#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qou s ILE 3 N 0.00 1.81 0.00 -1.44 1.01 -1.26 -4.99 121.20 116.34 2qou s ILE 3 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 60.65 58.51 2qou s ILE 3 Cb 0.00 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.13 2qou s ILE 3 CO 0.00 -0.66 0.00 1.17 0.00 0.00 0.00 174.94 175.45 2qou n LYS 4 N 4.30 0.00 -0.07 2.79 0.00 -1.26 -5.00 118.16 118.92 2qou n LYS 4 Ca 0.03 0.00 0.24 0.00 0.00 0.00 0.00 58.31 58.58 2qou n LYS 4 Cb 0.41 0.00 0.56 0.00 0.00 0.00 0.00 35.03 36.00 2qou n LYS 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2qou h SER 5 N 0.00 0.00 0.00 3.14 4.64 -2.05 0.14 113.55 119.42 2qou h SER 5 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qou h SER 5 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qou h SER 5 CO 0.00 0.00 0.39 0.00 -0.87 0.00 0.00 176.83 176.35 2qou h ALA 6 N 0.92 1.35 -0.86 5.18 0.00 -2.00 -1.72 119.26 122.13 2qou h ALA 6 Ca 0.36 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.48 2qou h ALA 6 Cb 2.14 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.80 2qou h ALA 6 CO -0.00 -0.35 0.29 -0.22 0.00 0.00 0.00 179.25 178.98 2qou h LYS 7 N 0.00 0.29 -0.36 0.00 3.11 -1.09 0.23 116.57 118.74 2qou h LYS 7 Ca 0.00 -0.02 0.07 0.00 -2.81 0.00 0.00 60.65 57.90 2qou h LYS 7 Cb 0.77 -0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 31.87 2qou h LYS 7 CO 0.00 0.19 -0.09 -0.22 -2.81 0.00 0.00 179.45 176.52 2qou h LYS 8 N 0.30 -0.01 -0.86 1.90 3.64 -1.58 -1.11 116.57 118.86 2qou h LYS 8 Ca 0.53 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 60.09 2qou h LYS 8 Cb 1.02 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.73 2qou h LYS 8 CO -0.57 -0.00 0.41 -0.09 -2.27 0.00 0.00 179.45 176.92 2qou h ARG 9 N -0.01 0.50 -0.78 1.90 9.65 -0.76 0.31 114.38 125.19 2qou h ARG 9 Ca 0.17 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 2qou h ARG 9 Cb 0.27 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 2qou h ARG 9 CO -0.38 0.33 0.40 0.00 2.80 0.00 0.00 179.97 183.12 2qou h ALA 10 N 1.62 1.24 -0.09 2.80 0.00 -0.89 -1.70 119.26 122.25 2qou h ALA 10 Ca 0.50 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 2qou h ALA 10 Cb 0.83 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2qou h ALA 10 CO -0.44 0.60 -0.39 0.82 0.00 0.00 0.00 179.25 179.84 2qou h ILE 11 N 1.10 1.40 -0.43 0.00 2.04 -0.48 -2.95 117.51 118.19 2qou h ILE 11 Ca 0.27 -1.75 0.09 0.00 1.00 0.00 0.00 64.86 64.47 2qou h ILE 11 Cb 0.07 2.25 -0.09 0.00 -0.74 0.00 0.00 36.82 38.31 2qou h ILE 11 CO -0.04 0.51 -0.15 -0.61 0.00 0.00 0.00 178.15 177.86 2qou h GLN 12 N -0.03 -0.06 -0.92 2.37 4.15 -0.23 0.11 115.11 120.51 2qou h GLN 12 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.42 2qou h GLN 12 Cb 1.03 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.69 2qou h GLN 12 CO 0.08 -0.04 0.60 1.03 -1.93 0.00 0.00 178.83 178.58 2qou h SER 13 N -0.06 1.02 0.18 -0.69 0.87 -1.37 -2.90 113.55 110.61 2qou h SER 13 Ca 0.21 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2qou h SER 13 Cb 0.38 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2qou h SER 13 CO -0.47 0.72 -0.13 -0.08 -0.53 0.00 0.00 176.83 176.34 2qou h GLU 14 N 1.19 -0.30 -0.94 2.24 4.22 -0.82 -2.19 114.58 117.98 2qou h GLU 14 Ca 0.35 0.02 0.21 0.00 0.08 0.00 0.00 59.36 60.03 2qou h GLU 14 Cb -0.06 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.14 