#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh n SER 3 N 0.00 -1.89 -0.29 2.89 7.64 -1.26 -4.86 113.62 115.85 2qbh n SER 3 Ca 0.00 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.78 2qbh n SER 3 Cb 0.00 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2qbh n SER 3 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2qbh n LEU 4 N 1.93 0.00 0.00 -3.43 0.00 -1.26 -5.12 117.00 109.12 2qbh n LEU 4 Ca 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 56.01 55.49 2qbh n LEU 4 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.79 2qbh n LEU 4 CO 0.55 0.78 0.00 0.29 0.00 0.00 0.00 177.39 179.01 2qbh n LYS 5 N 0.00 0.00 -3.74 1.96 4.01 -1.26 -3.86 118.16 115.27 2qbh n LYS 5 Ca 0.00 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.44 2qbh n LYS 5 Cb 0.35 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 34.77 2qbh n LYS 5 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2qbh s LYS 6 N 0.00 2.23 0.00 1.97 -0.14 -1.26 -4.89 119.74 117.66 2qbh s LYS 6 Ca 0.00 -2.09 0.00 0.00 -1.36 0.00 0.00 55.97 52.52 2qbh s LYS 6 Cb 0.00 -3.66 0.00 0.00 -1.68 0.00 0.00 37.83 32.49 2qbh s LYS 6 CO 0.00 -1.12 0.00 0.41 -0.76 0.00 0.00 175.35 173.88 2qbh n GLY 7 N 4.19 -1.07 3.68 -3.33 0.00 -1.25 -5.12 105.19 102.29 2qbh n GLY 7 Ca 0.01 0.45 -0.45 0.00 0.00 0.00 0.00 46.02 46.04 2qbh n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qbh n PRO 8 N 0.00 2.51 -4.29 1.61 -0.02 -1.26 -4.98 135.00 128.57 2qbh n PRO 8 Ca 0.00 0.91 -0.30 0.00 -2.02 0.00 0.00 63.50 62.10 2qbh n PRO 8 Cb 0.00 -2.77 -0.11 0.00 -0.02 0.00 0.00 33.50 30.60 2qbh n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qbh s PHE 9 N 2.67 2.62 -0.19 6.00 2.19 -1.26 -5.05 117.98 124.97 2qbh s PHE 9 Ca 0.84 -0.22 -0.14 0.00 0.33 0.00 0.00 56.93 57.74 2qbh s PHE 9 Cb -0.57 -1.39 0.06 0.00 -1.31 0.00 0.00 43.02 39.80 2qbh s PHE 9 CO 0.41 0.40 0.49 0.96 1.83 0.00 0.00 175.22 179.31 2qbh s ILE 10 N -1.16 -0.01 0.62 3.12 -4.36 -1.26 -2.47 121.20 115.67 2qbh s ILE 10 Ca 0.19 0.03 -0.18 0.00 -0.26 0.00 0.00 60.65 60.44 2qbh s ILE 10 Cb -0.11 -0.70 -0.06 0.00 1.25 0.00 0.00 42.46 42.84 2qbh s ILE 10 CO 0.11 0.01 0.68 0.47 0.24 0.00 0.00 174.94 176.45 2qbh n ASP 11 N 3.54 -0.47 -0.30 4.36 9.92 -1.26 -4.82 116.55 127.52 2qbh n ASP 11 Ca -0.18 0.72 0.02 0.00 -0.53 0.00 0.00 54.79 54.82 2qbh n ASP 11 Cb 0.56 -1.26 0.16 0.00 -0.64 0.00 0.00 41.12 39.95 2qbh n ASP 11 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2qbh h LEU 12 N 0.14 0.73 -0.01 0.64 3.38 -2.01 -3.02 115.31 115.16 2qbh h LEU 12 Ca -0.47 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2qbh h LEU 12 Cb 1.38 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2qbh h LEU 12 CO 0.47 0.43 -0.01 0.45 0.09 0.00 0.00 178.44 179.88 2qbh h HIS 13 N 0.85 -0.02 -0.34 1.13 -0.00 -2.00 -0.79 115.15 113.97 2qbh h HIS 13 Ca 0.39 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.82 2qbh h HIS 13 Cb 0.30 0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.71 2qbh h HIS 13 CO -0.05 -0.00 0.23 1.37 -0.00 0.00 