#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb s LEU 3 N 0.00 4.06 0.12 -3.43 2.96 -1.26 -5.06 118.68 116.07 2qbb s LEU 3 Ca 0.00 0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 54.31 2qbb s LEU 3 Cb 0.00 -3.52 -0.06 0.00 0.50 0.00 0.00 46.19 43.10 2qbb s LEU 3 CO 0.00 -0.20 1.11 -0.94 -1.32 0.00 0.00 176.35 175.00 2qbb s SER 4 N -3.19 7.23 0.23 3.68 1.04 -1.26 -4.88 113.70 116.54 2qbb s SER 4 Ca 0.44 2.01 -0.08 0.00 0.48 0.00 0.00 55.95 58.80 2qbb s SER 4 Cb -0.11 -2.59 0.38 0.00 0.10 0.00 0.00 66.02 63.80 2qbb s SER 4 CO 0.30 -0.29 1.66 0.71 0.98 0.00 0.00 173.24 176.60 2qbb h THR 5 N 4.08 0.47 -0.05 2.02 1.35 -1.97 0.78 112.91 119.57 2qbb h THR 5 Ca -0.43 -0.06 0.04 0.00 -0.55 0.00 0.00 66.41 65.41 2qbb h THR 5 Cb 1.21 0.29 -0.05 0.00 -1.73 0.00 0.00 68.15 67.87 2qbb h THR 5 CO 0.75 0.03 -0.24 -0.08 -0.25 0.00 0.00 175.52 175.74 2qbb h GLU 6 N 0.16 -0.33 0.00 4.72 4.57 -2.00 -0.05 114.58 121.65 2qbb h GLU 6 Ca 0.37 0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.51 2qbb h GLU 6 Cb 0.63 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2qbb h GLU 6 CO -0.55 -0.22 -0.32 0.00 -1.18 0.00 0.00 179.01 176.74 2qbb h ALA 7 N 0.55 1.24 -1.00 2.92 0.00 -1.62 -2.61 119.26 118.74 2qbb h ALA 7 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2qbb h ALA 7 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qbb h ALA 7 CO -0.25 0.40 0.00 2.41 0.00 0.00 0.00 179.25 181.81 2qbb n THR 8 N -3.82 0.00 -0.30 0.00 -1.04 0.26 -1.97 114.28 107.40 2qbb n THR 8 Ca -0.01 1.10 0.14 0.00 -2.04 0.00 0.00 64.05 63.24 2qbb n THR 8 Cb 0.40 -2.03 0.31 0.00 -1.82 0.00 0.00 70.33 67.20 2qbb n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qbb h ALA 9 N -2.00 1.37 -0.24 2.41 0.00 -1.16 0.70 119.26 120.35 2qbb h ALA 9 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.18 2qbb h ALA 9 Cb 0.00 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2qbb h ALA 9 CO 0.00 -0.48 -0.39 -0.22 0.00 0.00 0.00 179.25 178.16 2qbb h LYS 10 N 0.23 -0.39 0.00 0.00 1.63 -1.49 -1.39 116.57 115.17 2qbb h LYS 10 Ca 0.58 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 60.30 2qbb h LYS 10 Cb 1.18 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.89 2qbb h LYS 10 CO -0.65 -0.26 -0.47 0.97 -3.45 0.00 0.00 179.45 175.59 2qbb h ILE 11 N -0.40 1.19 -0.11 2.00 2.10 -0.40 -2.84 117.51 119.05 2qbb h ILE 11 Ca 0.11 -1.71 -0.03 0.00 1.08 0.00 0.00 64.86 64.31 2qbb h ILE 11 Cb 0.59 1.96 -0.01 0.00 -1.09 0.00 0.00 36.82 38.27 2qbb h ILE 11 CO -0.45 0.46 -0.07 0.58 -1.08 0.00 0.00 178.15 177.59 2qbb h VAL 12 N 0.00 1.12 0.14 2.19 2.07 0.07 -2.91 116.25 118.93 2qbb h VAL 12 Ca -0.00 -0.51 -0.18 0.00 0.82 0.00 0.00 66.70 66.82 2qbb h VAL 12 Cb 0.92 1.12 0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2qbb h VAL 12 CO 0.06 0.16 -0.79 -1.28 0.02 0.00 0.00 177.57 175.74 2qbb h SER 13 N 0.16 0.45 -0.15 0.57 0.87 -1.07 0.34 113.55 114.72 2qbb h SER 13 Ca 0.04 -0.96 0.04 0.00 -1.23 0.00 0.00 61.79 59.68 2qbb h SER 13 Cb 0.23 