#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf s LEU 3 N 0.00 3.22 0.37 -3.43 2.96 -1.26 -5.07 118.68 115.47 2qbf s LEU 3 Ca 0.00 -0.21 -0.28 0.00 -0.22 0.00 0.00 54.13 53.42 2qbf s LEU 3 Cb 0.00 -1.92 -0.11 0.00 0.50 0.00 0.00 46.19 44.66 2qbf s LEU 3 CO 0.00 0.23 1.50 -1.54 -1.32 0.00 0.00 176.35 175.22 2qbf n SER 4 N 1.08 3.81 -0.07 3.68 3.41 -1.26 -4.87 113.62 119.39 2qbf n SER 4 Ca -0.14 1.22 0.16 0.00 -0.26 0.00 0.00 58.87 59.86 2qbf n SER 4 Cb 0.52 -1.62 0.58 0.00 -0.26 0.00 0.00 64.21 63.43 2qbf n SER 4 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2qbf h THR 5 N 2.98 0.80 0.25 6.66 1.35 -1.99 -1.31 112.91 121.65 2qbf h THR 5 Ca -0.50 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 2qbf h THR 5 Cb 1.24 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2qbf h THR 5 CO 0.65 0.04 -0.12 -0.08 -0.25 0.00 0.00 175.52 175.76 2qbf h GLU 6 N 0.24 -0.33 -0.77 4.72 4.81 -2.00 -2.53 114.58 118.72 2qbf h GLU 6 Ca 0.29 0.02 0.22 0.00 -0.13 0.00 0.00 59.36 59.77 2qbf h GLU 6 Cb 0.83 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 2qbf h GLU 6 CO -0.06 -0.22 0.75 0.00 -0.73 0.00 0.00 179.01 178.76 2qbf h ALA 7 N -1.50 2.59 0.09 2.92 0.00 -1.90 -0.23 119.26 121.23 2qbf h ALA 7 Ca -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qbf h ALA 7 Cb 0.26 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qbf h ALA 7 CO 0.06 -1.15 -0.04 1.15 0.00 0.00 0.00 179.25 179.27 2qbf h THR 8 N 0.00 0.00 -1.01 0.00 2.02 -1.20 -2.46 112.91 110.27 2qbf h THR 8 Ca 0.36 -0.06 0.23 0.00 0.77 0.00 0.00 66.41 67.72 2qbf h THR 8 Cb 1.87 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.16 2qbf h THR 8 CO -0.00 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.49 2qbf h ALA 9 N -1.89 1.80 -0.18 6.16 0.00 -0.87 0.14 119.26 124.42 2qbf h ALA 9 Ca -0.01 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2qbf h ALA 9 Cb 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2qbf h ALA 9 CO 0.02 -0.23 -0.15 -0.22 0.00 0.00 0.00 179.25 178.67 2qbf h LYS 10 N 0.62 -0.15 0.00 0.00 1.63 -1.12 -2.01 116.57 115.55 2qbf h LYS 10 Ca 0.62 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 60.35 2qbf h LYS 10 Cb 1.15 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.80 2qbf h LYS 10 CO -0.43 -0.10 -0.38 0.97 -3.45 0.00 0.00 179.45 176.07 2qbf h ILE 11 N -0.15 0.84 0.00 2.00 2.10 -0.57 -2.84 117.51 118.88 2qbf h ILE 11 Ca 0.11 -1.57 0.00 0.00 1.08 0.00 0.00 64.86 64.48 2qbf h ILE 11 Cb 0.32 1.98 0.00 0.00 -1.09 0.00 0.00 36.82 38.03 2qbf h ILE 11 CO -0.28 0.37 0.00 0.58 -1.08 0.00 0.00 178.15 177.74 2qbf h VAL 12 N 0.00 0.00 0.03 2.19 2.07 -0.30 -2.89 116.25 117.35 2qbf h VAL 12 Ca -0.00 -0.26 -0.30 0.00 0.82 0.00 0.00 66.70 66.96 2qbf h VAL 12 Cb 0.95 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 2qbf h VAL 12 CO 0.05 0.00 -1.62 -1.20 0.02 0.00 0.00 177.57 174.82 2qbf n SER 13 N -2.97 1.94 0.32 0.57 7.64 -1.05 -1.15 113.62 118.92 2qbf n SER 13 Ca -0.01 0.35 0.20 0.00 1.01 0.00 0.00 58.87 60.42 2qbf n SER 13 Cb 0.19 -0.91 1.09 0.00 -1.01 0.00 0.00 64.21 63.58 2qbf n SER 13 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2qbf h GLU 14 N -0.72 0.00 0.00 1.43 5.08 -1.46 -3.19 114.58 115.72 2qbf h GLU 14 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2qbf h GLU 14 Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2qbf h GLU 14 CO -0.16 0.01 -0.65 1.19 -1.00 0.00 0.00 179.01 178.40 2qbf n PHE 15 N -3.30 0.00 -1.87 4.33 3.01 -1.10 -5.07 117.46 113.47 2qbf n PHE 15 Ca -0.03 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.05 2qbf n PHE 15 Cb 0.10 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.59 2qbf n PHE 15 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2qbf s GLY 16 N -1.33 2.89 0.10 1.37 0.00 -0.30 -4.41 107.32 105.64 2qbf s GLY 16 Ca 0.00 1.31 0.04 0.00 0.00 0.00 0.00 44.72 46.07 2qbf s GLY 16 CO 0.00 1.86 0.94 0.54 0.00 0.00 0.00 173.10 176.43 2qbf n ARG 17 N -0.64 0.03 0.00 2.90 5.12 -1.26 -4.60 116.66 118.20 2qbf n ARG 17 Ca 0.08 0.37 0.00 0.00 -1.93 0.00 0.00 57.85 56.37 2qbf n ARG 17 Cb 0.44 -1.84 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 2qbf n ARG 17 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2qbf n ASP 18 N -1.52 0.00 0.00 0.55 5.68 -1.26 -5.15 116.55 114.85 2qbf n ASP 18 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2qbf n ASP 18 Cb 0.26 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 2qbf n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qbf n ALA 19 N 0.00 0.00 0.00 2.12 0.00 -1.26 -4.81 120.51 116.56 2qbf n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbf n ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbf n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qbf n ASN 20 N 0.00 0.00 -4.73 0.00 5.15 -1.26 -4.92 115.26 109.50 2qbf n ASN 20 Ca 0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 2qbf n ASN 20 Cb 0.00 -0.60 -0.08 0.00 -0.53 0.00 0.00 39.78 38.57 2qbf n ASN 20 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2qbf s ASP 21 N -2.09 6.18 -0.02 1.20 -4.77 -1.26 -4.96 116.67 110.94 2qbf s ASP 21 Ca 0.00 0.23 0.03 0.00 -3.30 0.00 0.00 52.55 49.50 2qbf s ASP 21 Cb 0.00 -2.08 0.04 0.00 -1.09 0.00 0.00 42.92 39.79 2qbf s ASP 21 CO 0.00 0.18 0.91 0.35 0.70 0.00 0.00 175.17 177.31 2qbf n THR 22 N 3.50 0.85 0.25 2.11 -2.24 -1.26 -4.70 114.28 112.79 2qbf n THR 22 Ca -0.16 -0.91 0.11 0.00 -2.27 0.00 0.00 64.05 60.82 2qbf n THR 22 Cb 0.52 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 2qbf n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbf n GLY 23 N -0.50 -1.22 3.62 3.38 0.00 -1.26 -4.64 105.19 104.57 2qbf n GLY 23 Ca 0.02 -0.39 -0.56 0.00 0.00 0.00 0.00 46.02 45.09 2qbf n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qbf n SER 24 N -2.27 1.52 -0.09 1.61 2.88 -1.26 -4.77 113.62 111.23 2qbf n SER 24 Ca -0.00 1.12 -0.07 0.00 -1.33 0.00 0.00 58.87 58.58 2qbf n SER 24 Cb 0.51 -1.10 -0.01 0.00 -0.75 0.00 0.00 64.21 62.86 2qbf n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qbf h THR 25 N 3.93 0.32 -0.56 2.46 2.02 -1.96 -0.35 