#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb n ILE 3 N 0.00 -0.02 0.00 -1.44 5.41 -1.26 -4.55 119.36 117.50 2qbb n ILE 3 Ca 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.33 2qbb n ILE 3 Cb 0.00 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 2qbb n ILE 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2qbb n LYS 4 N 7.89 0.00 0.24 0.38 0.00 -1.26 -4.99 118.16 120.42 2qbb n LYS 4 Ca 0.56 0.00 0.15 0.00 0.00 0.00 0.00 58.31 59.02 2qbb n LYS 4 Cb 0.26 0.00 0.79 0.00 0.00 0.00 0.00 35.03 36.09 2qbb n LYS 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2qbb h SER 5 N 0.00 0.00 -0.57 3.14 4.64 -2.05 -1.85 113.55 116.85 2qbb h SER 5 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 2qbb h SER 5 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2qbb h SER 5 CO 0.00 0.00 0.47 0.00 -0.87 0.00 0.00 176.83 176.43 2qbb h ALA 6 N 1.86 2.44 -0.81 5.18 0.00 -1.94 -1.96 119.26 124.02 2qbb h ALA 6 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.05 2qbb h ALA 6 Cb 0.12 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.80 2qbb h ALA 6 CO 0.00 -0.77 -0.21 -0.22 0.00 0.00 0.00 179.25 178.06 2qbb h LYS 7 N 0.00 -0.00 -0.37 0.00 3.64 -1.57 0.34 116.57 118.60 2qbb h LYS 7 Ca 0.27 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 2qbb h LYS 7 Cb 1.21 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2qbb h LYS 7 CO -0.00 -0.00 0.16 -0.22 -2.27 0.00 0.00 179.45 177.11 2qbb h LYS 8 N -0.00 0.55 -0.57 1.90 3.64 -1.62 -2.78 116.57 117.70 2qbb h LYS 8 Ca 0.39 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 59.75 2qbb h LYS 8 Cb 0.59 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 2qbb h LYS 8 CO -0.84 0.52 0.22 -0.09 -2.27 0.00 0.00 179.45 177.00 2qbb h ARG 9 N 0.46 0.40 -0.64 1.90 9.65 -0.60 0.41 114.38 125.95 2qbb h ARG 9 Ca 0.13 -0.02 0.12 0.00 -1.10 0.00 0.00 59.98 59.10 2qbb h ARG 9 Cb 0.17 -0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 28.58 2qbb h ARG 9 CO -0.01 0.26 0.20 0.00 2.80 0.00 0.00 179.97 183.22 2qbb h ALA 10 N 1.38 0.82 -0.05 2.80 0.00 -0.37 0.22 119.26 124.05 2qbb h ALA 10 Ca 0.28 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 2qbb h ALA 10 Cb 0.31 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2qbb h ALA 10 CO -0.27 -0.25 -0.45 0.82 0.00 0.00 0.00 179.25 179.10 2qbb h ILE 11 N 0.34 1.42 -0.66 0.00 2.04 -1.12 -1.93 117.51 117.61 2qbb h ILE 11 Ca 0.34 -1.87 0.11 0.00 1.00 0.00 0.00 64.86 64.44 2qbb h ILE 11 Cb 0.49 2.40 -0.08 0.00 -0.74 0.00 0.00 36.82 38.88 2qbb h ILE 11 CO -0.38 0.55 0.22 -0.61 0.00 0.00 0.00 178.15 177.93 2qbb h GLN 12 N -0.08 0.37 -0.03 2.37 4.15 0.43 0.19 115.11 122.51 2qbb h GLN 12 Ca -0.04 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 2qbb h GLN 12 Cb 1.12 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.73 2qbb h GLN 12 CO 0.09 0.24 -0.02 1.03 -1.93 0.00 0.00 178.83 178.24 2qbb h SER 13 N 0.38 0.07 0.01 -0.69 0.87 -0.63 -2.37 113.55 111.19 2qbb h