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2qbb h SER 13 CO 0.01 1.38 0.20 -0.33 -0.53 0.00 0.00 176.83 177.56 2qbb h GLU 14 N -0.39 0.00 0.00 2.24 5.08 -1.34 -2.85 114.58 117.32 2qbb h GLU 14 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2qbb h GLU 14 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 2qbb h GLU 14 CO 0.15 0.00 -0.46 1.19 -1.00 0.00 0.00 179.01 178.89 2qbb n PHE 15 N -3.64 0.00 -1.69 4.33 3.01 -1.11 -5.04 117.46 113.31 2qbb n PHE 15 Ca 0.01 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.03 2qbb n PHE 15 Cb 0.31 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.74 2qbb n PHE 15 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qbb n GLY 16 N 1.60 1.35 0.28 1.37 0.00 0.12 -4.37 105.19 105.54 2qbb n GLY 16 Ca 0.00 0.64 0.11 0.00 0.00 0.00 0.00 46.02 46.77 2qbb n GLY 16 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qbb h ARG 17 N 6.43 0.00 0.00 1.61 2.47 -1.85 -3.44 114.38 119.60 2qbb h ARG 17 Ca -0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 2qbb h ARG 17 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 2qbb h ARG 17 CO 0.92 0.00 0.00 -0.40 0.56 0.00 0.00 179.97 181.05 2qbb n ASP 18 N -2.57 3.59 -4.51 7.04 5.68 -1.26 -5.12 116.55 119.39 2qbb n ASP 18 Ca -0.01 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.86 2qbb n ASP 18 Cb 0.44 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.33 2qbb n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qbb s ALA 19 N -1.00 3.47 -0.30 2.12 0.00 -1.26 -4.66 121.76 120.13 2qbb s ALA 19 Ca 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 51.96 50.51 2qbb s ALA 19 Cb 0.00 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.20 2qbb s ALA 19 CO 0.00 -1.32 0.28 -1.71 0.00 0.00 0.00 175.76 173.01 2qbb n ASN 20 N 5.46 -6.66 -2.87 0.00 5.15 -1.26 -5.04 115.26 110.05 2qbb n ASN 20 Ca -0.08 0.71 -0.12 0.00 -0.60 0.00 0.00 54.58 54.48 2qbb n ASN 20 Cb 0.48 -4.41 0.05 0.00 -0.53 0.00 0.00 39.78 35.38 2qbb n ASN 20 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2qbb n ASP 21 N 0.02 -1.49 0.00 1.20 5.75 -1.26 -4.97 116.55 115.80 2qbb n ASP 21 Ca 0.06 -3.45 0.00 0.00 -0.01 0.00 0.00 54.79 51.39 2qbb n ASP 21 Cb 0.21 1.17 0.02 0.00 -1.03 0.00 0.00 41.12 41.50 2qbb n ASP 21 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2qbb n THR 22 N 0.50 0.00 -0.04 2.12 -2.24 -1.26 -1.96 114.28 111.40 2qbb n THR 22 Ca 0.12 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.79 2qbb n THR 22 Cb 0.68 -0.62 -0.14 0.00 -2.10 0.00 0.00 70.33 68.15 2qbb n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbb n GLY 23 N -0.56 -0.91 3.45 3.38 0.00 -1.26 -4.67 105.19 104.62 2qbb n GLY 23 Ca 0.01 -0.13 -0.46 0.00 0.00 0.00 0.00 46.02 45.44 2qbb n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qbb n SER 24 N -3.07 -0.68 0.23 1.61 2.88 -0.83 -4.79 113.62 108.97 2qbb n SER 24 Ca -0.23 1.09 -0.15 0.00 -1.33 0.00 0.00 58.87 58.25 2qbb n SER 24 Cb 1.07 -1.05 -0.08 0.00 -0.75 0.00 0.00 64.21 63.40 2qbb n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qbb