#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qb9 s LEU 3 N 0.00 3.95 0.12 -3.43 2.96 -1.26 -5.05 118.68 115.97 2qb9 s LEU 3 Ca 0.00 0.81 -0.30 0.00 -0.22 0.00 0.00 54.13 54.42 2qb9 s LEU 3 Cb 0.00 -3.66 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 2qb9 s LEU 3 CO 0.00 -0.29 1.08 -0.94 -1.32 0.00 0.00 176.35 174.87 2qb9 s SER 4 N -3.35 7.29 0.23 3.68 1.04 -1.26 -4.89 113.70 116.45 2qb9 s SER 4 Ca 0.46 1.96 -0.07 0.00 0.48 0.00 0.00 55.95 58.77 2qb9 s SER 4 Cb -0.10 -2.59 0.41 0.00 0.10 0.00 0.00 66.02 63.83 2qb9 s SER 4 CO 0.32 -0.24 1.67 0.71 0.98 0.00 0.00 173.24 176.68 2qb9 h THR 5 N 4.09 0.49 -0.06 2.02 1.35 -1.97 0.84 112.91 119.66 2qb9 h THR 5 Ca -0.43 -0.07 0.03 0.00 -0.55 0.00 0.00 66.41 65.40 2qb9 h THR 5 Cb 1.21 0.27 -0.04 0.00 -1.73 0.00 0.00 68.15 67.86 2qb9 h THR 5 CO 0.74 0.04 -0.19 -0.08 -0.25 0.00 0.00 175.52 175.78 2qb9 h GLU 6 N 0.20 -0.27 0.00 4.72 4.57 -2.00 0.03 114.58 121.84 2qb9 h GLU 6 Ca 0.39 0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.51 2qb9 h GLU 6 Cb 0.65 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2qb9 h GLU 6 CO -0.53 -0.18 -0.33 0.00 -1.18 0.00 0.00 179.01 176.79 2qb9 h ALA 7 N 0.68 1.16 -0.68 2.92 0.00 -1.61 -2.62 119.26 119.11 2qb9 h ALA 7 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qb9 h ALA 7 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2qb9 h ALA 7 CO -0.22 0.41 0.00 2.41 0.00 0.00 0.00 179.25 181.85 2qb9 n THR 8 N -3.71 0.00 -0.30 0.00 -1.04 0.28 -2.05 114.28 107.45 2qb9 n THR 8 Ca -0.01 1.11 0.14 0.00 -2.04 0.00 0.00 64.05 63.25 2qb9 n THR 8 Cb 0.43 -2.04 0.31 0.00 -1.82 0.00 0.00 70.33 67.21 2qb9 n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qb9 h ALA 9 N -2.00 1.40 -0.20 2.41 0.00 -1.14 0.64 119.26 120.37 2qb9 h ALA 9 Ca 0.00 0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2qb9 h ALA 9 Cb 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2qb9 h ALA 9 CO 0.00 -0.43 -0.40 -0.22 0.00 0.00 0.00 179.25 178.20 2qb9 h LYS 10 N 0.29 -0.41 0.00 0.00 1.63 -1.50 -1.52 116.57 115.06 2qb9 h LYS 10 Ca 0.57 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 60.30 2qb9 h LYS 10 Cb 1.15 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 2qb9 h LYS 10 CO -0.60 -0.28 -0.48 0.97 -3.45 0.00 0.00 179.45 175.62 2qb9 h ILE 11 N -0.43 1.21 -0.13 2.00 2.10 -0.52 -2.84 117.51 118.90 2qb9 h ILE 11 Ca 0.10 -1.70 -0.03 0.00 1.08 0.00 0.00 64.86 64.31 2qb9 h ILE 11 Cb 0.60 1.95 -0.01 0.00 -1.09 0.00 0.00 36.82 38.27 2qb9 h ILE 11 CO -0.43 0.47 -0.03 0.58 -1.08 0.00 0.00 178.15 177.65 2qb9 h VAL 12 N 0.00 1.11 0.12 2.19 2.07 -0.01 -2.87 116.25 118.86 2qb9 h VAL 12 Ca -0.00 -0.45 -0.16 0.00 0.82 0.00 0.00 66.70 66.91 2qb9 h VAL 12 Cb 0.91 1.05 0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2qb9 h VAL 12 CO 0.06 0.14 -0.70 -1.28 0.02 0.00 0.00 177.57 175.81 2qb9 h SER 13 N 0.19 0.41 -0.11 0.57 0.87 -1.08 0.37 113.55 114.77 2qb9 h SER 13 Ca 0.04 -0.95 0.03 0.00 -1.23 0.00 0.00 61.79 59.68 2qb9 h SER 13 Cb 0.19 