2qou h GLU 14 CO -0.09 -0.20 0.50 0.87 -2.18 0.00 0.00 179.01 177.90 2qou h LYS 15 N -0.31 0.53 -0.24 1.92 1.79 -1.12 0.20 116.57 119.34 2qou h LYS 15 Ca -0.01 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 2qou h LYS 15 Cb 0.27 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 2qou h LYS 15 CO 0.00 0.35 -0.26 0.00 -1.08 0.00 0.00 179.45 178.46 2qou h ALA 16 N 1.69 1.11 -0.22 3.86 0.00 -1.39 -2.92 119.26 121.38 2qou h ALA 16 Ca 0.58 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 55.20 2qou h ALA 16 Cb 1.04 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 2qou h ALA 16 CO -0.47 0.56 -0.22 -0.09 0.00 0.00 0.00 179.25 179.03 2qou h ARG 17 N 0.41 -0.23 0.22 0.00 1.12 0.02 1.26 114.38 117.18 2qou h ARG 17 Ca 0.06 0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.93 2qou h ARG 17 Cb 0.67 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.69 2qou h ARG 17 CO 0.05 -0.15 -0.10 0.87 -3.11 0.00 0.00 179.97 177.52 2qou h LYS 18 N -0.24 -0.28 0.29 0.20 1.57 -1.50 0.13 116.57 116.74 2qou h LYS 18 Ca 0.13 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2qou h LYS 18 Cb 0.43 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 2qou h LYS 18 CO -0.36 -0.12 -0.34 1.25 -0.57 0.00 0.00 179.45 179.31 2qou h HIS 19 N -0.38 -0.93 -0.56 -1.35 2.76 -1.25 -2.65 115.15 110.79 2qou h HIS 19 Ca -0.03 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.23 2qou h HIS 19 Cb 0.29 0.37 -0.06 0.00 1.55 0.00 0.00 27.41 29.56 2qou h HIS 19 CO -0.04 -0.48 0.23 -0.91 -1.30 0.00 0.00 177.93 175.43 2qou h ASN 20 N -0.68 0.26 -0.79 3.26 4.21 0.16 -2.84 115.58 119.16 2qou h ASN 20 Ca -0.01 0.06 0.08 0.00 1.21 0.00 0.00 56.30 57.64 2qou h ASN 20 Cb 0.63 0.03 -0.11 0.00 -1.12 0.00 0.00 38.32 37.75 2qou h ASN 20 CO -0.10 0.17 -0.56 0.00 -1.29 0.00 0.00 177.43 175.65 2qou h ALA 21 N 1.36 -0.58 -0.73 -0.83 0.00 -0.37 0.19 119.26 118.31 2qou h ALA 21 Ca 0.27 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.35 2qou h ALA 21 Cb 0.29 1.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.27 2qou h ALA 21 CO -0.26 -0.98 0.39 0.66 0.00 0.00 0.00 179.25 179.07 2qou h SER 22 N -0.14 0.54 0.35 0.00 4.64 -1.34 -0.58 113.55 117.02 2qou h SER 22 Ca 0.14 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2qou h SER 22 Cb 0.49 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2qou h SER 22 CO -0.82 0.32 -0.29 0.03 -0.87 0.00 0.00 176.83 175.20 2qou h ARG 23 N 0.67 -0.62 -0.11 4.77 2.47 -0.57 0.35 114.38 121.34 2qou h ARG 23 Ca 0.35 0.04 0.04 0.00 -1.26 0.00 0.00 59.98 59.15 2qou h ARG 23 Cb 0.32 0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 28.73 2qou h ARG 23 CO -0.24 -0.42 -0.19 0.00 0.56 0.00 0.00 179.97 179.68 2qou h ARG 24 N -0.65 -0.24 -0.09 0.04 3.08 -0.39 0.33 114.38 116.45 2qou h ARG 24 Ca -0.02 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.08 2qou h ARG 24 Cb 0.57 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 2qou h ARG 24 CO -0.03 -0.16 -0.14 0.77 -1.07 0.00 0.00 179.97 179.34 2qou h SER 25 N -0.25 -0.44 -0.07 7.04 0.02 -0.88 -0.30 113.55 118.68 2qou h SER 25 Ca 0.09 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 2qou h SER 25 Cb 0.39 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 2qou h SER 25 CO -0.26 -0.19 -0.17 -0.03 -1.14 0.00 0.00 176.83 175.04 2qou h MET 26 N -0.19 -0.23 -0.13 3.45 1.85 0.08 0.25 114.93 120.00 2qou