h THR 25 N 1.18 0.58 -0.75 2.46 2.02 -1.93 -2.66 112.91 113.81 2qbb h THR 25 Ca -0.33 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.00 2qbb h THR 25 Cb 1.41 0.58 -0.14 0.00 -1.74 0.00 0.00 68.15 68.26 2qbb h THR 25 CO 0.56 0.00 -0.16 -0.33 0.37 0.00 0.00 175.52 175.97 2qbb h GLU 26 N -0.54 0.01 0.11 6.66 3.07 -1.90 -0.78 114.58 121.21 2qbb h GLU 26 Ca -0.05 -0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.83 2qbb h GLU 26 Cb 0.43 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.29 2qbb h GLU 26 CO 0.07 0.01 -0.47 0.28 -1.40 0.00 0.00 179.01 177.50 2qbb h VAL 27 N 0.01 0.09 -0.27 3.13 2.07 -1.70 -1.82 116.25 117.76 2qbb h VAL 27 Ca 0.37 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.93 2qbb h VAL 27 Cb 0.59 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 2qbb h VAL 27 CO -0.76 0.00 -0.50 1.56 0.02 0.00 0.00 177.57 177.89 2qbb h GLN 28 N -0.69 -0.41 -0.72 1.57 4.20 -0.84 0.43 115.11 118.65 2qbb h GLN 28 Ca 0.01 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.86 2qbb h GLN 28 Cb 0.72 0.09 -0.12 0.00 0.30 0.00 0.00 27.48 28.47 2qbb h GLN 28 CO -0.27 -0.27 -0.43 0.28 -0.67 0.00 0.00 178.83 177.47 2qbb h VAL 29 N -0.43 0.07 0.47 -0.54 2.07 -1.15 0.25 116.25 116.99 2qbb h VAL 29 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2qbb h VAL 29 Cb 0.57 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2qbb h VAL 29 CO -0.48 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 176.75 2qbb h ALA 30 N 0.83 -0.85 -0.95 1.67 0.00 -0.47 0.29 119.26 119.78 2qbb h ALA 30 Ca 0.22 -0.15 0.25 0.00 0.00 0.00 0.00 54.91 55.23 2qbb h ALA 30 Cb 0.55 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 2qbb h ALA 30 CO -0.78 -1.01 0.48 -0.07 0.00 0.00 0.00 179.25 177.87 2qbb h LEU 31 N -0.83 0.45 0.03 0.00 3.38 0.10 -0.89 115.31 117.56 2qbb h LEU 31 Ca -0.05 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2qbb h LEU 31 Cb 0.71 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2qbb h LEU 31 CO 0.00 -0.01 -0.01 -0.07 0.09 0.00 0.00 178.44 178.44 2qbb h LEU 32 N 0.43 -0.04 -1.55 1.67 -0.00 -0.10 -3.14 115.31 112.58 2qbb h LEU 32 Ca 0.62 -0.45 0.26 0.00 -0.00 0.00 0.00 57.88 58.31 2qbb h LEU 32 Cb 1.23 0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 41.83 2qbb h LEU 32 CO -0.54 0.43 0.67 0.74 -0.00 0.00 0.00 178.44 179.74 2qbb h THR 33 N -0.52 0.56 0.42 0.22 2.02 0.39 -0.41 112.91 115.59 2qbb h THR 33 Ca -0.00 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2qbb h THR 33 Cb 0.48 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2qbb h THR 33 CO 0.01 0.06 -0.20 0.00 0.37 0.00 0.00 175.52 175.75 2qbb h ALA 34 N 1.58 -1.09 -0.96 6.16 0.00 -1.27 -0.07 119.26 123.61 2qbb h ALA 34 Ca 0.53 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.59 2qbb h ALA 34 Cb 1.51 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2qbb h ALA 34 CO -0.19 -1.05 0.67 1.96 0.00 0.00 0.00 179.25 180.64 2qbb h GLN 35 N -0.59 0.11 0.01 0.00 4.20 -1.39 0.68 115.11 118.13 2qbb h GLN 35 Ca -0.06 