#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh n ILE 3 N 0.00 0.01 0.00 -1.44 5.41 -1.26 -4.55 119.36 117.53 2qbh n ILE 3 Ca 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.37 2qbh n ILE 3 Cb 0.00 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.25 2qbh n ILE 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2qbh n LYS 4 N 8.62 0.00 0.28 0.38 0.00 -1.26 -4.99 118.16 121.19 2qbh n LYS 4 Ca 0.49 0.00 0.18 0.00 0.00 0.00 0.00 58.31 58.98 2qbh n LYS 4 Cb 0.28 0.00 0.96 0.00 0.00 0.00 0.00 35.03 36.27 2qbh n LYS 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2qbh h SER 5 N 0.00 0.00 -0.66 3.14 4.64 -2.05 -1.66 113.55 116.96 2qbh h SER 5 Ca 0.00 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.51 2qbh h SER 5 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2qbh h SER 5 CO 0.00 0.00 0.57 0.00 -0.87 0.00 0.00 176.83 176.53 2qbh h ALA 6 N 1.78 2.50 -0.91 5.18 0.00 -1.94 -1.68 119.26 124.20 2qbh h ALA 6 Ca 0.03 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.10 2qbh h ALA 6 Cb 0.32 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.99 2qbh h ALA 6 CO -0.00 -0.92 -0.25 -0.22 0.00 0.00 0.00 179.25 177.87 2qbh h LYS 7 N 0.00 -0.01 -0.60 0.00 3.64 -1.54 0.80 116.57 118.87 2qbh h LYS 7 Ca 0.32 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.61 2qbh h LYS 7 Cb 1.46 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.26 2qbh h LYS 7 CO -0.00 -0.00 0.03 -0.22 -2.27 0.00 0.00 179.45 176.98 2qbh h LYS 8 N -0.01 1.03 -0.37 1.90 3.64 -1.56 -2.99 116.57 118.22 2qbh h LYS 8 Ca 0.42 -0.31 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2qbh h LYS 8 Cb 0.65 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 2qbh h LYS 8 CO -0.93 1.00 0.07 -0.09 -2.27 0.00 0.00 179.45 177.23 2qbh h ARG 9 N 0.93 0.19 -0.71 1.90 9.65 0.36 0.21 114.38 126.91 2qbh h ARG 9 Ca 0.17 -0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.17 2qbh h ARG 9 Cb 0.52 -0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 28.96 2qbh h ARG 9 CO 0.02 0.13 0.26 0.00 2.80 0.00 0.00 179.97 183.18 2qbh h ALA 10 N 1.28 0.97 -0.08 2.80 0.00 -0.47 0.16 119.26 123.92 2qbh h ALA 10 Ca 0.18 0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.97 2qbh h ALA 10 Cb 0.21 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2qbh h ALA 10 CO -0.23 -0.23 -0.88 0.82 0.00 0.00 0.00 179.25 178.72 2qbh h ILE 11 N 0.40 1.30 -1.00 0.00 2.04 -1.33 -1.77 117.51 117.16 2qbh h ILE 11 Ca 0.39 -2.13 0.03 0.00 1.00 0.00 0.00 64.86 64.15 2qbh h ILE 11 Cb 0.58 2.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.77 2qbh h ILE 11 CO -0.40 0.66 0.66 -0.61 0.00 0.00 0.00 178.15 178.46 2qbh h GLN 12 N 0.44 1.25 -0.01 2.37 4.15 0.44 -1.06 115.11 122.69 2qbh h GLN 12 Ca -0.08 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 2qbh h GLN 12 Cb 1.52 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.92 2qbh h GLN 12 CO 0.17 0.83 -0.07 1.03 -1.93 0.00 0.00 178.83 178.86 2qbh h SER 13 N 1.29 0.08 