#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan n ILE 3 N 0.00 -0.01 0.00 -1.44 5.41 -1.26 -4.73 119.36 117.34 2qan n ILE 3 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.38 2qan n ILE 3 Cb 0.00 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 2qan n ILE 3 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2qan n LYS 4 N 7.17 0.00 -0.36 0.38 4.76 -1.26 -5.03 118.16 123.83 2qan n LYS 4 Ca 0.62 0.00 0.36 0.00 -2.87 0.00 0.00 58.31 56.42 2qan n LYS 4 Cb 0.18 0.00 0.73 0.00 -1.84 0.00 0.00 35.03 34.10 2qan n LYS 4 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2qan h SER 5 N 0.00 0.05 0.00 4.39 4.64 -2.07 0.48 113.55 121.04 2qan h SER 5 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2qan h SER 5 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qan h SER 5 CO 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 176.83 175.97 2qan n ALA 6 N -2.75 1.19 -0.30 5.18 0.00 -1.26 -2.47 120.51 120.10 2qan n ALA 6 Ca 0.27 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.96 2qan n ALA 6 Cb 1.28 -0.95 0.56 0.00 0.00 0.00 0.00 19.45 20.34 2qan n ALA 6 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qan h LYS 7 N 0.00 0.30 -1.09 0.00 3.64 -0.34 0.10 116.57 119.18 2qan h LYS 7 Ca 0.00 -0.02 0.30 0.00 -1.27 0.00 0.00 60.65 59.66 2qan h LYS 7 Cb 0.02 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 31.68 2qan h LYS 7 CO 0.00 0.20 0.70 -0.22 -2.27 0.00 0.00 179.45 177.86 2qan h LYS 8 N 0.31 0.32 -0.90 1.90 3.64 -1.74 0.30 116.57 120.40 2qan h LYS 8 Ca 0.56 -0.02 0.19 0.00 -1.27 0.00 0.00 60.65 60.12 2qan h LYS 8 Cb 1.58 -0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 33.22 2qan h LYS 8 CO -0.22 0.21 0.45 -0.09 -2.27 0.00 0.00 179.45 177.53 2qan h ARG 9 N 0.33 0.51 -0.54 1.90 9.65 -1.08 -0.59 114.38 124.57 2qan h ARG 9 Ca 0.63 -0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.59 2qan h ARG 9 Cb 1.70 -0.12 -0.10 0.00 -1.39 0.00 0.00 29.97 30.07 2qan h ARG 9 CO -0.31 0.34 -0.12 0.00 2.80 0.00 0.00 179.97 182.68 2qan h ALA 10 N 1.65 0.38 -0.25 2.80 0.00 -0.57 0.41 119.26 123.68 2qan h ALA 10 Ca 0.54 0.20 -0.13 0.00 0.00 0.00 0.00 54.91 55.52 2qan h ALA 10 Cb 0.92 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2qan h ALA 10 CO -0.45 -0.43 -0.34 0.82 0.00 0.00 0.00 179.25 178.85 2qan h ILE 11 N 0.01 1.31 -0.14 0.00 2.04 -1.27 -1.10 117.51 118.37 2qan h ILE 11 Ca 0.26 -1.53 0.03 0.00 1.00 0.00 0.00 64.86 64.62 2qan h ILE 11 Cb 0.40 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 2qan h ILE 11 CO -0.54 0.48 -0.06 -0.61 0.00 0.00 0.00 178.15 177.43 2qan h GLN 12 N 0.40 -0.04 0.32 2.37 4.15 -0.29 0.29 115.11 122.31 2qan h GLN 12 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 2qan h GLN 12 Cb 0.92 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.62 2qan h GLN 12 CO 0.08 -0.02 -0.15 1.03 -1.93 0.00 0.00 178.83 177.83 2qan h SER 13 N -0.04 -0.36 -0.34 -0.69 0.87 -0.25 -1.90 113.55 110.84 2qan h SER 13 