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2qb9 h SER 13 CO 0.01 1.34 0.18 -0.33 -0.53 0.00 0.00 176.83 177.50 2qb9 h GLU 14 N -0.44 0.00 0.00 2.24 5.08 -1.33 -2.83 114.58 117.29 2qb9 h GLU 14 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2qb9 h GLU 14 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2qb9 h GLU 14 CO 0.13 0.00 -0.42 1.19 -1.00 0.00 0.00 179.01 178.92 2qb9 n PHE 15 N -3.48 0.00 -1.70 4.33 3.01 -1.10 -5.04 117.46 113.48 2qb9 n PHE 15 Ca -0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 2qb9 n PHE 15 Cb 0.28 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.72 2qb9 n PHE 15 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qb9 n GLY 16 N 1.50 1.49 0.27 1.37 0.00 0.13 -4.34 105.19 105.62 2qb9 n GLY 16 Ca 0.00 0.65 0.09 0.00 0.00 0.00 0.00 46.02 46.76 2qb9 n GLY 16 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qb9 h ARG 17 N 7.03 0.00 0.00 1.61 2.47 -1.85 -3.44 114.38 120.20 2qb9 h ARG 17 Ca -0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 2qb9 h ARG 17 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 2qb9 h ARG 17 CO 0.94 0.00 0.00 -0.40 0.56 0.00 0.00 179.97 181.07 2qb9 n ASP 18 N -2.49 3.34 -4.51 7.04 5.68 -1.26 -5.12 116.55 119.23 2qb9 n ASP 18 Ca -0.01 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.86 2qb9 n ASP 18 Cb 0.48 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.37 2qb9 n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qb9 s ALA 19 N -1.00 3.46 -0.28 2.12 0.00 -1.26 -4.66 121.76 120.14 2qb9 s ALA 19 Ca 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 51.96 50.50 2qb9 s ALA 19 Cb 0.00 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.19 2qb9 s ALA 19 CO 0.00 -1.34 0.27 -1.71 0.00 0.00 0.00 175.76 172.97 2qb9 n ASN 20 N 5.47 -6.44 -2.85 0.00 5.15 -1.26 -5.04 115.26 110.29 2qb9 n ASN 20 Ca -0.08 0.67 -0.11 0.00 -0.60 0.00 0.00 54.58 54.45 2qb9 n ASN 20 Cb 0.48 -4.24 0.06 0.00 -0.53 0.00 0.00 39.78 35.54 2qb9 n ASN 20 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2qb9 n ASP 21 N -0.00 -1.54 0.00 1.20 5.75 -1.26 -4.97 116.55 115.72 2qb9 n ASP 21 Ca 0.05 -3.51 0.00 0.00 -0.01 0.00 0.00 54.79 51.33 2qb9 n ASP 21 Cb 0.20 1.26 0.01 0.00 -1.03 0.00 0.00 41.12 41.57 2qb9 n ASP 21 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2qb9 n THR 22 N 0.40 0.00 -0.04 2.12 -2.24 -1.26 -1.91 114.28 111.35 2qb9 n THR 22 Ca 0.11 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.78 2qb9 n THR 22 Cb 0.69 -0.62 -0.14 0.00 -2.10 0.00 0.00 70.33 68.15 2qb9 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qb9 n GLY 23 N -0.58 -0.92 3.46 3.38 0.00 -1.26 -4.66 105.19 104.61 2qb9 n GLY 23 Ca 0.00 -0.13 -0.46 0.00 0.00 0.00 0.00 46.02 45.44 2qb9 n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qb9 n SER 24 N -3.06 -0.54 0.17 1.61 2.88 -0.80 -4.80 113.62 109.08 2qb9 n SER 24 Ca -0.23 1.10 -0.14 0.00 -1.33 0.00 0.00 58.87 58.27 2qb9 n SER 24 Cb 1.07 -1.07 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2qb9 n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qb9 