#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqa h LYS 4 N 0.00 0.15 -0.00 -1.09 1.57 -2.06 -3.14 116.57 112.00 3hqa h LYS 4 Ca 0.00 -0.25 -0.17 0.00 -1.87 0.00 0.00 60.65 58.36 3hqa h LYS 4 Cb 0.00 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3hqa h LYS 4 CO 0.00 1.12 -0.77 -0.22 -0.57 0.00 0.00 179.45 179.01 3hqa h LYS 5 N -0.51 0.06 -0.66 3.15 3.64 -2.06 -3.11 116.57 117.09 3hqa h LYS 5 Ca -0.34 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.03 3hqa h LYS 5 Cb 1.62 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.41 3hqa h LYS 5 CO -0.04 0.80 0.38 0.82 -2.27 0.00 0.00 179.45 179.14 3hqa h ILE 6 N 0.04 1.00 -0.40 2.00 2.04 -2.01 -1.36 117.51 118.83 3hqa h ILE 6 Ca -0.02 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 3hqa h ILE 6 Cb 1.36 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3hqa h ILE 6 CO 0.11 0.13 0.04 -0.08 0.00 0.00 0.00 178.15 178.34 3hqa h GLU 7 N 0.71 0.61 -0.30 2.37 4.81 -1.49 -0.50 114.58 120.79 3hqa h GLU 7 Ca 0.29 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3hqa h GLU 7 Cb 0.14 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3hqa h GLU 7 CO -0.16 0.61 0.18 1.49 -0.73 0.00 0.00 179.01 180.40 3hqa h GLU 8 N 0.59 0.40 -0.06 1.92 4.81 -1.25 -0.55 114.58 120.43 3hqa h GLU 8 Ca 0.13 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 3hqa h GLU 8 Cb 0.32 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3hqa h GLU 8 CO 0.01 0.28 -0.71 0.82 -0.73 0.00 0.00 179.01 178.67 3hqa h ILE 9 N 0.41 1.40 -0.61 2.32 2.04 -0.11 -2.98 117.51 119.99 3hqa h ILE 9 Ca 0.11 -2.17 -0.03 0.00 1.00 0.00 0.00 64.86 63.78 3hqa h ILE 9 Cb -0.02 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 3hqa h ILE 9 CO -0.02 0.64 0.28 0.00 0.00 0.00 0.00 178.15 179.06 3hqa h ALA 10 N 1.02 0.79 -0.23 1.87 0.00 0.12 -2.20 119.26 120.62 3hqa h ALA 10 Ca -0.03 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3hqa h ALA 10 Cb 1.28 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3hqa h ALA 10 CO 0.12 0.36 -0.10 0.00 0.00 0.00 0.00 179.25 179.63 3hqa h ALA 11 N 1.12 0.09 -0.35 0.00 0.00 -1.09 0.22 119.26 119.25 3hqa h ALA 11 Ca 0.21 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3hqa h ALA 11 Cb 0.14 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hqa h ALA 11 CO -0.02 -0.52 0.23 0.87 0.00 0.00 0.00 179.25 179.81 3hqa h LYS 12 N -0.07 0.41 0.17 0.00 1.57 -1.37 0.44 116.57 117.72 3hqa h LYS 12 Ca 0.12 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3hqa h LYS 12 Cb 0.25 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3hqa h LYS 12 CO -0.28 0.27 -0.08 -0.92 -0.57 0.00 0.00 179.45 177.87 3hqa h TYR 13 N 0.42 -0.21 -0.67 -1.35 3.20 -0.73 -0.84 116.97 116.79 3hqa h TYR 13 Ca 0.14 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.11 3hqa h TYR 13 Cb 0.03 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.29 3hqa h TYR 13 CO -0.00 0.22 0.26 0.87 -1.64 0.00 0.00 178.16 177.87 3hqa h LYS 14 N -0.75 0.43 -0.25 1.82 1.57 -0.12 0.97 116.57 120.23 3hqa h LYS 14 Ca -0.02 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3hqa h LYS 14 Cb 0.52 