0.06 -0.69 0.87 -0.72 -2.84 113.55 111.60 2qbh h SER 13 Ca 0.39 -0.67 0.03 0.00 -1.23 0.00 0.00 61.79 60.30 2qbh h SER 13 Cb -0.04 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 2qbh h SER 13 CO -0.11 0.74 -0.37 -0.08 -0.53 0.00 0.00 176.83 176.48 2qbh h GLU 14 N -0.57 -0.54 -0.69 2.24 4.22 -1.09 0.88 114.58 119.03 2qbh h GLU 14 Ca -0.00 0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.53 2qbh h GLU 14 Cb 0.74 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.06 2qbh h GLU 14 CO 0.01 -0.36 0.39 0.87 -2.18 0.00 0.00 179.01 177.74 2qbh h LYS 15 N -0.56 0.69 -0.99 1.92 1.79 -1.32 -1.14 116.57 116.96 2qbh h LYS 15 Ca 0.04 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 2qbh h LYS 15 Cb 0.62 -0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 31.05 2qbh h LYS 15 CO -0.25 0.46 0.65 0.00 -1.08 0.00 0.00 179.45 179.22 2qbh h ALA 16 N 1.35 1.36 0.07 3.86 0.00 -1.14 -2.73 119.26 122.02 2qbh h ALA 16 Ca 0.31 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2qbh h ALA 16 Cb 0.19 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2qbh h ALA 16 CO -0.18 0.55 -0.34 -0.09 0.00 0.00 0.00 179.25 179.18 2qbh h ARG 17 N 1.25 -0.52 -0.87 0.00 1.12 0.45 -1.25 114.38 114.57 2qbh h ARG 17 Ca 0.39 0.04 0.23 0.00 -1.11 0.00 0.00 59.98 59.53 2qbh h ARG 17 Cb 0.00 0.12 -0.14 0.00 -0.01 0.00 0.00 29.97 29.94 2qbh h ARG 17 CO -0.12 -0.34 0.18 0.87 -3.11 0.00 0.00 179.97 177.45 2qbh h LYS 18 N -0.54 0.17 -0.15 0.20 1.57 -1.23 0.27 116.57 116.86 2qbh h LYS 18 Ca 0.04 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2qbh h LYS 18 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2qbh h LYS 18 CO -0.23 0.11 0.08 1.25 -0.57 0.00 0.00 179.45 180.09 2qbh h HIS 19 N 0.17 0.21 -0.12 -1.35 2.76 -1.26 -2.50 115.15 113.07 2qbh h HIS 19 Ca 0.53 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.74 2qbh h HIS 19 Cb 1.06 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.90 2qbh h HIS 19 CO -0.31 0.23 -0.16 -0.91 -1.30 0.00 0.00 177.93 175.48 2qbh h ASN 20 N 0.13 -0.51 -0.04 3.26 4.21 0.55 -1.97 115.58 121.22 2qbh h ASN 20 Ca 0.05 0.09 0.01 0.00 1.21 0.00 0.00 56.30 57.67 2qbh h ASN 20 Cb 0.09 0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.50 2qbh h ASN 20 CO -0.01 -0.21 -0.29 0.00 -1.29 0.00 0.00 177.43 175.63 2qbh h ALA 21 N 0.82 -0.70 -0.70 -0.83 0.00 -0.82 0.67 119.26 117.69 2qbh h ALA 21 Ca 0.09 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.09 2qbh h ALA 21 Cb 0.34 0.78 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 2qbh h ALA 21 CO -0.24 -0.80 -0.30 0.66 0.00 0.00 0.00 179.25 178.57 2qbh h SER 22 N -0.33 -1.05 -0.64 0.00 4.64 -1.34 0.84 113.55 115.66 2qbh h SER 22 Ca 0.01 0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.58 2qbh h SER 22 Cb 0.37 0.57 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 2qbh h SER 22 CO -0.21 -0.29 0.42 0.03 -0.87 0.00 0.00 176.83 175.92 2qbh h ARG 23 N -0.09 0.84 0.71 4.77 2.47 -0.85 -2.19 114.38 120.04 