h THR 25 N 1.23 0.68 -0.70 2.46 2.02 -1.93 -2.69 112.91 113.98 2qb9 h THR 25 Ca -0.34 0.00 0.14 0.00 0.77 0.00 0.00 66.41 66.98 2qb9 h THR 25 Cb 1.41 0.68 -0.13 0.00 -1.74 0.00 0.00 68.15 68.36 2qb9 h THR 25 CO 0.57 0.00 -0.19 -0.33 0.37 0.00 0.00 175.52 175.93 2qb9 h GLU 26 N -0.39 -0.02 0.10 6.66 3.07 -1.89 -1.27 114.58 120.83 2qb9 h GLU 26 Ca -0.03 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2qb9 h GLU 26 Cb 0.32 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.19 2qb9 h GLU 26 CO 0.03 -0.01 -0.53 0.28 -1.40 0.00 0.00 179.01 177.38 2qb9 h VAL 27 N -0.02 0.01 -0.30 3.13 2.07 -1.69 -1.78 116.25 117.67 2qb9 h VAL 27 Ca 0.33 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.89 2qb9 h VAL 27 Cb 0.52 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 2qb9 h VAL 27 CO -0.72 0.00 -0.42 1.56 0.02 0.00 0.00 177.57 178.01 2qb9 h GLN 28 N -0.74 -0.29 -0.84 1.57 4.20 -0.94 0.49 115.11 118.56 2qb9 h GLN 28 Ca -0.00 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.86 2qb9 h GLN 28 Cb 0.75 0.07 -0.14 0.00 0.30 0.00 0.00 27.48 28.46 2qb9 h GLN 28 CO -0.30 -0.19 -0.40 0.28 -0.67 0.00 0.00 178.83 177.55 2qb9 h VAL 29 N -0.30 0.05 0.47 -0.54 2.07 -1.17 0.30 116.25 117.14 2qb9 h VAL 29 Ca 0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2qb9 h VAL 29 Cb 0.44 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2qb9 h VAL 29 CO -0.44 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 176.86 2qb9 h ALA 30 N 1.11 -0.73 -0.97 1.67 0.00 -0.38 0.12 119.26 120.09 2qb9 h ALA 30 Ca 0.28 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.28 2qb9 h ALA 30 Cb 0.57 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 2qb9 h ALA 30 CO -0.87 -0.92 0.54 -0.07 0.00 0.00 0.00 179.25 177.92 2qb9 h LEU 31 N -0.73 0.58 0.06 0.00 3.38 0.16 -1.32 115.31 117.45 2qb9 h LEU 31 Ca -0.05 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qb9 h LEU 31 Cb 0.60 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2qb9 h LEU 31 CO 0.05 0.08 -0.03 -0.07 0.09 0.00 0.00 178.44 178.56 2qb9 h LEU 32 N 0.54 -0.07 -1.60 1.67 -0.00 -0.10 -3.16 115.31 112.59 2qb9 h LEU 32 Ca 0.62 -0.44 0.27 0.00 -0.00 0.00 0.00 57.88 58.33 2qb9 h LEU 32 Cb 1.16 0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 41.77 2qb9 h LEU 32 CO -0.49 0.43 0.70 0.74 -0.00 0.00 0.00 178.44 179.82 2qb9 h THR 33 N -0.59 0.52 0.37 0.22 2.02 0.10 -0.39 112.91 115.16 2qb9 h THR 33 Ca -0.01 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 2qb9 h THR 33 Cb 0.51 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2qb9 h THR 33 CO 0.01 0.05 -0.18 0.00 0.37 0.00 0.00 175.52 175.78 2qb9 h ALA 34 N 1.57 -1.06 -0.99 6.16 0.00 -1.30 -0.16 119.26 123.47 2qb9 h ALA 34 Ca 0.55 -0.11 0.27 0.00 0.00 0.00 0.00 54.91 55.63 2qb9 h ALA 34 Cb 1.65 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 2qb9 h ALA 34 CO -0.18 -1.02 0.69 1.96 0.00 0.00 0.00 179.25 180.69 2qb9 h GLN 35 N -0.52 0.12 0.04 0.00 4.20 -1.39 0.96 115.11 118.52 2qb9 h GLN 35 Ca -0.05 