Ca 0.07 -0.13 0.07 0.00 -1.23 0.00 0.00 61.79 60.57 2qan h SER 13 Cb 0.15 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 2qan h SER 13 CO -0.16 -0.07 -0.07 -0.08 -0.53 0.00 0.00 176.83 175.92 2qan h GLU 14 N -0.66 0.01 -0.56 2.24 4.22 -1.07 0.20 114.58 118.96 2qan h GLU 14 Ca -0.04 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2qan h GLU 14 Cb 0.47 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2qan h GLU 14 CO 0.07 0.01 0.36 0.87 -2.18 0.00 0.00 179.01 178.14 2qan h LYS 15 N 0.01 0.75 -0.04 1.92 1.79 -0.44 -0.87 116.57 119.70 2qan h LYS 15 Ca 0.17 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.48 2qan h LYS 15 Cb 0.25 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 2qan h LYS 15 CO -0.34 0.51 -0.45 0.00 -1.08 0.00 0.00 179.45 178.09 2qan h ALA 16 N 1.63 1.18 -0.58 3.86 0.00 -0.33 -3.01 119.26 122.01 2qan h ALA 16 Ca 0.20 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 54.77 2qan h ALA 16 Cb -0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2qan h ALA 16 CO -0.04 0.58 0.26 -0.09 0.00 0.00 0.00 179.25 179.96 2qan h ARG 17 N 0.08 0.47 -0.06 0.00 1.12 0.47 -0.68 114.38 115.78 2qan h ARG 17 Ca 0.00 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 58.85 2qan h ARG 17 Cb 0.82 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.67 2qan h ARG 17 CO 0.06 0.31 0.00 0.87 -3.11 0.00 0.00 179.97 178.11 2qan h LYS 18 N 0.49 0.02 -0.01 0.20 1.57 -1.47 0.25 116.57 117.62 2qan h LYS 18 Ca 0.28 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.08 2qan h LYS 18 Cb 0.26 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2qan h LYS 18 CO -0.23 0.01 -0.17 1.25 -0.57 0.00 0.00 179.45 179.75 2qan h HIS 19 N 0.02 -0.43 -0.30 -1.35 2.76 -1.45 -1.66 115.15 112.74 2qan h HIS 19 Ca 0.03 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 2qan h HIS 19 Cb 0.03 0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 2qan h HIS 19 CO -0.11 -0.24 0.11 -0.91 -1.30 0.00 0.00 177.93 175.49 2qan h ASN 20 N -0.27 0.14 -0.01 3.26 4.21 -0.93 -2.17 115.58 119.81 2qan h ASN 20 Ca 0.06 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2qan h ASN 20 Cb 0.34 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 2qan h ASN 20 CO -0.16 0.12 -0.09 0.00 -1.29 0.00 0.00 177.43 176.01 2qan h ALA 21 N 1.18 -0.55 -0.33 -0.83 0.00 -0.05 0.83 119.26 119.51 2qan h ALA 21 Ca 0.13 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2qan h ALA 21 Cb 0.09 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 2qan h ALA 21 CO -0.12 -0.58 -0.54 0.66 0.00 0.00 0.00 179.25 178.67 2qan h SER 22 N -0.10 -1.79 -0.88 0.00 4.64 -1.31 0.73 113.55 114.83 2qan h SER 22 Ca 0.00 0.23 0.17 0.00 -0.47 0.00 0.00 61.79 61.72 2qan h SER 22 Cb 0.11 0.73 -0.10 0.00 -0.31 0.00 0.00 62.40 62.83 2qan h SER 22 CO -0.06 -0.41 0.45 0.03 -0.87 0.00 0.00 176.83 175.97 2qan h ARG 23 N -0.43 0.58 -0.35 4.77 2.47 -1.25 -0.22 114.38 119.94 2qan h ARG 23 Ca 0.06 