2qbh h ARG 23 Ca 0.29 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.92 2qbh h ARG 23 Cb 0.56 -0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.70 2qbh h ARG 23 CO -0.75 0.55 -0.34 -0.09 0.56 0.00 0.00 179.97 179.90 2qbh h ARG 24 N 0.86 -0.92 -0.69 0.04 2.43 0.36 -2.45 114.38 114.01 2qbh h ARG 24 Ca 0.24 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.60 2qbh h ARG 24 Cb -0.09 0.21 -0.13 0.00 -0.42 0.00 0.00 29.97 29.55 2qbh h ARG 24 CO -0.06 -0.59 -0.30 0.77 -1.51 0.00 0.00 179.97 178.28 2qbh h SER 25 N -1.06 -1.08 -0.01 -3.80 0.02 0.64 0.59 113.55 108.85 2qbh h SER 25 Ca -0.10 0.24 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2qbh h SER 25 Cb 0.75 0.57 -0.04 0.00 0.14 0.00 0.00 62.40 63.83 2qbh h SER 25 CO 0.16 -0.29 -0.18 -0.03 -1.14 0.00 0.00 176.83 175.35 2qbh h MET 26 N -0.10 -0.28 -0.68 3.45 1.85 -1.38 -0.97 114.93 116.83 2qbh h MET 26 Ca 0.28 0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.45 2qbh h MET 26 Cb 0.56 0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.60 2qbh h MET 26 CO -0.75 -0.18 0.39 1.98 -0.40 0.00 0.00 176.91 177.95 2qbh h MET 27 N -0.29 0.70 0.44 0.39 -1.53 -0.78 -2.46 114.93 111.41 2qbh h MET 27 Ca 0.06 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.27 2qbh h MET 27 Cb 0.36 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 31.23 2qbh h MET 27 CO -0.17 0.46 -0.43 0.00 0.14 0.00 0.00 176.91 176.91 2qbh h ARG 28 N 0.72 -0.85 -0.77 0.39 2.47 -0.39 -2.91 114.38 113.05 2qbh h ARG 28 Ca 0.30 0.06 0.14 0.00 -1.26 0.00 0.00 59.98 59.23 2qbh h ARG 28 Cb 0.18 0.19 -0.10 0.00 -1.65 0.00 0.00 29.97 28.59 2qbh h ARG 28 CO -0.18 -0.57 0.32 1.79 0.56 0.00 0.00 179.97 181.89 2qbh h THR 29 N -0.88 0.66 -0.56 2.04 1.35 -0.95 -0.33 112.91 114.23 2qbh h THR 29 Ca -0.04 -0.16 0.04 0.00 -0.55 0.00 0.00 66.41 65.70 2qbh h THR 29 Cb 0.78 0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.32 2qbh h THR 29 CO -0.06 0.08 0.37 -0.26 -0.25 0.00 0.00 175.52 175.41 2qbh h PHE 30 N 0.46 0.61 -0.31 4.73 -1.00 -1.31 -2.02 116.94 118.10 2qbh h PHE 30 Ca 0.42 0.01 -0.14 0.00 2.81 0.00 0.00 57.97 61.08 2qbh h PHE 30 Cb 0.64 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 2qbh h PHE 30 CO -0.16 0.35 -0.38 0.82 -1.61 0.00 0.00 178.31 177.33 2qbh h ILE 31 N 0.62 1.29 -0.65 -0.55 2.04 -0.88 -3.20 117.51 116.19 2qbh h ILE 31 Ca 0.23 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.50 2qbh h ILE 31 Cb 0.13 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 2qbh h ILE 31 CO -0.06 0.50 0.25 0.11 0.00 0.00 0.00 178.15 178.95 2qbh h LYS 32 N 0.59 0.96 -0.50 2.37 1.57 -0.91 -2.07 116.57 118.59 2qbh h LYS 32 Ca 0.05 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2qbh h LYS 32 Cb 0.92 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 2qbh h LYS 32 CO 0.08 0.79 0.33 0.87 -0.57 0.00 0.00 179.45 180.96 2qbh h LYS 33 N 0.94 0.43 -0.52 3.15 1.57 -1.51 0.21 116.57 120.84 2qbh h LYS 33 Ca 0.22 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 