 10.12 7.35 -1.26 -5.15 117.46 133.89 2ahq n PHE 8 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 2ahq n PHE 8 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 2ahq n PHE 8 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 2ahq n VAL 9 N -0.08 0.00 0.00 -2.13 3.14 -1.26 -5.15 118.33 112.85 2ahq n VAL 9 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2ahq n VAL 9 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2ahq n VAL 9 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2ahq n ARG 10 N 0.00 0.00 -3.73 1.45 0.63 -1.26 -5.18 116.66 108.57 2ahq n ARG 10 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 2ahq n ARG 10 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2ahq n ARG 10 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2ahq s GLU 11 N 0.00 0.91 0.00 -0.14 -1.05 -1.26 -5.17 118.70 111.99 2ahq s GLU 11 Ca 0.00 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.16 2ahq s GLU 11 Cb 0.00 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 2ahq s GLU 11 CO 0.00 -0.32 0.00 0.45 0.95 0.00 0.00 175.26 176.34 2ahq n SER 12 N 0.18 0.00 0.00 0.83 2.88 -1.26 -5.13 113.62 111.11 2ahq n SER 12 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2ahq n SER 12 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 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 -3.00 0.00 -3.14 -1.46 0.00 -1.26 -4.68 120.51 106.97 2ahq n ALA 13 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2ahq n ALA 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.79 0.00 0.00 2.13 -1.26 -3.30 120.64 117.42 2ahq n GLU 14 Ca 0.00 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.20 2ahq n GLU 14 Cb 0.00 -1.11 0.00 0.00 0.27 0.00 0.00 31.44 30.60 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 -1.05 0.44 3.22 8.31 0.00 -1.26 -5.13 105.19 109.71 2ahq n GLY 15 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 2ahq n GLY 15 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ahq n LEU 16 N 0.00 -1.72 -4.89 0.99 -0.00 -1.21 -4.97 117.00 105.21 2ahq n LEU 16 Ca 0.00 -0.33 -0.29 0.00 -0.00 0.00 0.00 56.01 55.39 2ahq n LEU 16 Cb 0.00 -0.95 -0.02 0.00 -0.00 0.00 0.00 43.42 42.45 2ahq n LEU 16 CO 0.00 -3.40 0.43 0.42 -0.00 0.00 0.00 177.39 174.84 2ahq s THR 17 N -2.19 4.84 0.47 1.47 -4.23 -1.26 -4.95 115.64 109.79 2ahq s THR 17 Ca 0.54 0.44 0.12 0.00 -1.18 0.00 0.00 61.69 61.61 2ahq s THR 17 Cb -0.12 -3.78 0.28 0.00 1.34 0.00 0.00 72.50 70.22 2ahq s THR 17 CO 0.56 -0.63 2.09 0.06 -0.54 0.00 0.00 174.62 176.16 2ahq h GLN 18 N 0.90 0.26 -0.28 3.99 3.07 -1.99 -1.00 115.11 120.06 2ahq h GLN 18 Ca -0.47 -0.02 -0.18 0.00 0.09 0.00 0.00 58.65 58.08 2ahq h GLN 18 Cb 1.19 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.69 2ahq h GLN 18 CO 0.63 0.17 -0.52 0.78 0.09 0.00 0.00 178.83 179.98 2ahq h GLY 19 N 0.27 0.87 1.34 0.06 0.00 -2.00 -2.33 103.07 101.28 2ahq h GLY 19 Ca 0.10 -1.