112.91 118.77 2qbf h THR 25 Ca -0.48 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.82 2qbf h THR 25 Cb 1.35 0.32 -0.10 0.00 -1.74 0.00 0.00 68.15 67.98 2qbf h THR 25 CO 0.82 0.00 -0.05 -0.33 0.37 0.00 0.00 175.52 176.34 2qbf h GLU 26 N -0.23 0.07 0.18 6.66 3.07 -1.88 -1.30 114.58 121.13 2qbf h GLU 26 Ca 0.16 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 2qbf h GLU 26 Cb 0.49 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 2qbf h GLU 26 CO -0.47 0.05 -0.32 0.28 -1.40 0.00 0.00 179.01 177.15 2qbf h VAL 27 N 0.08 0.00 -0.66 3.13 2.07 -1.32 -0.48 116.25 119.07 2qbf h VAL 27 Ca 0.28 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.87 2qbf h VAL 27 Cb 0.44 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.11 2qbf h VAL 27 CO -0.51 0.00 -0.55 1.56 0.02 0.00 0.00 177.57 178.09 2qbf h GLN 28 N -0.53 -0.22 -0.56 1.57 4.20 -0.78 0.49 115.11 119.28 2qbf h GLN 28 Ca -0.02 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.81 2qbf h GLN 28 Cb 0.49 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 28.21 2qbf h GLN 28 CO -0.12 -0.14 -0.28 0.28 -0.67 0.00 0.00 178.83 177.90 2qbf h VAL 29 N -0.22 0.24 0.14 -0.54 2.07 -1.06 0.23 116.25 117.10 2qbf h VAL 29 Ca 0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2qbf h VAL 29 Cb 0.53 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2qbf h VAL 29 CO -0.74 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 176.75 2qbf h ALA 30 N 1.13 -0.22 -0.64 1.67 0.00 0.63 -1.59 119.26 120.24 2qbf h ALA 30 Ca 0.24 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.23 2qbf h ALA 30 Cb 0.53 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2qbf h ALA 30 CO -0.64 -0.63 0.16 -0.07 0.00 0.00 0.00 179.25 178.06 2qbf h LEU 31 N -0.24 0.05 -0.09 0.00 3.38 0.11 -1.91 115.31 116.61 2qbf h LEU 31 Ca -0.01 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qbf h LEU 31 Cb 0.21 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2qbf h LEU 31 CO 0.00 0.03 0.06 -0.07 0.09 0.00 0.00 178.44 178.54 2qbf h LEU 32 N 0.30 0.11 -1.75 1.67 -0.00 -0.31 -2.47 115.31 112.87 2qbf h LEU 32 Ca 0.34 -0.05 0.22 0.00 -0.00 0.00 0.00 57.88 58.40 2qbf h LEU 32 Cb 0.51 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.09 2qbf h LEU 32 CO -0.41 0.12 0.60 0.74 -0.00 0.00 0.00 178.44 179.49 2qbf h THR 33 N 0.09 0.63 0.37 0.22 2.02 -0.52 0.79 112.91 116.51 2qbf h THR 33 Ca 0.03 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2qbf h THR 33 Cb 0.03 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2qbf h THR 33 CO -0.01 0.04 -0.24 0.00 0.37 0.00 0.00 175.52 175.69 2qbf h ALA 34 N 1.60 -1.07 -0.82 6.16 0.00 -0.95 0.58 119.26 124.76 2qbf h ALA 34 Ca 0.44 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.26 2qbf h ALA 34 Cb 1.38 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2qbf h ALA 34 CO -0.10 -1.05 0.52 1.96 0.00 0.00 0.00 179.25 180.59 2qbf h GLN 35 N -0.57 0.98 -0.58 0.00 4.20 -1.43 0.45 115.11 118.15 2qbf h GLN 35 Ca -0.05 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.70 