SER 13 Ca 0.35 -0.47 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 2qbb h SER 13 Cb 0.48 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 2qbb h SER 13 CO -0.37 0.52 -0.18 -0.08 -0.53 0.00 0.00 176.83 176.19 2qbb h GLU 14 N -0.38 -0.29 -0.53 2.24 4.22 -0.79 0.24 114.58 119.29 2qbb h GLU 14 Ca 0.01 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2qbb h GLU 14 Cb 0.50 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2qbb h GLU 14 CO 0.01 -0.20 0.34 0.87 -2.18 0.00 0.00 179.01 177.85 2qbb h LYS 15 N -0.30 0.70 -0.46 1.92 1.79 -0.71 -1.55 116.57 117.96 2qbb h LYS 15 Ca 0.05 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.38 2qbb h LYS 15 Cb 0.37 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 2qbb h LYS 15 CO -0.17 0.48 -0.10 0.00 -1.08 0.00 0.00 179.45 178.58 2qbb h ALA 16 N 1.65 0.97 -0.63 3.86 0.00 -0.79 -2.99 119.26 121.32 2qbb h ALA 16 Ca 0.19 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2qbb h ALA 16 Cb -0.06 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 2qbb h ALA 16 CO -0.04 0.61 0.26 -0.09 0.00 0.00 0.00 179.25 179.99 2qbb h ARG 17 N 0.74 0.44 -0.59 0.00 1.12 0.08 -1.42 114.38 114.76 2qbb h ARG 17 Ca 0.13 -0.03 0.11 0.00 -1.11 0.00 0.00 59.98 59.08 2qbb h ARG 17 Cb 0.59 -0.10 -0.08 0.00 -0.01 0.00 0.00 29.97 30.37 2qbb h ARG 17 CO 0.04 0.29 0.14 0.87 -3.11 0.00 0.00 179.97 178.20 2qbb h LYS 18 N 0.46 0.26 -0.34 0.20 1.57 -1.42 0.23 116.57 117.52 2qbb h LYS 18 Ca 0.32 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 2qbb h LYS 18 Cb 0.37 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2qbb h LYS 18 CO -0.29 0.17 0.13 1.25 -0.57 0.00 0.00 179.45 180.14 2qbb h HIS 19 N 0.27 0.53 -0.27 -1.35 2.76 -1.37 -2.22 115.15 113.50 2qbb h HIS 19 Ca 0.31 -0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.46 2qbb h HIS 19 Cb 0.44 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 2qbb h HIS 19 CO -0.24 0.51 0.10 -0.91 -1.30 0.00 0.00 177.93 176.09 2qbb h ASN 20 N 0.41 0.11 0.30 3.26 4.21 -0.26 -1.76 115.58 121.85 2qbb h ASN 20 Ca 0.11 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.65 2qbb h ASN 20 Cb 0.21 0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 2qbb h ASN 20 CO -0.01 0.10 -0.45 0.00 -1.29 0.00 0.00 177.43 175.78 2qbb h ALA 21 N 1.17 -1.04 -0.30 -0.83 0.00 -0.43 0.43 119.26 118.25 2qbb h ALA 21 Ca 0.12 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2qbb h ALA 21 Cb 0.08 0.74 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 2qbb h ALA 21 CO -0.12 -1.10 -0.39 0.66 0.00 0.00 0.00 179.25 178.30 2qbb h SER 22 N -0.79 -1.27 -1.00 0.00 4.64 -1.31 0.60 113.55 114.42 2qbb h SER 22 Ca -0.04 0.19 0.06 0.00 -0.47 0.00 0.00 61.79 61.54 2qbb h SER 22 Cb 0.72 0.55 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 2qbb h SER 22 CO -0.13 -0.37 0.65 0.03 -0.87 0.00 0.00 176.83 176.13 2qbb h ARG 23 N -0.36 1.16 -0.11 4.77 2.47 -1.16 -1.62 114.38 119.53 2qbb h ARG 23 Ca 0.13 