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.33 2ahq h GLY 19 CO -0.02 0.90 -0.13 0.83 0.00 0.00 0.00 176.54 178.12 2ahq h GLU 20 N 0.62 0.78 -0.66 4.80 4.39 -1.64 -2.67 114.58 120.19 2ahq h GLU 20 Ca 0.02 -0.27 -0.08 0.00 0.34 0.00 0.00 59.36 59.37 2ahq h GLU 20 Cb 1.11 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 2ahq h GLU 20 CO 0.11 0.87 0.11 1.25 -1.16 0.00 0.00 179.01 180.20 2ahq h LEU 21 N 0.70 1.05 -0.09 1.33 7.12 -1.15 -1.82 115.31 122.45 2ahq h LEU 21 Ca 0.12 -0.25 0.04 0.00 0.13 0.00 0.00 57.88 57.92 2ahq h LEU 21 Cb 0.62 -0.28 -0.06 0.00 -0.53 0.00 0.00 40.66 40.41 2ahq h LEU 21 CO 0.04 1.03 -0.35 0.24 -0.13 0.00 0.00 178.44 179.28 2ahq h MET 22 N 1.02 -0.43 -0.05 1.25 2.86 -1.07 0.62 114.93 119.13 2ahq h MET 22 Ca 0.20 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 2ahq h MET 22 Cb 0.43 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2ahq h MET 22 CO 0.01 -0.29 -0.10 -0.22 1.06 0.00 0.00 176.91 177.37 2ahq h LYS 23 N -0.45 0.07 -0.40 1.72 3.64 -1.42 0.22 116.57 119.95 2ahq h LYS 23 Ca 0.08 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2ahq h LYS 23 Cb 0.58 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2ahq h LYS 23 CO -0.34 0.18 -0.00 -0.07 -2.27 0.00 0.00 179.45 176.95 2ahq h LEU 24 N 0.07 0.69 -0.30 5.20 3.38 0.02 0.54 115.31 124.91 2ahq h LEU 24 Ca 0.02 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2ahq h LEU 24 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2ahq h LEU 24 CO 0.01 0.83 -0.01 0.40 0.09 0.00 0.00 178.44 179.76 2ahq h ILE 25 N 0.53 1.26 -0.74 1.22 2.04 0.10 -1.06 117.51 120.87 2ahq h ILE 25 Ca 0.11 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 2ahq h ILE 25 Cb 0.48 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 2ahq h ILE 25 CO 0.02 0.31 0.29 0.50 0.00 0.00 0.00 178.15 179.27 2ahq h LYS 26 N 0.32 1.10 -0.25 2.37 3.64 -0.84 -1.73 116.57 121.19 2ahq h LYS 26 Ca 0.08 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 2ahq h LYS 26 Cb 0.46 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2ahq h LYS 26 CO 0.02 0.91 0.05 0.93 -2.27 0.00 0.00 179.45 179.08 2ahq h GLU 27 N 1.06 0.36 -0.42 1.90 3.07 0.31 0.73 114.58 121.59 2ahq h GLU 27 Ca 0.24 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.96 2ahq h GLU 27 Cb 0.22 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2ahq h GLU 27 CO -0.02 0.35 -0.12 0.82 -1.40 0.00 0.00 179.01 178.64 2ahq h ILE 28 N 0.36 1.28 -0.36 3.13 2.04 -0.35 -2.29 117.51 121.31 2ahq h ILE 28 Ca 0.09 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 2ahq h ILE 28 Cb 0.16 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2ahq h ILE 28 CO -0.00 0.42 0.01 0.55 0.00 0.00 0.00 178.15 179.12 2ahq n VAL 29 N -4.29 1.72 0.19 1.67 3.14 -0.74 -4.12 118.33 115.90 2ahq n VAL 29 Ca -0.01 -0.87 0.03 0.00 -2.96 0.00 0.00 64.34 60.53 2ahq n VAL 29 Cb 0.38 -0.37 0.37 0.00 -1.06 0.00 0.00 33.84 33.16 2ahq n VAL 29 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2ahq h GLU 30 N 2.44 0.00 -1.63 1.45 4.11 -0.28 -3.29 114.58 117.39 2ahq h GLU 30 Ca 0.01 0.00 -0.43 0.00 0.07 0.00 0.00 59.36 59.00 2ahq h GLU 30 Cb 1.43 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.30 2ahq h GLU 30 CO 0.31 0.37 -1.14 0.27 0.07 0.00 0.00 179.01 178.90 2ahq n ASN 31 N -3.98 0.72 -3.71 3.06 6.94 -1.26 -5.08 115.26 111.95 2ahq n ASN 31 Ca -0.02 -2.98 0.00 0.00 -0.02 0.00 0.00 54.58 51.57 2ahq n ASN 31 Cb 0.42 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 2ahq n ASN 31 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 2ahq n GLU 32 N 