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2qan h ARG 23 Cb 0.60 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 2qan h ARG 23 CO -0.54 0.38 0.06 -0.09 0.56 0.00 0.00 179.97 180.34 2qan h ARG 24 N 0.60 0.59 -0.25 0.04 2.43 0.29 -2.97 114.38 115.10 2qan h ARG 24 Ca 0.50 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 59.55 2qan h ARG 24 Cb 0.76 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 2qan h ARG 24 CO -0.40 0.66 0.02 0.77 -1.51 0.00 0.00 179.97 179.51 2qan h SER 25 N 0.42 -0.06 -0.69 -3.80 0.02 0.21 -2.35 113.55 107.30 2qan h SER 25 Ca 0.11 0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.20 2qan h SER 25 Cb 0.35 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.91 2qan h SER 25 CO 0.01 0.00 0.34 -0.03 -1.14 0.00 0.00 176.83 176.01 2qan h MET 26 N 0.10 0.58 0.84 3.45 1.85 -1.19 -1.30 114.93 119.26 2qan h MET 26 Ca 0.12 -0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 59.13 2qan h MET 26 Cb 0.14 -0.13 0.01 0.00 0.43 0.00 0.00 31.60 32.05 2qan h MET 26 CO -0.19 0.38 -0.41 1.98 -0.40 0.00 0.00 176.91 178.28 2qan h MET 27 N 0.59 -1.09 -0.69 0.39 -1.53 -1.31 -2.51 114.93 108.79 2qan h MET 27 Ca 0.34 0.07 0.14 0.00 -3.44 0.00 0.00 59.70 56.82 2qan h MET 27 Cb 0.34 0.25 -0.12 0.00 -0.55 0.00 0.00 31.60 31.52 2qan h MET 27 CO -0.26 -0.73 -0.09 0.00 0.14 0.00 0.00 176.91 175.98 2qan h ARG 28 N -1.14 0.05 -0.28 0.39 2.47 -1.15 -1.87 114.38 112.85 2qan h ARG 28 Ca -0.11 -0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.64 2qan h ARG 28 Cb 0.87 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.14 2qan h ARG 28 CO 0.18 0.03 0.04 1.79 0.56 0.00 0.00 179.97 182.58 2qan h THR 29 N 0.05 0.85 -0.80 2.04 1.35 -1.12 -2.30 112.91 112.98 2qan h THR 29 Ca 0.35 -0.05 -0.02 0.00 -0.55 0.00 0.00 66.41 66.14 2qan h THR 29 Cb 0.57 0.70 -0.04 0.00 -1.73 0.00 0.00 68.15 67.65 2qan h THR 29 CO -0.65 0.03 0.41 -0.26 -0.25 0.00 0.00 175.52 174.79 2qan h PHE 30 N 0.14 1.12 0.00 4.73 -1.00 -0.91 -2.12 116.94 118.89 2qan h PHE 30 Ca 0.13 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 2qan h PHE 30 Cb 0.15 -0.35 -0.00 0.00 3.61 0.00 0.00 35.95 39.35 2qan h PHE 30 CO -0.18 0.80 -0.07 0.82 -1.61 0.00 0.00 178.31 178.06 2qan h ILE 31 N 1.13 0.90 -0.05 -0.55 2.04 -0.91 -2.95 117.51 117.12 2qan h ILE 31 Ca 0.28 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 2qan h ILE 31 Cb 0.08 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2qan h ILE 31 CO -0.04 0.07 -0.33 0.11 0.00 0.00 0.00 178.15 177.96 2qan h LYS 32 N 0.00 0.30 -1.11 2.37 1.57 -0.85 -3.07 116.57 115.78 2qan h LYS 32 Ca -0.00 -0.27 0.35 0.00 -1.87 0.00 0.00 60.65 58.87 2qan h LYS 32 Cb 0.14 0.06 -0.13 0.00 0.08 0.00 0.00 32.23 32.38 2qan h LYS 32 CO 0.01 0.93 0.68 0.87 -0.57 0.00 0.00 179.45 181.36 2qan h LYS 33 N -0.23 0.24 0.30 3.15 1.57 -1.38 0.77 116.57 120.98 2qan h LYS 33 Ca -0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2qan h LYS 33 Cb 1.