2qbf h GLN 35 Cb 0.46 -0.22 -0.08 0.00 0.30 0.00 0.00 27.48 27.94 2qbf h GLN 35 CO 0.05 0.65 0.15 0.82 -0.67 0.00 0.00 178.83 179.82 2qbf h ILE 36 N 1.01 0.69 0.10 2.54 1.08 -0.74 0.52 117.51 122.72 2qbf h ILE 36 Ca 0.33 -0.10 -0.21 0.00 -0.39 0.00 0.00 64.86 64.50 2qbf h ILE 36 Cb 0.03 0.37 0.02 0.00 -3.07 0.00 0.00 36.82 34.17 2qbf h ILE 36 CO -0.12 0.05 -0.86 0.78 -0.69 0.00 0.00 178.15 177.31 2qbf h ASN 37 N 0.29 0.58 -0.17 1.72 -0.26 -0.23 -3.17 115.58 114.34 2qbf h ASN 37 Ca 0.30 -0.87 -0.03 0.00 -0.56 0.00 0.00 56.30 55.14 2qbf h ASN 37 Cb 0.42 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 2qbf h ASN 37 CO -0.37 1.40 0.03 -0.74 -1.06 0.00 0.00 177.43 176.69 2qbf h HIS 38 N -0.14 0.38 0.00 1.19 2.76 0.21 -2.35 115.15 117.19 2qbf h HIS 38 Ca -0.14 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 57.90 2qbf h HIS 38 Cb 1.62 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.45 2qbf h HIS 38 CO 0.16 0.36 -0.52 -0.07 -1.30 0.00 0.00 177.93 176.57 2qbf h LEU 39 N 0.37 0.00 -1.56 0.26 4.07 -0.04 -3.10 115.31 115.30 2qbf h LEU 39 Ca 0.09 0.00 0.26 0.00 0.08 0.00 0.00 57.88 58.31 2qbf h LEU 39 Cb 0.20 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.87 2qbf h LEU 39 CO 0.00 0.52 0.67 1.56 -1.08 0.00 0.00 178.44 180.12 2qbf h GLN 40 N 0.00 0.29 -0.04 1.13 4.20 -1.39 0.21 115.11 119.51 2qbf h GLN 40 Ca -0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2qbf h GLN 40 Cb 1.07 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 2qbf h GLN 40 CO 0.07 0.19 -0.02 0.78 -0.67 0.00 0.00 178.83 179.18 2qbf h GLY 41 N 0.30 0.10 1.38 3.46 0.00 -1.67 0.56 103.07 107.18 2qbf h GLY 41 Ca 0.54 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.81 2qbf h GLY 41 CO -0.19 0.08 0.35 0.84 0.00 0.00 0.00 176.54 177.61 2qbf h HIS 42 N -0.31 0.57 0.00 5.60 -0.00 -0.85 -2.20 115.15 117.96 2qbf h HIS 42 Ca 0.01 0.01 -0.17 0.00 -0.00 0.00 0.00 60.37 60.22 2qbf h HIS 42 Cb 0.45 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.65 2qbf h HIS 42 CO 0.07 0.33 -1.19 0.74 -0.00 0.00 0.00 177.93 177.88 2qbf h PHE 43 N 0.59 0.00 -0.30 5.26 -1.00 -0.65 -3.23 116.94 117.61 2qbf h PHE 43 Ca 0.21 0.00 0.06 0.00 2.81 0.00 0.00 57.97 61.05 2qbf h PHE 43 Cb 0.10 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 2qbf h PHE 43 CO -0.00 0.66 0.21 0.00 -1.61 0.00 0.00 178.31 177.57 2qbf h ALA 44 N 1.34 2.13 -2.50 2.45 0.00 0.75 -3.22 119.26 120.21 2qbf h ALA 44 Ca -0.12 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.22 2qbf h ALA 44 Cb 1.61 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.31 2qbf h ALA 44 CO 0.06 -0.20 -0.59 -2.00 0.00 0.00 0.00 179.25 176.53 2qbf s GLU 45 N -5.15 2.69 0.00 0.00 2.12 -1.08 -4.70 118.70 112.58 2qbf s GLU 45 Ca -0.06 -1.08 0.00 0.00 0.36 0.00 0.00 54.97 54.20 2qbf s GLU 45 Cb 0.18 -2.47 0.00 0.00 0.26 0.00 0.00 34.13 32.10 2qbf s GLU 45 CO 0.71 0.43 0.00 0.72 -0.54 0.00 0.00 175.26 176.58 2qbf n HIS 46 N -0.65 0.00 0.00 5.30 8.25 -1.26 -4.82 115.22 122.04 2qbf n HIS 46 