#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf n ILE 3 N 0.00 -0.03 -3.29 -1.44 5.41 -1.26 -4.79 119.36 113.97 2qbf n ILE 3 Ca 0.00 -0.61 0.03 0.00 1.00 0.00 0.00 62.75 63.17 2qbf n ILE 3 Cb 0.00 -2.27 -0.03 0.00 -0.71 0.00 0.00 39.64 36.64 2qbf n ILE 3 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2qbf s LYS 4 N 8.71 0.36 0.34 0.38 -0.14 -1.26 -5.04 119.74 123.09 2qbf s LYS 4 Ca 0.95 0.75 0.23 0.00 -1.36 0.00 0.00 55.97 56.54 2qbf s LYS 4 Cb -0.15 0.44 1.20 0.00 -1.68 0.00 0.00 37.83 37.63 2qbf s LYS 4 CO 0.15 -0.27 1.32 -1.13 -0.76 0.00 0.00 175.35 174.65 2qbf n SER 5 N 5.30 0.23 0.00 2.83 3.41 -1.26 0.22 113.62 124.35 2qbf n SER 5 Ca -0.07 1.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 2qbf n SER 5 Cb 0.52 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2qbf n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbf n ALA 6 N -2.46 1.32 0.00 7.33 0.00 -1.26 -2.18 120.51 123.25 2qbf n ALA 6 Ca 0.33 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.95 2qbf n ALA 6 Cb 1.21 -0.94 0.65 0.00 0.00 0.00 0.00 19.45 20.37 2qbf n ALA 6 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qbf h LYS 7 N 0.00 0.07 -0.99 0.00 3.64 0.25 -1.17 116.57 118.38 2qbf h LYS 7 Ca 0.00 -0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.58 2qbf h LYS 7 Cb 0.01 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.72 2qbf h LYS 7 CO 0.00 0.05 0.62 -0.22 -2.27 0.00 0.00 179.45 177.63 2qbf h LYS 8 N 0.08 0.63 -0.66 1.90 3.64 -1.68 0.09 116.57 120.57 2qbf h LYS 8 Ca 0.24 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.71 2qbf h LYS 8 Cb 0.86 -0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 32.44 2qbf h LYS 8 CO -0.02 0.42 0.16 -0.09 -2.27 0.00 0.00 179.45 177.65 2qbf h ARG 9 N 0.65 0.28 -0.90 1.90 9.65 -1.48 -0.65 114.38 123.82 2qbf h ARG 9 Ca 0.56 -0.02 0.24 0.00 -1.10 0.00 0.00 59.98 59.67 2qbf h ARG 9 Cb 1.03 -0.06 -0.14 0.00 -1.39 0.00 0.00 29.97 29.41 2qbf h ARG 9 CO -0.33 0.19 0.32 0.00 2.80 0.00 0.00 179.97 182.94 2qbf h ALA 10 N 1.52 1.41 -0.10 2.80 0.00 -1.13 0.12 119.26 123.89 2qbf h ALA 10 Ca 0.35 0.20 -0.18 0.00 0.00 0.00 0.00 54.91 55.29 2qbf h ALA 10 Cb 0.55 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2qbf h ALA 10 CO -0.43 -0.45 -0.65 0.82 0.00 0.00 0.00 179.25 178.54 2qbf h ILE 11 N 0.27 1.34 0.40 0.00 2.04 -1.23 -2.23 117.51 118.09 2qbf h ILE 11 Ca 0.58 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 2qbf h ILE 11 Cb 1.18 2.20 -0.03 0.00 -0.74 0.00 0.00 36.82 39.43 2qbf h ILE 11 CO -0.62 0.59 -0.51 1.56 0.00 0.00 0.00 178.15 179.18 2qbf h GLN 12 N 0.24 -0.89 -0.68 2.37 4.20 -0.11 0.26 115.11 120.51 2qbf h GLN 12 Ca -0.05 0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.76 2qbf h GLN 12 Cb 1.30 0.20 -0.05 0.00 0.30 0.00 0.00 27.48 29.23 2qbf h GLN 12 CO 0.13 -0.60 0.40 0.66 -0.67 0.00 0.00 178.83 178.76 2qbf h SER 13 N -0.93 0.63 0.60 1.46 4.64 -1.08 0.15 113.55 119.02 2qbf h