h MET 26 Ca 0.08 0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.23 2qou h MET 26 Cb 0.31 0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.35 2qou h MET 26 CO -0.21 -0.16 -0.14 1.98 -0.40 0.00 0.00 176.91 177.99 2qou h MET 27 N -0.24 -0.16 0.11 0.39 -1.53 -0.66 -2.79 114.93 110.06 2qou h MET 27 Ca 0.07 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.34 2qou h MET 27 Cb 0.35 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.43 2qou h MET 27 CO -0.21 -0.10 -0.05 0.00 0.14 0.00 0.00 176.91 176.68 2qou h ARG 28 N -0.16 -0.14 -0.73 0.39 3.08 -0.68 -3.01 114.38 113.13 2qou h ARG 28 Ca 0.09 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.32 2qou h ARG 28 Cb 0.30 0.03 -0.12 0.00 0.08 0.00 0.00 29.97 30.26 2qou h ARG 28 CO -0.23 -0.07 0.07 1.79 -1.07 0.00 0.00 179.97 180.46 2qou h THR 29 N -0.18 0.42 -0.45 2.04 1.35 -0.35 0.89 112.91 116.63 2qou h THR 29 Ca -0.02 -0.06 -0.05 0.00 -0.55 0.00 0.00 66.41 65.74 2qou h THR 29 Cb 0.14 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 66.78 2qou h THR 29 CO 0.03 0.03 0.09 -0.26 -0.25 0.00 0.00 175.52 175.16 2qou h PHE 30 N 0.16 0.70 -0.36 4.73 -1.00 -1.44 -2.57 116.94 117.16 2qou h PHE 30 Ca 0.40 -0.06 -0.07 0.00 2.81 0.00 0.00 57.97 61.06 2qou h PHE 30 Cb 0.71 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 2qou h PHE 30 CO -0.35 0.61 -0.06 0.82 -1.61 0.00 0.00 178.31 177.73 2qou h ILE 31 N 0.66 1.23 -0.85 -0.55 2.04 -0.72 -2.98 117.51 116.34 2qou h ILE 31 Ca 0.15 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 2qou h ILE 31 Cb 0.28 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2qou h ILE 31 CO 0.00 0.32 0.52 0.11 0.00 0.00 0.00 178.15 179.11 2qou h LYS 32 N 0.56 1.15 -0.89 2.37 1.57 -0.91 -2.06 116.57 118.36 2qou h LYS 32 Ca 0.11 -0.10 0.18 0.00 -1.87 0.00 0.00 60.65 58.97 2qou h LYS 32 Cb 0.44 -0.24 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 2qou h LYS 32 CO 0.02 0.80 0.58 0.87 -0.57 0.00 0.00 179.45 181.16 2qou h LYS 33 N 1.17 0.48 -0.07 3.15 1.57 -1.50 0.13 116.57 121.49 2qou h LYS 33 Ca 0.31 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2qou h LYS 33 Cb -0.06 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 2qou h LYS 33 CO -0.06 0.32 0.05 0.28 -0.57 0.00 0.00 179.45 179.47 2qou h VAL 34 N 0.49 1.02 -0.42 0.50 2.07 -1.47 0.26 116.25 118.71 2qou h VAL 34 Ca 0.46 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.99 2qou h VAL 34 Cb 1.02 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 2qou h VAL 34 CO -0.19 0.02 0.13 0.22 0.02 0.00 0.00 177.57 177.77 2qou h TYR 35 N 0.09 0.24 -0.21 1.57 3.20 -0.78 -0.47 116.97 120.61 2qou h TYR 35 Ca 0.03 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.94 2qou h TYR 35 Cb -0.01 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2qou h TYR 35 CO -0.07 0.08 0.06 0.00 -1.64 0.00 0.00 178.16 176.59 2qou h ALA 36 N 1.28 0.23 -0.52 1.82 0.00 -0.79 1.28 119.26 122.55 2qou h ALA 36 Ca 0.20 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2qou h ALA 36 Cb 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2qou h ALA 36 CO -0.21 -0.36 0.28 0.00 0.00 0.00 0.00 179.25 178.95 2qou h ALA 37 N 1.13 0.67 -0.04 0.00 0.00 -0.44 0.37 119.26 120.96 2qou h ALA 37 Ca 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2qou h ALA 37 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qou h ALA 37 CO -0.10 -0.06 -0.15 0.82 0.00 