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 2qbb h ARG 23 Cb 0.58 -0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2qbb h ARG 23 CO -0.50 0.77 0.04 -0.09 0.56 0.00 0.00 179.97 180.75 2qbb h ARG 24 N 1.20 0.18 0.11 0.04 2.43 0.17 -2.74 114.38 115.76 2qbb h ARG 24 Ca 0.42 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.58 2qbb h ARG 24 Cb 0.13 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2qbb h ARG 24 CO -0.16 0.31 -0.31 0.77 -1.51 0.00 0.00 179.97 179.07 2qbb h SER 25 N 0.01 -0.90 -0.45 -3.80 0.02 0.76 -0.05 113.55 109.14 2qbb h SER 25 Ca 0.04 0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.18 2qbb h SER 25 Cb 0.20 0.34 -0.09 0.00 0.14 0.00 0.00 62.40 62.99 2qbb h SER 25 CO -0.00 -0.40 -0.14 -0.03 -1.14 0.00 0.00 176.83 175.12 2qbb h MET 26 N -0.53 -0.04 0.33 3.45 1.85 -1.32 0.40 114.93 119.08 2qbb h MET 26 Ca 0.03 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.11 2qbb h MET 26 Cb 0.56 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.60 2qbb h MET 26 CO -0.19 -0.02 -0.16 1.98 -0.40 0.00 0.00 176.91 178.12 2qbb h MET 27 N -0.04 -0.43 -0.57 0.39 -1.53 -1.21 -2.44 114.93 109.10 2qbb h MET 27 Ca 0.22 0.03 0.11 0.00 -3.44 0.00 0.00 59.70 56.62 2qbb h MET 27 Cb 0.37 0.10 -0.11 0.00 -0.55 0.00 0.00 31.60 31.41 2qbb h MET 27 CO -0.48 -0.26 -0.22 0.00 0.14 0.00 0.00 176.91 176.08 2qbb h ARG 28 N -0.47 -0.08 -0.11 0.39 2.47 -0.36 -2.35 114.38 113.87 2qbb h ARG 28 Ca -0.05 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2qbb h ARG 28 Cb 0.36 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 2qbb h ARG 28 CO 0.07 -0.05 -0.05 1.79 0.56 0.00 0.00 179.97 182.30 2qbb h THR 29 N -0.08 0.84 -0.71 2.04 1.35 -0.79 -2.34 112.91 113.22 2qbb h THR 29 Ca 0.26 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 66.22 2qbb h THR 29 Cb 0.49 0.84 -0.05 0.00 -1.73 0.00 0.00 68.15 67.71 2qbb h THR 29 CO -0.63 0.00 0.47 -0.26 -0.25 0.00 0.00 175.52 174.85 2qbb h PHE 30 N -0.04 0.63 -0.52 4.73 -1.00 -0.94 -1.27 116.94 118.53 2qbb h PHE 30 Ca 0.06 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.77 2qbb h PHE 30 Cb 0.12 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 2qbb h PHE 30 CO -0.17 0.30 -0.01 0.82 -1.61 0.00 0.00 178.31 177.64 2qbb h ILE 31 N 0.59 1.25 -0.45 -0.55 2.04 -0.94 -3.10 117.51 116.36 2qbb h ILE 31 Ca 0.33 -1.08 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 2qbb h ILE 31 Cb 0.48 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2qbb h ILE 31 CO -0.11 0.38 -0.16 0.11 0.00 0.00 0.00 178.15 178.37 2qbb h LYS 32 N 0.82 0.86 -0.70 2.37 1.57 -0.84 -2.75 116.57 117.90 2qbb h LYS 32 Ca 0.15 -0.32 0.10 0.00 -1.87 0.00 0.00 60.65 58.71 2qbb h LYS 32 Cb 0.51 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 2qbb h LYS 32 CO 0.03 0.96 0.46 0.87 -0.57 0.00 0.00 179.45 181.19 2qbb h LYS 33 N 0.76 0.55 -0.15 3.15 1.57 -1.41 0.46 116.57 121.49 2qbb h LYS 33 Ca 0.11 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2qbb h LYS 