0.00 177.93 179.48 2qbh h LEU 14 N -0.00 0.20 0.63 2.43 -0.00 -1.92 -1.37 115.31 115.27 2qbh h LEU 14 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 2qbh h LEU 14 Cb 0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2qbh h LEU 14 CO -0.01 0.13 -0.39 0.25 -0.00 0.00 0.00 178.44 178.42 2qbh h LEU 15 N 0.23 -0.97 -1.25 0.17 6.46 -1.05 0.64 115.31 119.53 2qbh h LEU 15 Ca 0.15 0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.90 2qbh h LEU 15 Cb 0.31 0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 2qbh h LEU 15 CO -0.03 -0.60 -0.33 0.11 -0.62 0.00 0.00 178.44 176.97 2qbh h LYS 16 N -0.96 0.00 -0.03 1.25 1.79 -1.10 -2.30 116.57 115.22 2qbh h LYS 16 Ca -0.08 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.25 2qbh h LYS 16 Cb 0.78 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.44 2qbh h LYS 16 CO 0.08 0.33 -0.55 0.87 -1.08 0.00 0.00 179.45 179.10 2qbh h LYS 17 N 0.00 0.43 -0.11 3.15 1.79 -0.90 -2.90 116.57 118.03 2qbh h LYS 17 Ca -0.00 -0.42 -0.19 0.00 -2.18 0.00 0.00 60.65 57.86 2qbh h LYS 17 Cb 0.70 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2qbh h LYS 17 CO 0.04 1.07 -0.73 -0.24 -1.08 0.00 0.00 179.45 178.52 2qbh h VAL 18 N -0.06 1.35 -0.36 0.50 3.04 0.30 -2.16 116.25 118.85 2qbh h VAL 18 Ca -0.06 -2.07 -0.04 0.00 -1.01 0.00 0.00 66.70 63.51 2qbh h VAL 18 Cb 1.24 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 32.56 2qbh h VAL 18 CO 0.11 0.63 0.05 -0.08 -1.01 0.00 0.00 177.57 177.28 2qbh h GLU 19 N 0.35 0.60 -0.30 4.17 4.57 -1.52 -2.56 114.58 119.89 2qbh h GLU 19 Ca -0.03 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 57.90 2qbh h GLU 19 Cb 1.31 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 2qbh h GLU 19 CO 0.13 0.67 -0.15 -0.22 -1.18 0.00 0.00 179.01 178.26 2qbh h LYS 20 N 0.44 0.52 -0.15 1.92 3.11 -1.54 -1.92 116.57 118.95 2qbh h LYS 20 Ca 0.11 -0.16 0.03 0.00 -2.81 0.00 0.00 60.65 57.82 2qbh h LYS 20 Cb 0.37 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 2qbh h LYS 20 CO 0.01 0.66 0.11 0.00 -2.81 0.00 0.00 179.45 177.41 2qbh h ALA 21 N 1.37 2.08 -0.01 5.00 0.00 -1.00 -0.46 119.26 126.24 2qbh h ALA 21 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qbh h ALA 21 Cb 0.54 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qbh h ALA 21 CO 0.03 -0.12 0.00 0.28 0.00 0.00 0.00 179.25 179.45 2qbh h VAL 22 N 0.05 1.03 0.09 0.00 2.07 -0.96 0.99 116.25 119.51 2qbh h VAL 22 Ca 0.07 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2qbh h VAL 22 Cb 0.22 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2qbh h VAL 22 CO -0.01 0.02 -0.04 1.05 0.02 0.00 0.00 177.57 178.62 2qbh h GLU 23 N -0.03 -0.11 0.00 1.57 -0.00 -1.45 -3.18 114.58 111.38 2qbh h GLU 23 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 2qbh h GLU 23 Cb 0.04 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 28.81 2qbh h GLU 23 CO -0.00 0.42 0.04 0.66 -0.00 0.00 0.00 179.01 180.13 2qbh h SER 24 N -0.85 0.00 -3.36 3.06 4.64 -1.17 -3.48 113.55 112.39 2qbh h SER 24 