0.00 0.00 179.25 179.76 2qou h ILE 38 N 0.54 1.47 -0.96 0.00 1.08 -0.69 0.37 117.51 119.32 2qou h ILE 38 Ca 0.23 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 2qou h ILE 38 Cb 0.11 2.42 -0.05 0.00 -3.07 0.00 0.00 36.82 36.24 2qou h ILE 38 CO -0.15 0.44 0.61 -0.08 -0.69 0.00 0.00 178.15 178.29 2qou h GLU 39 N -0.39 1.29 -0.01 2.37 4.22 0.18 -1.56 114.58 120.68 2qou h GLU 39 Ca -0.01 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.33 2qou h GLU 39 Cb 0.80 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2qou h GLU 39 CO 0.03 0.88 -0.27 0.00 -2.18 0.00 0.00 179.01 177.46 2qou n ALA 40 N -2.39 3.10 -0.96 2.92 0.00 0.13 -5.03 120.51 118.28 2qou n ALA 40 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2qou n ALA 40 Cb 0.04 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2qou n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qou n GLY 41 N 1.36 -3.64 2.65 0.00 0.00 0.02 -5.03 105.19 100.55 2qou n GLY 41 Ca 0.11 -0.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.54 2qou n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qou s ASP 42 N -0.09 -0.01 0.54 1.61 -1.08 -0.59 -4.89 116.67 112.15 2qou s ASP 42 Ca 0.00 -0.01 0.38 0.00 -0.52 0.00 0.00 52.55 52.39 2qou s ASP 42 Cb 0.00 0.02 1.56 0.00 -1.46 0.00 0.00 42.92 43.04 2qou s ASP 42 CO 0.00 -0.00 1.77 0.07 0.52 0.00 0.00 175.17 177.53 2qou h LYS 43 N 4.52 0.02 0.02 4.34 -0.00 -1.86 -0.89 116.57 122.71 2qou h LYS 43 Ca -0.04 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.61 2qou h LYS 43 Cb 1.21 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 2qou h LYS 43 CO -0.13 0.01 -0.01 0.00 -0.00 0.00 0.00 179.45 179.32 2qou h ALA 44 N 1.37 -0.13 -1.00 0.07 0.00 -1.95 -3.24 119.26 114.39 2qou h ALA 44 Ca 0.61 -0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.87 2qou h ALA 44 Cb 2.42 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 20.06 2qou h ALA 44 CO -0.02 -0.13 0.53 0.00 0.00 0.00 0.00 179.25 179.63 2qou h ALA 45 N -1.82 1.98 -2.28 0.00 0.00 -1.84 0.28 119.26 115.58 2qou h ALA 45 Ca -0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qou h ALA 45 Cb 0.02 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qou h ALA 45 CO 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 179.25 178.56 2qou n ALA 46 N -2.32 -0.09 -0.24 0.00 0.00 -0.38 0.12 120.51 117.60 2qou n ALA 46 Ca 0.33 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.78 2qou n ALA 46 Cb 1.07 0.07 0.08 0.00 0.00 0.00 0.00 19.45 20.66 2qou n ALA 46 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2qou h GLN 47 N 0.00 0.00 -0.06 0.00 1.08 -1.46 0.65 115.11 115.32 2qou h GLN 47 Ca 0.00 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2qou h GLN 47 Cb 0.00 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 2qou h GLN 47 CO 0.00 0.00 -0.45 -0.22 -0.95 0.00 0.00 178.83 177.21 2qou h LYS 48 N 0.00 -0.54 0.00 1.46 1.63 -0.39 -1.65 116.57 117.07 2qou h LYS 48 Ca 0.34 0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 60.10 2qou h LYS 48 Cb 0.51 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 2qou h LYS 48 CO -0.72 -0.36 -0.34 0.00 -3.45 0.00 0.00 179.45 174.59 2qou h ALA 49 N -0.07 1.41 -1.35 5.00 0.00 0.21 -2.48 119.26 121.97 2qou h ALA 49 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2qou h ALA 49 Cb 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qou h ALA 49 CO -0.37 0.42 0.00 0.34 0.00 