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 2qb9 h GLN 35 Cb 0.38 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2qb9 h GLN 35 CO 0.08 0.08 -0.02 0.82 -0.67 0.00 0.00 178.83 179.12 2qb9 h ILE 36 N 0.12 0.00 -0.33 2.54 1.08 -0.78 0.74 117.51 120.88 2qb9 h ILE 36 Ca 0.49 -0.02 0.10 0.00 -0.39 0.00 0.00 64.86 65.04 2qb9 h ILE 36 Cb 1.73 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 2qb9 h ILE 36 CO -0.08 0.00 0.25 0.78 -0.69 0.00 0.00 178.15 178.41 2qb9 h ASN 37 N -0.07 0.00 0.20 1.72 4.21 -0.59 -1.44 115.58 119.61 2qb9 h ASN 37 Ca -0.01 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.24 2qb9 h ASN 37 Cb 0.04 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.26 2qb9 h ASN 37 CO 0.01 0.00 -1.08 -0.74 -1.29 0.00 0.00 177.43 174.33 2qb9 h HIS 38 N 0.00 0.85 -0.19 1.19 2.76 -0.85 -3.31 115.15 115.60 2qb9 h HIS 38 Ca 0.16 -0.49 -0.15 0.00 -2.20 0.00 0.00 60.37 57.69 2qb9 h HIS 38 Cb 0.65 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.52 2qb9 h HIS 38 CO 0.00 1.33 -0.49 1.25 -1.30 0.00 0.00 177.93 178.72 2qb9 h LEU 39 N 0.28 0.56 -0.81 0.26 5.85 0.18 -3.15 115.31 118.48 2qb9 h LEU 39 Ca -0.13 -0.28 0.19 0.00 0.84 0.00 0.00 57.88 58.51 2qb9 h LEU 39 Cb 1.74 -0.16 -0.14 0.00 0.37 0.00 0.00 40.66 42.47 2qb9 h LEU 39 CO 0.20 0.96 0.06 1.56 -0.34 0.00 0.00 178.44 180.88 2qb9 h GLN 40 N 0.41 0.12 -0.59 1.25 4.20 -1.44 0.47 115.11 119.53 2qb9 h GLN 40 Ca 0.02 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.84 2qb9 h GLN 40 Cb 1.00 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.66 2qb9 h GLN 40 CO 0.09 0.08 0.02 0.78 -0.67 0.00 0.00 178.83 179.13 2qb9 h GLY 41 N 0.12 0.64 0.96 3.46 0.00 -1.70 0.99 103.07 107.54 2qb9 h GLY 41 Ca 0.46 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.83 2qb9 h GLY 41 CO -0.69 -0.17 0.19 0.84 0.00 0.00 0.00 176.54 176.71 2qb9 h HIS 42 N 0.14 0.64 0.00 5.60 -0.00 -0.30 -2.63 115.15 118.60 2qb9 h HIS 42 Ca 0.30 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.58 2qb9 h HIS 42 Cb 0.48 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 2qb9 h HIS 42 CO -0.33 0.54 -0.25 0.74 -0.00 0.00 0.00 177.93 178.63 2qb9 h PHE 43 N 0.55 0.00 0.00 5.26 0.05 0.80 -1.31 116.94 122.30 2qb9 h PHE 43 Ca 0.15 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.94 2qb9 h PHE 43 Cb 0.16 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.11 2qb9 h PHE 43 CO -0.00 0.25 -0.00 0.00 -0.18 0.00 0.00 178.31 178.37 2qb9 h ALA 44 N 1.75 1.72 -2.19 2.45 0.00 0.13 -3.20 119.26 119.92 2qb9 h ALA 44 Ca -0.00 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 2qb9 h ALA 44 Cb 0.63 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2qb9 h ALA 44 CO 0.03 0.00 -0.53 -2.00 0.00 0.00 0.00 179.25 176.76 2qb9 s GLU 45 N -4.81 2.91 0.00 0.00 2.12 -0.49 -4.66 118.70 113.77 2qb9 s GLU 45 Ca -0.05 -1.07 0.00 0.00 0.36 0.00 0.00 54.97 54.22 2qb9 s GLU 45 Cb 0.16 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.99 2qb9 s GLU 45 CO 0.60 0.39 0.00 0.72 -0.54 0.00 0.00 175.26 176.43 2qb9 n HIS 46 N -1.18 0.00 0.00 