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2qan h LYS 33 CO 0.07 0.16 -0.14 0.28 -0.57 0.00 0.00 179.45 179.24 2qan h VAL 34 N 0.24 0.71 -0.72 0.50 2.07 -1.62 0.15 116.25 117.58 2qan h VAL 34 Ca 0.74 -0.60 0.11 0.00 0.82 0.00 0.00 66.70 67.77 2qan h VAL 34 Cb 1.96 1.01 -0.08 0.00 -1.52 0.00 0.00 31.29 32.67 2qan h VAL 34 CO -0.50 0.12 0.32 0.10 0.02 0.00 0.00 177.57 177.63 2qan h TYR 35 N -0.75 0.56 0.15 1.57 -0.00 0.02 0.50 116.97 119.03 2qan h TYR 35 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.71 2qan h TYR 35 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 36.73 37.09 2qan h TYR 35 CO 0.02 0.15 -0.07 0.00 -0.00 0.00 0.00 178.16 178.26 2qan h ALA 36 N 1.48 -0.20 0.74 0.10 0.00 0.34 -0.18 119.26 121.54 2qan h ALA 36 Ca 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2qan h ALA 36 Cb 0.48 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2qan h ALA 36 CO -0.33 -0.49 -0.40 0.00 0.00 0.00 0.00 179.25 178.03 2qan h ALA 37 N 0.38 -1.07 -0.91 0.00 0.00 -0.06 0.86 119.26 118.46 2qan h ALA 37 Ca -0.02 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 54.83 2qan h ALA 37 Cb 0.34 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 2qan h ALA 37 CO 0.03 -1.11 0.59 0.97 0.00 0.00 0.00 179.25 179.73 2qan h ILE 38 N -1.06 0.78 0.02 0.00 -0.00 -0.08 0.48 117.51 117.64 2qan h ILE 38 Ca -0.10 -0.22 -0.22 0.00 -0.00 0.00 0.00 64.86 64.33 2qan h ILE 38 Cb 0.83 0.09 -0.01 0.00 -0.00 0.00 0.00 36.82 37.73 2qan h ILE 38 CO 0.13 0.12 -0.95 -0.08 -0.00 0.00 0.00 178.15 177.37 2qan h GLU 39 N 0.63 0.25 -0.10 2.19 4.22 -0.56 -3.08 114.58 118.12 2qan h GLU 39 Ca 0.47 -0.29 0.00 0.00 0.08 0.00 0.00 59.36 59.62 2qan h GLU 39 Cb 0.86 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2qan h GLU 39 CO -0.22 1.03 0.00 0.00 -2.18 0.00 0.00 179.01 177.64 2qan n ALA 40 N -2.49 2.54 -2.04 2.92 0.00 0.29 -4.97 120.51 116.76 2qan n ALA 40 Ca -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.08 2qan n ALA 40 Cb 0.85 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 2qan n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qan n GLY 41 N 0.87 -4.50 0.00 0.00 0.00 -0.17 -5.02 105.19 96.38 2qan n GLY 41 Ca 0.12 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2qan n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qan n ASP 42 N 1.07 0.00 -0.44 1.61 -0.08 -1.23 -4.96 116.55 112.51 2qan n ASP 42 Ca -0.17 0.00 0.41 0.00 -1.51 0.00 0.00 54.79 53.52 2qan n ASP 42 Cb 0.26 0.00 0.77 0.00 2.34 0.00 0.00 41.12 44.49 2qan n ASP 42 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2qan h LYS 43 N 0.00 0.01 0.08 -0.67 -0.00 -1.93 -0.31 116.57 113.76 2qan h LYS 43 Ca 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2qan h LYS 43 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2qan h LYS 43 CO 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 179.45 179.42 2qan h ALA 44 N 1.30 -0.72 -0.93 0.07 0.00 -1.98 -2.97 119.26 114.03 2qan h ALA 44 Ca 0.69 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.74 