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 2qbb h GLN 35 Cb 0.43 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2qbb h GLN 35 CO 0.10 0.07 -0.01 0.82 -0.67 0.00 0.00 178.83 179.14 2qbb h ILE 36 N 0.11 0.00 -0.43 2.54 1.08 -0.75 0.52 117.51 120.58 2qbb h ILE 36 Ca 0.47 -0.01 0.12 0.00 -0.39 0.00 0.00 64.86 65.06 2qbb h ILE 36 Cb 1.69 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 2qbb h ILE 36 CO -0.07 0.00 0.32 0.78 -0.69 0.00 0.00 178.15 178.49 2qbb h ASN 37 N -0.02 0.00 0.12 1.72 4.21 -0.62 -1.28 115.58 119.70 2qbb h ASN 37 Ca -0.00 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.24 2qbb h ASN 37 Cb 0.01 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.23 2qbb h ASN 37 CO 0.00 0.00 -1.09 -0.74 -1.29 0.00 0.00 177.43 174.32 2qbb h HIS 38 N 0.00 0.95 -0.22 1.19 2.76 -0.91 -3.31 115.15 115.61 2qbb h HIS 38 Ca 0.20 -0.54 -0.13 0.00 -2.20 0.00 0.00 60.37 57.70 2qbb h HIS 38 Cb 0.84 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 2qbb h HIS 38 CO 0.00 1.38 -0.41 1.25 -1.30 0.00 0.00 177.93 178.85 2qbb h LEU 39 N 0.33 0.54 -0.79 0.26 5.85 0.23 -3.12 115.31 118.62 2qbb h LEU 39 Ca -0.14 -0.24 0.18 0.00 0.84 0.00 0.00 57.88 58.53 2qbb h LEU 39 Cb 1.74 -0.15 -0.14 0.00 0.37 0.00 0.00 40.66 42.49 2qbb h LEU 39 CO 0.21 0.89 0.03 1.56 -0.34 0.00 0.00 178.44 180.79 2qbb h GLN 40 N 0.42 0.11 -0.57 1.25 4.20 -1.44 0.41 115.11 119.49 2qbb h GLN 40 Ca 0.04 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.86 2qbb h GLN 40 Cb 0.89 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.55 2qbb h GLN 40 CO 0.08 0.07 -0.02 0.78 -0.67 0.00 0.00 178.83 179.07 2qbb h GLY 41 N 0.11 0.57 0.96 3.46 0.00 -1.69 0.99 103.07 107.47 2qbb h GLY 41 Ca 0.44 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 2qbb h GLY 41 CO -0.68 -0.18 0.21 0.84 0.00 0.00 0.00 176.54 176.73 2qbb h HIS 42 N 0.10 0.58 0.00 5.60 -0.00 -0.42 -2.56 115.15 118.45 2qbb h HIS 42 Ca 0.29 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.59 2qbb h HIS 42 Cb 0.46 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 2qbb h HIS 42 CO -0.36 0.46 -0.25 0.74 -0.00 0.00 0.00 177.93 178.52 2qbb h PHE 43 N 0.53 0.00 -0.01 5.26 0.05 0.77 -1.18 116.94 122.35 2qbb h PHE 43 Ca 0.14 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.94 2qbb h PHE 43 Cb 0.09 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.04 2qbb h PHE 43 CO -0.02 0.25 0.01 0.00 -0.18 0.00 0.00 178.31 178.38 2qbb h ALA 44 N 1.75 1.69 -2.20 2.45 0.00 0.14 -3.19 119.26 119.90 2qbb h ALA 44 Ca -0.00 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 2qbb h ALA 44 Cb 0.62 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2qbb h ALA 44 CO 0.03 -0.02 -0.54 -2.00 0.00 0.00 0.00 179.25 176.73 2qbb s GLU 45 N -4.77 2.88 0.00 0.00 2.12 -0.45 -4.67 118.70 113.82 2qbb s GLU 45 Ca -0.05 -1.08 0.00 0.00 0.36 0.00 0.00 54.97 54.20 2qbb s GLU 45 Cb 0.16 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 32.01 2qbb s GLU 45 CO 0.58 0.40 0.00 0.72 -0.54 0.00 0.00 175.26 176.42 2qbb