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3hqa h LYS 14 CO 0.04 0.28 -0.04 1.25 -0.57 0.00 0.00 179.45 180.41 3hqa h HIS 15 N 0.44 0.40 -0.43 -1.35 2.76 -0.14 -2.57 115.15 114.26 3hqa h HIS 15 Ca 0.34 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.40 3hqa h HIS 15 Cb 0.45 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 3hqa h HIS 15 CO -0.16 0.43 -0.03 1.03 -1.30 0.00 0.00 177.93 177.90 3hqa h SER 16 N 0.37 0.78 0.07 3.26 0.87 0.63 -1.06 113.55 118.48 3hqa h SER 16 Ca 0.08 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3hqa h SER 16 Cb 0.31 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3hqa h SER 16 CO 0.01 0.91 -0.07 0.58 -0.53 0.00 0.00 176.83 177.73 3hqa h VAL 17 N 0.62 0.84 -0.89 2.23 2.07 -0.91 -0.43 116.25 119.77 3hqa h VAL 17 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.69 3hqa h VAL 17 Cb 0.53 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3hqa h VAL 17 CO 0.03 0.00 0.57 0.58 0.02 0.00 0.00 177.57 178.76 3hqa h VAL 18 N -0.16 1.08 -0.23 2.57 2.07 -1.35 -1.57 116.25 118.65 3hqa h VAL 18 Ca 0.00 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3hqa h VAL 18 Cb 0.16 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 3hqa h VAL 18 CO -0.02 0.19 0.13 0.50 0.02 0.00 0.00 177.57 178.39 3hqa h LYS 19 N 1.05 0.33 -0.73 1.57 3.64 -0.79 -2.01 116.57 119.61 3hqa h LYS 19 Ca 0.38 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 3hqa h LYS 19 Cb 0.13 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3hqa h LYS 19 CO -0.16 0.29 0.38 0.87 -2.27 0.00 0.00 179.45 178.57 3hqa h LYS 20 N 0.27 1.03 -0.23 1.90 1.79 -0.51 -1.68 116.57 119.14 3hqa h LYS 20 Ca 0.08 -0.13 -0.17 0.00 -2.18 0.00 0.00 60.65 58.24 3hqa h LYS 20 Cb 0.06 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 3hqa h LYS 20 CO -0.01 0.79 -0.54 0.00 -1.08 0.00 0.00 179.45 178.61 3hqa h TYR 23 N -0.46 0.09 -0.54 0.00 5.03 -1.22 -0.06 116.97 119.81 3hqa h TYR 23 Ca -0.03 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 3hqa h TYR 23 Cb 0.39 0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.71 3hqa h TYR 23 CO -0.10 -0.12 0.26 -0.44 -1.32 0.00 0.00 178.16 176.44 3hqa h ASP 24 N 0.18 0.70 -0.59 -2.11 3.32 -0.77 -2.19 116.42 114.97 3hqa h ASP 24 Ca 0.35 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3hqa h ASP 24 Cb 0.57 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3hqa h ASP 24 CO -0.50 0.63 0.32 1.23 -1.72 0.00 0.00 179.24 179.20 3hqa h GLY 25 N 0.72 0.90 2.00 2.75 0.00 -0.48 -2.85 103.07 106.11 3hqa h GLY 25 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3hqa h GLY 25 CO -0.02 0.38 0.00 0.00 0.00 0.00 0.00 176.54 176.90 3hqa h ALA 26 N 1.51 1.00 -2.57 3.60 0.00 -0.45 -3.32 119.26 119.02 3hqa h ALA 26 Ca 0.22 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.60 3hqa h ALA 26 Cb 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hqa h ALA 26 CO -0.03 0.00 0.42 0.00 0.00 0.00 0.00 179.25 179.63 3hqa n VAL 28 N 2.91 4.54 -2.74 0.00 0.31 -1.26 -5.00 118.33 117.09 3hqa n VAL 28 Ca 0.04 -0.47 -0.05 0.00 -0.01 0.00 0.00 64.34 63.85 3hqa n VAL 28 Cb 0.48 -1.42 0.02 0.00 -0.91 0.00 0.00 33.84 32.02 