5.30 8.25 -1.26 -4.79 115.22 121.54 2qb9 n HIS 46 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2qb9 n HIS 46 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2qb9 n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qb9 n LYS 47 N 0.00 0.00 0.00 -0.41 5.02 -1.21 -4.36 118.16 117.20 2qb9 n LYS 47 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qb9 n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2qb9 n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qb9 n LYS 48 N 0.00 0.42 -1.06 1.97 5.02 -1.26 -3.96 118.16 119.29 2qb9 n LYS 48 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2qb9 n LYS 48 Cb 0.00 -1.02 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 2qb9 n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qb9 n ASP 49 N -0.44 5.74 -0.34 4.39 2.03 -1.26 -4.68 116.55 121.99 2qb9 n ASP 49 Ca 0.00 -2.74 0.16 0.00 0.52 0.00 0.00 54.79 52.73 2qb9 n ASP 49 Cb 0.01 -1.29 0.32 0.00 -0.72 0.00 0.00 41.12 39.44 2qb9 n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2qb9 h HIS 50 N 2.56 0.04 -0.55 -0.67 3.86 -1.98 0.55 115.15 118.96 2qb9 h HIS 50 Ca 0.23 0.07 0.10 0.00 -1.16 0.00 0.00 60.37 59.61 2qb9 h HIS 50 Cb 1.15 0.15 -0.08 0.00 1.06 0.00 0.00 27.41 29.69 2qb9 h HIS 50 CO 1.37 -0.43 0.12 0.45 0.86 0.00 0.00 177.93 180.30 2qb9 h HIS 51 N 0.01 0.19 0.00 2.45 3.86 -1.95 0.11 115.15 119.82 2qb9 h HIS 51 Ca 0.62 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.79 2qb9 h HIS 51 Cb 1.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.78 2qb9 h HIS 51 CO -0.45 -0.01 -0.36 0.77 0.86 0.00 0.00 177.93 178.74 2qb9 h SER 52 N 0.25 0.00 -0.46 2.45 0.02 -1.32 -2.96 113.55 111.53 2qb9 h SER 52 Ca 0.28 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 2qb9 h SER 52 Cb 0.40 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2qb9 h SER 52 CO -0.36 0.36 0.11 -0.09 -1.14 0.00 0.00 176.83 175.71 2qb9 h ARG 53 N 0.00 0.73 -0.86 3.45 9.65 -0.01 -2.68 114.38 124.66 2qb9 h ARG 53 Ca -0.00 -0.18 0.19 0.00 -1.10 0.00 0.00 59.98 58.88 2qb9 h ARG 53 Cb 0.90 -0.09 -0.11 0.00 -1.39 0.00 0.00 29.97 29.27 2qb9 h ARG 53 CO 0.05 0.73 0.39 -0.09 2.80 0.00 0.00 179.97 183.85 2qb9 h ARG 54 N 0.61 0.46 0.17 0.20 1.12 -0.82 -0.85 114.38 115.27 2qb9 h ARG 54 Ca 0.14 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.98 2qb9 h ARG 54 Cb 0.33 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 2qb9 h ARG 54 CO 0.00 0.30 -0.08 0.78 -3.11 0.00 0.00 179.97 177.87 2qb9 h GLY 55 N 0.47 -0.23 -0.58 2.80 0.00 -1.55 -2.97 103.07 101.00 2qb9 h GLY 55 Ca 0.51 0.09 0.13 0.00 0.00 0.00 0.00 47.33 48.05 2qb9 h GLY 55 CO -0.46 -0.08 -0.32 -2.00 0.00 0.00 0.00 176.54 173.67 2qb9 h LEU 56 N -0.48 -1.15 -1.07 3.11 5.85 -0.87 0.21 115.31 120.92 2qb9 h LEU 56 Ca -0.02 0.25 0.14 0.00 0.84 0.00 0.00 57.88 59.08 2qb9 h LEU 56 Cb 0.37 0.60 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 2qb9 h LEU 56 CO 0.04 -0.29 0.62 -0.07 -0.34 0.00 0.00 178.44 178.39 2qb9 h LEU 57 N -0.10 0.85 -0.45 2.25 4.07 -1.29 -1.41 115.31 119.24 2qb9 h