#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgw h ALA 11 N 0.00 1.33 -0.77 1.96 0.00 -2.05 0.50 119.26 120.23 3hgw h ALA 11 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3hgw h ALA 11 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3hgw h ALA 11 CO 0.00 0.47 0.41 -0.44 0.00 0.00 0.00 179.25 179.69 3hgw h ASP 12 N 0.60 0.97 0.13 0.00 3.32 -2.06 -2.51 116.42 116.87 3hgw h ASP 12 Ca 0.13 -0.11 -0.28 0.00 0.02 0.00 0.00 57.03 56.79 3hgw h ASP 12 Cb 0.31 -0.25 0.03 0.00 0.22 0.00 0.00 39.33 39.64 3hgw h ASP 12 CO 0.01 0.80 -1.19 0.40 -1.72 0.00 0.00 179.24 177.53 3hgw h ILE 13 N 1.07 1.31 -0.01 0.35 2.04 -1.76 -2.65 117.51 117.86 3hgw h ILE 13 Ca 0.27 -2.47 -0.04 0.00 1.00 0.00 0.00 64.86 63.62 3hgw h ILE 13 Cb 0.05 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 3hgw h ILE 13 CO -0.04 0.74 -0.17 0.03 0.00 0.00 0.00 178.15 178.71 3hgw h ARG 14 N 0.18 0.02 -0.22 2.37 3.08 -0.10 -1.75 114.38 117.96 3hgw h ARG 14 Ca -0.19 -0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.66 3hgw h ARG 14 Cb 1.89 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.94 3hgw h ARG 14 CO 0.23 0.19 -0.65 1.49 -1.07 0.00 0.00 179.97 180.16 3hgw h GLU 15 N 0.02 0.82 -0.63 0.04 4.57 -1.41 -1.79 114.58 116.20 3hgw h GLU 15 Ca 0.00 -0.58 -0.05 0.00 -1.18 0.00 0.00 59.36 57.55 3hgw h GLU 15 Cb 0.32 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 3hgw h GLU 15 CO 0.02 1.21 0.19 0.00 -1.18 0.00 0.00 179.01 179.24 3hgw h ALA 16 N 0.65 1.14 -0.17 2.92 0.00 -1.19 -1.18 119.26 121.43 3hgw h ALA 16 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3hgw h ALA 16 Cb 1.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3hgw h ALA 16 CO 0.14 0.59 -0.01 0.82 0.00 0.00 0.00 179.25 180.79 3hgw h ILE 17 N 0.93 1.27 -0.77 0.00 2.04 -1.26 -1.24 117.51 118.47 3hgw h ILE 17 Ca 0.21 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 65.22 3hgw h ILE 17 Cb 0.28 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 3hgw h ILE 17 CO -0.01 0.27 0.47 0.44 0.00 0.00 0.00 178.15 179.32 3hgw h ASP 18 N 0.04 0.73 -0.77 1.72 3.32 -1.22 -0.10 116.42 120.14 3hgw h ASP 18 Ca 0.05 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3hgw h ASP 18 Cb 0.41 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3hgw h ASP 18 CO 0.01 0.48 0.31 -0.09 -1.72 0.00 0.00 179.24 178.23 3hgw h ARG 19 N 0.87 1.15 -0.13 3.56 2.43 -1.09 0.81 114.38 121.98 3hgw h ARG 19 Ca 0.33 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3hgw h ARG 19 Cb 0.14 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3hgw h ARG 19 CO -0.16 0.93 -0.01 0.82 -1.51 0.00 0.00 179.97 180.04 3hgw h ILE 20 N 1.12 1.27 -0.92 1.20 2.04 -0.83 -0.62 117.51 120.76 3hgw h ILE 20 Ca 0.26 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3hgw h ILE 20 Cb 0.21 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 3hgw h ILE 20 CO -0.02 0.26 0.60 0.44 0.00 0.00 0.00 178.15 179.42 3hgw h ASP 21 N -0.04 1.06 -0.22 1.72 5.19 -0.92 0.11 116.42 123.33 3hgw h ASP 21 Ca 0.04 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3hgw h ASP 21 Cb 0.40 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3hgw h ASP 21 CO 0.01 0.78 0.09 0.25 -3.12 0.00 0.00 179.24 177.25 3hgw h LEU 22 N 1.25 0.30 -0.79 1.55 5.85 -0.78 -1.25 115.31 121.44 3hgw h LEU 22 Ca 0.33 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 59.07 3hgw h LEU 22 Cb -0.13 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 40.72 3hgw h LEU 22 CO -0.07 0.37 0.30 0.44 -0.34 0.00 0.00 178.44 179.14 3hgw h ASP 23 N 0.21 0.24 -0.34 1.25 3.32 -0.54 0.19 116.42 120.74 3hgw h ASP 23 Ca 0.07 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3hgw h ASP 23 Cb 0.16 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3hgw h ASP 23 CO -0.01 0.05 0.08 0.40 -1.72 0.00 0.00 179.24 178.04 3hgw h ILE 24 N 0.40 1.22 -0.32 0.35 2.04 -0.71 0.66 117.51 121.15 3hgw h ILE 24 Ca 0.45 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3hgw h ILE 24 Cb 0.76 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3hgw h ILE 24 CO -0.46 0.25 0.19 0.58 0.00 0.00 0.00 178.15 178.71 3hgw h VAL 25 N 0.40 1.12 -0.81 1.67 2.07 -0.75 0.00 116.25 119.95 3hgw h VAL 25 Ca 0.11 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3hgw h VAL 25 Cb 0.30 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3hgw h VAL 25 CO 0.00 0.12 0.40 1.56 0.02 0.00 0.00 177.57 179.68 3hgw h GLN 26 N 0.41 1.16 -0.57 1.57 4.20 -0.88 0.09 115.11 121.09 3hgw h GLN 26 Ca 0.11 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3hgw h GLN 26 Cb 0.03 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 3hgw h GLN 26 CO -0.02 0.88 0.32 0.00 -0.67 0.00 0.00 178.83 179.34 3hgw h ALA 27 N 1.29 0.73 -0.51 3.87 0.00 -0.57 -1.69 119.26 122.38 3hgw h ALA 27 Ca 0.28 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3hgw h ALA 27 Cb 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hgw h ALA 27 CO -0.04 0.24 0.10 -0.07 0.00 0.00 0.00 179.25 179.48 3hgw h LEU 28 N 0.77 0.73 -0.00 0.00 3.38 -0.50 -0.42 115.31 119.27 3hgw h LEU 28 Ca 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hgw h LEU 28 Cb 0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hgw h LEU 28 CO -0.03 0.74 0.00 1.23 0.09 0.00 0.00 178.44 180.47 3hgw h GLY 29 N 0.95 0.00 1.01 0.83 0.00 -0.76 -2.08 103.07 103.02 3hgw h GLY 29 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3hgw h GLY 29 CO 0.00 0.00 0.50 3.21 0.00 0.00 0.00 176.54 180.25 3hgw h ARG 30 N -0.05 1.05 -0.67 4.80 3.08 -1.19 -2.42 114.38 118.98 3hgw h ARG 30 Ca 0.00 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.06 3hgw h ARG 30 Cb 0.05 -0.23 -0.07 0.00 0.08 0.00 0.00 29.97 29.80 3hgw h ARG 30 CO -0.00 0.72 0.32 -0.09 -1.07 0.00 0.00 179.97 179.85 3hgw h ARG 31 N 1.07 0.55 -0.52 0.04 2.43 -0.94 -1.48 114.38 115.52 3hgw h ARG 31 Ca 0.28 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 3hgw h ARG 31 Cb -0.09 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 3hgw h ARG 31 CO -0.06 0.36 0.22 1.98 -1.51 0.00 0.00 179.97 180.96 3hgw h MET 32 N 0.56 0.77 -0.74 0.20 4.05 -1.07 -0.33 114.93 118.38 3hgw h MET 32 Ca 0.33 -0.13 0.12 0.00 -0.28 0.00 0.00 59.70 59.74 3hgw h MET 32 Cb 0.34 -0.13 -0.08 0.00 -0.80 0.00 0.00 31.60 30.93 3hgw h MET 32 CO -0.26 0.67 0.33 -0.44 0.23 0.00 0.00 176.91 177.44 3hgw h ASP 33 N 0.70 0.38 -0.30 1.39 3.32 -0.93 0.55 116.42 121.54 3hgw h ASP 33 Ca 0.18 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3hgw h ASP 33 Cb 0.18 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3hgw h ASP 33 CO -0.02 0.19 0.07 1.88 -1.72 0.00 0.00 179.24 179.64 3hgw h TYR 34 N 0.53 0.50 -0.60 4.55 0.05 -0.72 -1.46 116.97 119.81 3hgw h TYR 34 Ca 0.39 -0.06 0.04 0.00 0.05 0.00 0.00 58.73 59.14 3hgw h TYR 34 Cb 0.51 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.06 3hgw h TYR 34 CO -0.13 0.54 0.35 0.28 -1.05 0.00 0.00 178.16 178.15 3hgw h VAL 35 N 0.31 1.02 -0.49 -2.88 2.07 -0.66 -2.20 