33 Cb 0.68 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2qbb h LYS 33 CO 0.05 0.36 0.09 0.28 -0.57 0.00 0.00 179.45 179.66 2qbb h VAL 34 N 0.56 1.08 0.06 0.50 2.07 -1.52 -2.15 116.25 116.86 2qbb h VAL 34 Ca 0.32 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.65 2qbb h VAL 34 Cb 0.51 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2qbb h VAL 34 CO -0.11 0.07 -0.08 0.22 0.02 0.00 0.00 177.57 177.69 2qbb h TYR 35 N 0.17 -0.20 -0.67 1.57 3.20 -1.01 -2.01 116.97 118.02 2qbb h TYR 35 Ca 0.05 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.05 2qbb h TYR 35 Cb 0.04 0.08 -0.13 0.00 1.54 0.00 0.00 36.73 38.26 2qbb h TYR 35 CO -0.05 -0.12 -0.26 0.00 -1.64 0.00 0.00 178.16 176.09 2qbb h ALA 36 N 0.76 0.22 0.17 1.82 0.00 -0.75 0.49 119.26 121.96 2qbb h ALA 36 Ca 0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qbb h ALA 36 Cb 0.17 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2qbb h ALA 36 CO -0.04 -0.54 -0.16 0.00 0.00 0.00 0.00 179.25 178.51 2qbb h ALA 37 N 1.37 -0.32 0.11 0.00 0.00 -1.15 0.38 119.26 119.65 2qbb h ALA 37 Ca 0.29 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2qbb h ALA 37 Cb 0.54 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2qbb h ALA 37 CO -0.72 -0.70 -0.35 0.82 0.00 0.00 0.00 179.25 178.30 2qbb h ILE 38 N -0.35 0.26 -0.56 0.00 1.08 -0.36 0.17 117.51 117.75 2qbb h ILE 38 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 2qbb h ILE 38 Cb 0.33 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 2qbb h ILE 38 CO -0.04 0.00 0.25 -0.08 -0.69 0.00 0.00 178.15 177.60 2qbb h GLU 39 N -0.58 0.80 -0.00 2.37 4.22 0.01 -0.91 114.58 120.49 2qbb h GLU 39 Ca 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.37 2qbb h GLU 39 Cb 0.61 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2qbb h GLU 39 CO -0.21 0.63 -0.01 0.00 -2.18 0.00 0.00 179.01 177.24 2qbb n ALA 40 N -2.45 2.61 -2.06 2.92 0.00 0.13 -4.98 120.51 116.67 2qbb n ALA 40 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 2qbb n ALA 40 Cb 0.14 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 2qbb n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbb n GLY 41 N 1.16 -4.04 2.68 0.00 0.00 0.55 -5.02 105.19 100.52 2qbb n GLY 41 Ca 0.19 0.62 -0.04 0.00 0.00 0.00 0.00 46.02 46.80 2qbb n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qbb n ASP 42 N 0.77 -1.69 -0.13 1.61 -0.08 -1.08 -4.97 116.55 110.99 2qbb n ASP 42 Ca -0.18 -1.31 0.27 0.00 -1.51 0.00 0.00 54.79 52.07 2qbb n ASP 42 Cb 0.27 0.87 0.72 0.00 2.34 0.00 0.00 41.12 45.31 2qbb n ASP 42 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2qbb h LYS 43 N 4.15 0.00 0.00 -0.67 -0.00 -1.92 0.06 116.57 118.18 2qbb h LYS 43 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.62 2qbb h LYS 43 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.39 2qbb h LYS 43 CO -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 179.45 179.35 2qbb n ALA 44 N -2.57 -0.20 -0.16 0.07 0.00 -1.26 -2.64 