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2qbh h SER 24 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2qbh h SER 24 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2qbh n GLY 25 N -1.11 -1.83 3.84 -0.77 0.00 0.34 -4.93 105.19 100.72 2qbh n GLY 25 Ca -0.03 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 2qbh n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qbh s ASP 26 N -4.00 6.85 0.00 1.61 1.11 -1.26 -4.57 116.67 116.41 2qbh s ASP 26 Ca 0.00 1.46 0.00 0.00 0.18 0.00 0.00 52.55 54.19 2qbh s ASP 26 Cb 0.00 -2.45 0.00 0.00 1.07 0.00 0.00 42.92 41.54 2qbh s ASP 26 CO 0.00 -0.27 0.00 2.29 1.18 0.00 0.00 175.17 178.37 2qbh n LYS 27 N -0.48 0.00 -1.39 8.23 2.85 -1.26 -5.15 118.16 120.97 2qbh n LYS 27 Ca 0.05 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.97 2qbh n LYS 27 Cb 0.53 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 35.01 2qbh n LYS 27 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2qbh s LYS 28 N 4.86 2.08 0.50 -1.58 0.00 -1.26 -4.69 119.74 119.65 2qbh s LYS 28 Ca 0.00 1.73 -0.08 0.00 0.00 0.00 0.00 55.97 57.62 2qbh s LYS 28 Cb 0.00 -1.83 0.13 0.00 0.00 0.00 0.00 37.83 36.13 2qbh s LYS 28 CO 0.00 -1.88 0.35 -0.35 0.00 0.00 0.00 175.35 173.47 2qbh n PRO 29 N -2.83 -2.58 -3.95 1.78 -0.04 -1.26 -4.76 135.00 121.36 2qbh n PRO 29 Ca 0.13 -0.57 -0.34 0.00 -0.04 0.00 0.00 63.50 62.69 2qbh n PRO 29 Cb 0.50 -0.65 -0.14 0.00 -0.04 0.00 0.00 33.50 33.17 2qbh n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qbh s LEU 30 N 0.00 4.17 -0.55 1.53 1.43 -0.86 -4.71 118.68 119.68 2qbh s LEU 30 Ca 0.25 -1.60 -0.27 0.00 -1.03 0.00 0.00 54.13 51.48 2qbh s LEU 30 Cb -0.04 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2qbh s LEU 30 CO 0.20 -0.31 1.77 -0.60 0.23 0.00 0.00 176.35 177.64 2qbh s ARG 31 N 1.13 2.87 0.01 1.70 6.06 -1.26 -0.34 118.95 129.12 2qbh s ARG 31 Ca -0.01 0.72 -0.15 0.00 -2.50 0.00 0.00 55.73 53.80 2qbh s ARG 31 Cb -0.20 -4.31 0.02 0.00 0.06 0.00 0.00 34.95 30.52 2qbh s ARG 31 CO -0.04 -2.44 0.32 0.95 -2.50 0.00 0.00 175.30 171.58 2qbh s THR 32 N 8.17 0.07 -1.24 4.11 -4.23 -1.07 -4.98 115.64 116.46 2qbh s THR 32 Ca 0.67 -0.54 0.12 0.00 -1.18 0.00 0.00 61.69 60.75 2qbh s THR 32 Cb -0.14 -0.75 0.20 0.00 1.34 0.00 0.00 72.50 73.16 2qbh s THR 32 CO 0.24 -0.30 1.07 0.79 -0.54 0.00 0.00 174.62 175.87 2qbh n TRP 33 N 0.99 0.24 0.03 3.99 8.01 -1.26 -2.57 117.44 126.87 2qbh n TRP 33 Ca -0.20 -0.24 0.00 0.00 -1.31 0.00 0.00 57.50 55.75 2qbh n TRP 33 Cb 0.57 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.86 2qbh n TRP 33 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2qbh n SER 34 N 0.62 3.00 0.04 -0.99 3.41 -1.26 -4.33 113.62 114.12 2qbh n SER 34 Ca 0.10 -1.72 0.22 0.00 -0.26 0.00 0.00 58.87 57.20 2qbh n SER 34 Cb 0.36 -0.60 0.72 0.00 -0.26 0.00 0.00 64.21 64.44 2qbh n SER 34 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2qbh h ARG 35 N 1.51 0.00 0.00 4.33 0.11 -1.90 0.59 114.38 119.01 2qbh h ARG 35 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2qbh h ARG 35 Cb 0.67 