3hqa n VAL 28 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3hqa n ASN 29 N -1.88 -2.91 0.27 4.52 2.85 -1.26 -5.01 115.26 111.83 3hqa n ASN 29 Ca 0.15 -2.57 0.16 0.00 -0.11 0.00 0.00 54.58 52.22 3hqa n ASN 29 Cb 0.48 1.54 0.91 0.00 1.24 0.00 0.00 39.78 43.95 3hqa n ASN 29 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 3hqa h ASN 30 N 4.61 0.00 -0.91 1.20 2.35 -2.02 0.24 115.58 121.06 3hqa h ASN 30 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 3hqa h ASN 30 Cb 1.11 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.42 3hqa h ASN 30 CO 0.03 0.00 0.59 0.44 -1.65 0.00 0.00 177.43 176.83 3hqa h ASP 31 N 0.00 0.86 -4.35 5.81 3.32 -2.03 -3.44 116.42 116.59 3hqa h ASP 31 Ca 0.03 0.02 -0.47 0.00 0.02 0.00 0.00 57.03 56.62 3hqa h ASP 31 Cb 0.19 -0.16 -0.23 0.00 0.22 0.00 0.00 39.33 39.35 3hqa h ASP 31 CO -0.00 0.53 -0.80 -1.61 -1.72 0.00 0.00 179.24 175.64 3hqa s GLU 32 N -5.87 0.98 0.70 3.56 2.02 0.07 -5.14 118.70 115.02 3hqa s GLU 32 Ca -0.11 -0.96 -0.11 0.00 0.02 0.00 0.00 54.97 53.81 3hqa s GLU 32 Cb 0.20 -1.06 0.01 0.00 0.10 0.00 0.00 34.13 33.38 3hqa s GLU 32 CO 0.80 0.25 1.06 0.95 0.02 0.00 0.00 175.26 178.34 3hqa s THR 33 N -1.10 3.99 0.13 3.63 -4.23 -1.26 -4.78 115.64 112.02 3hqa s THR 33 Ca 0.02 0.64 -0.19 0.00 -1.18 0.00 0.00 61.69 60.99 3hqa s THR 33 Cb -0.09 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.25 3hqa s THR 33 CO 0.02 -0.84 1.75 0.00 -0.54 0.00 0.00 174.62 175.01 3hqa h GLU 35 N 0.20 0.66 -0.19 0.00 4.81 -1.98 -0.20 114.58 117.88 3hqa h GLU 35 Ca 0.11 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 3hqa h GLU 35 Cb 0.07 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 3hqa h GLU 35 CO -0.11 0.44 -0.20 1.96 -0.73 0.00 0.00 179.01 180.37 3hqa h GLN 36 N 0.68 0.47 -0.49 1.92 4.20 -1.77 -2.64 115.11 117.49 3hqa h GLN 36 Ca 0.47 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 3hqa h GLN 36 Cb 0.63 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3hqa h GLN 36 CO -0.34 0.83 0.11 0.00 -0.67 0.00 0.00 178.83 178.76 3hqa h ARG 37 N 0.14 0.78 -0.47 1.46 3.08 -0.90 -3.06 114.38 115.42 3hqa h ARG 37 Ca 0.03 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3hqa h ARG 37 Cb 0.75 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3hqa h ARG 37 CO 0.05 0.77 0.18 0.00 -1.07 0.00 0.00 179.97 179.89 3hqa h ALA 38 N 0.98 1.43 -0.89 0.04 0.00 -1.06 -2.35 119.26 117.41 3hqa h ALA 38 Ca 0.15 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.08 3hqa h ALA 38 Cb 0.34 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 3hqa h ALA 38 CO 0.00 0.43 0.58 0.00 0.00 0.00 0.00 179.25 180.26 3hqa h ALA 39 N 1.53 1.90 0.00 0.00 0.00 -1.35 -1.50 119.26 119.83 3hqa h ALA 39 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hqa h ALA 39 Cb 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hqa h ALA 39 CO -0.01 -0.16 0.00 0.54 0.00 0.00 0.00 179.25 179.62 3hqa n ARG 40 N -4.56 0.23 -1.81 0.00 1.74 -0.89 -4.86 116.66 106.51 3hqa n ARG 40 Ca 0.18 0.23 -0.42 0.00 -0.77 0.00 0.00 57.85 57.07 3hqa n ARG 40 Cb 0.52 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3hqa n ARG 40 