0.00 0.00 179.25 179.64 2qou n PHE 50 N -4.09 0.00 0.15 0.00 -0.00 0.21 -2.09 117.46 111.64 2qou n PHE 50 Ca -0.02 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.51 2qou n PHE 50 Cb 0.38 -0.27 0.44 0.00 -0.00 0.00 0.00 39.48 40.03 2qou n PHE 50 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2qou n ASN 51 N -1.43 0.42 0.19 -2.13 0.23 -0.90 0.11 115.26 111.75 2qou n ASN 51 Ca 0.00 0.65 0.04 0.00 -0.53 0.00 0.00 54.58 54.74 2qou n ASN 51 Cb 0.00 -0.66 0.38 0.00 -2.08 0.00 0.00 39.78 37.42 2qou n ASN 51 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2qou h GLU 52 N 0.00 0.00 0.00 -3.83 4.81 -0.93 -3.26 114.58 111.37 2qou h GLU 52 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qou h GLU 52 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2qou h GLU 52 CO 0.00 0.37 -0.60 0.00 -0.73 0.00 0.00 179.01 178.04 2qou n MET 53 N -3.88 3.17 -0.35 1.92 0.00 0.12 -4.69 117.12 113.41 2qou n MET 53 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 57.70 57.73 2qou n MET 53 Cb 0.43 -0.83 0.14 0.00 0.00 0.00 0.00 33.22 32.96 2qou n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2qou h GLN 54 N 0.00 -0.00 -0.15 3.17 4.15 -0.77 0.53 115.11 122.05 2qou h GLN 54 Ca 0.00 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.24 2qou h GLN 54 Cb 0.08 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 2qou h GLN 54 CO 0.00 -0.00 -0.64 -1.00 -1.93 0.00 0.00 178.83 175.26 2qou h PRO 55 N -0.00 0.54 -0.07 -2.39 0.13 -1.85 -2.87 132.00 125.49 2qou h PRO 55 Ca 0.47 -0.39 0.04 0.00 -0.87 0.00 0.00 66.00 65.26 2qou h PRO 55 Cb 0.72 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.86 2qou h PRO 55 CO -1.02 1.01 -0.26 0.82 -0.23 0.00 0.00 178.00 178.32 2qou h ILE 56 N 0.40 0.40 0.32 -3.56 2.04 -0.29 -0.53 117.51 116.29 2qou h ILE 56 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2qou h ILE 56 Cb 1.21 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2qou h ILE 56 CO 0.12 0.00 -0.15 -0.37 0.00 0.00 0.00 178.15 177.75 2qou h VAL 57 N -0.35 0.71 -0.18 1.67 -1.51 -1.15 -0.89 116.25 114.55 2qou h VAL 57 Ca 0.08 -0.22 0.03 0.00 -1.23 0.00 0.00 66.70 65.37 2qou h VAL 57 Cb 0.48 0.83 -0.06 0.00 -2.13 0.00 0.00 31.29 30.41 2qou h VAL 57 CO -0.28 0.05 -0.45 0.44 -1.23 0.00 0.00 177.57 176.10 2qou h ASP 58 N -0.54 -1.46 0.06 4.19 3.32 -1.32 0.44 116.42 121.11 2qou h ASP 58 Ca -0.04 0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.19 2qou h ASP 58 Cb 0.40 0.58 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 2qou h ASP 58 CO 0.07 -0.38 -0.34 -0.09 -1.72 0.00 0.00 179.24 176.78 2qou h ARG 59 N -0.44 -0.45 -1.10 3.56 2.43 -1.12 1.27 114.38 118.53 2qou h ARG 59 Ca 0.04 0.03 0.30 0.00 -0.81 0.00 0.00 59.98 59.54 2qou h ARG 59 Cb 0.54 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 30.10 2qou h ARG 59 CO -0.40 -0.30 0.72 1.96 -1.51 0.00 0.00 179.97 180.44 2qou h GLN 60 N -0.47 0.29 0.04 0.20 1.08 -0.87 -1.17 115.11 114.21 2qou h GLN 60 Ca -0.00 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.06 2qou h GLN 60 Cb 0.48 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2qou h GLN 60 CO -0.19 0.19 -0.58 0.00 -0.95 0.00 0.00 178.83 177.30 2qou h ALA 61 N 1.59 0.05 0.00 3.87 0.00 0.68 -3.31 119.26 122.14 2qou h ALA 61 Ca 0.62 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qou h ALA 61 Cb 1.76 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2qou h