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.75 2qbh h ARG 35 CO 0.00 0.00 0.00 2.89 0.10 0.00 0.00 179.97 182.96 2qbh n ARG 36 N -3.77 0.67 -2.76 0.08 1.85 -1.26 0.10 116.66 111.57 2qbh n ARG 36 Ca 0.10 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.68 2qbh n ARG 36 Cb 0.72 -1.42 0.00 0.00 -1.05 0.00 0.00 32.46 30.71 2qbh n ARG 36 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2qbh s SER 37 N -1.89 6.13 0.33 2.89 0.01 0.20 -4.88 113.70 116.49 2qbh s SER 37 Ca 0.27 0.76 -0.06 0.00 1.31 0.00 0.00 55.95 58.23 2qbh s SER 37 Cb 0.12 -2.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 2qbh s SER 37 CO 0.21 -0.61 0.61 -0.89 0.41 0.00 0.00 173.24 172.97 2qbh s THR 38 N -2.69 4.97 0.23 1.44 2.01 -1.03 -0.07 115.64 120.51 2qbh s THR 38 Ca 0.47 0.15 -0.16 0.00 0.31 0.00 0.00 61.69 62.46 2qbh s THR 38 Cb -0.10 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 2qbh s THR 38 CO 0.43 -0.41 0.67 -0.63 -0.69 0.00 0.00 174.62 174.00 2qbh s ILE 39 N -2.19 4.69 0.29 1.82 1.01 0.27 -4.71 121.20 122.37 2qbh s ILE 39 Ca 0.45 1.03 0.07 0.00 0.00 0.00 0.00 60.65 62.20 2qbh s ILE 39 Cb -0.11 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.56 2qbh s ILE 39 CO 0.31 0.10 -0.06 -0.36 0.00 0.00 0.00 174.94 174.93 2qbh s PHE 40 N -1.65 1.99 0.16 3.97 0.40 -1.26 -4.26 117.98 117.32 2qbh s PHE 40 Ca 0.45 -0.69 -0.12 0.00 -0.60 0.00 0.00 56.93 55.97 2qbh s PHE 40 Cb -0.14 -1.14 0.04 0.00 0.51 0.00 0.00 43.02 42.29 2qbh s PHE 40 CO 0.20 0.30 1.65 -1.00 0.70 0.00 0.00 175.22 177.07 2qbh h PRO 41 N 2.26 0.86 0.00 0.24 0.13 -1.93 -2.25 132.00 131.30 2qbh h PRO 41 Ca -0.40 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2qbh h PRO 41 Cb 1.24 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2qbh h PRO 41 CO 0.67 0.83 0.00 0.27 -0.23 0.00 0.00 178.00 179.54 2qbh n ASN 42 N -4.40 0.00 0.04 1.44 2.04 -1.26 0.50 115.26 113.61 2qbh n ASN 42 Ca 0.02 0.39 0.11 0.00 -0.44 0.00 0.00 54.58 54.65 2qbh n ASN 42 Cb 0.25 -0.39 -0.05 0.00 -2.53 0.00 0.00 39.78 37.06 2qbh n ASN 42 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 2qbh n MET 43 N -1.39 0.48 -1.57 -3.83 0.00 -0.85 -4.81 117.12 105.15 2qbh n MET 43 Ca 0.00 -0.03 -0.46 0.00 0.00 0.00 0.00 57.70 57.21 2qbh n MET 43 Cb 0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 33.22 31.57 2qbh n MET 43 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 2qbh n ILE 44 N -2.23 1.57 -1.04 2.02 3.06 0.18 -0.52 119.36 122.40 2qbh n ILE 44 Ca -0.00 -0.39 -0.01 0.00 -2.50 0.00 0.00 62.75 59.84 2qbh n ILE 44 Cb 0.50 -0.87 -0.01 0.00 0.54 0.00 0.00 39.64 39.81 2qbh n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2qbh n GLY 45 N 1.59 0.25 3.94 4.50 0.00 0.41 -4.87 105.19 111.00 2qbh n GLY 45 Ca 0.12 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 2qbh n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbh s LEU 46 N -0.28 4.10 -0.17 0.99 2.01 0.32 -4.85 118.68 120.80 2qbh s LEU 46 Ca 0.00 0.43 -0.08 0.00 0.01 0.00 0.00 54.13 54.49 2qbh s LEU 46 Cb 0.00 -3.26 -0.04 0.00 0.01 0.00 0.00 46.19 