SER 13 Ca -0.05 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 2qbf h SER 13 Cb 0.83 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2qbf h SER 13 CO -0.12 0.42 -0.39 -0.08 -0.87 0.00 0.00 176.83 175.79 2qbf h GLU 14 N 0.76 -0.91 -0.78 4.77 4.22 -0.98 0.75 114.58 122.40 2qbf h GLU 14 Ca 0.29 0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.80 2qbf h GLU 14 Cb 0.10 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2qbf h GLU 14 CO -0.14 -0.61 0.52 0.87 -2.18 0.00 0.00 179.01 177.47 2qbf h LYS 15 N -0.95 1.02 -0.74 1.92 1.79 -0.34 -1.72 116.57 117.54 2qbf h LYS 15 Ca -0.07 -0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2qbf h LYS 15 Cb 0.78 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 31.16 2qbf h LYS 15 CO 0.05 0.67 0.49 0.00 -1.08 0.00 0.00 179.45 179.59 2qbf h ALA 16 N 1.29 1.51 -0.78 3.86 0.00 -0.77 -1.85 119.26 122.53 2qbf h ALA 16 Ca 0.29 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2qbf h ALA 16 Cb -0.11 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.35 2qbf h ALA 16 CO -0.07 0.44 0.49 -0.09 0.00 0.00 0.00 179.25 180.02 2qbf h ARG 17 N 0.97 0.92 -0.86 0.00 1.12 0.08 0.39 114.38 117.01 2qbf h ARG 17 Ca 0.28 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 59.08 2qbf h ARG 17 Cb -0.05 -0.21 -0.04 0.00 -0.01 0.00 0.00 29.97 29.66 2qbf h ARG 17 CO -0.07 0.61 0.46 0.87 -3.11 0.00 0.00 179.97 178.73 2qbf h LYS 18 N 0.95 1.20 0.38 0.20 1.57 -1.10 -0.67 116.57 119.11 2qbf h LYS 18 Ca 0.31 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2qbf h LYS 18 Cb 0.03 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.12 2qbf h LYS 18 CO -0.12 0.89 -0.18 1.25 -0.57 0.00 0.00 179.45 180.72 2qbf h HIS 19 N 1.20 -0.48 -0.86 -1.35 2.76 -1.04 -3.10 115.15 112.28 2qbf h HIS 19 Ca 0.30 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.62 2qbf h HIS 19 Cb 0.05 0.16 -0.10 0.00 1.55 0.00 0.00 27.41 29.06 2qbf h HIS 19 CO 0.01 -0.15 0.43 -0.91 -1.30 0.00 0.00 177.93 176.01 2qbf h ASN 20 N -0.84 0.50 -0.03 3.26 4.21 -0.85 -2.50 115.58 119.33 2qbf h ASN 20 Ca -0.05 0.10 0.01 0.00 1.21 0.00 0.00 56.30 57.57 2qbf h ASN 20 Cb 0.54 0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.74 2qbf h ASN 20 CO 0.09 0.18 -0.28 0.00 -1.29 0.00 0.00 177.43 176.13 2qbf h ALA 21 N 1.59 -0.70 -0.59 -0.83 0.00 -1.07 0.28 119.26 117.95 2qbf h ALA 21 Ca 0.49 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.48 2qbf h ALA 21 Cb 0.74 0.77 -0.11 0.00 0.00 0.00 0.00 17.79 19.19 2qbf h ALA 21 CO -0.40 -0.79 -0.11 0.66 0.00 0.00 0.00 179.25 178.61 2qbf h SER 22 N -0.32 -0.48 -0.91 0.00 4.64 -1.40 0.89 113.55 115.96 2qbf h SER 22 Ca 0.01 0.17 0.10 0.00 -0.47 0.00 0.00 61.79 61.60 2qbf h SER 22 Cb 0.36 0.34 -0.08 0.00 -0.31 0.00 0.00 62.40 62.71 2qbf h SER 22 CO -0.20 -0.17 0.56 0.03 -0.87 0.00 0.00 176.83 176.17 2qbf h ARG 23 N 0.03 0.90 -0.01 4.77 2.47 -0.99 -0.99 114.38 120.54 2qbf h ARG 23 Ca 0.29 