ALA 61 CO -0.28 0.31 0.44 0.00 0.00 0.00 0.00 179.25 179.73 2qou h ALA 62 N -0.08 1.40 -1.43 0.00 0.00 0.28 -0.53 119.26 118.90 2qou h ALA 62 Ca -0.13 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.16 2qou h ALA 62 Cb 1.29 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.68 2qou h ALA 62 CO 0.00 -0.40 -0.47 1.63 0.00 0.00 0.00 179.25 180.01 2qou n LYS 63 N -2.53 3.34 -0.16 0.00 4.76 -0.84 -4.96 118.16 117.76 2qou n LYS 63 Ca -0.01 -4.36 0.02 0.00 -2.87 0.00 0.00 58.31 51.09 2qou n LYS 63 Cb 0.47 -2.25 -0.01 0.00 -1.84 0.00 0.00 35.03 31.40 2qou n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qou n GLY 64 N -0.49 -1.96 4.56 0.72 0.00 -0.51 -4.86 105.19 102.64 2qou n GLY 64 Ca 0.41 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2qou n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qou n LEU 65 N 0.00 0.00 0.00 0.99 7.94 -1.26 -4.02 117.00 120.65 2qou n LEU 65 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2qou n LEU 65 Cb 0.07 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.02 2qou n LEU 65 CO 0.00 0.00 0.00 -0.38 -1.11 0.00 0.00 177.39 175.90 2qou n ILE 66 N -0.41 0.00 -2.49 1.96 -0.00 -1.26 -5.04 119.36 112.11 2qou n ILE 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2qou n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2qou n ILE 66 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 2qou n HIS 67 N -1.01 -0.20 -2.70 1.39 -0.00 -0.32 -4.85 115.22 107.53 2qou n HIS 67 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2qou n HIS 67 Cb 0.00 0.07 0.00 0.00 -0.12 0.00 0.00 29.99 29.94 2qou n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2qou n LYS 68 N 0.00 0.00 0.06 1.57 4.76 -1.26 -3.34 118.16 119.94 2qou n LYS 68 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2qou n LYS 68 Cb 0.00 0.00 0.50 0.00 -1.84 0.00 0.00 35.03 33.69 2qou n LYS 68 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2qou n ASN 69 N -3.46 0.45 0.00 4.39 3.02 -1.26 -4.41 115.26 113.99 2qou n ASN 69 Ca 0.00 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 2qou n ASN 69 Cb 0.00 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 2qou n ASN 69 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2qou n LYS 70 N -1.92 0.00 -0.30 3.52 4.81 -1.21 0.12 118.16 123.17 2qou n LYS 70 Ca 0.06 0.46 0.14 0.00 -0.87 0.00 0.00 58.31 58.10 2qou n LYS 70 Cb 0.38 -1.01 0.30 0.00 0.02 0.00 0.00 35.03 34.73 2qou n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qou h ALA 71 N -1.99 1.34 -0.38 3.14 0.00 -1.77 0.11 119.26 119.70 2qou h ALA 71 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2qou h ALA 71 Cb 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2qou h ALA 71 CO 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 179.25 178.83 2qou h ALA 72 N 1.78 0.39 -0.86 0.00 0.00 -1.43 -1.91 119.26 117.23 2qou h ALA 72 Ca 0.57 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.60 2qou h ALA 72 Cb 1.15 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2qou h ALA 72 CO -0.64 -0.35 0.55 0.07 0.00 0.00 0.00 179.25 178.88 2qou h ARG 73 N 0.17 1.04 0.03 0.00 0.11 0.36 -1.50 114.38 114.59 2qou h ARG 73 Ca 0.19 -0.06 0.02 0.00 0.10 0.00 0.00 59.98 60.22 2qou h ARG 73 Cb 0.24 -0.23 -0.05 0.00 1.11 0.00 0.00 29.97 31.03 2qou h ARG 73 CO -0.27 0.69 -0.48 0.45 0.10 0.00 0.00 179.97 180.46 2qou h HIS 74 N 1.07 -1.41 -0.34 4.08 3.86 -0.90 -1.78 115.15 