#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 0.22 1.09 2.02 -1.26 -5.19 117.35 114.17 2ahq s TYR 2 Ca 0.00 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 2ahq s TYR 2 Cb 0.00 0.66 -0.01 0.00 -0.40 0.00 0.00 41.96 42.21 2ahq s TYR 2 CO 0.00 -0.84 0.07 0.45 -1.57 0.00 0.00 175.55 173.66 2ahq n SER 3 N -0.70 1.25 -3.87 2.29 2.88 -1.26 -5.17 113.62 109.04 2ahq n SER 3 Ca -0.05 -2.12 -0.12 0.00 -1.33 0.00 0.00 58.87 55.25 2ahq n SER 3 Cb 0.60 0.50 -0.13 0.00 -0.75 0.00 0.00 64.21 64.43 2ahq n SER 3 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2ahq s LEU 4 N 0.00 1.83 0.00 2.46 0.05 -1.26 -5.16 118.68 116.60 2ahq s LEU 4 Ca 0.10 0.01 -0.02 0.00 0.05 0.00 0.00 54.13 54.26 2ahq s LEU 4 Cb 0.00 0.21 0.08 0.00 -2.05 0.00 0.00 46.19 44.43 2ahq s LEU 4 CO 0.07 -0.08 0.51 -1.14 -0.55 0.00 0.00 176.35 175.15 2ahq n ARG 5 N 2.75 0.04 -2.02 1.48 0.63 -1.26 -5.13 116.66 113.15 2ahq n ARG 5 Ca -0.14 -1.19 -0.02 0.00 -0.92 0.00 0.00 57.85 55.58 2ahq n ARG 5 Cb 0.59 -0.40 -0.01 0.00 0.45 0.00 0.00 32.46 33.09 2ahq n ARG 5 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2ahq n THR 6 N -2.28 0.00 -4.21 5.15 -2.24 -1.26 -5.19 114.28 104.25 2ahq n THR 6 Ca 0.08 -0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 2ahq n THR 6 Cb 0.27 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 2ahq n THR 6 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2ahq n PHE 7 N -0.07 0.14 -0.13 4.78 3.72 -1.26 -5.09 117.46 119.55 2ahq n PHE 7 Ca 0.00 -1.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.13 2ahq n PHE 7 Cb 0.06 -0.03 -0.11 0.00 -0.94 0.00 0.00 39.48 38.47 2ahq n PHE 7 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2ahq n PHE 8 N -0.38 0.29 -2.80 1.38 7.35 -1.26 -5.07 117.46 116.96 2ahq n PHE 8 Ca -0.03 0.12 -0.02 0.00 -0.76 0.00 0.00 57.45 56.75 2ahq n PHE 8 Cb 0.24 -1.03 0.00 0.00 0.35 0.00 0.00 39.48 39.04 2ahq n PHE 8 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2ahq n VAL 9 N -4.22-10.87 0.13 -2.13 0.31 -1.26 -4.99 118.33 95.30 2ahq n VAL 9 Ca -0.48 1.56 0.00 0.00 -0.01 0.00 0.00 64.34 65.41 2ahq n VAL 9 Cb 0.85 -6.58 0.00 0.00 -0.91 0.00 0.00 33.84 27.20 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 0.59 0.00 0.00 5.55 1.74 -1.26 -5.14 116.66 118.15 2ahq n ARG 10 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2ahq n ARG 10 Cb 0.13 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.57 2ahq n ARG 10 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2ahq n GLU 11 N -3.10 0.00 0.00 5.56 0.00 -1.26 -4.91 120.64 116.93 2ahq n GLU 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2ahq n GLU 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2ahq n GLU 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2ahq n SER 12 N -2.81 0.00 0.00 -1.84 2.88 -1.26 -5.13 113.62 105.46 2ahq n SER 12 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2ahq n