LEU 57 Ca 0.29 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.32 2qb9 h LEU 57 Cb 0.57 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 2qb9 h LEU 57 CO -0.78 0.42 0.27 -0.09 -1.08 0.00 0.00 178.44 177.19 2qb9 h ARG 58 N 0.90 0.54 -0.95 1.13 2.43 -0.43 0.28 114.38 118.27 2qb9 h ARG 58 Ca 0.50 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.71 2qb9 h ARG 58 Cb 0.61 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.97 2qb9 h ARG 58 CO -0.27 0.35 0.61 0.52 -1.51 0.00 0.00 179.97 179.68 2qb9 h MET 59 N 0.55 1.05 0.64 0.20 0.00 -0.87 0.41 114.93 116.91 2qb9 h MET 59 Ca 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 59.70 59.78 2qb9 h MET 59 Cb -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 31.60 31.36 2qb9 h MET 59 CO -0.07 0.69 -0.31 0.28 0.00 0.00 0.00 176.91 177.50 2qb9 h VAL 60 N 1.08 0.00 -0.72 -2.22 2.07 -0.77 -0.13 116.25 115.56 2qb9 h VAL 60 Ca 0.41 -0.12 0.16 0.00 0.82 0.00 0.00 66.70 67.97 2qb9 h VAL 60 Cb 0.21 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.87 2qb9 h VAL 60 CO -0.16 0.00 0.12 0.77 0.02 0.00 0.00 177.57 178.31 2qb9 h SER 61 N -0.98 -0.11 -0.22 0.57 4.64 -0.72 0.10 113.55 116.83 2qb9 h SER 61 Ca -0.09 0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2qb9 h SER 61 Cb 0.66 0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 2qb9 h SER 61 CO 0.15 -0.08 0.11 -0.61 -0.87 0.00 0.00 176.83 175.52 2qb9 h GLN 62 N 0.21 0.32 -0.82 4.77 4.15 -0.90 -0.40 115.11 122.43 2qb9 h GLN 62 Ca 0.40 -0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.90 2qb9 h GLN 62 Cb 0.70 -0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.24 2qb9 h GLN 62 CO -0.55 0.32 0.43 -0.09 -1.93 0.00 0.00 178.83 177.01 2qb9 h ARG 63 N 0.24 0.64 -0.09 1.69 2.43 0.62 0.36 114.38 120.28 2qb9 h ARG 63 Ca 0.08 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2qb9 h ARG 63 Cb 0.10 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2qb9 h ARG 63 CO -0.01 0.43 0.04 -0.09 -1.51 0.00 0.00 179.97 178.83 2qb9 h ARG 64 N 0.66 0.13 -0.00 0.20 9.65 -0.57 0.17 114.38 124.61 2qb9 h ARG 64 Ca 0.43 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.29 2qb9 h ARG 64 Cb 0.53 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.08 2qb9 h ARG 64 CO -0.32 0.20 0.01 0.87 2.80 0.00 0.00 179.97 183.53 2qb9 h LYS 65 N 0.02 0.00 0.00 0.20 1.57 0.44 0.11 116.57 118.91 2qb9 h LYS 65 Ca 0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 2qb9 h LYS 65 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2qb9 h LYS 65 CO -0.00 0.00 -0.54 -0.07 -0.57 0.00 0.00 179.45 178.26 2qb9 h LEU 66 N 0.00 0.00 -0.91 2.94 3.38 -0.18 -3.09 115.31 117.46 2qb9 h LEU 66 Ca 0.00 -0.29 0.17 0.00 0.09 0.00 0.00 57.88 57.84 2qb9 h LEU 66 Cb 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.68 2qb9 h LEU 66 CO -0.00 0.95 0.49 -0.07 0.09 0.00 0.00 178.44 179.90 2qb9 h LEU 67 N -1.00 0.60 -0.26 1.67 3.38 -0.39 0.26 115.31 119.58 2qb9 h LEU 67 Ca -0.10 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qb9 h LEU 67 Cb 0.70 