n HIS 46 N -1.16 0.00 0.00 5.30 8.25 -1.26 -4.79 115.22 121.56 2qbb n HIS 46 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2qbb n HIS 46 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2qbb n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qbb n LYS 47 N 0.00 0.00 0.00 -0.41 5.02 -1.21 -4.37 118.16 117.19 2qbb n LYS 47 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qbb n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2qbb n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qbb n LYS 48 N 0.00 0.43 -0.98 1.97 5.02 -1.26 -3.94 118.16 119.40 2qbb n LYS 48 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2qbb n LYS 48 Cb 0.00 -1.02 -0.07 0.00 -0.02 0.00 0.00 35.03 33.91 2qbb n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qbb n ASP 49 N -0.41 5.74 -0.33 4.39 2.03 -1.26 -4.68 116.55 122.03 2qbb n ASP 49 Ca 0.00 -2.72 0.16 0.00 0.52 0.00 0.00 54.79 52.74 2qbb n ASP 49 Cb 0.01 -1.25 0.31 0.00 -0.72 0.00 0.00 41.12 39.47 2qbb n ASP 49 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2qbb n HIS 50 N 1.56 0.65 -0.18 -0.67 8.25 -1.25 -0.49 115.22 123.09 2qbb n HIS 50 Ca 0.32 1.14 -0.01 0.00 -0.26 0.00 0.00 57.72 58.92 2qbb n HIS 50 Cb 0.69 -1.24 0.09 0.00 1.12 0.00 0.00 29.99 30.64 2qbb n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2qbb h HIS 51 N 0.00 0.21 0.00 4.41 3.86 -1.95 0.11 115.15 121.79 2qbb h HIS 51 Ca 0.60 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.77 2qbb h HIS 51 Cb 1.28 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.73 2qbb h HIS 51 CO -0.44 -0.00 -0.34 0.77 0.86 0.00 0.00 177.93 178.79 2qbb h SER 52 N 0.27 0.00 -0.36 2.45 0.02 -1.18 -3.00 113.55 111.75 2qbb h SER 52 Ca 0.29 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 2qbb h SER 52 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2qbb h SER 52 CO -0.35 0.34 0.07 -0.09 -1.14 0.00 0.00 176.83 175.65 2qbb h ARG 53 N 0.00 0.59 -0.88 3.45 9.65 -0.06 -2.72 114.38 124.42 2qbb h ARG 53 Ca -0.00 -0.15 0.20 0.00 -1.10 0.00 0.00 59.98 58.93 2qbb h ARG 53 Cb 0.89 -0.07 -0.12 0.00 -1.39 0.00 0.00 29.97 29.28 2qbb h ARG 53 CO 0.04 0.65 0.38 -0.09 2.80 0.00 0.00 179.97 183.76 2qbb h ARG 54 N 0.43 0.41 0.11 0.20 1.12 -0.84 -0.25 114.38 115.57 2qbb h ARG 54 Ca 0.11 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.95 2qbb h ARG 54 Cb 0.34 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.21 2qbb h ARG 54 CO 0.00 0.27 -0.05 0.78 -3.11 0.00 0.00 179.97 177.86 2qbb h GLY 55 N 0.42 -0.16 -0.51 2.80 0.00 -1.56 -2.95 103.07 101.11 2qbb h GLY 55 Ca 0.53 0.06 0.12 0.00 0.00 0.00 0.00 47.33 48.04 2qbb h GLY 55 CO -0.50 -0.06 -0.31 -2.00 0.00 0.00 0.00 176.54 173.66 2qbb h LEU 56 N -0.39 -1.11 -0.99 3.11 5.85 -0.78 0.13 115.31 121.13 2qbb h LEU 56 Ca -0.02 0.24 0.14 0.00 0.84 0.00 0.00 57.88 59.08 2qbb h LEU 56 Cb 0.32 0.58 -0.09 0.00 0.37 0.00 0.00 40.66 41.84 2qbb h LEU 56 CO 0.03 -0.29 0.61 -0.07 -0.34 0.00 0.00 178.44 178.37 2qbb h LEU 57 N -0.11 0.86 -0.48 2.25 4.07 -1.28 -1.41 115.31 119.22 2qbb h