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 2qbf h ARG 23 Cb 0.45 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2qbf h ARG 23 CO -0.58 0.59 -0.03 -0.09 0.56 0.00 0.00 179.97 180.42 2qbf h ARG 24 N 0.92 0.04 -0.42 0.04 2.43 0.26 -2.87 114.38 114.78 2qbf h ARG 24 Ca 0.44 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.66 2qbf h ARG 24 Cb 0.38 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.84 2qbf h ARG 24 CO -0.24 0.65 -0.23 0.77 -1.51 0.00 0.00 179.97 179.40 2qbf h SER 25 N -0.55 -0.79 -0.64 -3.80 0.02 0.11 0.13 113.55 108.04 2qbf h SER 25 Ca -0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2qbf h SER 25 Cb 0.65 0.41 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 2qbf h SER 25 CO 0.01 -0.26 0.41 -0.03 -1.14 0.00 0.00 176.83 175.82 2qbf h MET 26 N -0.15 0.84 0.22 3.45 1.85 -1.28 -2.09 114.93 117.77 2qbf h MET 26 Ca 0.20 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.22 2qbf h MET 26 Cb 0.47 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.31 2qbf h MET 26 CO -0.52 0.57 -0.11 1.98 -0.40 0.00 0.00 176.91 178.44 2qbf h MET 27 N 0.86 -0.29 -0.61 0.39 -1.53 -1.07 -1.97 114.93 110.72 2qbf h MET 27 Ca 0.23 0.02 0.13 0.00 -3.44 0.00 0.00 59.70 56.64 2qbf h MET 27 Cb -0.08 0.07 -0.10 0.00 -0.55 0.00 0.00 31.60 30.93 2qbf h MET 27 CO -0.05 -0.10 0.00 0.00 0.14 0.00 0.00 176.91 176.90 2qbf h ARG 28 N -0.42 0.11 -0.09 0.39 2.47 -0.65 -2.09 114.38 114.11 2qbf h ARG 28 Ca -0.03 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2qbf h ARG 28 Cb 0.32 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2qbf h ARG 28 CO 0.05 0.07 0.03 1.79 0.56 0.00 0.00 179.97 182.48 2qbf h THR 29 N 0.12 1.15 -0.63 2.04 1.35 -1.25 -2.85 112.91 112.83 2qbf h THR 29 Ca 0.32 -0.45 0.07 0.00 -0.55 0.00 0.00 66.41 65.81 2qbf h THR 29 Cb 0.51 1.28 -0.04 0.00 -1.73 0.00 0.00 68.15 68.18 2qbf h THR 29 CO -0.52 0.13 0.42 -0.26 -0.25 0.00 0.00 175.52 175.03 2qbf h PHE 30 N -0.02 0.58 0.00 4.73 -1.00 -0.95 -0.92 116.94 119.37 2qbf h PHE 30 Ca 0.03 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 2qbf h PHE 30 Cb 0.18 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 2qbf h PHE 30 CO -0.01 0.30 -0.37 0.82 -1.61 0.00 0.00 178.31 177.44 2qbf h ILE 31 N 0.57 1.24 -0.16 -0.55 2.04 -1.20 -3.12 117.51 116.33 2qbf h ILE 31 Ca 0.28 -1.27 -0.22 0.00 1.00 0.00 0.00 64.86 64.65 2qbf h ILE 31 Cb 0.36 1.69 0.01 0.00 -0.74 0.00 0.00 36.82 38.14 2qbf h ILE 31 CO -0.09 0.36 -0.76 0.11 0.00 0.00 0.00 178.15 177.77 2qbf h LYS 32 N 0.00 0.79 -1.15 2.37 1.57 -0.95 -3.03 116.57 116.17 2qbf h LYS 32 Ca -0.00 -0.63 0.33 0.00 -1.87 0.00 0.00 60.65 58.47 2qbf h LYS 32 Cb 0.66 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.04 2qbf h LYS 32 CO 0.05 1.24 0.81 0.87 -0.57 0.00 0.00 179.45 181.85 2qbf h LYS 33 N 0.54 0.06 -0.13 3.15 1.57 -1.44 0.96 116.57 121.29 2qbf h LYS 33 Ca -0.05 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 2qbf h LYS 33 Cb 