2qan h ALA 44 Cb 2.72 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 20.47 2qan h ALA 44 CO -0.03 -0.71 0.59 0.00 0.00 0.00 0.00 179.25 179.11 2qan h ALA 45 N -1.92 1.86 -0.10 0.00 0.00 -1.80 -2.10 119.26 115.20 2qan h ALA 45 Ca -0.01 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2qan h ALA 45 Cb 0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 2qan h ALA 45 CO 0.02 -0.15 -0.41 0.00 0.00 0.00 0.00 179.25 178.71 2qan h ALA 46 N 1.61 -0.59 -0.14 0.00 0.00 -1.13 0.23 119.26 119.24 2qan h ALA 46 Ca 0.49 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.43 2qan h ALA 46 Cb 0.85 0.76 -0.06 0.00 0.00 0.00 0.00 17.79 19.35 2qan h ALA 46 CO -0.24 -0.92 -0.28 1.96 0.00 0.00 0.00 179.25 179.77 2qan h GLN 47 N -0.50 -0.33 -0.80 0.00 1.08 -1.21 0.32 115.11 113.66 2qan h GLN 47 Ca 0.07 0.02 0.17 0.00 -1.45 0.00 0.00 58.65 57.47 2qan h GLN 47 Cb 0.63 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 28.08 2qan h GLN 47 CO -0.38 -0.22 0.54 -0.22 -0.95 0.00 0.00 178.83 177.60 2qan h LYS 48 N -0.34 0.34 0.00 1.46 1.63 -1.19 0.81 116.57 119.28 2qan h LYS 48 Ca 0.10 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 2qan h LYS 48 Cb 0.50 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2qan h LYS 48 CO -0.34 0.23 -0.44 0.00 -3.45 0.00 0.00 179.45 175.45 2qan h ALA 49 N 1.63 0.79 0.03 5.00 0.00 0.14 -3.14 119.26 123.72 2qan h ALA 49 Ca 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2qan h ALA 49 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2qan h ALA 49 CO -0.12 0.13 -0.02 0.35 0.00 0.00 0.00 179.25 179.59 2qan h PHE 50 N 0.00 -0.04 0.00 0.00 3.04 0.19 -3.20 116.94 116.93 2qan h PHE 50 Ca -0.01 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2qan h PHE 50 Cb 1.08 0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.60 2qan h PHE 50 CO 0.00 -0.03 0.08 -2.95 -2.02 0.00 0.00 178.31 173.40 2qan h ASN 51 N -0.86 0.00 0.45 0.41 7.08 -1.53 0.41 115.58 121.53 2qan h ASN 51 Ca -0.00 0.00 -0.14 0.00 -3.08 0.00 0.00 56.30 53.07 2qan h ASN 51 Cb 0.04 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.26 2qan h ASN 51 CO 0.01 0.00 -0.62 1.05 -2.08 0.00 0.00 177.43 175.79 2qan h GLU 52 N 0.00 0.17 0.00 4.14 4.11 -1.62 -3.31 114.58 118.07 2qan h GLU 52 Ca 0.00 -0.12 -0.11 0.00 0.07 0.00 0.00 59.36 59.20 2qan h GLU 52 Cb 0.17 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2qan h GLU 52 CO 0.00 0.73 -1.91 0.00 0.07 0.00 0.00 179.01 177.90 2qan n MET 53 N -3.84 0.86 -0.31 1.06 0.00 0.53 -4.49 117.12 110.92 2qan n MET 53 Ca -0.02 -0.10 0.07 0.00 0.00 0.00 0.00 57.70 57.65 2qan n MET 53 Cb 0.62 -1.41 0.18 0.00 0.00 0.00 0.00 33.22 32.61 2qan n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2qan h GLN 54 N 0.00 0.02 -0.33 3.17 4.15 -0.43 0.27 115.11 121.96 2qan h GLN 54 Ca -0.17 -0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.13 2qan h GLN 54 Cb 1.26 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 