0.20 0.31 -3.47 -3.83 0.28 -1.24 -5.03 120.64 107.85 2ahq n GLU 32 Ca 0.20 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.08 2ahq n GLU 32 Cb 0.70 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.55 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 -1.95 -0.53 0.17 -1.84 2.15 -1.25 -4.96 116.67 108.46 2ahq s ASP 33 Ca 0.00 -0.07 0.07 0.00 0.43 0.00 0.00 52.55 52.98 2ahq s ASP 33 Cb 0.00 0.61 -0.03 0.00 -0.30 0.00 0.00 42.92 43.20 2ahq s ASP 33 CO 0.00 -1.00 1.38 0.50 -0.17 0.00 0.00 175.17 175.88 2ahq h LYS 34 N 2.02 0.04 0.04 4.34 3.64 -1.98 -1.05 116.57 123.62 2ahq h LYS 34 Ca -0.33 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2ahq h LYS 34 Cb 1.30 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2ahq h LYS 34 CO 0.37 0.89 -0.02 0.00 -2.27 0.00 0.00 179.45 178.42 2ahq h ARG 35 N 0.02 -0.06 -2.58 1.90 3.08 -2.04 -3.40 114.38 111.30 2ahq h ARG 35 Ca -0.02 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.44 2ahq h ARG 35 Cb 1.55 0.01 -0.40 0.00 0.08 0.00 0.00 29.97 31.21 2ahq h ARG 35 CO 0.12 0.58 -0.80 1.63 -1.07 0.00 0.00 179.97 180.43 2ahq n LYS 36 N -4.75 1.13 -1.77 0.04 5.02 -1.25 -5.11 118.16 111.47 2ahq n LYS 36 Ca -0.08 -3.85 -0.32 0.00 -2.02 0.00 0.00 58.31 52.05 2ahq n LYS 36 Cb 0.32 -1.92 0.03 0.00 -0.02 0.00 0.00 35.03 33.45 2ahq n LYS 36 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2ahq s PRO 37 N -0.95 3.12 -0.25 1.97 0.04 -0.40 -3.80 135.00 134.73 2ahq s PRO 37 Ca 0.31 1.04 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 2ahq s PRO 37 Cb 0.04 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 2ahq s PRO 37 CO -0.16 -0.96 3.03 0.66 0.04 0.00 0.00 177.00 179.62 2ahq n TYR 38 N -2.68 0.90 -0.92 0.56 4.01 -1.26 -4.60 117.16 113.17 2ahq n TYR 38 Ca 0.08 -1.73 -0.29 0.00 -0.16 0.00 0.00 57.90 55.80 2ahq n TYR 38 Cb 0.53 -1.40 0.20 0.00 -0.31 0.00 0.00 39.34 38.36 2ahq n TYR 38 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2ahq s SER 39 N 1.06 2.02 0.46 7.72 0.01 -1.26 -4.05 113.70 119.66 2ahq s SER 39 Ca 0.58 1.36 0.29 0.00 1.31 0.00 0.00 55.95 59.49 2ahq s SER 39 Cb 0.33 -2.07 1.36 0.00 0.21 0.00 0.00 66.02 65.86 2ahq s SER 39 CO -0.11 -3.53 1.74 -2.24 0.41 0.00 0.00 173.24 169.51 2ahq h ASP 40 N -2.16 0.23 -0.11 2.44 2.03 -1.93 1.80 116.42 118.72 2ahq h ASP 40 Ca -0.57 0.06 -0.09 0.00 -0.73 0.00 0.00 57.03 55.71 2ahq h ASP 40 Cb 1.33 0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.84 2ahq h ASP 40 CO 0.54 -0.00 -0.20 -0.61 -1.03 0.00 0.00 179.24 177.94 2ahq h GLN 41 N 0.18 0.51 0.00 4.15 -0.00 -1.94 -1.25 115.11 116.76 2ahq h GLN 41 Ca 0.65 -0.17 0.00 0.00 -0.00 0.00 0.00 58.65 59.13 2ahq h GLN 41 Cb 2.11 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 29.55 2ahq h GLN 41 CO -0.21 0.68 0.00 -1.91 0.00 0.00 0.00 178.83 177.40 2ahq n GLU 42 N -4.15 0.00 -0.34 1.69 0.00 0.59 -2.07 120.64 116.36 2ahq n GLU 42 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 57.16 57.61 2ahq n GLU 42 Cb 0.37 -0.90 0.12 0.00 0.00 0.00 0.00 31.44 31.03 2ahq n GLU 42 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2ahq n ILE 43 N -1.71 -0.41 -0.15 6.31 5.41 0.14 0.23 119.36 129.18 2ahq n ILE 43 Ca 0.00 2.15 -0.06 0.00 1.00 0.00 0.00 62.75 65.84 2ahq n ILE 43 