1.39 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.68 2qbf h LYS 33 CO 0.16 0.04 -0.38 0.28 -0.57 0.00 0.00 179.45 178.98 2qbf h VAL 34 N 0.07 1.37 -0.49 0.50 2.07 -1.65 -1.43 116.25 116.68 2qbf h VAL 34 Ca 0.56 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 2qbf h VAL 34 Cb 2.11 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.94 2qbf h VAL 34 CO -0.06 0.50 0.16 0.10 0.02 0.00 0.00 177.57 178.29 2qbf h TYR 35 N 0.10 0.79 0.03 1.57 -0.00 0.69 0.31 116.97 120.46 2qbf h TYR 35 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 58.73 58.64 2qbf h TYR 35 Cb 1.00 -0.23 0.00 0.00 0.00 0.00 0.00 36.73 37.50 2qbf h TYR 35 CO 0.11 0.69 -0.01 0.00 -0.00 0.00 0.00 178.16 178.94 2qbf h ALA 36 N 1.01 -0.04 0.28 0.10 0.00 -0.14 0.13 119.26 120.60 2qbf h ALA 36 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qbf h ALA 36 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qbf h ALA 36 CO -0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 179.25 178.63 2qbf h ALA 37 N 0.86 -0.38 -0.56 0.00 0.00 -1.15 0.91 119.26 118.94 2qbf h ALA 37 Ca -0.00 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.92 2qbf h ALA 37 Cb 0.10 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2qbf h ALA 37 CO 0.01 -0.61 0.40 0.97 0.00 0.00 0.00 179.25 180.02 2qbf h ILE 38 N -0.59 0.73 0.01 0.00 -0.00 -0.34 -0.49 117.51 116.83 2qbf h ILE 38 Ca -0.04 -0.01 -0.28 0.00 -0.00 0.00 0.00 64.86 64.53 2qbf h ILE 38 Cb 0.43 0.70 -0.04 0.00 -0.00 0.00 0.00 36.82 37.90 2qbf h ILE 38 CO 0.06 0.00 -1.61 -0.08 -0.00 0.00 0.00 178.15 176.53 2qbf h GLU 39 N 0.02 0.02 -0.00 2.19 4.22 -0.36 -3.32 114.58 117.35 2qbf h GLU 39 Ca 0.27 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.67 2qbf h GLU 39 Cb 1.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2qbf h GLU 39 CO -0.01 0.62 0.00 0.00 -2.18 0.00 0.00 179.01 177.44 2qbf n ALA 40 N -2.55 2.38 -3.24 2.92 0.00 0.31 -4.87 120.51 115.46 2qbf n ALA 40 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 2qbf n ALA 40 Cb 1.04 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 19.56 2qbf n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbf n GLY 41 N 0.38 -0.81 2.30 0.00 0.00 -1.02 -4.99 105.19 101.05 2qbf n GLY 41 Ca 0.00 0.38 -0.22 0.00 0.00 0.00 0.00 46.02 46.18 2qbf n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qbf n ASP 42 N -3.11 -0.39 -0.49 1.61 -0.08 -1.06 -4.97 116.55 108.05 2qbf n ASP 42 Ca -0.14 -2.72 0.42 0.00 -1.51 0.00 0.00 54.79 50.84 2qbf n ASP 42 Cb 0.63 -0.27 0.76 0.00 2.34 0.00 0.00 41.12 44.58 2qbf n ASP 42 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2qbf h LYS 43 N 4.27 0.03 0.00 -0.67 -0.00 -1.91 -0.86 116.57 117.42 2qbf h LYS 43 Ca 0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.72 2qbf h LYS 43 Cb 0.91 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.13 2qbf h LYS 43 CO 0.42 0.02 0.00 0.00 -0.00 0.00 0.00 179.45 179.89 2qbf n ALA 44 N -2.78 -0.35 -0.19 0.07 0.00 -1.26 -2.18 120.51 113.81 2qbf n ALA 44 Ca 0.35 0.00 0.29 0.00 0.00 0.00 0.00 53.44 54.08 2qbf n ALA 44 Cb 1.56 0.00 0.73 0.00 0.00 0.00 0.00 19.45 21.74 2qbf n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbf h ALA 45 N -2.00 2.86 0.29 0.00 0.00 -1.74 -0.64 119.26 118.04 2qbf h ALA 45 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2qbf h ALA 45 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qbf h ALA 45 CO 0.00 -1.14 -0.14 0.00 0.00 0.00 0.00 179.25 177.97 2qbf h ALA 46 N 1.53 -0.39 0.06 0.00 0.00 -1.17 -2.78 119.26 116.51 2qbf h ALA 46 Ca 0.43 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2qbf h ALA 46 Cb 1.76 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.65 2qbf h ALA 46 CO -0.00 -0.63 -0.53 1.96 0.00 0.00 0.00 179.25 180.04 2qbf h GLN 47 N -0.55 -0.69 -0.63 0.00 1.08 -0.62 -1.24 115.11 112.46 2qbf h GLN 47 Ca -0.04 0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 2qbf h GLN 47 Cb 0.41 0.16 -0.08 0.00 -0.05 0.00 0.00 27.48 27.92 2qbf h GLN 47 CO 0.07 -0.46 -0.37 1.17 -0.95 0.00 0.00 178.83 178.28 2qbf n LYS 48 N -5.46 -0.28 -0.24 1.46 3.00 -1.07 -0.10 118.16 115.46 2qbf n LYS 48 Ca -0.08 1.28 0.10 0.00 -0.00 0.00 0.00 58.31 59.61 2qbf n LYS 48 Cb 0.40 -1.89 0.37 0.00 0.00 0.00 0.00 35.03 33.91 2qbf n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbf h ALA 49 N -0.01 1.80 0.19 3.14 0.00 -1.25 -0.94 119.26 122.18 2qbf h ALA 49 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qbf h ALA 49 Cb 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qbf h ALA 49 CO -0.59 0.00 -0.09 0.35 0.00 0.00 0.00 179.25 178.92 2qbf h PHE 50 N 0.72 -0.23 0.00 0.00 3.04 0.73 0.28 116.94 121.46 2qbf h PHE 50 Ca 0.41 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.35 2qbf h PHE 50 Cb 0.58 0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.17 2qbf h PHE 50 CO -0.00 -0.06 0.00 -0.91 -2.02 0.00 0.00 178.31 175.31 2qbf h ASN 51 N -0.35 0.00 1.36 0.41 4.21 -0.56 0.52 115.58 121.17 2qbf h ASN 51 Ca -0.03 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.39 2qbf h ASN 51 Cb 0.27 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 2qbf h ASN 51 CO 0.04 0.00 -0.66 -0.08 -1.29 0.00 0.00 177.43 175.44 2qbf h GLU 52 N 0.00 0.00 0.00 0.81 4.81 -0.17 -3.35 114.58 116.68 2qbf h GLU 52 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2qbf h GLU 52 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2qbf h GLU 52 CO 0.00 0.34 -1.75 0.00 -0.73 0.00 0.00 179.01 176.87 2qbf n MET 53 N -3.09 0.66 -0.19 1.92 0.00 -0.01 -4.43 117.12 111.97 2qbf n MET 53 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 57.70 57.55 2qbf n MET 53 Cb 0.71 -1.37 0.04 0.00 0.00 0.00 0.00 33.22 32.60 2qbf n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2qbf h GLN 54 N 0.00 -0.08 -0.22 3.17 4.15 -0.18 0.99 115.11 122.93 2qbf h GLN 54 Ca -0.06 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.24 2qbf h GLN 