SER 12 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -1.73 -1.46 0.00 -1.26 -4.99 120.51 108.08 2ahq n ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 -4.63 -1.03 0.00 2.13 -1.26 -4.50 120.64 111.35 2ahq n GLU 14 Ca 0.00 3.43 -0.01 0.00 0.66 0.00 0.00 57.16 61.24 2ahq n GLU 14 Cb 0.00 -3.89 -0.00 0.00 0.27 0.00 0.00 31.44 27.82 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 -0.59 0.12 3.30 8.31 0.00 -1.26 -4.88 105.19 110.19 2ahq n GLY 15 Ca 0.00 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2ahq n GLY 15 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ahq n LEU 16 N -0.11 -2.84 -4.91 0.99 7.94 -1.26 -4.93 117.00 111.87 2ahq n LEU 16 Ca -0.01 0.76 -0.27 0.00 -1.11 0.00 0.00 56.01 55.38 2ahq n LEU 16 Cb 0.48 -0.90 -0.02 0.00 0.53 0.00 0.00 43.42 43.51 2ahq n LEU 16 CO 0.02 -4.29 0.22 0.42 -1.11 0.00 0.00 177.39 172.65 2ahq s THR 17 N -1.78 5.03 0.38 1.96 -4.23 -1.26 -4.96 115.64 110.79 2ahq s THR 17 Ca 0.59 -0.06 0.06 0.00 -1.18 0.00 0.00 61.69 61.10 2ahq s THR 17 Cb -0.58 -3.78 0.22 0.00 1.34 0.00 0.00 72.50 69.71 2ahq s THR 17 CO 0.63 -0.43 1.99 0.06 -0.54 0.00 0.00 174.62 176.33 2ahq h GLN 18 N 1.31 0.53 -0.08 3.99 3.07 -2.00 0.19 115.11 122.13 2ahq h GLN 18 Ca -0.48 -0.06 -0.22 0.00 0.09 0.00 0.00 58.65 57.98 2ahq h GLN 18 Cb 1.20 -0.10 0.01 0.00 0.08 0.00 0.00 27.48 28.67 2ahq h GLN 18 CO 0.65 0.43 -0.82 0.78 0.09 0.00 0.00 178.83 179.96 2ahq h GLY 19 N 0.67 0.77 0.97 0.06 0.00 -2.00 -3.05 103.07 100.49 2ahq h GLY 19 Ca 0.13 -1.20 -0.03 0.00 0.00 0.00 0.00 47.33 46.23 2ahq h GLY 19 CO -0.02 1.06 0.19 0.83 0.00 0.00 0.00 176.54 178.60 2ahq h GLU 20 N 0.37 0.78 -0.77 4.80 4.39 -1.83 -2.48 114.58 119.85 2ahq h GLU 20 Ca -0.08 -0.15 0.10 0.00 0.34 0.00 0.00 59.36 59.57 2ahq h GLU 20 Cb 1.47 -0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.92 2ahq h GLU 20 CO 0.17 0.70 0.40 -0.07 -1.16 0.00 0.00 179.01 179.05 2ahq h LEU 21 N 0.69 0.53 0.61 1.33 -0.00 -1.01 0.56 115.31 118.01 2ahq h LEU 21 Ca 0.17 0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 58.09 2ahq h LEU 21 Cb 0.23 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 2ahq h LEU 21 CO -0.01 0.29 -0.46 0.24 -0.00 0.00 0.00 178.44 178.49 2ahq h MET 22 N 0.65 -0.99 -0.01 1.13 2.86 -1.34 0.12 114.93 117.35 2ahq h MET 22 Ca 0.39 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 2ahq h MET 22 Cb 0.43 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 2ahq h MET 22 CO -0.28 -0.66 0.01 0.87 1.06 0.00 0.00 176.91 177.90 2ahq h LYS 23 N -1.03 0.00 -0.31 1.72 1.57 -1.10 0.07 116.57 117.50 2ahq h LYS 23 Ca -0.08 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2ahq h LYS 23 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2ahq h LYS 23 CO 0.02 0.00 0.01 1.25 -0.57 0.00 0.00 179.45 180.17 2ahq h LEU 24 N 0.00 0.53 -0.23 2.94 6.46 0.11 0.90 115.31 126.01 2ahq h LEU 24 Ca 0.00 -0.30 -0.07 0.00 -0.12 0.00 0.00 57.88 57.40 2ahq h LEU 24 Cb 0.02 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2ahq h LEU 24 CO -0.00 0.69 -0.12 0.40 -0.62 0.00 0.00 178.44 178.79 2ahq h ILE 25 N 0.34 1.30 -0.71 4.05 2.04 0.70 -2.66 117.51 122.58 2ahq h ILE 25 Ca 0.09 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 2ahq h ILE 25 Cb 0.41 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 2ahq h ILE 25 CO 0.01 0.37 0.24 0.50 0.00 0.00 0.00 178.15 179.27 2ahq h LYS 26 N 0.20 1.07 -0.90 2.37 3.11 -0.94 -2.10 116.57 119.38 2ahq h LYS 26 Ca 0.05 -0.21 0.11 0.00 -2.81 0.00 0.00 60.65 57.79 2ahq h LYS 26 Cb 0.63 -0.17 -0.07 0.00 -1.00 0.00 0.00 32.23 31.62 2ahq h LYS 26 CO 0.04 0.90 0.58 0.93 -2.81 0.00 0.00 179.45 179.09 2ahq h GLU 27 N 1.04 0.84 -0.02 1.90 5.08 1.00 0.37 114.58 124.78 2ahq h GLU 27 Ca 0.23 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 2ahq h GLU 27 Cb 0.26 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2ahq h GLU 27 CO -0.01 0.56 -0.36 0.82 -1.00 0.00 0.00 179.01 179.01 2ahq h ILE 28 N 0.87 1.27 -0.11 3.13 5.03 -1.03 -0.90 117.51 125.76 2ahq h ILE 28 Ca 0.43 -1.28 0.00 0.00 -0.12 0.00 0.00 64.86 63.89 2ahq h ILE 28 Cb 0.46 1.66 0.00 0.00 -3.03 0.00 0.00 36.82 35.91 2ahq h ILE 28 CO -0.19 0.37 0.00 0.52 -0.68 0.00 0.00 178.15 178.17 2ahq n VAL 29 N -4.10 0.14 0.18 1.67 0.31 0.96 -3.79 118.33 113.69 2ahq n VAL 29 Ca -0.02 -0.33 0.03 0.00 -0.01 0.00 0.00 64.34 64.02 2ahq n VAL 29 Cb 0.41 0.46 0.31 0.00 -0.91 0.00 0.00 33.84 34.11 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 2.40 0.00 -1.24 5.55 4.81 0.84 -3.28 114.58 123.66 2ahq h GLU 30 Ca 0.00 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.82 2ahq h GLU 30 Cb 0.52 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.50 2ahq h GLU 30 CO 0.00 0.44 -1.14 0.27 -0.73 0.00 0.00 179.01 177.85 2ahq n ASN 31 N -3.76 1.73 -3.89 1.04 6.94 -1.25 -5.10 115.26 110.97 2ahq n ASN 31 Ca -0.01 -2.88 0.00 0.00 -0.02 0.00 0.00 54.58 51.67 2ahq n ASN 31 Cb 0.50 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 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 -0.05 1.28 -3.47 -3.83 0.28 -1.24 -5.09 120.64 108.53 2ahq n GLU 32 Ca 0.15 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.05 2ahq n GLU 32 Cb 0.77 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.62 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 -1.89 -0.49 -0.00 -1.84 2.15 0.06 -4.98 116.67 109.68 2ahq s ASP 33 Ca 0.00 -0.02 -0.00 0.00 0.43 0.00 0.00 52.55 52.95 2ahq s ASP 33 Cb 0.00 0.53 -0.00 0.00 -0.30 0.00 0.00 42.92 43.15 2ahq s ASP 33 CO 0.00 -0.87 0.57 0.11 -0.17 0.00 0.00 175.17 174.82 2ahq h LYS 34 N 2.00 -0.02 0.00 4.34 1.79 -1.98 -1.77 116.57 120.93 2ahq h LYS 34 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2ahq h LYS 34 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2ahq h LYS 34 CO 0.35 -0.01 0.00 -2.13 -1.08 0.00 