120.51 113.75 2qbb n ALA 44 Ca 0.17 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.83 2qbb n ALA 44 Cb 0.96 0.00 0.62 0.00 0.00 0.00 0.00 19.45 21.03 2qbb n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbb h ALA 45 N -2.00 2.47 0.24 0.00 0.00 -1.91 -2.42 119.26 115.63 2qbb h ALA 45 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qbb h ALA 45 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2qbb h ALA 45 CO 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 179.25 178.25 2qbb h ALA 46 N 1.62 -0.94 -0.29 0.00 0.00 -1.03 0.49 119.26 119.11 2qbb h ALA 46 Ca 0.40 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.27 2qbb h ALA 46 Cb 1.27 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 2qbb h ALA 46 CO -0.08 -0.97 -0.14 1.96 0.00 0.00 0.00 179.25 180.02 2qbb h GLN 47 N -0.54 -0.10 -0.06 0.00 4.20 -1.20 0.51 115.11 117.92 2qbb h GLN 47 Ca -0.03 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.72 2qbb h GLN 47 Cb 0.48 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 2qbb h GLN 47 CO -0.06 -0.06 -0.21 -0.22 -0.67 0.00 0.00 178.83 177.60 2qbb h LYS 48 N -0.10 -0.29 0.00 1.46 3.64 -1.30 -0.50 116.57 119.48 2qbb h LYS 48 Ca 0.15 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2qbb h LYS 48 Cb 0.33 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2qbb h LYS 48 CO -0.36 -0.19 -0.05 0.00 -2.27 0.00 0.00 179.45 176.58 2qbb h ALA 49 N 0.63 1.47 0.25 5.00 0.00 0.45 -0.94 119.26 126.12 2qbb h ALA 49 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2qbb h ALA 49 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qbb h ALA 49 CO -0.23 0.06 -0.12 0.35 0.00 0.00 0.00 179.25 179.31 2qbb h PHE 50 N 0.00 -0.31 0.00 0.00 3.04 0.62 -3.16 116.94 117.13 2qbb h PHE 50 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2qbb h PHE 50 Cb 0.12 0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.74 2qbb h PHE 50 CO 0.00 0.04 0.00 -2.95 -2.02 0.00 0.00 178.31 173.38 2qbb h ASN 51 N -0.94 0.00 0.66 0.41 7.08 -1.04 -1.17 115.58 120.58 2qbb h ASN 51 Ca -0.03 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.12 2qbb h ASN 51 Cb 0.49 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.72 2qbb h ASN 51 CO 0.06 0.00 -0.33 1.05 -2.08 0.00 0.00 177.43 176.12 2qbb h GLU 52 N 0.00 0.00 0.00 4.14 4.11 -1.14 -3.21 114.58 118.48 2qbb h GLU 52 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2qbb h GLU 52 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2qbb h GLU 52 CO 0.00 0.33 -1.39 0.00 0.07 0.00 0.00 179.01 178.03 2qbb n MET 53 N -3.67 0.89 -0.31 1.06 0.00 -0.61 -4.59 117.12 109.89 2qbb n MET 53 Ca -0.01 -0.09 0.12 0.00 0.00 0.00 0.00 57.70 57.71 2qbb n MET 53 Cb 0.44 -1.26 0.26 0.00 0.00 0.00 0.00 33.22 32.65 2qbb n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2qbb h GLN 54 N 0.00 0.07 -0.20 3.17 4.15 -1.25 0.26 115.11 121.30 2qbb h GLN 54 Ca 0.00 -0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 2qbb h GLN 54 Cb 0.53 