#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbj n ARG 2 N 0.00 -3.84 -4.33 0.54 3.00 -1.26 -5.06 116.66 105.72 2qbj n ARG 2 Ca 0.00 2.92 -0.22 0.00 -0.01 0.00 0.00 57.85 60.54 2qbj n ARG 2 Cb 0.00 -3.69 -0.13 0.00 0.00 0.00 0.00 32.46 28.64 2qbj n ARG 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2qbj s SER 3 N -0.45 2.07 0.00 0.55 0.01 -1.26 -4.95 113.70 109.67 2qbj s SER 3 Ca -0.02 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2qbj s SER 3 Cb 0.00 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2qbj s SER 3 CO 0.05 0.03 0.18 -0.11 0.41 0.00 0.00 173.24 173.81 2qbj n LEU 4 N 1.46 0.00 0.00 2.44 0.00 -1.26 -5.12 117.00 114.52 2qbj n LEU 4 Ca -0.19 -0.47 0.00 0.00 0.00 0.00 0.00 56.01 55.35 2qbj n LEU 4 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.96 2qbj n LEU 4 CO 0.22 0.64 0.00 0.29 0.00 0.00 0.00 177.39 178.54 2qbj n LYS 5 N 0.00 0.00 -3.77 1.96 4.01 -1.26 -3.92 118.16 115.18 2qbj n LYS 5 Ca 0.00 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.44 2qbj n LYS 5 Cb 0.29 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 34.70 2qbj n LYS 5 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2qbj s LYS 6 N 0.00 2.17 0.00 1.97 -0.14 -1.26 -4.90 119.74 117.59 2qbj s LYS 6 Ca 0.00 -2.09 0.00 0.00 -1.36 0.00 0.00 55.97 52.52 2qbj s LYS 6 Cb 0.00 -3.61 0.00 0.00 -1.68 0.00 0.00 37.83 32.54 2qbj s LYS 6 CO 0.00 -1.10 0.00 0.41 -0.76 0.00 0.00 175.35 173.90 2qbj n GLY 7 N 4.16 -1.06 3.68 -3.33 0.00 -1.25 -5.12 105.19 102.27 2qbj n GLY 7 Ca 0.02 0.45 -0.44 0.00 0.00 0.00 0.00 46.02 46.04 2qbj n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qbj n PRO 8 N 0.00 2.50 -4.29 1.61 -0.02 -1.26 -4.98 135.00 128.56 2qbj n PRO 8 Ca 0.00 0.91 -0.29 0.00 -2.02 0.00 0.00 63.50 62.09 2qbj n PRO 8 Cb 0.00 -2.76 -0.11 0.00 -0.02 0.00 0.00 33.50 30.61 2qbj n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qbj s PHE 9 N 2.36 2.56 -0.19 6.00 2.19 -1.26 -5.05 117.98 124.59 2qbj s PHE 9 Ca 0.83 -0.25 -0.15 0.00 0.33 0.00 0.00 56.93 57.69 2qbj s PHE 9 Cb -0.58 -1.35 0.06 0.00 -1.31 0.00 0.00 43.02 39.83 2qbj s PHE 9 CO 0.40 0.39 0.50 0.96 1.83 0.00 0.00 175.22 179.30 2qbj s ILE 10 N -1.16 -0.01 0.62 3.12 -4.36 -1.26 -2.42 121.20 115.73 2qbj s ILE 10 Ca 0.18 0.03 -0.18 0.00 -0.26 0.00 0.00 60.65 60.43 2qbj s ILE 10 Cb -0.11 -0.71 -0.06 0.00 1.25 0.00 0.00 42.46 42.84 2qbj s ILE 10 CO 0.11 0.01 0.72 0.47 0.24 0.00 0.00 174.94 176.49 2qbj n ASP 11 N 3.42 -0.30 -0.34 4.36 9.92 -1.26 -4.83 116.55 127.53 2qbj n ASP 11 Ca -0.17 0.73 0.04 0.00 -0.53 0.00 0.00 54.79 54.86 2qbj n ASP 11 Cb 0.56 -1.28 0.19 0.00 -0.64 0.00 0.00 41.12 39.96 2qbj n ASP 11 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2qbj h LEU 12 N 0.17 0.87 0.00 