42.90 2qbh s LEU 46 CO 0.00 -0.20 0.11 0.42 1.01 0.00 0.00 176.35 177.69 2qbh s THR 47 N -2.15 5.24 -0.00 5.49 -4.23 -1.26 -2.99 115.64 115.74 2qbh s THR 47 Ca 0.39 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2qbh s THR 47 Cb -0.10 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.39 2qbh s THR 47 CO 0.33 0.49 0.00 -0.63 -0.54 0.00 0.00 174.62 174.27 2qbh s ILE 48 N -0.02 0.02 -1.09 2.99 1.01 -0.94 -2.03 121.20 121.13 2qbh s ILE 48 Ca 0.09 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.68 2qbh s ILE 48 Cb -0.12 -0.04 0.28 0.00 0.01 0.00 0.00 42.46 42.59 2qbh s ILE 48 CO 0.00 0.02 1.12 0.00 0.00 0.00 0.00 174.94 176.09 2qbh n ALA 49 N 3.24 4.30 -2.53 9.38 0.00 0.54 -1.82 120.51 133.61 2qbh n ALA 49 Ca -0.14 -4.68 -0.43 0.00 0.00 0.00 0.00 53.44 48.19 2qbh n ALA 49 Cb 0.58 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 2qbh n ALA 49 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qbh s VAL 50 N -1.47 4.23 0.46 0.00 1.01 0.53 -2.60 120.40 122.57 2qbh s VAL 50 Ca 0.31 1.35 -0.24 0.00 0.00 0.00 0.00 61.98 63.40 2qbh s VAL 50 Cb -0.08 -4.37 -0.07 0.00 0.00 0.00 0.00 36.38 31.85 2qbh s VAL 50 CO -0.07 -0.68 1.27 -2.28 0.00 0.00 0.00 175.10 173.35 2qbh s HIS 51 N 4.33 2.70 -0.01 5.22 5.65 -1.06 0.14 115.29 132.25 2qbh s HIS 51 Ca 0.51 1.45 -0.05 0.00 0.25 0.00 0.00 55.06 57.22 2qbh s HIS 51 Cb -0.12 -3.60 -0.02 0.00 -1.18 0.00 0.00 32.58 27.66 2qbh s HIS 51 CO 0.25 -2.09 -0.10 0.27 -0.65 0.00 0.00 174.74 172.41 2qbh n ASN 52 N -0.41 1.08 0.00 9.88 6.94 0.05 -4.83 115.26 127.98 2qbh n ASN 52 Ca 0.07 0.16 0.00 0.00 -0.02 0.00 0.00 54.58 54.79 2qbh n ASN 52 Cb 0.46 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 2qbh n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qbh n GLY 53 N 2.77 -0.51 0.09 4.83 0.00 -1.26 -4.84 105.19 106.27 2qbh n GLY 53 Ca -0.08 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2qbh n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbh n ARG 54 N -2.35 0.51 -1.76 1.61 1.74 -1.26 -5.06 116.66 110.09 2qbh n ARG 54 Ca 0.00 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2qbh n ARG 54 Cb 0.00 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 2qbh n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2qbh n GLN 55 N -4.49 0.34 -3.55 5.56 1.13 -1.26 -5.15 117.38 109.96 2qbh n GLN 55 Ca -0.21 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.59 2qbh n GLN 55 Cb 0.50 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.83 2qbh n GLN 55 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2qbh s HIS 56 N -1.71 3.49 -0.01 1.08 3.76 -1.26 -0.77 115.29 119.87 2qbh s HIS 56 Ca 0.00 0.34 0.06 0.00 -0.15 0.00 0.00 55.06 55.32 2qbh s HIS 56 Cb 0.00 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 2qbh s HIS 56 CO 0.00 0.26 -0.20 0.14 -0.85 0.00 0.00 174.74 174.08 2qbh s VAL 57 N -2.09 1.61 0.59 -0.90 -7.23 0.36 -4.81 120.40 107.94 2qbh s VAL 57 Ca 0.39 -0.90 -0.17 0.00 -1.81 0.00 0.00 61.98 59.49 2qbh s VAL 57 Cb -0.10 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 