0.00 179.45 176.58 2ahq n ARG 35 N -2.07 0.00 -3.44 3.15 0.63 -1.26 -3.64 116.66 110.04 2ahq n ARG 35 Ca -0.00 0.29 -0.27 0.00 -0.92 0.00 0.00 57.85 56.95 2ahq n ARG 35 Cb 0.01 -1.51 -0.10 0.00 0.45 0.00 0.00 32.46 31.31 2ahq n ARG 35 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2ahq n LYS 36 N -1.51 0.48 0.00 -0.14 3.00 -1.21 -5.12 118.16 113.66 2ahq n LYS 36 Ca 0.03 -3.37 0.00 0.00 -0.00 0.00 0.00 58.31 54.97 2ahq n LYS 36 Cb 0.15 -1.71 0.00 0.00 0.00 0.00 0.00 35.03 33.46 2ahq n LYS 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2ahq n PRO 37 N 2.55 1.06 -2.86 1.64 -0.04 -0.67 -0.76 135.00 135.92 2ahq n PRO 37 Ca 0.28 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2ahq n PRO 37 Cb 0.47 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.24 -1.72 -1.04 0.54 4.01 -1.26 -4.62 117.16 112.83 2ahq n TYR 38 Ca 0.00 -2.66 -0.12 0.00 -0.16 0.00 0.00 57.90 54.96 2ahq n TYR 38 Cb 0.00 0.91 0.09 0.00 -0.31 0.00 0.00 39.34 40.04 2ahq n TYR 38 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2ahq n SER 39 N 0.23 -0.75 -0.10 7.72 2.88 -1.26 -4.43 113.62 117.91 2ahq n SER 39 Ca 0.11 -0.97 0.02 0.00 -1.33 0.00 0.00 58.87 56.70 2ahq n SER 39 Cb 0.71 -0.42 0.34 0.00 -0.75 0.00 0.00 64.21 64.09 2ahq n SER 39 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2ahq h ASP 40 N -1.25 0.65 0.09 -3.46 3.04 -1.98 0.14 116.42 113.66 2ahq h ASP 40 Ca -0.17 -0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 53.60 2ahq h ASP 40 Cb 0.50 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 38.63 2ahq h ASP 40 CO 0.12 0.47 -0.04 -0.61 -2.04 0.00 0.00 179.24 177.14 2ahq h GLN 41 N 0.77 -0.12 0.11 4.15 5.75 -1.96 0.05 115.11 123.86 2ahq h GLN 41 Ca 0.21 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 2ahq h GLN 41 Cb -0.09 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.49 2ahq h GLN 41 CO -0.04 0.14 -0.05 1.49 -2.65 0.00 0.00 178.83 177.72 2ahq h GLU 42 N -0.37 -0.14 -0.95 1.69 4.81 -1.76 -0.06 114.58 117.81 2ahq h GLU 42 Ca -0.01 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.49 2ahq h GLU 42 Cb 0.31 0.03 -0.17 0.00 0.63 0.00 0.00 28.75 29.55 2ahq h GLU 42 CO 0.02 -0.09 0.08 0.82 -0.73 0.00 0.00 179.01 179.11 2ahq h ILE 43 N -0.16 0.10 -0.69 2.32 2.04 -0.86 1.96 117.51 122.22 2ahq h ILE 43 Ca -0.01 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2ahq h ILE 43 Cb 0.11 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.19 2ahq h ILE 43 CO 0.02 0.01 0.40 0.00 0.00 0.00 0.00 178.15 178.59 2ahq h ALA 44 N 1.92 0.93 -0.27 1.87 0.00 -0.89 -0.44 119.26 122.38 2ahq h ALA 44 Ca 0.58 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.38 2ahq h ALA 44 Cb 1.