2qbh h LYS 33 Cb 0.20 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2qbh h LYS 33 CO -0.02 0.28 0.15 0.28 -0.57 0.00 0.00 179.45 179.58 2qbh h VAL 34 N 0.44 1.21 0.25 0.50 2.07 -1.46 -1.92 116.25 117.35 2qbh h VAL 34 Ca 0.21 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2qbh h VAL 34 Cb 0.28 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2qbh h VAL 34 CO -0.06 0.28 -0.12 0.22 0.02 0.00 0.00 177.57 177.91 2qbh h TYR 35 N 0.76 -0.32 -0.51 1.57 3.20 -0.59 -2.63 116.97 118.46 2qbh h TYR 35 Ca 0.17 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.10 2qbh h TYR 35 Cb 0.25 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.53 2qbh h TYR 35 CO 0.01 0.05 -0.54 0.00 -1.64 0.00 0.00 178.16 176.05 2qbh h ALA 36 N -0.39 -0.66 -0.99 1.82 0.00 -0.87 0.78 119.26 118.96 2qbh h ALA 36 Ca -0.03 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.05 2qbh h ALA 36 Cb 0.51 1.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 2qbh h ALA 36 CO 0.06 -1.00 0.62 0.00 0.00 0.00 0.00 179.25 178.93 2qbh h ALA 37 N 0.15 1.63 0.09 0.00 0.00 -1.45 0.94 119.26 120.62 2qbh h ALA 37 Ca 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qbh h ALA 37 Cb 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qbh h ALA 37 CO -0.65 0.09 -0.04 0.82 0.00 0.00 0.00 179.25 179.46 2qbh h ILE 38 N 0.87 1.06 -0.02 0.00 1.08 -0.09 -1.97 117.51 118.44 2qbh h ILE 38 Ca 0.51 -0.57 -0.10 0.00 -0.39 0.00 0.00 64.86 64.31 2qbh h ILE 38 Cb 0.65 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 2qbh h ILE 38 CO -0.29 0.14 -0.47 -0.08 -0.69 0.00 0.00 178.15 176.77 2qbh h GLU 39 N -0.38 0.05 -0.00 2.37 4.22 0.13 -2.46 114.58 118.51 2qbh h GLU 39 Ca -0.01 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2qbh h GLU 39 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2qbh h GLU 39 CO 0.02 0.51 -0.01 0.00 -2.18 0.00 0.00 179.01 177.35 2qbh n ALA 40 N -2.46 2.66 -2.39 2.92 0.00 0.32 -4.97 120.51 116.59 2qbh n ALA 40 Ca -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 53.44 53.17 2qbh n ALA 40 Cb 0.49 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2qbh n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbh n GLY 41 N 1.07 -3.84 2.72 0.00 0.00 -0.79 -5.02 105.19 99.33 2qbh n GLY 41 Ca 0.22 0.30 -0.04 0.00 0.00 0.00 0.00 46.02 46.49 2qbh n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qbh n ASP 42 N 0.49 -2.54 0.33 1.61 -0.08 -0.90 -5.00 116.55 110.45 2qbh n ASP 42 Ca 0.00 -2.20 0.14 0.00 -1.51 0.00 0.00 54.79 51.22 2qbh n ASP 42 Cb 0.01 1.34 0.77 0.00 2.34 0.00 0.00 41.12 45.58 2qbh n ASP 42 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2qbh h LYS 43 N 4.45 0.00 0.14 -0.67 -0.00 -1.92 -0.94 116.57 117.63 2qbh h LYS 43 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.63 2qbh h LYS 43 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.36 2qbh h LYS 43 CO -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 179.45 179.37 2qbh h ALA 44 N 