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hqa s ILE 41 N -3.12 2.25 -0.85 0.55 1.01 -0.57 -4.89 121.20 115.57 3hqa s ILE 41 Ca 0.10 0.18 0.08 0.00 0.00 0.00 0.00 60.65 61.02 3hqa s ILE 41 Cb 0.12 -3.12 0.17 0.00 0.01 0.00 0.00 42.46 39.65 3hqa s ILE 41 CO 0.56 0.02 1.03 -1.54 0.00 0.00 0.00 174.94 175.01 3hqa n SER 42 N 3.62 2.32 -3.37 3.58 3.41 -1.26 -4.98 113.62 116.94 3hqa n SER 42 Ca 0.14 -1.75 -0.18 0.00 -0.26 0.00 0.00 58.87 56.82 3hqa n SER 42 Cb 0.37 -0.11 0.12 0.00 -0.26 0.00 0.00 64.21 64.33 3hqa n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hqa n LEU 43 N 0.36 0.00 -4.81 1.04 4.77 -1.26 -5.08 117.00 112.02 3hqa n LEU 43 Ca 0.07 -1.08 -0.30 0.00 -0.03 0.00 0.00 56.01 54.68 3hqa n LEU 43 Cb 0.32 -0.61 0.18 0.00 -2.33 0.00 0.00 43.42 40.98 3hqa n LEU 43 CO 0.06 -1.05 0.77 -0.83 -1.33 0.00 0.00 177.39 175.01 3hqa s GLY 44 N -4.72 1.67 0.28 -0.72 0.00 -1.26 -4.77 107.32 97.80 3hqa s GLY 44 Ca 0.48 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 44.29 3hqa s GLY 44 CO 0.33 -0.21 1.82 -2.55 0.00 0.00 0.00 173.10 172.49 3hqa h PRO 45 N -1.78 0.90 0.15 2.90 0.11 -1.97 -1.57 132.00 130.74 3hqa h PRO 45 Ca -0.46 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.61 3hqa h PRO 45 Cb 1.28 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3hqa h PRO 45 CO 0.45 0.60 -0.37 -0.09 -0.21 0.00 0.00 178.00 178.38 3hqa h ARG 46 N 0.93 -0.61 -0.41 1.05 2.43 -1.99 0.76 114.38 116.54 3hqa h ARG 46 Ca 0.51 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.76 3hqa h ARG 46 Cb 0.57 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 3hqa h ARG 46 CO -0.29 -0.40 0.17 0.00 -1.51 0.00 0.00 179.97 177.94 3hqa h ILE 48 N 0.35 0.88 -0.37 0.00 2.04 -0.59 0.35 117.51 120.17 3hqa h ILE 48 Ca 0.18 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 3hqa h ILE 48 Cb 0.14 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3hqa h ILE 48 CO -0.16 0.03 0.13 0.11 0.00 0.00 0.00 178.15 178.26 3hqa h LYS 49 N 0.16 0.57 -0.45 2.37 1.57 0.58 -1.34 116.57 120.03 3hqa h LYS 49 Ca 0.12 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3hqa h LYS 49 Cb 0.12 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3hqa h LYS 49 CO -0.16 0.57 0.06 0.00 -0.57 0.00 0.00 179.45 179.35 3hqa h ALA 50 N 0.98 0.59 -0.69 3.86 0.00 -1.24 0.28 119.26 123.04 3hqa h ALA 50 Ca 0.12 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hqa h ALA 50 Cb 0.22 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3hqa h ALA 50 CO -0.01 0.33 0.42 0.35 0.00 0.00 0.00 179.25 180.34 3hqa h PHE 51 N 0.61 0.79 0.06 0.00 3.57 -0.86 -2.10 116.94 119.00 3hqa h PHE 51 Ca 0.13 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3hqa h PHE 51 Cb 0.40 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3hqa h PHE 51 CO 0.03 0.43 -0.03 1.15 -2.23 0.00 0.00 178.31 177.66 3hqa h THR 52 N 0.81 1.24 -0.64 4.41 2.02 -0.82 -0.71 112.91 119.23 3hqa h THR 52 Ca 0.28 -1.17 0.09 0.00 0.77 0.00 0.00 66.41 66.39 3hqa h THR 52 Cb 0.06 1.98 -0.07 0.00 -1.74 0.00 0.00 68.15 68.38 3hqa h THR 52 CO -0.12 0.28 0.27 -0.33 0.37 0.00 0.00 175.52 175.99 3hqa h GLU 53 N -0.62 0.46 -0.15 