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2ahq h ALA 44 CO -0.84 0.10 -0.32 -0.91 0.00 0.00 0.00 179.25 177.28 2ahq h ASN 45 N 0.75 0.59 -0.68 0.00 2.35 0.47 -2.83 115.58 116.23 2ahq h ASN 45 Ca 0.30 -0.23 0.10 0.00 -0.55 0.00 0.00 56.30 55.92 2ahq h ASN 45 Cb 0.15 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.29 2ahq h ASN 45 CO -0.17 0.87 0.30 0.40 -1.65 0.00 0.00 177.43 177.18 2ahq h ILE 46 N 0.49 0.79 -0.97 2.81 2.04 0.21 0.13 117.51 123.01 2ahq h ILE 46 Ca 0.06 -0.17 0.21 0.00 1.00 0.00 0.00 64.86 65.96 2ahq h ILE 46 Cb 0.79 0.24 -0.11 0.00 -0.74 0.00 0.00 36.82 37.00 2ahq h ILE 46 CO 0.06 0.09 0.56 0.17 0.00 0.00 0.00 178.15 179.03 2ahq h LEU 47 N 0.50 0.65 -2.21 1.44 8.10 -1.07 1.49 115.31 124.22 2ahq h LEU 47 Ca 0.34 0.12 0.05 0.00 0.11 0.00 0.00 57.88 58.50 2ahq h LEU 47 Cb 0.41 0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 2ahq h LEU 47 CO -0.30 0.17 0.18 0.11 -4.11 0.00 0.00 178.44 174.49 2ahq h LYS 48 N 0.63 0.00 0.00 0.17 1.79 -0.79 2.80 116.57 121.16 2ahq h LYS 48 Ca 0.59 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 2ahq h LYS 48 Cb 1.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 2ahq h LYS 48 CO -0.44 0.00 0.00 -0.85 -1.08 0.00 0.00 179.45 177.08 2ahq n GLU 49 N -3.90 0.03 0.00 3.15 -0.00 0.51 -3.59 120.64 116.84 2ahq n GLU 49 Ca 0.01 0.43 0.00 0.00 -0.00 0.00 0.00 57.16 57.60 2ahq n GLU 49 Cb 0.31 -1.59 0.00 0.00 -0.00 0.00 0.00 31.44 30.16 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 -1.66 0.00 0.00 3.44 3.00 0.16 -5.06 118.16 118.05 2ahq n LYS 50 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2ahq n LYS 50 Cb 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 35.03 34.69 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 1.97 1.92 0.92 3.14 0.00 0.89 -5.11 105.19 108.93 2ahq n GLY 51 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.88 -2.13 -2.04 1.61 3.72 -1.16 -4.87 117.46 111.71 2ahq n PHE 52 Ca 0.00 -0.16 -0.38 0.00 -0.05 0.00 0.00 57.45 56.86 2ahq n PHE 52 Cb 0.00 -0.38 0.03 0.00 -0.94 0.00 0.00 39.48 38.19 2ahq n PHE 52 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2ahq n LYS 53 N -2.39 2.94 -3.97 -1.08 4.81 -1.26 -4.97 118.16 112.24 2ahq n LYS 53 Ca 0.03 -3.72 -0.25 0.00 -0.87 0.00 0.00 58.31 53.50 2ahq n LYS 53 Cb 0.15 -2.27 -0.03 0.00 0.02 0.00 0.00 35.03 32.89 2ahq n LYS 53 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2ahq s VAL 54 N -5.14 1.97 -0.29 3.15 1.01 -1.26 -5.01 120.40 114.83 2ahq s VAL 54 Ca 0.51 -1.56 -0.34 0.00 0.00 0.00 0.00 61.98 60.59 2ahq s VAL 54 Cb 0.43 -2.53 0.18 0.00 0.00 0.00 0.00 36.38 34.45 2ahq s VAL 54 CO -0.37 0.00 1.38 0.00 0.00 0.00 0.00 175.10 176.11 2ahq s ALA 55 N -2.68 -2.17 0.23 5.51 0.00 -1.26 -4.94 121.76 116.45 2ahq s ALA 55 Ca 0.36 1.91 0.04 0.00 0.00 0.00 0.00 51.96 54.27 2ahq s ALA 55 Cb -0.00 -0.94 0.61 0.00 0.00 0.00 0.00 23.12 22.79 2ahq s ALA 55 CO 0.21 -0.40 1.11 0.54 0.00 0.00 0.00 175.76 177.22 2ahq n ARG 56 N 0.23 -0.05 0.27 0.00 5.12 -1.26 0.18 116.66 121.14 2ahq n ARG 56 Ca 0.03 1.04 -0.16 0.00 -1.93 0.00 0.00 57.85 56.84 2ahq n ARG 56 Cb 0.57 -1.70 -0.08 