LEU 57 Ca 0.27 0.06 0.03 0.00 0.08 0.00 0.00 57.88 58.32 2qbb h LEU 57 Cb 0.56 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 2qbb h LEU 57 CO -0.74 0.43 0.27 -0.09 -1.08 0.00 0.00 178.44 177.23 2qbb h ARG 58 N 0.92 0.53 -0.92 1.13 2.43 -0.57 0.52 114.38 118.41 2qbb h ARG 58 Ca 0.51 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.71 2qbb h ARG 58 Cb 0.58 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 2qbb h ARG 58 CO -0.30 0.35 0.58 0.52 -1.51 0.00 0.00 179.97 179.61 2qbb h MET 59 N 0.54 1.02 0.74 0.20 0.00 -0.86 0.52 114.93 117.08 2qbb h MET 59 Ca 0.20 -0.06 -0.04 0.00 0.00 0.00 0.00 59.70 59.80 2qbb h MET 59 Cb 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 31.60 31.42 2qbb h MET 59 CO -0.10 0.68 -0.35 0.28 0.00 0.00 0.00 176.91 177.41 2qbb h VAL 60 N 1.05 0.00 -0.71 -2.22 2.07 -0.75 0.13 116.25 115.81 2qbb h VAL 60 Ca 0.40 -0.07 0.16 0.00 0.82 0.00 0.00 66.70 68.01 2qbb h VAL 60 Cb 0.18 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.84 2qbb h VAL 60 CO -0.18 0.00 0.10 0.77 0.02 0.00 0.00 177.57 178.28 2qbb h SER 61 N -1.06 -0.13 -0.30 0.57 4.64 -0.68 0.08 113.55 116.67 2qbb h SER 61 Ca -0.10 0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2qbb h SER 61 Cb 0.76 0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2qbb h SER 61 CO 0.17 -0.09 0.15 -0.61 -0.87 0.00 0.00 176.83 175.58 2qbb h GLN 62 N 0.19 0.42 -0.81 4.77 4.15 -0.85 -0.54 115.11 122.45 2qbb h GLN 62 Ca 0.40 -0.06 0.11 0.00 0.77 0.00 0.00 58.65 59.87 2qbb h GLN 62 Cb 0.68 -0.08 -0.08 0.00 0.21 0.00 0.00 27.48 28.21 2qbb h GLN 62 CO -0.55 0.39 0.43 -0.09 -1.93 0.00 0.00 178.83 177.08 2qbb h ARG 63 N 0.35 0.67 -0.00 1.69 2.43 0.74 0.11 114.38 120.37 2qbb h ARG 63 Ca 0.10 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2qbb h ARG 63 Cb 0.10 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2qbb h ARG 63 CO -0.01 0.44 0.00 -0.09 -1.51 0.00 0.00 179.97 178.80 2qbb h ARG 64 N 0.69 0.00 -0.02 0.20 9.65 -0.56 0.16 114.38 124.50 2qbb h ARG 64 Ca 0.41 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.30 2qbb h ARG 64 Cb 0.47 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.05 2qbb h ARG 64 CO -0.29 0.10 0.06 0.87 2.80 0.00 0.00 179.97 183.50 2qbb h LYS 65 N -0.10 0.00 0.00 0.20 1.57 0.19 0.12 116.57 118.55 2qbb h LYS 65 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2qbb h LYS 65 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2qbb h LYS 65 CO -0.00 0.00 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.32 2qbb h LEU 66 N 0.00 0.00 -0.96 2.94 3.38 -0.19 -3.09 115.31 117.40 2qbb h LEU 66 Ca 0.01 -0.22 0.19 0.00 0.09 0.00 0.00 57.88 57.95 2qbb h LEU 66 Cb 0.13 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.77 2qbb h LEU 66 CO -0.00 0.88 0.55 -0.07 0.09 0.00 0.00 178.44 179.88 2qbb h LEU 67 N -1.00 0.68 -0.28 1.67 3.38 -0.38 0.29 115.31 119.66 2qbb h LEU 67 Ca -0.07 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2qbb h LEU 67 Cb 0.61 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2qbb