Cb 0.00 -2.96 0.03 0.00 -0.71 0.00 0.00 39.64 36.00 2ahq n ILE 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ahq h ALA 44 N 1.79 0.58 0.00 -1.39 0.00 -1.38 0.76 119.26 119.62 2ahq h ALA 44 Ca 0.43 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2ahq h ALA 44 Cb 0.67 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2ahq h ALA 44 CO -0.96 -0.06 -0.12 -0.91 0.00 0.00 0.00 179.25 177.20 2ahq h ASN 45 N 0.52 0.00 -0.63 0.00 2.35 0.34 -2.25 115.58 115.92 2ahq h ASN 45 Ca 0.19 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.86 2ahq h ASN 45 Cb 0.04 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 2ahq h ASN 45 CO -0.10 0.12 0.09 0.40 -1.65 0.00 0.00 177.43 176.28 2ahq h ILE 46 N 0.00 1.26 -0.79 2.81 2.04 0.49 -2.18 117.51 121.15 2ahq h ILE 46 Ca -0.00 -1.04 0.10 0.00 1.00 0.00 0.00 64.86 64.92 2ahq h ILE 46 Cb 0.48 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 2ahq h ILE 46 CO 0.02 0.39 0.52 0.17 0.00 0.00 0.00 178.15 179.24 2ahq h LEU 47 N 0.99 0.64 -2.44 1.44 8.10 -0.79 0.54 115.31 123.80 2ahq h LEU 47 Ca 0.19 0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.20 2ahq h LEU 47 Cb 0.45 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.55 2ahq h LEU 47 CO 0.01 0.38 0.15 0.50 -4.11 0.00 0.00 178.44 175.38 2ahq h LYS 48 N 0.71 0.00 0.00 0.17 3.64 -1.44 0.15 116.57 119.80 2ahq h LYS 48 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2ahq h LYS 48 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2ahq h LYS 48 CO -0.14 0.00 0.00 -0.85 -2.27 0.00 0.00 179.45 176.19 2ahq n GLU 49 N -2.93 0.03 -3.10 1.90 -0.00 0.19 -4.78 120.64 111.94 2ahq n GLU 49 Ca -0.02 0.27 -0.14 0.00 -0.00 0.00 0.00 57.16 57.27 2ahq n GLU 49 Cb 0.21 -1.50 0.05 0.00 -0.00 0.00 0.00 31.44 30.20 2ahq n GLU 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2ahq n LYS 50 N -1.29 -4.81 0.00 3.44 0.00 0.52 -4.91 118.16 111.10 2ahq n LYS 50 Ca 0.01 0.53 0.00 0.00 0.00 0.00 0.00 58.31 58.85 2ahq n LYS 50 Cb 0.02 -4.66 0.00 0.00 0.00 0.00 0.00 35.03 30.39 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 -1.34 -0.41 3.80 3.14 0.00 -1.23 -5.06 105.19 104.09 2ahq n GLY 51 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 2ahq n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ahq s PHE 52 N -0.10 -0.15 -0.71 1.61 0.08 -1.26 -4.42 117.98 113.02 2ahq s PHE 52 Ca 0.00 -0.22 0.03 0.00 0.12 0.00 0.00 56.93 56.87 2ahq s PHE 52 Cb 0.00 0.67 0.32 0.00 -0.57 0.00 0.00 43.02 43.44 2ahq s PHE 52 CO 0.00 -0.98 1.15 1.17 -0.10 0.00 0.00 175.22 176.46 2ahq n LYS 53 N -0.47 3.72 -1.28 0.44 4.81 -1.26 -4.81 118.16 119.31 2ahq n LYS 53 Ca -0.05 -4.79 -0.05 0.00 -0.87 0.00 0.00 58.31 52.55 2ahq n LYS 53 Cb 0.60 -2.31 0.02 0.00 0.02 0.00 0.00 35.03 33.36 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 -0.01 0.00 -3.65 3.15 0.31 -1.26 -5.06 118.33 111.81 2ahq n VAL 54 Ca 0.34 -0.39 -0.02 0.00 -0.01 0.00 0.00 64.34 64.26 2ahq n VAL 54 Cb 0.36 -1.04 -0.03 0.00 -0.91 0.00 0.00 33.84 32.22 2ahq n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ahq s ALA 55 N -2.42 -2.17 0.29 3.52 0.00 -1.26 -4.95 121.76 114.77 2ahq s ALA 55 Ca 0.14 1.93 0.05 0.00 0.00 0.00 0.00 51.96 54.07 2ahq s ALA 55 Cb -0.01 -1.06 0.79 0.00 0.00 0.00 0.00 