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2qb9 h LEU 67 CO -0.06 0.23 0.14 0.44 0.09 0.00 0.00 178.44 179.28 2qb9 h ASP 68 N 0.66 0.32 -0.29 -0.43 5.19 -0.95 -2.10 116.42 118.81 2qb9 h ASP 68 Ca 0.51 -0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.86 2qb9 h ASP 68 Cb 0.76 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 2qb9 h ASP 68 CO -0.38 0.31 0.14 0.22 -3.12 0.00 0.00 179.24 176.41 2qb9 h TYR 69 N 0.31 0.26 -0.53 4.55 3.20 -0.81 -0.74 116.97 123.20 2qb9 h TYR 69 Ca 0.09 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.07 2qb9 h TYR 69 Cb 0.06 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.17 2qb9 h TYR 69 CO -0.04 0.14 0.05 1.25 -1.64 0.00 0.00 178.16 177.93 2qb9 h LEU 70 N 0.30 -0.13 -0.81 2.82 7.12 -0.35 -0.44 115.31 123.83 2qb9 h LEU 70 Ca 0.12 0.12 -0.09 0.00 0.13 0.00 0.00 57.88 58.15 2qb9 h LEU 70 Cb 0.04 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.34 2qb9 h LEU 70 CO -0.09 -0.04 -0.12 0.50 -0.13 0.00 0.00 178.44 178.57 2qb9 h LYS 71 N 0.17 0.77 0.00 1.25 3.11 -0.98 0.17 116.57 121.06 2qb9 h LYS 71 Ca 0.27 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2qb9 h LYS 71 Cb 0.41 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 2qb9 h LYS 71 CO -0.41 0.86 0.00 0.00 -2.81 0.00 0.00 179.45 177.09 2qb9 h ARG 72 N 0.70 0.00 0.00 1.90 3.08 0.22 -3.14 114.38 117.14 2qb9 h ARG 72 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2qb9 h ARG 72 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2qb9 h ARG 72 CO 0.04 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.57 2qb9 n LYS 73 N -2.30 1.87 0.00 0.04 4.76 -0.31 -4.94 118.16 117.28 2qb9 n LYS 73 Ca 0.03 -1.14 0.00 0.00 -2.87 0.00 0.00 58.31 54.33 2qb9 n LYS 73 Cb 0.27 -0.88 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 2qb9 n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2qb9 n ASP 74 N -0.33 0.00 0.33 4.39 -0.08 0.55 -5.01 116.55 116.41 2qb9 n ASP 74 Ca 0.00 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.43 2qb9 n ASP 74 Cb 0.28 0.00 0.81 0.00 2.34 0.00 0.00 41.12 44.55 2qb9 n ASP 74 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2qb9 h VAL 75 N 0.00 0.01 0.00 5.18 2.07 -1.69 -2.93 116.25 118.89 2qb9 h VAL 75 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2qb9 h VAL 75 Cb 0.00 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2qb9 h VAL 75 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2qb9 n ALA 76 N -1.89 -0.13 -0.34 1.67 0.00 -1.26 -2.62 120.51 115.94 2qb9 n ALA 76 Ca -0.02 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.63 2qb9 n ALA 76 Cb 0.39 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.28 2qb9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qb9 h ARG 77 N 0.00 0.45 0.30 0.00 3.08 -1.89 -1.86 114.38 114.46 2qb9 h ARG 77 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2qb9 h ARG 77 Cb 0.00 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2qb9 h ARG 77 CO 0.00 0.30 -0.49 -0.92 -1.07 0.00 0.00 179.97 177.79 2qb9 h TYR 78 N 0.47 -1.38 -0.53 3.04 