119.74 2qou h HIS 74 Ca 0.35 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.66 2qou h HIS 74 Cb 0.02 0.61 -0.08 0.00 1.06 0.00 0.00 27.41 29.02 2qou h HIS 74 CO -0.02 -0.52 -0.45 0.87 0.86 0.00 0.00 177.93 178.67 2qou h LYS 75 N -0.63 -0.37 0.00 2.45 1.57 -1.10 -1.49 116.57 117.00 2qou h LYS 75 Ca 0.01 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2qou h LYS 75 Cb 0.66 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2qou h LYS 75 CO -0.30 -0.25 0.00 0.00 -0.57 0.00 0.00 179.45 178.33 2qou n ALA 76 N -3.04 -0.07 -0.24 3.86 0.00 -0.60 -1.59 120.51 118.83 2qou n ALA 76 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 2qou n ALA 76 Cb 0.35 0.41 0.42 0.00 0.00 0.00 0.00 19.45 20.63 2qou n ALA 76 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2qou h ASN 77 N 0.00 0.57 -0.21 0.00 7.08 -1.25 -2.51 115.58 119.26 2qou h ASN 77 Ca 0.00 0.04 0.05 0.00 -3.08 0.00 0.00 56.30 53.31 2qou h ASN 77 Cb 0.00 -0.08 -0.07 0.00 -2.08 0.00 0.00 38.32 36.09 2qou h ASN 77 CO 0.00 0.29 -0.43 -0.07 -2.08 0.00 0.00 177.43 175.13 2qou h LEU 78 N 0.60 -1.38 -0.07 6.14 3.38 -0.25 -0.00 115.31 123.73 2qou h LEU 78 Ca 0.43 0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.63 2qou h LEU 78 Cb 0.79 0.57 -0.06 0.00 0.09 0.00 0.00 40.66 42.05 2qou h LEU 78 CO -0.19 -0.41 -0.34 0.74 0.09 0.00 0.00 178.44 178.33 2qou h THR 79 N -0.45 0.26 -0.67 0.22 2.02 -1.09 0.12 112.91 113.32 2qou h THR 79 Ca 0.09 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.46 2qou h THR 79 Cb 0.62 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 2qou h THR 79 CO -0.45 0.00 0.48 0.00 0.37 0.00 0.00 175.52 175.93 2qou h ALA 80 N 0.29 2.63 0.08 6.16 0.00 -1.40 0.33 119.26 127.35 2qou h ALA 80 Ca 0.08 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 2qou h ALA 80 Cb 0.57 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.43 2qou h ALA 80 CO -0.32 -0.83 -1.16 1.96 0.00 0.00 0.00 179.25 178.90 2qou h GLN 81 N 0.00 0.55 0.00 0.00 1.08 0.11 -1.69 115.11 115.16 2qou h GLN 81 Ca 0.32 -0.70 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 2qou h GLN 81 Cb 1.28 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.94 2qou h GLN 81 CO -0.00 1.30 -0.02 0.44 -0.95 0.00 0.00 178.83 179.60 2qou n ILE 82 N -3.76 0.33 -0.02 2.54 -6.64 0.17 -3.32 119.36 108.66 2qou n ILE 82 Ca -0.11 -0.16 -0.15 0.00 -1.77 0.00 0.00 62.75 60.55 2qou n ILE 82 Cb 0.95 -0.53 -0.14 0.00 -1.44 0.00 0.00 39.64 38.48 2qou n ILE 82 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2qou n ASN 83 N -1.93 1.48 -1.67 7.28 3.02 0.92 -3.12 115.26 121.24 2qou n ASN 83 Ca 0.06 0.26 -0.03 0.00 -0.03 0.00 0.00 54.58 54.84 2qou n ASN 83 Cb 0.39 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 39.12 2qou n ASN 83 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qou n LYS 84 N -3.25 1.17 0.01 3.52 4.76 -0.64 -3.98 118.16 119.75 2qou n LYS 84 Ca -0.27 -0.25 0.00 0.00 -2.87 0.00 0.00 58.31 54.93 2qou n LYS 84 Cb 1.05 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.96 2qou n LYS 84 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2qou n LEU 85 N 1.81 -0.14 0.00 -0.35 -0.00 -1.26 -5.02 117.00 112.04 2qou n LEU 85 Ca 0.11 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.27 2qou n LEU 85 Cb 0.56 0.30 0.00 0.00 -0.00 0.00 0.00 43.42 44.28 2qou n LEU 85 CO 0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 177.39 177.40