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 2qbb h GLN 54 CO 0.00 0.05 -0.33 -1.00 -1.93 0.00 0.00 178.83 175.62 2qbb h PRO 55 N 0.07 0.58 0.08 -2.39 0.13 -1.82 -2.51 132.00 126.14 2qbb h PRO 55 Ca 0.54 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2qbb h PRO 55 Cb 1.08 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2qbb h PRO 55 CO -0.80 0.96 -0.15 0.82 -0.23 0.00 0.00 178.00 178.60 2qbb h ILE 56 N 0.25 0.00 -0.65 -3.56 2.04 -0.87 0.59 117.51 115.31 2qbb h ILE 56 Ca 0.02 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.01 2qbb h ILE 56 Cb 0.92 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.89 2qbb h ILE 56 CO 0.08 0.00 0.07 -0.37 0.00 0.00 0.00 178.15 177.92 2qbb h VAL 57 N -0.25 0.51 -0.68 1.67 -1.51 -0.96 0.71 116.25 115.74 2qbb h VAL 57 Ca -0.01 -0.06 -0.03 0.00 -1.23 0.00 0.00 66.70 65.38 2qbb h VAL 57 Cb 0.23 0.32 -0.03 0.00 -2.13 0.00 0.00 31.29 29.68 2qbb h VAL 57 CO -0.06 0.03 0.33 0.44 -1.23 0.00 0.00 177.57 177.08 2qbb h ASP 58 N 0.18 0.89 0.24 4.19 3.32 -1.19 -2.42 116.42 121.62 2qbb h ASP 58 Ca 0.35 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2qbb h ASP 58 Cb 0.58 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2qbb h ASP 58 CO -0.51 0.77 -0.11 -0.09 -1.72 0.00 0.00 179.24 177.58 2qbb h ARG 59 N 0.95 -0.31 -0.76 3.56 2.43 0.18 -2.53 114.38 117.91 2qbb h ARG 59 Ca 0.23 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.61 2qbb h ARG 59 Cb 0.12 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2qbb h ARG 59 CO -0.03 -0.16 0.52 1.96 -1.51 0.00 0.00 179.97 180.76 2qbb h GLN 60 N -0.39 0.19 -0.24 0.20 1.08 -0.82 -1.14 115.11 114.00 2qbb h GLN 60 Ca -0.03 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2qbb h GLN 60 Cb 0.29 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2qbb h GLN 60 CO 0.05 0.13 0.13 0.00 -0.95 0.00 0.00 178.83 178.19 2qbb h ALA 61 N 1.64 0.30 0.67 3.87 0.00 -0.98 -3.20 119.26 121.56 2qbb h ALA 61 Ca 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2qbb h ALA 61 Cb 1.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2qbb h ALA 61 CO -0.07 -0.26 -0.44 0.00 0.00 0.00 0.00 179.25 178.48 2qbb h ALA 62 N 1.12 -1.22 0.00 0.00 0.00 -1.16 -3.02 119.26 114.98 2qbb h ALA 62 Ca 0.10 -0.22 -0.48 0.00 0.00 0.00 0.00 54.91 54.31 2qbb h ALA 62 Cb 0.01 0.57 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2qbb h ALA 62 CO -0.06 -1.19 2.69 1.63 0.00 0.00 0.00 179.25 182.33 2qbb n LYS 63 N -5.17 2.81 0.00 0.00 4.76 -1.17 -4.92 118.16 114.47 2qbb n LYS 63 Ca -0.13 -1.71 0.00 0.00 -2.87 0.00 0.00 58.31 53.60 2qbb n LYS 63 Cb 0.44 -2.