3.20 -1.61 0.39 116.97 120.55 2qb9 h TYR 78 Ca 0.67 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.64 2qb9 h TYR 78 Cb 1.44 0.56 -0.06 0.00 1.54 0.00 0.00 36.73 40.21 2qb9 h TYR 78 CO -0.01 -0.60 0.17 1.79 -1.64 0.00 0.00 178.16 177.88 2qb9 h THR 79 N -0.84 0.79 -0.42 1.81 1.35 -1.10 -2.08 112.91 112.42 2qb9 h THR 79 Ca -0.03 -0.12 -0.11 0.00 -0.55 0.00 0.00 66.41 65.60 2qb9 h THR 79 Cb 0.77 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 2qb9 h THR 79 CO -0.16 0.06 -0.17 1.56 -0.25 0.00 0.00 175.52 176.57 2qb9 h GLN 80 N 0.34 0.80 -0.57 4.72 4.20 -1.28 -3.08 115.11 120.24 2qb9 h GLN 80 Ca 0.26 -0.30 0.03 0.00 0.06 0.00 0.00 58.65 58.71 2qb9 h GLN 80 Cb 0.31 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 2qb9 h GLN 80 CO -0.28 0.91 0.34 1.25 -0.67 0.00 0.00 178.83 180.38 2qb9 h LEU 81 N 0.71 0.54 -1.24 1.46 6.46 0.43 -2.07 115.31 121.60 2qb9 h LEU 81 Ca 0.11 0.01 0.13 0.00 -0.12 0.00 0.00 57.88 58.01 2qb9 h LEU 81 Cb 0.67 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.42 2qb9 h LEU 81 CO 0.05 0.37 0.58 0.40 -0.62 0.00 0.00 178.44 179.22 2qb9 h ILE 82 N 0.66 0.86 0.16 4.05 2.04 -1.32 -3.10 117.51 120.86 2qb9 h ILE 82 Ca 0.24 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2qb9 h ILE 82 Cb 0.05 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 2qb9 h ILE 82 CO -0.11 0.14 -0.14 -0.08 0.00 0.00 0.00 178.15 177.96 2qb9 h GLU 83 N 0.76 -0.28 0.00 2.37 4.57 -1.40 1.52 114.58 122.12 2qb9 h GLU 83 Ca 0.45 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.65 2qb9 h GLU 83 Cb 0.65 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2qb9 h GLU 83 CO -0.21 -0.19 0.07 0.54 -1.18 0.00 0.00 179.01 178.04 2qb9 n ARG 84 N -3.12 0.00 0.00 1.92 1.74 -1.18 -0.67 116.66 115.35 2qb9 n ARG 84 Ca -0.03 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 2qb9 n ARG 84 Cb 0.13 -1.57 -0.00 0.00 -1.02 0.00 0.00 32.46 30.00 2qb9 n ARG 84 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qb9 n LEU 85 N -1.36 0.34 -4.26 0.55 4.32 -0.94 -5.02 117.00 110.62 2qb9 n LEU 85 Ca 0.00 -0.67 -0.35 0.00 -0.02 0.00 0.00 56.01 54.97 2qb9 n LEU 85 Cb 0.07 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.82 2qb9 n LEU 85 CO 0.00 0.09 -0.14 0.61 -1.22 0.00 0.00 177.39 176.73 2qb9 n GLY 86 N 0.66 -0.36 0.00 -0.72 0.00 0.52 -4.94 105.19 100.34 2qb9 n GLY 86 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2qb9 n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qb9 n LEU 87 N -4.34 0.00 -3.25 0.99 4.77 -1.03 -4.63 117.00 109.50 2qb9 n LEU 87 Ca -0.02 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.76 2qb9 n LEU 87 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 2qb9 n LEU 87 CO 0.87 -0.30 -0.15 -1.14 -1.33 0.00 0.00 177.39 175.33 2qb9 n ARG 88 N -0.61 -0.90 -0.42 3.23 3.00 -1.26 -4.94 116.66 114.77 2qb9 n ARG 88 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 2qb9 n ARG 88 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 32.46 30.22 2qb9 n ARG 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17