2qbh s VAL 57 CO 0.32 0.43 1.12 -2.16 -0.31 0.00 0.00 175.10 174.50 2qbh s PRO 58 N -0.54 3.12 -0.20 4.82 0.04 -1.25 -0.35 135.00 140.65 2qbh s PRO 58 Ca 0.08 1.49 -0.23 0.00 0.04 0.00 0.00 61.00 62.39 2qbh s PRO 58 Cb -0.08 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.54 2qbh s PRO 58 CO -0.01 -1.01 0.61 0.14 0.04 0.00 0.00 177.00 176.78 2qbh s VAL 59 N -2.05 0.00 -0.44 -0.36 -7.23 -0.76 -4.89 120.40 104.67 2qbh s VAL 59 Ca 0.70 -0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.88 2qbh s VAL 59 Cb -0.22 -0.87 0.12 0.00 0.56 0.00 0.00 36.38 35.97 2qbh s VAL 59 CO 0.33 -0.01 0.18 -0.36 -0.31 0.00 0.00 175.10 174.93 2qbh s PHE 60 N 0.03 3.47 0.24 2.82 0.08 -1.25 -2.22 117.98 121.15 2qbh s PHE 60 Ca -0.02 -3.04 -0.28 0.00 0.12 0.00 0.00 56.93 53.71 2qbh s PHE 60 Cb -0.04 -2.91 -0.16 0.00 -0.57 0.00 0.00 43.02 39.34 2qbh s PHE 60 CO 0.02 -0.85 0.77 0.28 -0.10 0.00 0.00 175.22 175.34 2qbh n VAL 61 N 3.70 1.97 -4.43 -0.44 0.31 -1.16 -4.62 118.33 113.65 2qbh n VAL 61 Ca 0.04 -0.49 -0.21 0.00 -0.01 0.00 0.00 64.34 63.67 2qbh n VAL 61 Cb 0.37 -0.49 -0.10 0.00 -0.91 0.00 0.00 33.84 32.70 2qbh n VAL 61 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qbh s THR 62 N -1.01 1.40 0.00 2.52 2.01 -1.25 0.16 115.64 119.47 2qbh s THR 62 Ca 0.62 -2.06 0.00 0.00 0.31 0.00 0.00 61.69 60.56 2qbh s THR 62 Cb -0.82 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.11 2qbh s THR 62 CO 0.58 -0.19 0.79 -0.67 -0.69 0.00 0.00 174.62 174.45 2qbh n ASP 63 N -0.61 0.00 0.26 3.53 -0.08 -1.26 -1.48 116.55 116.91 2qbh n ASP 63 Ca -0.04 0.79 0.18 0.00 -1.51 0.00 0.00 54.79 54.21 2qbh n ASP 63 Cb 0.65 -0.29 0.89 0.00 2.34 0.00 0.00 41.12 44.70 2qbh n ASP 63 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2qbh h GLU 64 N 0.00 0.00 -3.88 -0.67 -0.00 -2.03 -3.25 114.58 104.75 2qbh h GLU 64 Ca 0.00 0.00 -0.74 0.00 -0.00 0.00 0.00 59.36 58.62 2qbh h GLU 64 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 28.75 28.61 2qbh h GLU 64 CO 0.00 0.00 2.06 -0.12 -0.00 0.00 0.00 179.01 180.95 2qbh n MET 65 N -3.32 3.46 0.12 1.06 0.00 -0.55 -4.39 117.12 113.50 2qbh n MET 65 Ca 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 57.70 54.25 2qbh n MET 65 Cb 0.34 -3.01 0.00 0.00 0.00 0.00 0.00 33.22 30.54 2qbh n MET 65 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2qbh n VAL 66 N 3.90 0.13 0.04 1.12 0.24 -1.23 -3.81 118.33 118.72 2qbh n VAL 66 Ca 0.41 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.76 2qbh n VAL 66 Cb 0.38 -0.63 0.01 0.00 -1.47 0.00 0.00 33.84 32.13 2qbh n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qbh n GLY 67 N 1.74 -0.02 3.92 7.63 0.00 -1.26 -2.47 105.19 114.72 2qbh n GLY 67 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2qbh n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qbh s HIS 68 N -2.00 2.88 0.23 1.61 3.76 -1.26 -4.88 115.29 115.62 2qbh s HIS 68 Ca 0.00 -0.35 -0.27 0.00 -0.15 0.00 0.00 55.06 54.29 2qbh s HIS 68 Cb 0.00 -2.05 -0.09 0.00 1.11 0.00 0.00 32.58 31.55 2qbh s HIS 68 CO 0.00 -0.06 