116.25 113.42 3hgw h VAL 35 Ca 0.09 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 3hgw h VAL 35 Cb 0.30 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3hgw h VAL 35 CO 0.00 0.12 0.08 0.11 0.02 0.00 0.00 177.57 177.90 3hgw h LYS 36 N 0.67 0.77 0.00 1.57 1.57 -0.79 -2.39 116.57 117.97 3hgw h LYS 36 Ca 0.25 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3hgw h LYS 36 Cb 0.09 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3hgw h LYS 36 CO -0.13 0.72 -0.13 0.00 -0.57 0.00 0.00 179.45 179.34 3hgw h ALA 37 N 1.35 1.11 0.00 3.86 0.00 -0.71 -3.03 119.26 121.84 3hgw h ALA 37 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hgw h ALA 37 Cb 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hgw h ALA 37 CO 0.01 0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.38 3hgw h ALA 38 N 1.87 1.04 -0.23 0.00 0.00 -0.86 -3.20 119.26 117.86 3hgw h ALA 38 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hgw h ALA 38 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hgw h ALA 38 CO 0.02 0.05 0.11 0.77 0.00 0.00 0.00 179.25 180.20 3hgw h SER 39 N 0.00 0.28 0.00 0.00 0.02 -1.64 -1.57 113.55 110.64 3hgw h SER 39 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3hgw h SER 39 Cb 0.43 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3hgw h SER 39 CO 0.01 0.24 0.00 -2.11 -1.14 0.00 0.00 176.83 173.83 3hgw n ARG 40 N -4.46 0.55 0.00 3.45 1.85 -1.21 -5.20 116.66 111.64 3hgw n ARG 40 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3hgw n ARG 40 Cb 0.11 -1.28 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 3hgw n ARG 40 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3hgw n PHE 41 N -0.78 0.00 0.00 2.89 3.72 -0.60 -5.22 117.46 117.47 3hgw n PHE 41 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3hgw n PHE 41 Cb 0.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 3hgw n PHE 41 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3hgw n PRO 51 N 0.00 0.00 -0.01 -1.08 -0.04 -1.26 -5.15 135.00 127.46 3hgw n PRO 51 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 3hgw n PRO 51 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 3hgw n PRO 51 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3hgw h GLU 52 N 0.00 0.09 -0.40 0.54 3.07 -2.05 -2.95 114.58 112.88 3hgw h GLU 52 Ca 0.00 -0.15 -0.08 0.00 -0.50 0.00 0.00 59.36 58.63 3hgw h GLU 52 Cb 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3hgw h GLU 52 CO 0.00 0.74 -0.07 -0.09 -1.40 0.00 0.00 179.01 178.19 3hgw h ARG 53 N 0.02 0.75 -0.80 2.33 9.65 -2.05 -1.59 114.38 122.69 3hgw h ARG 53 Ca -0.32 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 3hgw h ARG 53 Cb 2.02 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 30.51 3hgw h ARG 53 CO 0.09 0.87 0.51 0.28 2.80 0.00 0.00 179.97 184.52 3hgw h VAL 54 N 0.56 1.21 -0.42 0.20 2.07 -2.00 0.17 116.25 118.04 3hgw h VAL 54 Ca 0.10 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 3hgw h VAL 54 Cb 0.58 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3hgw h VAL 54 CO 0.03 0.21 -0.07 0.00 0.02 0.00 0.00 177.57 177.77 3hgw h ALA 55 N 1.48 1.10 -0.21 1.67 0.00 -1.35 -2.93 119.26 119.01 3hgw h ALA 55 Ca 0.29 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3hgw h ALA 55 Cb -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hgw h ALA 55 CO -0.06 0.56 -0.61 0.00 0.00 0.00 0.00 179.25 179.14 3hgw h ALA 56 N 1.26 0.51 0.03 0.00 0.00 -0.63 -3.38 119.26 117.04 3hgw h ALA 56 Ca 0.12 