h LEU 67 CO -0.05 0.23 0.15 0.44 0.09 0.00 0.00 178.44 179.30 2qbb h ASP 68 N 0.69 0.36 -0.37 -0.43 5.19 -0.93 -2.09 116.42 118.83 2qbb h ASP 68 Ca 0.55 -0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.87 2qbb h ASP 68 Cb 0.87 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 2qbb h ASP 68 CO -0.40 0.36 0.23 0.22 -3.12 0.00 0.00 179.24 176.53 2qbb h TYR 69 N 0.33 0.42 -0.51 4.55 3.20 -0.69 -0.72 116.97 123.55 2qbb h TYR 69 Ca 0.10 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.07 2qbb h TYR 69 Cb 0.09 -0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.15 2qbb h TYR 69 CO -0.03 0.25 0.07 1.25 -1.64 0.00 0.00 178.16 178.07 2qbb h LEU 70 N 0.46 -0.06 -0.85 2.82 7.12 -0.32 -0.64 115.31 123.84 2qbb h LEU 70 Ca 0.14 0.10 -0.10 0.00 0.13 0.00 0.00 57.88 58.15 2qbb h LEU 70 Cb -0.01 0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 2qbb h LEU 70 CO -0.06 -0.00 -0.23 0.50 -0.13 0.00 0.00 178.44 178.52 2qbb h LYS 71 N 0.20 0.60 0.00 1.25 3.11 -1.02 0.13 116.57 120.84 2qbb h LYS 71 Ca 0.26 -0.23 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 2qbb h LYS 71 Cb 0.36 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 2qbb h LYS 71 CO -0.36 0.78 0.00 0.54 -2.81 0.00 0.00 179.45 177.60 2qbb n ARG 72 N -4.12 0.21 0.00 1.90 1.74 -0.31 -3.24 116.66 112.85 2qbb n ARG 72 Ca -0.00 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2qbb n ARG 72 Cb 0.41 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2qbb n ARG 72 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qbb n LYS 73 N -2.26 1.70 0.00 5.56 4.76 -0.37 -4.94 118.16 122.61 2qbb n LYS 73 Ca 0.03 -1.08 0.00 0.00 -2.87 0.00 0.00 58.31 54.39 2qbb n LYS 73 Cb 0.28 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.61 2qbb n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2qbb n ASP 74 N -0.30 0.00 0.31 4.39 -0.08 0.43 -5.01 116.55 116.28 2qbb n ASP 74 Ca 0.00 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.42 2qbb n ASP 74 Cb 0.28 0.00 0.77 0.00 2.34 0.00 0.00 41.12 44.51 2qbb n ASP 74 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2qbb h VAL 75 N 0.00 0.00 0.00 5.18 2.07 -1.69 -2.94 116.25 118.87 2qbb h VAL 75 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2qbb h VAL 75 Cb 0.00 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2qbb h VAL 75 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2qbb n ALA 76 N -1.85 -0.15 -0.34 1.67 0.00 -1.26 -2.69 120.51 115.89 2qbb n ALA 76 Ca -0.02 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.59 2qbb n ALA 76 Cb 0.35 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.18 2qbb n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbb h ARG 77 N 0.00 0.52 0.15 0.00 3.08 -1.89 -2.11 114.38 114.14 2qbb h ARG 77 Ca 0.00 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2qbb h ARG 77 Cb 0.00 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 2qbb h ARG 77 CO 0.00 0.35 -0.45 -0.92 -1.07 0.00 0.00 179.97 177.88 2qbb h TYR 78 N 0.54 -1.30 -0.56 3.04 3.20 -1.62 0.45 116.97 