1.29 -0.52 0.00 0.07 0.00 -1.95 -3.18 119.26 114.98 2qbh h ALA 44 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2qbh h ALA 44 Cb 0.70 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2qbh h ALA 44 CO 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 179.25 178.69 2qbh h ALA 45 N -1.75 1.77 -1.87 0.00 0.00 -1.85 -3.00 119.26 112.55 2qbh h ALA 45 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qbh h ALA 45 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2qbh h ALA 45 CO 0.03 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2qbh n ALA 46 N -2.47 -0.13 -0.32 0.00 0.00 -0.39 -0.37 120.51 116.82 2qbh n ALA 46 Ca -0.03 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.64 2qbh n ALA 46 Cb 0.14 0.11 0.44 0.00 0.00 0.00 0.00 19.45 20.14 2qbh n ALA 46 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2qbh h GLN 47 N 0.00 0.16 0.09 0.00 4.20 -1.57 -0.82 115.11 117.16 2qbh h GLN 47 Ca 0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2qbh h GLN 47 Cb 0.00 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 2qbh h GLN 47 CO 0.00 0.10 -0.08 -0.22 -0.67 0.00 0.00 178.83 177.97 2qbh h LYS 48 N 0.16 -0.16 0.00 1.46 3.64 -1.33 -1.98 116.57 118.36 2qbh h LYS 48 Ca 0.71 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.10 2qbh h LYS 48 Cb 1.65 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 2qbh h LYS 48 CO -0.71 -0.11 0.11 0.00 -2.27 0.00 0.00 179.45 176.48 2qbh n ALA 49 N -2.30 0.85 -0.01 5.00 0.00 0.50 -1.90 120.51 122.66 2qbh n ALA 49 Ca -0.02 0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 2qbh n ALA 49 Cb 0.07 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 2qbh n ALA 49 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2qbh h PHE 50 N 0.00 -0.09 0.00 0.00 -0.00 -0.46 -3.21 116.94 113.19 2qbh h PHE 50 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2qbh h PHE 50 Cb 0.23 0.03 0.00 0.00 -0.00 0.00 0.00 35.95 36.21 2qbh h PHE 50 CO 0.00 0.47 0.00 -2.95 -0.00 0.00 0.00 178.31 175.83 2qbh h ASN 51 N -0.90 0.00 0.07 0.41 7.08 -0.86 -1.18 115.58 120.20 2qbh h ASN 51 Ca -0.01 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.12 2qbh h ASN 51 Cb 0.60 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.82 2qbh h ASN 51 CO 0.02 0.00 -0.29 1.05 -2.08 0.00 0.00 177.43 176.12 2qbh h GLU 52 N 0.00 0.34 0.00 4.14 4.11 -1.45 -3.21 114.58 118.51 2qbh h GLU 52 Ca 0.00 -0.13 -0.03 0.00 0.07 0.00 0.00 59.36 59.26 2qbh h GLU 52 Cb 0.40 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2qbh h GLU 52 CO 0.00 0.61 -1.94 0.00 0.07 0.00 0.00 179.01 177.75 2qbh n MET 53 N -4.11 0.64 -0.30 1.06 0.00 -0.92 -4.50 117.12 108.98 2qbh n MET 53 Ca -0.01 -0.16 0.08 0.00 0.00 0.00 0.00 57.70 57.61 2qbh n MET 53 Cb 0.41 -1.47 0.20 0.00 0.00 0.00 0.00 33.22 32.36 2qbh n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2qbh h GLN 54 N 0.00 0.05 -0.24 3.17 4.15 -1.23 0.55 115.11 121.56 2qbh h GLN 54 Ca -0.05 -0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.23 