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hgw h ALA 56 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hgw h ALA 56 CO 0.03 0.69 -0.01 0.52 0.00 0.00 0.00 179.25 180.47 3hgw h MET 57 N 0.54 -0.04 -0.08 0.00 2.86 -0.80 -3.20 114.93 114.22 3hgw h MET 57 Ca -0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3hgw h MET 57 Cb 1.21 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 3hgw h MET 57 CO 0.13 0.12 -0.02 -0.07 1.06 0.00 0.00 176.91 178.12 3hgw h LEU 58 N -0.19 0.15 -1.42 1.22 3.38 -1.72 -1.54 115.31 115.19 3hgw h LEU 58 Ca -0.00 -0.38 0.11 0.00 0.09 0.00 0.00 57.88 57.69 3hgw h LEU 58 Cb 0.18 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3hgw h LEU 58 CO 0.01 0.50 0.50 -0.65 0.09 0.00 0.00 178.44 178.89 3hgw h PRO 59 N -0.19 0.61 -0.44 1.13 0.11 -1.76 -0.78 132.00 130.67 3hgw h PRO 59 Ca 0.02 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3hgw h PRO 59 Cb 0.43 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3hgw h PRO 59 CO 0.01 0.41 0.20 1.49 -0.21 0.00 0.00 178.00 179.89 3hgw h GLU 60 N 0.63 0.65 -0.18 1.05 4.81 -1.47 -1.95 114.58 118.12 3hgw h GLU 60 Ca 0.36 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 3hgw h GLU 60 Cb 0.53 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3hgw h GLU 60 CO -0.13 0.58 -0.33 0.00 -0.73 0.00 0.00 179.01 178.40 3hgw h ARG 61 N 0.58 0.38 -0.71 1.92 3.08 -0.70 -1.54 114.38 117.37 3hgw h ARG 61 Ca 0.15 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hgw h ARG 61 Cb 0.16 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3hgw h ARG 61 CO -0.02 0.67 0.45 0.00 -1.07 0.00 0.00 179.97 180.01 3hgw h ALA 62 N 1.33 0.91 -0.64 0.04 0.00 -1.03 -1.74 119.26 118.12 3hgw h ALA 62 Ca 0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3hgw h ALA 62 Cb 0.75 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3hgw h ALA 62 CO 0.06 0.35 0.05 -0.09 0.00 0.00 0.00 179.25 179.62 3hgw h ARG 63 N 0.97 1.09 -0.73 0.00 2.43 -0.85 -2.13 114.38 115.16 3hgw h ARG 63 Ca 0.26 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3hgw h ARG 63 Cb -0.07 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 3hgw h ARG 63 CO -0.05 1.03 0.48 -1.49 -1.51 0.00 0.00 179.97 178.43 3hgw h TRP 64 N 1.00 0.91 -0.08 2.20 6.55 -1.11 -1.15 115.95 124.27 3hgw h TRP 64 Ca 0.19 0.02 0.02 0.00 0.95 0.00 0.00 58.89 60.07 3hgw h TRP 64 Cb 0.50 -0.31 -0.02 0.00 -0.86 0.00 0.00 29.16 28.47 3hgw h TRP 64 CO 0.04 0.58 -0.05 0.00 -1.05 0.00 0.00 178.44 177.95 3hgw h ALA 65 N 1.26 0.02 -0.74 1.49 0.00 -1.04 -1.10 119.26 119.16 3hgw h ALA 65 Ca 0.27 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3hgw h ALA 65 Cb -0.11 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hgw h ALA 65 CO -0.06 -0.52 0.38 1.49 0.00 0.00 0.00 179.25 180.55 3hgw h GLU 66 N -0.05 1.05 -0.02 0.00 4.81 -1.20 0.33 114.58 119.50 3hgw h GLU 66 Ca 0.05 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3hgw h GLU 66 Cb 0.13 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 3hgw h GLU 66 CO -0.11 0.80 -0.06 1.49 -0.73 0.00 0.00 179.01 180.40 3hgw h GLU 67 N 1.03 0.02 -0.60 1.92 4.81 -0.93 -1.96 114.58 118.87 3hgw h GLU 67 Ca 0.26 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3hgw h GLU 67 Cb 0.07 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3hgw h GLU 67 CO -0.04 0.08 0.00 0.09 -0.73 0.00 0.00 179.01 178.42 3hgw n ASN 68 N -4.46 5.06 -1.11 1.04 4.13 -0.44 -4.94 115.26 114.54 3hgw n ASN 68 Ca -0.03 -2.64 -0.11 0.00 1.68 0.00 0.00 54.58 53.48 3hgw n ASN 68 Cb 0.15 -0.61 -0.02 0.00 -1.54 0.00 0.00 39.78 37.75 3hgw n ASN 68 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hgw n GLY 69 N 0.86 0.50 3.65 7.41 0.00 -0.74 -5.02 105.19 111.85 3hgw n GLY 69 Ca 0.26 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 3hgw n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hgw s LEU 70 N -2.97 3.25 -0.02 0.99 1.43 0.11 -5.00 118.68 116.48 3hgw s LEU 70 Ca 0.00 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 3hgw s LEU 70 Cb 0.00 -1.86 -0.07 0.00 0.03 0.00 0.00 46.19 44.29 3hgw s LEU 70 CO 0.00 0.06 1.78 -0.62 0.23 0.00 0.00 176.35 177.80 3hgw s ASP 71 N -3.20 6.57 0.03 2.29 2.15 -1.26 -3.46 116.67 119.79 3hgw s ASP 71 Ca 0.29 2.40 -0.24 0.00 0.43 0.00 0.00 52.55 55.42 3hgw s ASP 71 Cb -0.08 -2.53 -0.18 0.00 -0.30 0.00 0.00 42.92 39.83 3hgw s ASP 71 CO 0.19 -0.98 1.46 0.00 -0.17 0.00 0.00 175.17 175.67 3hgw h ALA 72 N 9.99 0.02 -0.66 3.66 0.00 -1.89 -2.34 119.26 128.04 3hgw h ALA 72 Ca -0.43 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.43 3hgw h ALA 72 Cb 1.20 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 3hgw h ALA 72 CO 0.95 -0.34 0.27 -1.35 0.00 0.00 0.00 179.25 178.78 3hgw h PRO 73 N -0.27 0.44 0.77 0.00 0.11 -1.93 0.19 132.00 131.31 3hgw h PRO 73 Ca 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3hgw h PRO 73 Cb 0.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3hgw h PRO 73 CO 0.00 0.29 -0.43 0.35 -0.21 0.00 0.00 178.00 178.00 3hgw h PHE 74 N 0.45 -1.12 -0.78 0.65 3.57 -1.97 -1.14 116.94 116.60 3hgw h PHE 74 Ca 0.34 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 3hgw h PHE 74 Cb 0.43 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 3hgw h PHE 74 CO -0.16 -0.66 0.31 0.28 -2.23 0.00 0.00 178.31 175.85 3hgw h VAL 75 N -1.10 1.26 -0.56 1.41 2.07 -1.30 -1.17 116.25 116.86 3hgw h VAL 75 Ca -0.10 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 3hgw h VAL 75 Cb 0.87 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3hgw h VAL 75 CO 0.13 0.33 0.23 -0.08 0.02 0.00 0.00 177.57 178.21 3hgw h GLU 76 N 1.14 0.80 -0.64 1.57 4.81 -0.64 -1.15 114.58 120.45 3hgw h GLU 76 Ca 0.26 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 3hgw h GLU 76 Cb 0.22 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3hgw h GLU 76 CO -0.02 0.64 0.09 0.78 -0.73 0.00 0.00 179.01 179.77 3hgw h GLY 77 N 0.91 1.15 0.99 1.92 0.00 -0.46 -0.06 103.07 107.52 3hgw h GLY 77 Ca 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3hgw h GLY 77 CO -0.02 0.71 0.27 1.41 0.00 0.00 0.00 176.54 178.91 3hgw h LEU 78 N 1.00 0.51 -0.78 3.11 3.38 -0.59 -2.18 115.31 119.76 3hgw h LEU 78 Ca 0.20 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3hgw h LEU 78 Cb 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3hgw h LEU 78 CO 0.01 0.39 -0.44 -0.26 0.09 0.00 0.00 178.44 178.24 3hgw h PHE 79 N 0.58 0.45 -0.48 1.13 0.04 -1.04 -1.60 116.94 116.02 3hgw h PHE 79 Ca 0.16 -0.13 0.05 0.00 2.80 0.00 0.00 57.97 60.85 3hgw h PHE 79 Cb -0.03 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 3hgw h PHE 79 CO -0.04 0.76 0.21 0.00 -0.60 0.00 0.00 178.31 178.64 3hgw h ALA 80 N 1.22 0.60 -0.67 2.45 0.00 -0.89 -0.14 119.26 121.84 3hgw h ALA 80 Ca 0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3hgw h ALA 80 Cb 0.90 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3hgw h ALA 80 CO 0.08 -0.16 0.20 1.96 0.00 0.00 0.00 179.25 181.32 3hgw h