0.00 -1.16 0.00 0.00 32.46 30.09 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 -0.60 -0.72 5.56 1.12 -1.97 1.12 114.38 118.88 2ahq h ARG 57 Ca 0.46 0.04 0.01 0.00 -1.11 0.00 0.00 59.98 59.38 2ahq h ARG 57 Cb 1.01 0.14 -0.04 0.00 -0.01 0.00 0.00 29.97 31.07 2ahq h ARG 57 CO -0.64 -0.38 0.48 1.15 -3.11 0.00 0.00 179.97 177.46 2ahq h THR 58 N -0.66 1.19 -0.26 0.20 2.02 0.16 -0.09 112.91 115.47 2ahq h THR 58 Ca -0.06 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 2ahq h THR 58 Cb 0.50 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2ahq h THR 58 CO 0.11 0.18 0.05 0.58 0.37 0.00 0.00 175.52 176.81 2ahq h VAL 59 N 0.98 1.22 -0.79 3.16 2.07 0.82 -0.20 116.25 123.51 2ahq h VAL 59 Ca 0.26 -0.73 0.10 0.00 0.82 0.00 0.00 66.70 67.15 2ahq h VAL 59 Cb -0.11 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 2ahq h VAL 59 CO -0.06 0.23 0.43 0.00 0.02 0.00 0.00 177.57 178.20 2ahq h ALA 60 N 0.87 1.12 -0.39 1.67 0.00 0.18 1.45 119.26 124.17 2ahq h ALA 60 Ca 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2ahq h ALA 60 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2ahq h ALA 60 CO 0.00 0.03 0.12 -0.22 0.00 0.00 0.00 179.25 179.18 2ahq h LYS 61 N 0.71 0.61 -0.57 0.00 3.64 -0.68 -2.87 116.57 117.41 2ahq h LYS 61 Ca 0.39 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 2ahq h LYS 61 Cb 0.40 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2ahq h LYS 61 CO -0.27 0.62 -0.06 1.88 -2.27 0.00 0.00 179.45 179.35 2ahq h TYR 62 N 0.48 1.15 -0.98 1.91 -1.99 0.60 -2.90 116.97 115.23 2ahq h TYR 62 Ca 0.13 -0.22 0.33 0.00 2.00 0.00 0.00 58.73 60.97 2ahq h TYR 62 Cb 0.26 -0.29 -0.16 0.00 2.00 0.00 0.00 36.73 38.55 2ahq h TYR 62 CO 0.01 1.04 0.48 -0.09 -0.00 0.00 0.00 178.16 179.60 2ahq h ARG 63 N 0.92 0.20 -0.28 4.88 2.43 0.22 1.61 114.38 124.36 2ahq h ARG 63 Ca 0.15 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 2ahq h ARG 63 Cb 0.62 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2ahq h ARG 63 CO 0.04 0.14 -0.40 1.49 -1.51 0.00 0.00 179.97 179.73 2ahq h GLU 64 N 0.21 0.67 -0.43 0.20 4.81 -1.48 0.86 114.58 119.42 2ahq h GLU 64 Ca 0.73 -0.34 -0.11 0.00 -0.13 0.00 0.00 59.36 59.50 2ahq h GLU 64 Cb 1.71 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.08 2ahq h GLU 64 CO -0.67 0.95 -0.19 0.52 -0.73 0.00 0.00 179.01 178.89 2ahq h MET 65 N 0.55 0.84 0.00 1.92 2.86 0.21 -3.33 114.93 117.98 2ahq h MET 65 Ca 0.05 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2ahq h MET 65 Cb 0.92 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.54 2ahq h MET 65 CO 0.08 0.96 -0.09 -0.07 1.06 0.00 0.00 176.91 178.85 2ahq h LEU 66 N 0.73 0.00 -1.27 1.22 -0.00 -0.17 -3.52 115.31 112.31 2ahq h LEU 66 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2ahq h LEU 66 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 2ahq h LEU 66 CO 0.05 0.34 0.00 0.61 -0.00 0.00 0.00 178.44 179.44