120.73 2qbb h TYR 78 Ca 0.64 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.63 2qbb h TYR 78 Cb 1.23 0.55 -0.07 0.00 1.54 0.00 0.00 36.73 39.98 2qbb h TYR 78 CO -0.02 -0.52 0.16 1.79 -1.64 0.00 0.00 178.16 177.92 2qbb h THR 79 N -0.68 0.74 -0.33 1.81 1.35 -1.17 -1.83 112.91 112.79 2qbb h THR 79 Ca -0.01 -0.11 -0.11 0.00 -0.55 0.00 0.00 66.41 65.63 2qbb h THR 79 Cb 0.67 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 2qbb h THR 79 CO -0.22 0.06 -0.24 1.56 -0.25 0.00 0.00 175.52 176.43 2qbb h GLN 80 N 0.31 0.64 -0.53 4.72 4.20 -1.22 -3.09 115.11 120.15 2qbb h GLN 80 Ca 0.28 -0.26 0.02 0.00 0.06 0.00 0.00 58.65 58.75 2qbb h GLN 80 Cb 0.37 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 2qbb h GLN 80 CO -0.32 0.83 0.33 1.25 -0.67 0.00 0.00 178.83 180.24 2qbb h LEU 81 N 0.56 0.55 -1.28 1.46 6.46 0.71 -2.22 115.31 121.55 2qbb h LEU 81 Ca 0.08 -0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.96 2qbb h LEU 81 Cb 0.71 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.45 2qbb h LEU 81 CO 0.05 0.39 0.57 0.40 -0.62 0.00 0.00 178.44 179.23 2qbb h ILE 82 N 0.66 0.87 0.19 4.05 2.04 -1.32 -3.09 117.51 120.91 2qbb h ILE 82 Ca 0.21 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2qbb h ILE 82 Cb -0.02 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 2qbb h ILE 82 CO -0.07 0.13 -0.17 -0.08 0.00 0.00 0.00 178.15 177.96 2qbb h GLU 83 N 0.73 -0.34 0.00 2.37 4.57 -1.43 1.56 114.58 122.05 2qbb h GLU 83 Ca 0.43 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 2qbb h GLU 83 Cb 0.62 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2qbb h GLU 83 CO -0.19 -0.23 0.04 0.54 -1.18 0.00 0.00 179.01 177.99 2qbb n ARG 84 N -3.32 0.00 0.00 1.92 1.74 -1.18 -0.86 116.66 114.96 2qbb n ARG 84 Ca -0.04 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 2qbb n ARG 84 Cb 0.16 -1.54 -0.00 0.00 -1.02 0.00 0.00 32.46 30.06 2qbb n ARG 84 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qbb n LEU 85 N -1.39 0.39 -4.27 0.55 4.32 -0.94 -5.02 117.00 110.63 2qbb n LEU 85 Ca 0.00 -0.68 -0.35 0.00 -0.02 0.00 0.00 56.01 54.96 2qbb n LEU 85 Cb 0.04 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.79 2qbb n LEU 85 CO 0.00 0.10 -0.18 0.61 -1.22 0.00 0.00 177.39 176.70 2qbb n GLY 86 N 0.65 -0.34 0.00 -0.72 0.00 0.53 -4.94 105.19 100.37 2qbb n GLY 86 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2qbb n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbb n LEU 87 N -4.35 0.00 -3.23 0.99 4.77 -1.04 -4.64 117.00 109.50 2qbb n LEU 87 Ca -0.06 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 2qbb n LEU 87 Cb 0.55 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 2qbb n LEU 87 CO 0.86 -0.29 -0.14 -1.14 -1.33 0.00 0.00 177.39 175.36 2qbb n ARG 88 N -0.58 -0.88 -0.44 3.23 3.00 -1.26 -4.94 116.66 114.79 2qbb n ARG 88 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 2qbb n ARG 88 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 32.46 30.12 2qbb n ARG 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17