GLN 81 N 0.41 1.03 -0.01 0.00 4.20 -1.08 -1.54 115.11 118.12 3hgw h GLN 81 Ca 0.22 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hgw h GLN 81 Cb 0.18 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 3hgw h GLN 81 CO -0.19 0.89 -0.00 0.82 -0.67 0.00 0.00 178.83 179.67 3hgw h ILE 82 N 0.99 1.36 0.02 2.54 2.04 -0.92 -0.47 117.51 123.07 3hgw h ILE 82 Ca 0.22 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3hgw h ILE 82 Cb 0.29 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 3hgw h ILE 82 CO -0.01 0.28 -0.03 0.40 0.00 0.00 0.00 178.15 178.79 3hgw h ILE 83 N -0.44 0.92 -0.41 -0.67 2.04 -1.02 -0.33 117.51 117.60 3hgw h ILE 83 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3hgw h ILE 83 Cb 0.46 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 3hgw h ILE 83 CO 0.00 0.00 0.01 -0.74 0.00 0.00 0.00 178.15 177.42 3hgw h HIS 84 N -0.06 -0.01 -0.33 1.37 2.76 -1.33 -1.51 115.15 116.04 3hgw h HIS 84 Ca 0.01 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 3hgw h HIS 84 Cb 0.07 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 3hgw h HIS 84 CO -0.10 -0.08 -0.13 2.35 -1.30 0.00 0.00 177.93 178.68 3hgw h TRP 85 N 0.11 0.76 -0.26 5.26 2.91 -0.93 -2.93 115.95 120.86 3hgw h TRP 85 Ca 0.20 -0.18 -0.04 0.00 1.13 0.00 0.00 58.89 60.00 3hgw h TRP 85 Cb 0.29 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 3hgw h TRP 85 CO -0.27 0.86 -0.03 1.88 -1.03 0.00 0.00 178.44 179.85 3hgw h TYR 86 N 0.43 0.41 -0.20 2.65 0.99 -0.94 -0.60 116.97 119.72 3hgw h TYR 86 Ca 0.08 -0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 3hgw h TYR 86 Cb 0.65 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 38.25 3hgw h TYR 86 CO 0.06 0.44 0.06 1.15 -0.00 0.00 0.00 178.16 179.86 3hgw h THR 87 N 0.39 1.20 -0.78 -2.88 2.02 -1.27 0.15 112.91 111.73 3hgw h THR 87 Ca 0.08 -0.62 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 3hgw h THR 87 Cb 0.31 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 3hgw h THR 87 CO 0.01 0.19 0.29 0.00 0.37 0.00 0.00 175.52 176.39 3hgw h ALA 88 N 0.87 1.01 -0.79 6.16 0.00 -1.28 0.05 119.26 125.28 3hgw h ALA 88 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hgw h ALA 88 Cb 0.25 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3hgw h ALA 88 CO -0.00 0.65 0.44 0.93 0.00 0.00 0.00 179.25 181.27 3hgw h GLU 89 N 1.13 1.09 -0.14 0.00 4.39 -1.02 -2.17 114.58 117.87 3hgw h GLU 89 Ca 0.26 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 3hgw h GLU 89 Cb 0.24 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3hgw h GLU 89 CO -0.02 0.80 -0.02 0.37 -1.16 0.00 0.00 179.01 178.99 3hgw h GLN 90 N 1.09 0.19 -0.04 2.33 4.15 -0.08 -0.97 115.11 121.78 3hgw h GLN 90 Ca 0.28 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 3hgw h GLN 90 Cb 0.02 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 3hgw h GLN 90 CO -0.05 0.23 -0.05 0.82 -1.93 0.00 0.00 178.83 177.86 3hgw h ILE 91 N 0.19 1.39 0.00 2.39 2.04 -0.39 -3.27 117.51 119.87 3hgw h ILE 91 Ca 0.05 -1.25 -0.13 0.00 1.00 0.00 0.00 64.86 64.53 3hgw h ILE 91 Cb 0.16 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 3hgw h ILE 91 CO 0.00 0.34 -0.62 0.07 0.00 0.00 0.00 178.15 177.94 3hgw h LYS 92 N -0.37 0.00 0.00 2.37 2.10 -1.41 -3.51 116.57 115.74 3hgw h LYS 92 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3hgw h LYS 92 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 3hgw h LYS 92 CO 0.01 0.62 0.00 0.98 -2.00 0.00 0.00 179.45 179.06