54 Cb 0.90 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.60 2qbf h GLN 54 CO 0.00 -0.05 -0.36 -1.00 -1.93 0.00 0.00 178.83 175.49 2qbf h PRO 55 N -0.08 0.49 0.17 -2.39 0.13 -1.81 -1.92 132.00 126.58 2qbf h PRO 55 Ca 0.26 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2qbf h PRO 55 Cb 0.50 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2qbf h PRO 55 CO -0.63 0.78 -0.16 0.82 -0.23 0.00 0.00 178.00 178.58 2qbf h ILE 56 N 0.41 0.64 0.05 -3.56 2.04 -1.18 0.22 117.51 116.14 2qbf h ILE 56 Ca 0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 2qbf h ILE 56 Cb 0.82 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2qbf h ILE 56 CO 0.07 0.00 -0.02 -0.37 0.00 0.00 0.00 178.15 177.82 2qbf h VAL 57 N -0.35 1.15 -0.79 1.67 -1.51 -0.89 -0.63 116.25 114.90 2qbf h VAL 57 Ca 0.00 -0.67 0.09 0.00 -1.23 0.00 0.00 66.70 64.89 2qbf h VAL 57 Cb 0.33 1.59 -0.07 0.00 -2.13 0.00 0.00 31.29 31.02 2qbf h VAL 57 CO -0.04 0.17 0.45 0.44 -1.23 0.00 0.00 177.57 177.35 2qbf h ASP 58 N -0.36 0.64 0.55 4.19 3.32 -1.29 -1.18 116.42 122.29 2qbf h ASP 58 Ca -0.01 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2qbf h ASP 58 Cb 0.33 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.80 2qbf h ASP 58 CO 0.01 0.37 -0.26 -0.09 -1.72 0.00 0.00 179.24 177.55 2qbf h ARG 59 N 0.76 -0.71 -1.25 3.56 2.43 -0.47 -2.77 114.38 115.93 2qbf h ARG 59 Ca 0.38 0.05 0.37 0.00 -0.81 0.00 0.00 59.98 59.97 2qbf h ARG 59 Cb 0.33 0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 29.94 2qbf h ARG 59 CO -0.24 -0.47 0.83 1.96 -1.51 0.00 0.00 179.97 180.54 2qbf h GLN 60 N -0.89 0.17 0.25 0.20 1.08 -0.97 0.12 115.11 115.08 2qbf h GLN 60 Ca -0.08 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2qbf h GLN 60 Cb 0.57 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2qbf h GLN 60 CO 0.12 0.11 -0.12 0.00 -0.95 0.00 0.00 178.83 177.99 2qbf h ALA 61 N 1.54 -0.34 -1.00 3.87 0.00 -1.14 -3.09 119.26 119.10 2qbf h ALA 61 Ca 0.71 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.63 2qbf h ALA 61 Cb 2.25 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 20.07 2qbf h ALA 61 CO -0.29 -0.57 0.62 0.00 0.00 0.00 0.00 179.25 179.01 2qbf h ALA 62 N 0.08 1.60 -0.84 0.00 0.00 -0.48 -2.44 119.26 117.18 2qbf h ALA 62 Ca -0.03 0.06 -0.68 0.00 0.00 0.00 0.00 54.91 54.25 2qbf h ALA 62 Cb 0.43 -0.13 -0.22 0.00 0.00 0.00 0.00 17.79 17.86 2qbf h ALA 62 CO 0.06 0.06 0.95 1.63 0.00 0.00 0.00 179.25 181.95 2qbf n LYS 63 N -4.71 3.13 0.00 0.00 4.76 -0.90 -5.01 118.16 115.43 2qbf n LYS 63 Ca 0.21 -3.25 0.00 0.00 -2.87 0.00 0.00 58.31 52.41 2qbf n LYS 63 Cb 0.48 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 2qbf n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbf n GLY 64 N 0.22 3.40 6.53 0.72 0.00 -0.92 -4.82 105.19 110.31 2qbf n GLY 64 Ca 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2qbf n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbf n LEU 65 N 0.00 