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2qbf n HIS 46 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 2qbf n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qbf n LYS 47 N 0.00 0.00 0.00 -0.41 5.02 -1.21 -4.44 118.16 117.12 2qbf n LYS 47 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qbf n LYS 47 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 2qbf n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qbf n LYS 48 N 0.00 0.03 -1.74 1.97 4.76 -1.26 -4.10 118.16 117.82 2qbf n LYS 48 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2qbf n LYS 48 Cb 0.00 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 31.71 2qbf n LYS 48 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2qbf n ASP 49 N -0.98 4.15 0.08 4.39 2.03 -1.26 -4.73 116.55 120.24 2qbf n ASP 49 Ca 0.01 -2.84 -0.13 0.00 0.52 0.00 0.00 54.79 52.34 2qbf n ASP 49 Cb 0.00 -1.65 -0.08 0.00 -0.72 0.00 0.00 41.12 38.68 2qbf n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2qbf h HIS 50 N 5.94 -0.14 -1.06 -0.67 3.86 -1.99 -2.89 115.15 118.20 2qbf h HIS 50 Ca 0.58 -0.00 0.29 0.00 -1.16 0.00 0.00 60.37 60.07 2qbf h HIS 50 Cb 0.62 0.05 -0.12 0.00 1.06 0.00 0.00 27.41 29.02 2qbf h HIS 50 CO 1.47 0.02 0.65 0.45 0.86 0.00 0.00 177.93 181.38 2qbf h HIS 51 N -0.28 0.80 -0.06 2.45 3.86 -1.96 0.64 115.15 120.60 2qbf h HIS 51 Ca -0.02 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.05 2qbf h HIS 51 Cb 0.23 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2qbf h HIS 51 CO -0.03 -0.01 -0.72 0.77 0.86 0.00 0.00 177.93 178.80 2qbf h SER 52 N 0.40 0.37 -0.64 2.45 0.02 -1.94 -3.08 113.55 111.13 2qbf h SER 52 Ca 0.66 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 61.38 2qbf h SER 52 Cb 1.59 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.98 2qbf h SER 52 CO -0.42 0.97 0.42 -0.09 -1.14 0.00 0.00 176.83 176.56 2qbf h ARG 53 N 0.21 0.81 -0.96 3.45 9.65 0.44 -1.60 114.38 126.39 2qbf h ARG 53 Ca -0.03 -0.05 0.28 0.00 -1.10 0.00 0.00 59.98 59.08 2qbf h ARG 53 Cb 1.28 -0.18 -0.14 0.00 -1.39 0.00 0.00 29.97 29.53 2qbf h ARG 53 CO 0.12 0.54 0.47 0.00 2.80 0.00 0.00 179.97 183.90 2qbf h ARG 54 N 0.84 0.33 -0.29 0.20 2.47 -1.13 0.60 114.38 117.40 2qbf h ARG 54 Ca 0.24 -0.02 -0.14 0.00 -1.26 0.00 0.00 59.98 58.81 2qbf h ARG 54 Cb -0.06 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.18 2qbf h ARG 54 CO -0.07 0.22 -0.35 0.78 0.56 0.00 0.00 179.97 181.11 2qbf h GLY 55 N 0.34 0.82 0.29 0.04 0.00 -1.39 -2.87 103.07 100.30 2qbf h GLY 55 Ca 0.66 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2qbf h GLY 55 CO -0.59 0.78 -0.52 -2.00 0.00 0.00 0.00 176.54 174.21 2qbf h LEU 56 N 0.50 -1.51 -0.92 3.11 5.85 0.59 -2.31 115.31 120.62 2qbf h LEU 56 Ca 0.04 0.14 0.15 0.00 0.84 0.00 0.00 57.88 59.05 2qbf h LEU 56 Cb 0.93 0.53 -0.09 0.00 0.37 0.00 0.00 40.66 42.40 2qbf h LEU 56 CO 0.08 -0.61 0.53 -0.07 -0.34 0.00 0.00 178.44 178.03 2qbf h LEU 57 N -0.87 0.70 -1.65 2.25 4.07 -1.17 0.94 115.31 119.58 2qbf h LEU 57 Ca -0.03 0.08 0.12 0.00 0.08 0.00 0.00 57.88 58.12 2qbf