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.11 2qbb n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbb n GLY 64 N 3.45 4.05 6.52 0.72 0.00 -1.20 -4.78 105.19 113.94 2qbb n GLY 64 Ca 0.60 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2qbb n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbb n LEU 65 N 0.00 0.00 0.04 0.99 7.94 -1.26 -0.78 117.00 123.93 2qbb n LEU 65 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 2qbb n LEU 65 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 2qbb n LEU 65 CO 0.00 0.00 0.11 0.40 -1.11 0.00 0.00 177.39 176.79 2qbb h ILE 66 N 0.00 0.00 -2.89 1.96 5.03 -1.85 -3.50 117.51 116.26 2qbb h ILE 66 Ca 0.00 -0.34 0.30 0.00 -0.12 0.00 0.00 64.86 64.70 2qbb h ILE 66 Cb 0.00 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 33.68 2qbb h ILE 66 CO 0.00 0.00 -0.71 1.57 -0.68 0.00 0.00 178.15 178.33 2qbb n HIS 67 N -3.31 -3.00 -4.44 1.37 -0.00 0.04 -4.83 115.22 101.05 2qbb n HIS 67 Ca -0.02 1.57 0.02 0.00 -0.00 0.00 0.00 57.72 59.29 2qbb n HIS 67 Cb 0.05 -2.72 -0.01 0.00 -0.00 0.00 0.00 29.99 27.31 2qbb n HIS 67 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2qbb n LYS 68 N -3.82 -0.36 0.00 1.57 4.76 -1.26 -3.49 118.16 115.57 2qbb n LYS 68 Ca -0.03 0.24 0.02 0.00 -2.87 0.00 0.00 58.31 55.67 2qbb n LYS 68 Cb 0.65 -0.44 0.13 0.00 -1.84 0.00 0.00 35.03 33.53 2qbb n LYS 68 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2qbb n ASN 69 N -2.84 0.00 0.23 4.39 2.04 -1.26 -4.06 115.26 113.76 2qbb n ASN 69 Ca 0.00 -1.38 -0.16 0.00 -0.44 0.00 0.00 54.58 52.60 2qbb n ASN 69 Cb 0.08 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 37.24 2qbb n ASN 69 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 2qbb h LYS 70 N 0.00 -0.81 -0.76 -3.83 3.64 -1.88 -0.22 116.57 112.71 2qbb h LYS 70 Ca 0.00 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2qbb h LYS 70 Cb 0.00 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2qbb h LYS 70 CO 0.00 -0.54 0.45 0.00 -2.27 0.00 0.00 179.45 177.09 2qbb h ALA 71 N -0.96 1.36 0.11 5.00 0.00 -1.77 -2.38 119.26 120.61 2qbb h ALA 71 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2qbb h ALA 71 Cb 0.75 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2qbb h ALA 71 CO -0.09 0.54 -0.28 0.00 0.00 0.00 0.00 179.25 179.43 2qbb h ALA 72 N 1.45 -0.83 -0.57 0.00 0.00 -1.65 -2.18 119.26 115.48 2qbb h ALA 72 Ca 0.27 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.19 2qbb h ALA 72 Cb -0.03 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2qbb h ALA 72 CO -0.05 -0.89 0.38 0.07 0.00 0.00 0.00 179.25 178.76 2qbb h ARG 73 N -0.43 0.42 -1.06 0.00 0.11 -0.99 -0.00 114.38 112.43 2qbb h ARG 73 Ca -0.01 -0.03 0.29 0.00 0.10 0.00 0.00 59.98 60.33 2qbb h ARG 73 Cb 0.42 -0.10 -0.11 0.00 1.11 0.00 0.00 29.97 31.29 2qbb h ARG 73 CO -0.13 0.28 0.66 0.45 0.10 0.00 0.00 179.97 181.33 2qbb h HIS 74 N 0.44 0.76 0.06 4.08 3.86 -0.86 0.10 115.15 123.60 2qbb h HIS 74 Ca 0.25 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2qbb h HIS 74 Cb 0.43 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2qbb h HIS 74 CO -0.00 0.00 -0.03 0.87 0.86 0.00 0.00 177.93 179.63 2qbb h LYS 75 N 0.40 -0.08 0.00 2.45 1.57 -0.80 -3.13 116.57 116.98 2qbb h LYS 75 Ca 0.65 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.44 2qbb h LYS 75 Cb 1.58 