2qan h GLN 54 CO 0.01 0.02 -0.26 -1.00 -1.93 0.00 0.00 178.83 175.66 2qan h PRO 55 N 0.02 0.76 0.47 -2.39 0.13 -1.81 -2.48 132.00 126.71 2qan h PRO 55 Ca 0.48 -0.38 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2qan h PRO 55 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 2qan h PRO 55 CO -0.87 1.00 -0.44 0.82 -0.23 0.00 0.00 178.00 178.28 2qan h ILE 56 N 0.53 0.00 -0.60 -3.56 2.04 -0.83 0.59 117.51 115.68 2qan h ILE 56 Ca 0.06 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.02 2qan h ILE 56 Cb 0.83 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 2qan h ILE 56 CO 0.07 0.00 0.22 -0.37 0.00 0.00 0.00 178.15 178.07 2qan h VAL 57 N -0.89 0.76 -0.48 1.67 -1.51 -0.91 0.47 116.25 115.36 2qan h VAL 57 Ca -0.06 -0.14 -0.04 0.00 -1.23 0.00 0.00 66.70 65.24 2qan h VAL 57 Cb 0.77 0.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.24 2qan h VAL 57 CO -0.03 0.07 0.15 0.44 -1.23 0.00 0.00 177.57 176.97 2qan h ASP 58 N 0.39 0.69 0.48 4.19 3.32 -1.22 -2.19 116.42 122.08 2qan h ASP 58 Ca 0.31 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2qan h ASP 58 Cb 0.38 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2qan h ASP 58 CO -0.31 0.71 -0.23 -0.09 -1.72 0.00 0.00 179.24 177.60 2qan h ARG 59 N 0.64 -0.62 -0.05 3.56 2.43 0.11 -0.93 114.38 119.52 2qan h ARG 59 Ca 0.15 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2qan h ARG 59 Cb 0.27 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2qan h ARG 59 CO -0.01 -0.32 0.27 1.96 -1.51 0.00 0.00 179.97 180.36 2qan h GLN 60 N -0.85 0.00 0.09 0.20 1.08 -0.09 0.10 115.11 115.64 2qan h GLN 60 Ca -0.07 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.81 2qan h GLN 60 Cb 0.58 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 2qan h GLN 60 CO 0.11 0.00 -1.78 0.00 -0.95 0.00 0.00 178.83 176.20 2qan h ALA 61 N 1.51 0.48 -0.62 3.87 0.00 -1.11 -3.21 119.26 120.17 2qan h ALA 61 Ca 0.02 -1.33 0.18 0.00 0.00 0.00 0.00 54.91 53.78 2qan h ALA 61 Cb 0.56 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2qan h ALA 61 CO -0.00 1.34 0.52 0.00 0.00 0.00 0.00 179.25 181.11 2qan h ALA 62 N 0.45 2.48 -2.34 0.00 0.00 0.63 -3.13 119.26 117.35 2qan h ALA 62 Ca -0.33 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 53.96 2qan h ALA 62 Cb 2.03 0.05 -0.40 0.00 0.00 0.00 0.00 17.79 19.46 2qan h ALA 62 CO 0.11 -0.84 -0.82 1.63 0.00 0.00 0.00 179.25 179.32 2qan n LYS 63 N -4.03 1.39 0.00 0.00 4.76 -1.19 -5.04 118.16 114.05 2qan n LYS 63 Ca 0.12 -3.90 0.00 0.00 -2.87 0.00 0.00 58.31 51.66 2qan n LYS 63 Cb 0.76 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 2qan n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qan n GLY 64 N 1.61 1.78 6.28 0.72 0.00 -1.19 -4.84 105.19 109.55 2qan n GLY 64 Ca 0.25 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2qan n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qan n LEU 65 N 0.00 0.00 0.01 0.99 7.94 -1.26 -0.03 117.00 124.65 2qan n LEU 65 