h LEU 57 Cb 0.81 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.47 2qbf h LEU 57 CO -0.19 0.31 0.43 -0.09 -1.08 0.00 0.00 178.44 177.82 2qbf h ARG 58 N 0.76 0.37 -0.07 1.13 2.43 -1.19 0.19 114.38 117.99 2qbf h ARG 58 Ca 0.49 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.54 2qbf h ARG 58 Cb 0.65 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2qbf h ARG 58 CO -0.34 0.25 -0.35 0.52 -1.51 0.00 0.00 179.97 178.54 2qbf h MET 59 N 0.38 0.36 0.63 0.20 0.00 -0.46 -2.19 114.93 113.86 2qbf h MET 59 Ca 0.30 -0.30 -0.03 0.00 0.00 0.00 0.00 59.70 59.67 2qbf h MET 59 Cb 0.66 0.06 0.00 0.00 0.00 0.00 0.00 31.60 32.32 2qbf h MET 59 CO -0.08 0.94 -0.32 0.28 0.00 0.00 0.00 176.91 177.73 2qbf h VAL 60 N -0.12 0.00 -1.04 -2.22 2.07 -0.65 0.30 116.25 114.59 2qbf h VAL 60 Ca -0.02 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.76 2qbf h VAL 60 Cb 1.01 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.67 2qbf h VAL 60 CO 0.07 0.00 0.64 0.77 0.02 0.00 0.00 177.57 179.08 2qbf h SER 61 N -0.86 0.54 0.17 0.57 4.64 -0.81 0.18 113.55 117.97 2qbf h SER 61 Ca -0.09 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2qbf h SER 61 Cb 0.67 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2qbf h SER 61 CO 0.13 0.07 -0.08 -0.61 -0.87 0.00 0.00 176.83 175.48 2qbf h GLN 62 N 0.46 -0.22 -1.01 4.77 4.15 -1.10 -2.93 115.11 119.23 2qbf h GLN 62 Ca 0.63 0.02 0.17 0.00 0.77 0.00 0.00 58.65 60.24 2qbf h GLN 62 Cb 1.44 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 29.08 2qbf h GLN 62 CO -0.39 0.17 0.62 -0.09 -1.93 0.00 0.00 178.83 177.21 2qbf h ARG 63 N -0.69 0.81 -0.98 1.69 2.43 0.13 0.31 114.38 118.07 2qbf h ARG 63 Ca -0.02 -0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.23 2qbf h ARG 63 Cb 0.49 -0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 2qbf h ARG 63 CO 0.04 0.54 0.62 -0.09 -1.51 0.00 0.00 179.97 179.56 2qbf h ARG 64 N 0.83 0.89 -0.09 0.20 9.65 -0.63 0.10 114.38 125.34 2qbf h ARG 64 Ca 0.56 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 59.29 2qbf h ARG 64 Cb 0.78 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 2qbf h ARG 64 CO -0.35 0.59 -0.32 0.87 2.80 0.00 0.00 179.97 183.56 2qbf h LYS 65 N 0.91 0.38 -0.24 0.20 1.57 -0.26 -0.43 116.57 118.71 2qbf h LYS 65 Ca 0.50 -0.28 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 2qbf h LYS 65 Cb 0.58 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 2qbf h LYS 65 CO -0.27 0.91 0.01 -0.07 -0.57 0.00 0.00 179.45 179.47 2qbf h LEU 66 N -0.08 -0.06 0.38 2.94 -0.00 -0.58 0.70 115.31 118.61 2qbf h LEU 66 Ca -0.02 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2qbf h LEU 66 Cb 0.96 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2qbf h LEU 66 CO 0.07 -0.00 -0.18 -0.07 -0.00 0.00 0.00 178.44 178.25 2qbf h LEU 67 N 0.09 -0.43 -0.63 1.67 3.38 -0.87 0.10 115.31 118.62 2qbf h LEU 67 Ca 0.11 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.17 2qbf h LEU 67 Cb 0.13 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 2qbf h LEU 67 CO -0.18 -0.26 0.23 0.44 0.09 0.00 0.00 178.44 178.76 2qbf h ASP 68 N -0.57 0.21 0.06 -0.43 5.19 -0.77 -1.12 116.42 119.00 2qbf h ASP 68 Ca -0.05 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2qbf h ASP 68 Cb 0.42 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 2qbf h ASP 68 CO 0.09 0.12 -0.03 0.22 -3.12 0.00 0.00 179.24 176.51 2qbf h TYR 69 N 0.40 -0.09 -0.65 4.55 3.20 0.68 -2.77 116.97 122.29 2qbf h TYR 69 Ca 0.32 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.31 2qbf h TYR 69 Cb 0.43 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.64 2qbf h TYR 69 CO -0.18 -0.05 0.22 1.25 -1.64 0.00 0.00 178.16 177.76 2qbf h LEU 70 N -0.09 0.18 -1.31 2.82 7.12 -0.02 0.47 115.31 124.46 2qbf h LEU 70 Ca -0.01 0.10 0.11 0.00 0.13 0.00 0.00 57.88 58.21 2qbf h LEU 70 Cb 0.07 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.24 2qbf h LEU 70 CO 0.01 0.09 0.55 0.50 -0.13 0.00 0.00 178.44 179.46 2qbf h LYS 71 N 0.38 0.71 -0.10 1.25 3.64 -0.97 0.12 116.57 121.60 2qbf h LYS 71 Ca 0.34 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.47 2qbf h LYS 71 Cb 0.47 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2qbf h LYS 71 CO -0.36 0.47 -0.75 0.00 -2.27 0.00 0.00 179.45 176.54 2qbf h ARG 72 N 0.73 0.68 0.00 1.90 3.08 -0.72 -3.06 114.38 116.99 2qbf h ARG 72 Ca 0.40 -0.60 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 2qbf h ARG 72 Cb 0.55 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2qbf h ARG 72 CO -0.17 1.21 -0.18 0.87 -1.07 0.00 0.00 179.97 180.63 2qbf h LYS 73 N 0.35 0.00 -0.16 0.04 1.79 -0.70 -3.44 116.57 114.45 2qbf h LYS 73 Ca -0.07 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.65 2qbf h LYS 73 Cb 1.39 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.85 2qbf h LYS 73 CO 0.15 0.18 0.06 0.34 -1.08 0.00 0.00 179.45 179.10 2qbf s ASP 74 N -6.23 -0.26 0.38 0.86 -1.08 0.35 -5.03 116.67 105.65 2qbf s ASP 74 Ca 0.05 0.05 0.10 0.00 -0.52 0.00 0.00 52.55 52.22 2qbf s ASP 74 Cb 0.07 1.17 0.87 0.00 -1.46 0.00 0.00 42.92 43.57 2qbf s ASP 74 CO 0.68 -0.05 1.90 0.58 0.52 0.00 0.00 175.17 178.80 2qbf h VAL 75 N 4.43 0.86 0.00 1.11 2.07 -1.69 -3.12 116.25 119.91 2qbf h VAL 75 Ca -0.10 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2qbf h VAL 75 Cb 1.17 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2qbf h VAL 75 CO -0.13 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.57 2qbf n ALA 76 N -2.46 -0.06 -0.38 1.67 0.00 -1.26 -1.30 120.51 116.70 2qbf n ALA 76 Ca 0.15 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.90 2qbf n ALA 76 Cb 0.43 0.16 0.58 0.00 0.00 0.00 0.00 19.45 20.63 2qbf n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbf h ARG 77 N 0.00 0.16 0.78 0.00 3.08 -1.92 -0.76 114.38 115.72 2qbf h ARG 77 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2qbf h ARG 77 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2qbf h ARG 77 CO 0.00 0.11 -0.43 -0.92 -1.07 0.00 0.00 179.97 177.65 2qbf h TYR 78 N 0.16 -1.15 -0.72 3.04 3.20 -1.39 0.17 116.97 120.29 2qbf h TYR 78 Ca 0.78 