2qbh h GLN 54 Cb 1.03 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 2qbh h GLN 54 CO 0.00 0.03 -0.42 -1.00 -1.93 0.00 0.00 178.83 175.52 2qbh h PRO 55 N 0.05 0.57 0.92 -2.39 0.13 -1.80 -2.37 132.00 127.13 2qbh h PRO 55 Ca 0.48 -0.30 -0.05 0.00 -0.87 0.00 0.00 66.00 65.27 2qbh h PRO 55 Cb 0.89 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.03 2qbh h PRO 55 CO -0.81 0.89 -0.44 0.82 -0.23 0.00 0.00 178.00 178.22 2qbh h ILE 56 N 0.47 0.00 0.06 -3.56 2.04 -0.31 0.03 117.51 116.25 2qbh h ILE 56 Ca 0.04 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2qbh h ILE 56 Cb 0.93 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 2qbh h ILE 56 CO 0.08 0.00 -0.31 -0.37 0.00 0.00 0.00 178.15 177.56 2qbh h VAL 57 N -1.33 0.33 -0.76 1.67 -1.51 -0.65 0.67 116.25 114.68 2qbh h VAL 57 Ca -0.13 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.44 2qbh h VAL 57 Cb 0.95 0.33 -0.07 0.00 -2.13 0.00 0.00 31.29 30.37 2qbh h VAL 57 CO 0.21 0.00 0.40 0.44 -1.23 0.00 0.00 177.57 177.39 2qbh h ASP 58 N -0.49 0.54 0.92 4.19 3.32 -1.47 -1.91 116.42 121.52 2qbh h ASP 58 Ca 0.05 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 2qbh h ASP 58 Cb 0.55 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.07 2qbh h ASP 58 CO -0.22 0.30 -0.47 -0.09 -1.72 0.00 0.00 179.24 177.04 2qbh h ARG 59 N 0.66 -1.22 -1.15 3.56 2.43 -0.29 -2.72 114.38 115.65 2qbh h ARG 59 Ca 0.37 0.08 0.33 0.00 -0.81 0.00 0.00 59.98 59.96 2qbh h ARG 59 Cb 0.39 0.28 -0.10 0.00 -0.42 0.00 0.00 29.97 30.11 2qbh h ARG 59 CO -0.27 -0.81 0.75 1.96 -1.51 0.00 0.00 179.97 180.09 2qbh h GLN 60 N -1.26 0.25 -0.49 0.20 1.08 -0.60 0.75 115.11 115.03 2qbh h GLN 60 Ca -0.13 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 2qbh h GLN 60 Cb 0.98 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.33 2qbh h GLN 60 CO 0.19 0.16 0.23 0.00 -0.95 0.00 0.00 178.83 178.46 2qbh h ALA 61 N 1.60 1.48 -0.03 3.87 0.00 -1.04 -2.92 119.26 122.23 2qbh h ALA 61 Ca 0.68 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 2qbh h ALA 61 Cb 1.95 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 2qbh h ALA 61 CO -0.33 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.34 2qbh h ALA 62 N 1.57 0.04 -0.94 0.00 0.00 0.65 -3.28 119.26 117.29 2qbh h ALA 62 Ca 0.17 -0.14 -0.77 0.00 0.00 0.00 0.00 54.91 54.17 2qbh h ALA 62 Cb 0.08 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.69 2qbh h ALA 62 CO -0.02 -0.32 1.88 1.63 0.00 0.00 0.00 179.25 182.42 2qbh n LYS 63 N -4.93 4.67 0.00 0.00 4.76 -1.10 -5.00 118.16 116.56 2qbh n LYS 63 Ca -0.07 -3.87 0.00 0.00 -2.87 0.00 0.00 58.31 51.50 2qbh n LYS 63 Cb 0.16 -2.62 0.00 0.00 -1.84 0.00 0.00 35.03 30.73 2qbh n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbh n GLY 64 N 1.39 4.02 7.00 0.72 0.00 -1.24 -4.81 105.19 112.27 2qbh n GLY 64 Ca 0.52 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2qbh n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbh n LEU 65 N 