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 2qan n LEU 65 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 2qan n LEU 65 CO 0.00 0.00 0.19 0.40 -1.11 0.00 0.00 177.39 176.87 2qan h ILE 66 N 0.00 0.51 -2.69 1.96 5.03 -1.85 -3.50 117.51 116.97 2qan h ILE 66 Ca 0.00 -1.21 0.30 0.00 -0.12 0.00 0.00 64.86 63.83 2qan h ILE 66 Cb 0.00 0.92 -0.10 0.00 -3.03 0.00 0.00 36.82 34.61 2qan h ILE 66 CO 0.00 0.16 -0.56 1.57 -0.68 0.00 0.00 178.15 178.63 2qan n HIS 67 N -4.84 -2.87 -3.79 1.37 -0.00 0.96 -4.81 115.22 101.24 2qan n HIS 67 Ca -0.05 1.47 0.00 0.00 0.46 0.00 0.00 57.72 59.60 2qan n HIS 67 Cb 0.18 -2.61 0.00 0.00 -0.12 0.00 0.00 29.99 27.44 2qan n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2qan n LYS 68 N -3.61 0.00 0.00 1.57 4.76 -1.26 -3.56 118.16 116.06 2qan n LYS 68 Ca -0.01 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.55 2qan n LYS 68 Cb 0.64 0.00 0.68 0.00 -1.84 0.00 0.00 35.03 34.50 2qan n LYS 68 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2qan n ASN 69 N -3.24 0.00 -0.37 4.39 6.94 -1.26 -4.16 115.26 117.55 2qan n ASN 69 Ca 0.00 -0.32 -0.06 0.00 -0.02 0.00 0.00 54.58 54.18 2qan n ASN 69 Cb 0.00 -0.19 -0.03 0.00 -2.36 0.00 0.00 39.78 37.20 2qan n ASN 69 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2qan h LYS 70 N 0.00 -0.04 -0.26 -3.83 3.64 -1.87 0.33 116.57 114.54 2qan h LYS 70 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2qan h LYS 70 Cb 0.16 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2qan h LYS 70 CO 0.00 -0.03 0.02 0.00 -2.27 0.00 0.00 179.45 177.18 2qan h ALA 71 N 0.88 0.35 -0.54 5.00 0.00 -1.77 -1.92 119.26 121.26 2qan h ALA 71 Ca 0.24 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.05 2qan h ALA 71 Cb 0.51 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 2qan h ALA 71 CO -0.92 0.06 -0.29 0.00 0.00 0.00 0.00 179.25 178.11 2qan h ALA 72 N 0.84 0.03 -0.21 0.00 0.00 -0.99 -0.43 119.26 118.50 2qan h ALA 72 Ca 0.08 0.17 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 2qan h ALA 72 Cb 0.38 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2qan h ALA 72 CO 0.01 -0.63 -0.40 0.07 0.00 0.00 0.00 179.25 178.31 2qan h ARG 73 N -0.15 0.49 -1.26 0.00 0.11 -0.46 -2.64 114.38 110.48 2qan h ARG 73 Ca 0.23 -0.24 0.36 0.00 0.10 0.00 0.00 59.98 60.43 2qan h ARG 73 Cb 0.52 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.55 2qan h ARG 73 CO -0.63 0.81 0.90 0.45 0.10 0.00 0.00 179.97 181.60 2qan h HIS 74 N 0.41 0.01 0.16 4.08 3.86 -0.25 0.04 115.15 123.46 2qan h HIS 74 Ca 0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2qan h HIS 74 Cb 0.87 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.34 2qan h HIS 74 CO 0.03 -0.00 -0.08 0.87 0.86 0.00 0.00 177.93 179.62 2qan h LYS 75 N 0.01 -0.20 -0.54 2.45 1.57 -1.15 -3.11 116.57 115.59 2qan h LYS 75 Ca 0.60 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.44 2qan h LYS 75 Cb 2.39 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 