0.00 -0.01 0.99 7.94 -1.26 -0.16 117.00 124.49 2qbf n LEU 65 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 2qbf n LEU 65 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 2qbf n LEU 65 CO 0.00 0.00 0.02 0.40 -1.11 0.00 0.00 177.39 176.70 2qbf h ILE 66 N 0.00 0.00 -1.88 1.96 5.03 -1.85 -3.50 117.51 117.27 2qbf h ILE 66 Ca 0.00 -0.61 0.16 0.00 -0.12 0.00 0.00 64.86 64.30 2qbf h ILE 66 Cb 0.00 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 33.75 2qbf h ILE 66 CO 0.00 0.00 -0.22 1.57 -0.68 0.00 0.00 178.15 178.82 2qbf n HIS 67 N -3.80 -2.56 -4.93 1.37 -0.00 0.77 -4.87 115.22 101.20 2qbf n HIS 67 Ca -0.00 0.75 0.00 0.00 0.46 0.00 0.00 57.72 58.93 2qbf n HIS 67 Cb 0.02 -1.31 0.00 0.00 -0.12 0.00 0.00 29.99 28.57 2qbf n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2qbf n LYS 68 N -2.40 0.00 0.00 1.57 4.76 -1.26 -3.53 118.16 117.29 2qbf n LYS 68 Ca 0.00 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.51 2qbf n LYS 68 Cb 0.28 0.00 0.37 0.00 -1.84 0.00 0.00 35.03 33.84 2qbf n LYS 68 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2qbf n ASN 69 N -3.01 0.00 0.11 4.39 6.94 -1.26 -3.99 115.26 118.43 2qbf n ASN 69 Ca 0.00 -1.27 -0.12 0.00 -0.02 0.00 0.00 54.58 53.17 2qbf n ASN 69 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 2qbf n ASN 69 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2qbf h LYS 70 N 0.00 -0.30 -0.70 -3.83 3.64 -1.89 0.08 116.57 113.58 2qbf h LYS 70 Ca 0.00 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 2qbf h LYS 70 Cb 0.00 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2qbf h LYS 70 CO 0.00 -0.20 0.18 0.00 -2.27 0.00 0.00 179.45 177.16 2qbf h ALA 71 N 0.54 0.99 -0.47 5.00 0.00 -1.76 -2.15 119.26 121.41 2qbf h ALA 71 Ca 0.01 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2qbf h ALA 71 Cb 0.31 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2qbf h ALA 71 CO -0.06 0.66 0.20 0.00 0.00 0.00 0.00 179.25 180.05 2qbf h ALA 72 N 1.13 0.59 -0.36 0.00 0.00 -1.66 -2.53 119.26 116.42 2qbf h ALA 72 Ca 0.22 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2qbf h ALA 72 Cb 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2qbf h ALA 72 CO 0.00 -0.17 -0.43 0.07 0.00 0.00 0.00 179.25 178.72 2qbf h ARG 73 N 0.40 0.93 -0.76 0.00 0.11 -0.84 -2.51 114.38 111.72 2qbf h ARG 73 Ca 0.22 -0.52 0.14 0.00 0.10 0.00 0.00 59.98 59.92 2qbf h ARG 73 Cb 0.17 0.03 -0.14 0.00 1.11 0.00 0.00 29.97 31.14 2qbf h ARG 73 CO -0.19 1.17 -0.25 0.45 0.10 0.00 0.00 179.97 181.25 2qbf h HIS 74 N 0.75 -0.63 -0.13 4.08 3.86 -0.98 0.40 115.15 122.50 2qbf h HIS 74 Ca 0.05 0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2qbf h HIS 74 Cb 1.03 0.39 -0.01 0.00 1.06 0.00 0.00 27.41 29.89 2qbf h HIS 74 CO 0.07 -0.36 0.08 0.87 0.86 0.00 0.00 177.93 179.45 2qbf h LYS 75 N -0.04 0.17 -0.87 2.45 1.57 -1.40 -2.49 116.57 115.96 2qbf h LYS 75 Ca 0.33 -0.02 0.22 0.00 -1.87 0.00 0.00 60.65 59.32 2qbf h LYS 75 