0.00 0.00 0.15 0.99 7.94 -1.26 -0.70 117.00 124.12 2qbh n LEU 65 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 2qbh n LEU 65 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2qbh n LEU 65 CO 0.00 0.00 0.46 0.40 -1.11 0.00 0.00 177.39 177.14 2qbh h ILE 66 N 0.00 0.00 -3.34 1.96 5.03 -1.88 -3.49 117.51 115.79 2qbh h ILE 66 Ca 0.00 -0.03 0.35 0.00 -0.12 0.00 0.00 64.86 65.06 2qbh h ILE 66 Cb 0.00 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 33.63 2qbh h ILE 66 CO 0.00 0.00 -1.04 1.57 -0.68 0.00 0.00 178.15 178.00 2qbh n HIS 67 N -3.11 -3.71 -1.85 1.37 -0.00 0.13 -4.87 115.22 103.18 2qbh n HIS 67 Ca -0.05 1.99 0.17 0.00 -0.00 0.00 0.00 57.72 59.84 2qbh n HIS 67 Cb 0.15 -3.38 -0.04 0.00 -0.00 0.00 0.00 29.99 26.72 2qbh n HIS 67 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2qbh n LYS 68 N -4.28 -2.57 0.00 1.57 4.76 -1.26 -3.50 118.16 112.88 2qbh n LYS 68 Ca -0.06 1.69 0.02 0.00 -2.87 0.00 0.00 58.31 57.09 2qbh n LYS 68 Cb 0.66 -3.14 0.11 0.00 -1.84 0.00 0.00 35.03 30.83 2qbh n LYS 68 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2qbh n ASN 69 N -4.09 0.00 -0.16 4.39 6.94 -1.26 -3.77 115.26 117.31 2qbh n ASN 69 Ca 0.01 -0.12 -0.10 0.00 -0.02 0.00 0.00 54.58 54.35 2qbh n ASN 69 Cb 0.58 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.92 2qbh n ASN 69 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2qbh h LYS 70 N 0.00 -0.23 -0.72 -3.83 3.64 -1.89 0.46 116.57 114.00 2qbh h LYS 70 Ca 0.00 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2qbh h LYS 70 Cb 0.00 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 2qbh h LYS 70 CO 0.00 -0.15 0.41 0.00 -2.27 0.00 0.00 179.45 177.43 2qbh h ALA 71 N -0.19 0.98 0.23 5.00 0.00 -1.78 -1.70 119.26 121.79 2qbh h ALA 71 Ca 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qbh h ALA 71 Cb 0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2qbh h ALA 71 CO -0.54 0.08 -0.33 0.00 0.00 0.00 0.00 179.25 178.47 2qbh h ALA 72 N 1.38 -0.94 -0.72 0.00 0.00 -1.08 -2.22 119.26 115.68 2qbh h ALA 72 Ca 0.33 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.27 2qbh h ALA 72 Cb 0.22 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2qbh h ALA 72 CO -0.20 -0.99 0.48 0.07 0.00 0.00 0.00 179.25 178.62 2qbh h ARG 73 N -0.58 0.43 -0.34 0.00 0.11 -0.08 -0.66 114.38 113.25 2qbh h ARG 73 Ca -0.03 -0.03 0.07 0.00 0.10 0.00 0.00 59.98 60.10 2qbh h ARG 73 Cb 0.53 -0.10 -0.08 0.00 1.11 0.00 0.00 29.97 31.44 2qbh h ARG 73 CO -0.10 0.28 -0.19 0.45 0.10 0.00 0.00 179.97 180.51 2qbh h HIS 74 N 0.44 -0.49 0.32 4.08 3.86 -0.72 -1.75 115.15 120.88 2qbh h HIS 74 Ca 0.35 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.59 2qbh h HIS 74 Cb 0.74 0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 2qbh h HIS 74 CO -0.00 -0.27 -0.21 0.87 0.86 0.00 0.00 177.93 179.17 2qbh h LYS 75 N -0.15 -0.50 0.00 2.45 1.57 -0.70 -3.01 116.57 116.23 2qbh h LYS 75 Ca 0.17 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2qbh h