34.68 2qan h LYS 75 CO -0.01 -0.14 -0.32 0.00 -0.57 0.00 0.00 179.45 178.41 2qan n ALA 76 N -2.66 -0.35 -0.03 3.86 0.00 -0.04 -0.11 120.51 121.17 2qan n ALA 76 Ca -0.03 0.46 -0.11 0.00 0.00 0.00 0.00 53.44 53.77 2qan n ALA 76 Cb 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 2qan n ALA 76 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2qan h ASN 77 N 0.00 0.19 -0.84 0.00 7.08 -1.63 0.12 115.58 120.50 2qan h ASN 77 Ca 0.09 -0.13 0.11 0.00 -3.08 0.00 0.00 56.30 53.29 2qan h ASN 77 Cb 0.22 -0.05 -0.08 0.00 -2.08 0.00 0.00 38.32 36.33 2qan h ASN 77 CO -0.51 0.27 0.47 0.25 -2.08 0.00 0.00 177.43 175.83 2qan h LEU 78 N 0.11 0.66 0.46 6.14 6.46 -1.11 -1.40 115.31 126.63 2qan h LEU 78 Ca 0.05 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 2qan h LEU 78 Cb 0.13 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 2qan h LEU 78 CO -0.01 0.35 -0.22 0.74 -0.62 0.00 0.00 178.44 178.69 2qan h THR 79 N 0.76 0.00 -0.43 1.05 2.02 -0.33 -2.68 112.91 113.31 2qan h THR 79 Ca 0.42 -0.55 0.12 0.00 0.77 0.00 0.00 66.41 67.17 2qan h THR 79 Cb 0.44 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 2qan h THR 79 CO -0.28 0.00 0.81 0.00 0.37 0.00 0.00 175.52 176.43 2qan h ALA 80 N -1.17 2.21 0.10 6.16 0.00 -0.58 0.28 119.26 126.26 2qan h ALA 80 Ca -0.06 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 2qan h ALA 80 Cb 0.47 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2qan h ALA 80 CO 0.10 -1.03 -1.31 1.96 0.00 0.00 0.00 179.25 178.97 2qan h GLN 81 N 0.00 0.21 0.00 0.00 4.20 -1.22 -3.31 115.11 114.99 2qan h GLN 81 Ca 0.20 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2qan h GLN 81 Cb 1.83 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.73 2qan h GLN 81 CO -0.00 1.17 -0.06 -0.84 -0.67 0.00 0.00 178.83 178.43 2qan h ILE 82 N -0.41 0.20 -0.03 2.54 3.07 -0.21 0.10 117.51 122.78 2qan h ILE 82 Ca -0.29 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.62 2qan h ILE 82 Cb 1.67 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 39.63 2qan h ILE 82 CO 0.03 0.06 0.00 0.59 -1.05 0.00 0.00 178.15 177.78 2qan n ASN 83 N -3.25 0.28 -0.59 2.16 3.02 0.11 -3.49 115.26 113.50 2qan n ASN 83 Ca -0.01 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 2qan n ASN 83 Cb 0.26 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.41 2qan n ASN 83 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qan n LYS 84 N -0.58 0.00 -0.12 3.52 5.02 0.25 -4.91 118.16 121.34 2qan n LYS 84 Ca 0.13 -0.79 -0.17 0.00 -2.02 0.00 0.00 58.31 55.47 2qan n LYS 84 Cb 0.10 -0.29 -0.11 0.00 -0.02 0.00 0.00 35.03 34.72 2qan n LYS 84 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2qan n LEU 85 N 0.04 2.91 0.00 -0.35 -0.00 -0.55 -5.03 117.00 114.01 2qan n LEU 85 Ca -0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2qan n LEU 85 Cb 0.68 -0.80 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 2qan n LEU 85 CO -0.01 0.87 0.00 0.00 -0.00 0.00 0.00 177.39 178.25