0.87 0.15 -0.85 0.00 0.00 174.74 174.86 2qbh s LYS 69 N -4.14 4.69 0.41 1.40 -0.14 -1.26 -0.56 119.74 120.14 2qbh s LYS 69 Ca 0.46 1.32 0.11 0.00 -1.36 0.00 0.00 55.97 56.51 2qbh s LYS 69 Cb -0.07 -3.18 0.94 0.00 -1.68 0.00 0.00 37.83 33.84 2qbh s LYS 69 CO 0.29 0.49 1.97 1.25 -0.76 0.00 0.00 175.35 178.60 2qbh h LEU 70 N 4.02 0.46 -0.30 3.17 5.85 -0.38 -2.91 115.31 125.22 2qbh h LEU 70 Ca -0.46 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 2qbh h LEU 70 Cb 1.20 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2qbh h LEU 70 CO 0.67 0.29 0.12 1.23 -0.34 0.00 0.00 178.44 180.40 2qbh h GLY 71 N 0.52 0.49 1.15 3.75 0.00 0.47 -2.91 103.07 106.53 2qbh h GLY 71 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2qbh h GLY 71 CO -0.09 0.26 0.27 -1.84 0.00 0.00 0.00 176.54 175.14 2qbh n GLU 72 N -4.73 0.05 -1.48 4.80 0.28 -1.10 -0.68 120.64 117.79 2qbh n GLU 72 Ca -0.02 0.44 -0.34 0.00 -0.16 0.00 0.00 57.16 57.08 2qbh n GLU 72 Cb 0.14 -1.93 0.07 0.00 1.43 0.00 0.00 31.44 31.15 2qbh n GLU 72 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2qbh n PHE 73 N -1.71 3.16 -2.91 -1.84 3.01 -1.10 -4.71 117.46 111.37 2qbh n PHE 73 Ca -0.00 -2.88 0.01 0.00 1.01 0.00 0.00 57.45 55.58 2qbh n PHE 73 Cb 0.28 -1.28 0.00 0.00 -0.01 0.00 0.00 39.48 38.47 2qbh n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qbh s ALA 74 N -3.82 -3.70 0.79 4.37 0.00 0.15 -5.00 121.76 114.55 2qbh s ALA 74 Ca 0.62 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 53.28 2qbh s ALA 74 Cb 0.49 -2.91 0.07 0.00 0.00 0.00 0.00 23.12 20.76 2qbh s ALA 74 CO -0.04 -2.40 1.17 -0.35 0.00 0.00 0.00 175.76 174.15 2qbh n PRO 75 N 3.84 0.28 -0.07 0.00 -0.04 -1.26 -4.90 135.00 132.85 2qbh n PRO 75 Ca 0.08 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 2qbh n PRO 75 Cb 0.61 -2.42 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 2qbh n PRO 75 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2qbh n THR 76 N -3.12 0.78 -1.51 0.52 -1.04 -1.26 -4.87 114.28 103.78 2qbh n THR 76 Ca 0.14 -0.23 -0.31 0.00 -2.04 0.00 0.00 64.05 61.61 2qbh n THR 76 Cb 0.50 -1.44 0.07 0.00 -1.82 0.00 0.00 70.33 67.65 2qbh n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qbh s ARG 77 N -2.26 2.45 -0.22 -2.82 1.70 -1.26 -4.82 118.95 111.72 2qbh s ARG 77 Ca -0.19 0.85 0.01 0.00 -0.47 0.00 0.00 55.73 55.93 2qbh s ARG 77 Cb 0.07 -1.94 0.05 0.00 -0.57 0.00 0.00 34.95 32.55 2qbh s ARG 77 CO 0.27 -1.42 -0.07 0.99 -1.08 0.00 0.00 175.30 173.99 2qbh s THR 78 N -3.06 1.55 -0.33 4.99 2.01 -1.26 -5.10 115.64 114.44 2qbh s THR 78 Ca 0.60 -1.10 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 2qbh s THR 78 Cb -0.15 -1.73 0.05 0.00 0.01 0.00 0.00 72.50 70.68 2qbh s THR 78 CO 0.55 0.03 0.07 -0.47 -0.69 0.00 0.00 174.62 174.10 2qbh s TYR 79 N 1.41 3.28 0.00 4.92 5.04 -1.26 -5.33 117.35 125.41 2qbh s TYR 79 Ca -0.04 -1.69 0.00 0.00 -2.44 0.00 0.00 57.07 52.91 2qbh s TYR 79 Cb -0.18 -2.27 0.00 0.00 0.35 0.00 0.00 41.96 39.87 2qbh s TYR 79 CO -0.07 -0.78 0.00 0.54 -1.34 0.00 0.00 175.55 173.90