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.75 2qbf h TYR 78 Cb 2.19 0.40 -0.08 0.00 1.54 0.00 0.00 36.73 40.77 2qbf h TYR 78 CO -0.01 -0.67 0.32 1.79 -1.64 0.00 0.00 178.16 177.95 2qbf h THR 79 N -1.12 0.75 -0.12 1.81 1.35 0.19 -2.22 112.91 113.54 2qbf h THR 79 Ca -0.11 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.56 2qbf h THR 79 Cb 0.88 0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 2qbf h THR 79 CO 0.14 0.09 0.01 1.56 -0.25 0.00 0.00 175.52 177.07 2qbf h GLN 80 N 0.51 0.21 -0.51 4.72 4.20 -1.33 -3.08 115.11 119.83 2qbf h GLN 80 Ca 0.38 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 59.13 2qbf h GLN 80 Cb 0.50 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.16 2qbf h GLN 80 CO -0.34 0.43 -0.12 1.25 -0.67 0.00 0.00 178.83 179.38 2qbf h LEU 81 N -0.03 -0.46 -1.12 1.46 6.46 -0.11 -0.96 115.31 120.55 2qbf h LEU 81 Ca 0.04 0.15 0.06 0.00 -0.12 0.00 0.00 57.88 58.01 2qbf h LEU 81 Cb 0.33 0.31 -0.06 0.00 -0.73 0.00 0.00 40.66 40.51 2qbf h LEU 81 CO 0.00 -0.16 0.60 0.40 -0.62 0.00 0.00 178.44 178.66 2qbf h ILE 82 N 0.01 1.07 0.02 4.05 2.04 -1.42 -2.82 117.51 120.46 2qbf h ILE 82 Ca 0.25 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.76 2qbf h ILE 82 Cb 0.37 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 2qbf h ILE 82 CO -0.52 0.19 -0.14 -0.08 0.00 0.00 0.00 178.15 177.61 2qbf h GLU 83 N 1.06 -0.23 -0.15 2.37 4.57 -1.08 1.41 114.58 122.53 2qbf h GLU 83 Ca 0.40 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.53 2qbf h GLU 83 Cb 0.18 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2qbf h GLU 83 CO -0.15 -0.15 -0.17 0.00 -1.18 0.00 0.00 179.01 177.36 2qbf h ARG 84 N -0.24 0.24 -0.02 1.92 3.08 -1.35 -2.51 114.38 115.51 2qbf h ARG 84 Ca 0.04 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2qbf h ARG 84 Cb 0.29 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2qbf h ARG 84 CO -0.12 0.42 -0.25 1.28 -1.07 0.00 0.00 179.97 180.23 2qbf n LEU 85 N -4.23 2.18 -3.56 3.04 4.32 -1.04 -5.01 117.00 112.69 2qbf n LEU 85 Ca -0.01 -0.75 -0.18 0.00 -0.02 0.00 0.00 56.01 55.05 2qbf n LEU 85 Cb 0.30 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 2qbf n LEU 85 CO 0.39 0.38 -0.08 0.61 -1.22 0.00 0.00 177.39 177.47 2qbf n GLY 86 N 1.36 -1.23 0.00 -0.72 0.00 0.48 -5.00 105.19 100.08 2qbf n GLY 86 Ca 0.12 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2qbf n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbf n LEU 87 N -2.25 0.00 -3.61 0.99 4.77 -0.91 -4.89 117.00 111.10 2qbf n LEU 87 Ca -0.22 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.54 2qbf n LEU 87 Cb 0.64 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.77 2qbf n LEU 87 CO 0.60 0.00 -0.05 -1.14 -1.33 0.00 0.00 177.39 175.47 2qbf n ARG 88 N 0.00 -3.49 -0.36 3.23 3.00 -1.26 -4.94 116.66 112.84 2qbf n ARG 88 Ca 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 57.85 58.48 2qbf n ARG 88 Cb 0.00 -5.03 0.00 0.00 0.00 0.00 0.00 32.46 27.43 2qbf n ARG 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17