LYS 75 Cb 0.41 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2qbh h LYS 75 CO -0.43 -0.33 0.00 0.00 -0.57 0.00 0.00 179.45 178.12 2qbh n ALA 76 N -2.41 0.00 -0.31 3.86 0.00 -0.68 -0.76 120.51 120.21 2qbh n ALA 76 Ca -0.10 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.52 2qbh n ALA 76 Cb 0.25 0.19 0.43 0.00 0.00 0.00 0.00 19.45 20.32 2qbh n ALA 76 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2qbh h ASN 77 N 0.00 0.57 -0.39 0.00 7.08 -1.60 -0.94 115.58 120.30 2qbh h ASN 77 Ca 0.00 0.08 0.06 0.00 -3.08 0.00 0.00 56.30 53.36 2qbh h ASN 77 Cb 0.00 -0.02 -0.05 0.00 -2.08 0.00 0.00 38.32 36.17 2qbh h ASN 77 CO 0.00 0.18 0.08 -0.07 -2.08 0.00 0.00 177.43 175.54 2qbh h LEU 78 N 0.54 0.01 0.84 6.14 3.38 -0.80 -1.40 115.31 124.03 2qbh h LEU 78 Ca 0.56 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.55 2qbh h LEU 78 Cb 1.18 0.09 0.01 0.00 0.09 0.00 0.00 40.66 42.02 2qbh h LEU 78 CO -0.30 0.04 -0.40 0.74 0.09 0.00 0.00 178.44 178.60 2qbh h THR 79 N 0.20 0.10 -1.03 0.22 2.02 0.21 0.30 112.91 114.94 2qbh h THR 79 Ca 0.19 -0.10 0.30 0.00 0.77 0.00 0.00 66.41 67.56 2qbh h THR 79 Cb 0.22 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.70 2qbh h THR 79 CO -0.24 0.01 0.88 0.00 0.37 0.00 0.00 175.52 176.53 2qbh h ALA 80 N -1.12 2.90 0.11 6.16 0.00 -1.28 0.65 119.26 126.68 2qbh h ALA 80 Ca -0.12 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.40 2qbh h ALA 80 Cb 0.87 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2qbh h ALA 80 CO 0.19 -1.41 -1.95 1.04 0.00 0.00 0.00 179.25 177.12 2qbh n GLN 81 N -3.83 0.74 0.00 0.00 6.02 -0.54 -3.52 117.38 116.25 2qbh n GLN 81 Ca 0.22 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 2qbh n GLN 81 Cb 1.22 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 30.77 2qbh n GLN 81 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2qbh n ILE 82 N -3.58 0.00 0.00 5.09 -6.64 0.10 -2.56 119.36 111.78 2qbh n ILE 82 Ca -0.33 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.65 2qbh n ILE 82 Cb 1.01 -0.26 0.00 0.00 -1.44 0.00 0.00 39.64 38.95 2qbh n ILE 82 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2qbh n ASN 83 N -0.36 0.00 0.00 7.28 3.02 -0.80 -4.63 115.26 119.76 2qbh n ASN 83 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2qbh n ASN 83 Cb 0.02 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.00 2qbh n ASN 83 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qbh n LYS 84 N -2.16 0.22 0.07 3.52 5.02 -1.22 -2.70 118.16 120.91 2qbh n LYS 84 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 2qbh n LYS 84 Cb 0.00 -1.04 -0.14 0.00 -0.02 0.00 0.00 35.03 33.83 2qbh n LYS 84 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 2qbh h LEU 85 N 0.00 0.57 0.00 -0.35 -0.00 -1.75 -3.51 115.31 110.27 2qbh h LEU 85 Ca 0.00 -0.92 0.00 0.00 -0.00 0.00 0.00 57.88 56.96 2qbh h LEU 85 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.48 2qbh h LEU 85 CO 0.00 1.45 0.00 0.00 -0.00 0.00 0.00 178.44 179.89