6.66 5.08 -0.95 -1.48 114.58 123.57 3hqa h GLU 53 Ca -0.01 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 3hqa h GLU 53 Cb 0.53 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.69 3hqa h GLU 53 CO 0.01 0.30 -0.66 0.00 -1.00 0.00 0.00 179.01 177.66 3hqa h VAL 56 N 0.42 1.22 -0.47 0.00 2.07 -1.28 -0.81 116.25 117.41 3hqa h VAL 56 Ca 0.14 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 3hqa h VAL 56 Cb -0.00 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3hqa h VAL 56 CO -0.06 0.23 -0.06 0.58 0.02 0.00 0.00 177.57 178.28 3hqa h VAL 57 N 0.19 1.27 -0.48 2.57 2.07 -1.48 -1.68 116.25 118.71 3hqa h VAL 57 Ca 0.07 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3hqa h VAL 57 Cb 0.30 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3hqa h VAL 57 CO 0.00 0.40 0.10 0.00 0.02 0.00 0.00 177.57 178.09 3hqa h ALA 58 N 0.90 1.27 -0.26 1.67 0.00 -1.04 -2.78 119.26 119.02 3hqa h ALA 58 Ca 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3hqa h ALA 58 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hqa h ALA 58 CO 0.04 0.50 0.04 0.77 0.00 0.00 0.00 179.25 180.61 3hqa h SER 59 N 0.71 0.41 -0.33 0.00 0.02 -0.85 -1.61 113.55 111.89 3hqa h SER 59 Ca 0.16 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3hqa h SER 59 Cb 0.29 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3hqa h SER 59 CO 0.00 0.56 0.22 1.56 -1.14 0.00 0.00 176.83 178.04 3hqa h GLN 60 N 0.24 0.35 0.18 3.45 4.20 -1.23 -0.76 115.11 121.54 3hqa h GLN 60 Ca 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3hqa h GLN 60 Cb 0.32 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3hqa h GLN 60 CO 0.00 0.23 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.24 3hqa h LEU 61 N 0.36 -0.20 -1.89 1.46 3.38 -1.26 -1.49 115.31 115.67 3hqa h LEU 61 Ca 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3hqa h LEU 61 Cb 0.09 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hqa h LEU 61 CO -0.03 0.18 -0.10 0.03 0.09 0.00 0.00 178.44 178.61 3hqa h ARG 62 N -0.61 0.00 0.17 1.13 3.08 -1.01 -2.43 114.38 114.72 3hqa h ARG 62 Ca -0.02 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.80 3hqa h ARG 62 Cb 0.45 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.53 3hqa h ARG 62 CO 0.04 0.10 -1.00 0.00 -1.07 0.00 0.00 179.97 178.04 3hqa h ALA 63 N 1.90 -0.10 0.00 0.04 0.00 -1.11 -3.18 119.26 116.80 3hqa h ALA 63 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3hqa h ALA 63 Cb 0.36 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hqa h ALA 63 CO 0.01 0.47 0.01 0.09 0.00 0.00 0.00 179.25 179.83 3hqa n ASN 64 N -4.01 0.58 -1.58 0.00 3.02 -0.57 -1.62 115.26 111.09 3hqa n ASN 64 Ca -0.15 0.77 -0.11 0.00 -0.03 0.00 0.00 54.58 55.06 3hqa n ASN 64 Cb 0.90 -0.84 0.08 0.00 -0.61 0.00 0.00 39.78 39.31 3hqa n ASN 64 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hqa n ILE 65 N -2.29 2.03 -1.23 2.41 5.41 -1.03 -5.09 119.36 119.57 3hqa n ILE 65 Ca -0.01 -0.90 0.00 0.00 1.00 0.00 0.00 62.75 62.84 3hqa n ILE 65 Cb 0.04 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 3hqa n ILE 65 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35