23.12 22.84 2ahq s ALA 55 CO 0.09 -0.37 1.42 0.54 0.00 0.00 0.00 175.76 177.44 2ahq n ARG 56 N 0.27 -0.07 0.42 0.00 5.12 -1.26 0.19 116.66 121.33 2ahq n ARG 56 Ca 0.03 1.34 -0.19 0.00 -1.93 0.00 0.00 57.85 57.10 2ahq n ARG 56 Cb 0.58 -2.17 -0.09 0.00 -1.16 0.00 0.00 32.46 29.61 2ahq n ARG 56 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2ahq h ARG 57 N 0.00 -0.99 -0.79 5.56 2.43 -1.98 0.58 114.38 119.18 2ahq h ARG 57 Ca 0.59 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.83 2ahq h ARG 57 Cb 1.30 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 31.04 2ahq h ARG 57 CO -0.82 -0.66 0.51 1.15 -1.51 0.00 0.00 179.97 178.64 2ahq h THR 58 N -1.05 1.21 -0.66 0.20 2.02 -0.33 -0.34 112.91 113.96 2ahq h THR 58 Ca -0.11 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 2ahq h THR 58 Cb 0.80 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2ahq h THR 58 CO 0.17 0.21 0.10 0.58 0.37 0.00 0.00 175.52 176.95 2ahq h VAL 59 N 1.08 1.26 -0.56 3.16 2.07 0.24 0.47 116.25 123.97 2ahq h VAL 59 Ca 0.29 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 2ahq h VAL 59 Cb -0.10 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2ahq h VAL 59 CO -0.06 0.39 0.21 0.00 0.02 0.00 0.00 177.57 178.13 2ahq h ALA 60 N 1.08 0.73 -0.33 1.67 0.00 0.12 1.11 119.26 123.64 2ahq h ALA 60 Ca 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2ahq h ALA 60 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2ahq h ALA 60 CO 0.01 0.36 0.14 -0.22 0.00 0.00 0.00 179.25 179.55 2ahq h LYS 61 N 0.77 0.49 -0.46 0.00 3.64 -0.72 -2.57 116.57 117.73 2ahq h LYS 61 Ca 0.18 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 2ahq h LYS 61 Cb 0.23 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2ahq h LYS 61 CO -0.01 0.48 -0.24 1.88 -2.27 0.00 0.00 179.45 179.29 2ahq h TYR 62 N 0.39 1.13 -0.89 1.91 -1.99 -0.59 -2.69 116.97 114.24 2ahq h TYR 62 Ca 0.11 -0.29 0.19 0.00 2.00 0.00 0.00 58.73 60.74 2ahq h TYR 62 Cb 0.17 -0.26 -0.11 0.00 2.00 0.00 0.00 36.73 38.53 2ahq h TYR 62 CO -0.01 1.11 0.45 -0.09 -0.00 0.00 0.00 178.16 179.62 2ahq h ARG 63 N 0.83 0.53 -0.35 4.88 2.43 0.15 0.51 114.38 123.36 2ahq h ARG 63 Ca 0.10 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 2ahq h ARG 63 Cb 0.82 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2ahq h ARG 63 CO 0.07 0.35 -0.41 1.49 -1.51 0.00 0.00 179.97 179.96 2ahq h GLU 64 N 0.55 0.89 0.00 0.20 4.81 -1.31 1.20 114.58 120.92 2ahq h GLU 64 Ca 0.52 -0.48 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2ahq h GLU 64 Cb 0.87 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 2ahq h GLU 64 CO -0.44 1.13 -0.10 0.52 -0.73 0.00 0.00 179.01 179.39 2ahq h MET 65 N 0.72 0.00 -0.82 1.92 2.86 -0.34 -3.32 114.93 115.96 2ahq h MET 65 Ca 0.05 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.34 2ahq h MET 65 Cb 1.00 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.41 2ahq h MET 65 CO 0.10 0.10 -0.75 1.47 1.06 0.00 0.00 176.91 178.89 2ahq n LEU 66 N -3.32 -1.36 0.00 1.22 -0.00 0.15 -5.08 117.00 108.60 2ahq n LEU 66 Ca -0.01 -4.05 0.00 0.00 -0.00 0.00 0.00 56.01 51.95 2ahq n LEU 66 Cb 0.30 0.80 0.00 0.00 -0.00 0.00 0.00 43.42 44.53 2ahq n LEU 66 CO 0.29 2.10 0.00 0.61 -0.00 0.00 0.00 177.39 180.39