Cb 0.57 -0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.69 2qbf h LYS 75 CO -0.79 0.16 0.07 0.00 -0.57 0.00 0.00 179.45 178.32 2qbf h ALA 76 N 1.01 1.05 0.16 3.86 0.00 0.20 0.04 119.26 125.57 2qbf h ALA 76 Ca 0.05 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2qbf h ALA 76 Cb 0.03 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2qbf h ALA 76 CO -0.01 -0.48 -0.08 -0.91 0.00 0.00 0.00 179.25 177.77 2qbf h ASN 77 N 0.10 -0.18 -0.44 0.00 4.21 -1.09 -1.60 115.58 116.59 2qbf h ASN 77 Ca 0.51 -0.09 0.13 0.00 1.21 0.00 0.00 56.30 58.06 2qbf h ASN 77 Cb 1.00 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 38.23 2qbf h ASN 77 CO -0.75 0.33 0.63 -0.07 -1.29 0.00 0.00 177.43 176.28 2qbf h LEU 78 N -1.04 0.00 0.00 1.61 3.38 -1.24 0.41 115.31 118.43 2qbf h LEU 78 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2qbf h LEU 78 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2qbf h LEU 78 CO 0.04 0.00 -0.65 0.74 0.09 0.00 0.00 178.44 178.66 2qbf h THR 79 N 0.00 1.22 0.00 0.22 2.02 -1.04 -2.82 112.91 112.52 2qbf h THR 79 Ca 0.21 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.23 2qbf h THR 79 Cb 1.47 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.43 2qbf h THR 79 CO -0.00 0.41 0.05 0.00 0.37 0.00 0.00 175.52 176.35 2qbf h ALA 80 N -0.32 1.04 0.07 6.16 0.00 0.04 -2.26 119.26 124.00 2qbf h ALA 80 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.38 2qbf h ALA 80 Cb 1.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2qbf h ALA 80 CO -0.11 -0.04 -2.01 1.04 0.00 0.00 0.00 179.25 178.13 2qbf n GLN 81 N -2.89 0.70 0.00 0.00 6.02 -0.14 -3.91 117.38 117.16 2qbf n GLN 81 Ca -0.03 0.29 0.07 0.00 -0.01 0.00 0.00 57.00 57.33 2qbf n GLN 81 Cb 0.10 -1.66 0.43 0.00 1.02 0.00 0.00 30.24 30.13 2qbf n GLN 81 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2qbf n ILE 82 N -3.64 0.05 0.10 5.09 -6.64 -0.91 -1.84 119.36 111.57 2qbf n ILE 82 Ca -0.36 0.01 -0.24 0.00 -1.77 0.00 0.00 62.75 60.39 2qbf n ILE 82 Cb 0.97 -0.78 -0.15 0.00 -1.44 0.00 0.00 39.64 38.23 2qbf n ILE 82 CO 0.00 0.00 0.00 0.78 -1.77 0.00 0.00 176.55 175.56 2qbf h ASN 83 N 0.00 0.72 -3.64 7.28 2.35 -1.54 -3.43 115.58 117.31 2qbf h ASN 83 Ca 0.00 -0.93 -0.65 0.00 -0.55 0.00 0.00 56.30 54.17 2qbf h ASN 83 Cb 0.01 -0.23 -0.40 0.00 0.05 0.00 0.00 38.32 37.75 2qbf h ASN 83 CO 0.00 1.74 -0.73 -0.54 -1.65 0.00 0.00 177.43 176.25 2qbf s LYS 84 N -2.58 1.42 0.00 0.81 3.01 -0.76 -4.77 119.74 116.86 2qbf s LYS 84 Ca -0.13 -1.76 0.00 0.00 -1.01 0.00 0.00 55.97 53.07 2qbf s LYS 84 Cb 0.05 -3.06 0.00 0.00 -1.01 0.00 0.00 37.83 33.81 2qbf s LYS 84 CO 0.89 -0.93 0.00 1.47 0.51 0.00 0.00 175.35 177.29 2qbf n LEU 85 N 4.33 0.00 0.00 3.17 -0.00 -1.26 -4.93 117.00 118.31 2qbf n LEU 85 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 2qbf n LEU 85 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 2qbf n LEU 85 CO 0.21 0.00 0.04 0.00 -0.00 0.00 0.00 177.39 177.64