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.91 2qbb h LYS 75 CO -0.39 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.01 2qbb n ALA 76 N -2.54 0.00 -0.20 3.86 0.00 0.30 -0.27 120.51 121.66 2qbb n ALA 76 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 2qbb n ALA 76 Cb 0.31 0.46 0.06 0.00 0.00 0.00 0.00 19.45 20.28 2qbb n ALA 76 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2qbb h ASN 77 N 0.00 0.55 -0.38 0.00 7.08 -1.60 -1.70 115.58 119.53 2qbb h ASN 77 Ca 0.00 0.01 0.07 0.00 -3.08 0.00 0.00 56.30 53.30 2qbb h ASN 77 Cb 0.00 -0.10 -0.06 0.00 -2.08 0.00 0.00 38.32 36.07 2qbb h ASN 77 CO 0.00 0.38 -0.01 -0.07 -2.08 0.00 0.00 177.43 175.65 2qbb h LEU 78 N 0.67 -0.18 0.72 6.14 3.38 -1.29 -1.69 115.31 123.06 2qbb h LEU 78 Ca 0.24 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 2qbb h LEU 78 Cb 0.06 0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.98 2qbb h LEU 78 CO -0.12 -0.05 -0.35 0.74 0.09 0.00 0.00 178.44 178.75 2qbb h THR 79 N 0.09 0.27 0.00 0.22 2.02 -0.33 -0.64 112.91 114.53 2qbb h THR 79 Ca 0.19 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.31 2qbb h THR 79 Cb 0.26 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2qbb h THR 79 CO -0.32 0.01 0.52 0.00 0.37 0.00 0.00 175.52 176.10 2qbb h ALA 80 N -0.74 1.51 0.00 6.16 0.00 -1.03 0.44 119.26 125.60 2qbb h ALA 80 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 2qbb h ALA 80 Cb 0.75 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2qbb h ALA 80 CO 0.16 -0.51 -2.11 1.04 0.00 0.00 0.00 179.25 177.83 2qbb n GLN 81 N -2.71 0.67 -0.03 0.00 6.02 -0.66 -3.60 117.38 117.07 2qbb n GLN 81 Ca -0.01 0.10 0.06 0.00 -0.01 0.00 0.00 57.00 57.14 2qbb n GLN 81 Cb 0.55 -1.63 0.30 0.00 1.02 0.00 0.00 30.24 30.49 2qbb n GLN 81 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2qbb n ILE 82 N -2.85 0.07 -0.05 5.09 -6.64 0.15 -3.08 119.36 112.04 2qbb n ILE 82 Ca -0.26 -0.09 -0.07 0.00 -1.77 0.00 0.00 62.75 60.57 2qbb n ILE 82 Cb 1.10 -0.06 -0.02 0.00 -1.44 0.00 0.00 39.64 39.22 2qbb n ILE 82 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2qbb n ASN 83 N -0.43 1.69 -0.34 7.28 3.02 -0.83 -4.57 115.26 121.08 2qbb n ASN 83 Ca 0.09 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 2qbb n ASN 83 Cb 0.10 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 2qbb n ASN 83 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qbb n LYS 84 N -4.17 0.82 0.06 3.52 5.02 -1.24 -3.47 118.16 118.70 2qbb n LYS 84 Ca -0.11 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.96 2qbb n LYS 84 Cb 0.38 -1.28 -0.15 0.00 -0.02 0.00 0.00 35.03 33.96 2qbb n LYS 84 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 2qbb h LEU 85 N 0.12 0.56 0.00 -0.35 -0.00 -1.78 -3.50 115.31 110.35 2qbb h LEU 85 Ca 0.00 -0.92 0.00 0.00 -0.00 0.00 0.00 57.88 56.96 2qbb h LEU 85 Cb 0.28 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2qbb h LEU 85 CO 0.00 1.79 0.00 0.00 -0.00 0.00 0.00 178.44 180.23