0.64 3.38 -2.01 -3.02 115.31 115.34 2qbj h LEU 12 Ca -0.47 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2qbj h LEU 12 Cb 1.37 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2qbj h LEU 12 CO 0.48 0.50 0.00 1.41 0.09 0.00 0.00 178.44 180.92 2qbj n HIS 13 N -4.63 0.00 -0.00 1.13 -0.00 -1.26 -1.54 115.22 108.92 2qbj n HIS 13 Ca 0.16 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 58.00 2qbj n HIS 13 Cb 0.27 -0.47 0.55 0.00 -0.00 0.00 0.00 29.99 30.33 2qbj n HIS 13 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.34 177.71 2qbj h LEU 14 N 0.00 0.25 0.67 2.41 -0.00 -1.93 -1.35 115.31 115.36 2qbj h LEU 14 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 2qbj h LEU 14 Cb 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 2qbj h LEU 14 CO 0.00 0.16 -0.42 0.25 -0.00 0.00 0.00 178.44 178.43 2qbj h LEU 15 N 0.29 -1.06 -1.33 0.17 6.46 -1.15 0.70 115.31 119.38 2qbj h LEU 15 Ca 0.21 0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.97 2qbj h LEU 15 Cb 0.46 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.70 2qbj h LEU 15 CO -0.04 -0.65 -0.32 0.11 -0.62 0.00 0.00 178.44 176.91 2qbj h LYS 16 N -1.03 0.00 -0.04 1.25 1.79 -1.08 -2.21 116.57 115.25 2qbj h LYS 16 Ca -0.08 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.27 2qbj h LYS 16 Cb 0.83 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.49 2qbj h LYS 16 CO 0.08 0.32 -0.44 0.87 -1.08 0.00 0.00 179.45 179.20 2qbj h LYS 17 N 0.00 0.37 -0.16 3.15 1.79 -0.90 -2.91 116.57 117.91 2qbj h LYS 17 Ca -0.00 -0.35 -0.18 0.00 -2.18 0.00 0.00 60.65 57.94 2qbj h LYS 17 Cb 0.63 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2qbj h LYS 17 CO 0.04 1.01 -0.62 -0.24 -1.08 0.00 0.00 179.45 178.56 2qbj h VAL 18 N -0.14 1.33 -0.35 0.50 3.04 0.44 -1.99 116.25 119.07 2qbj h VAL 18 Ca -0.04 -1.90 -0.03 0.00 -1.01 0.00 0.00 66.70 63.71 2qbj h VAL 18 Cb 1.13 1.87 -0.01 0.00 -2.01 0.00 0.00 31.29 32.27 2qbj h VAL 18 CO 0.09 0.59 0.09 -0.08 -1.01 0.00 0.00 177.57 177.25 2qbj h GLU 19 N 0.42 0.56 -0.33 4.17 4.57 -1.51 -2.52 114.58 119.95 2qbj h GLU 19 Ca -0.01 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 57.96 2qbj h GLU 19 Cb 1.19 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 2qbj h GLU 19 CO 0.12 0.61 -0.13 -0.22 -1.18 0.00 0.00 179.01 178.21 2qbj h LYS 20 N 0.42 0.57 -0.19 1.92 3.11 -1.52 -1.86 116.57 119.00 2qbj h LYS 20 Ca 0.11 -0.17 0.06 0.00 -2.81 0.00 0.00 60.65 57.84 2qbj h LYS 20 Cb 0.30 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 2qbj h LYS 20 CO 0.00 0.68 0.14 0.00 -2.81 0.00 0.00 179.45 177.47 2qbj h ALA 21 N 1.35 2.17 -0.10 5.00 0.00 -0.95 -0.04 119.26 126.70 2qbj h ALA 21 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qbj h ALA 21 Cb 0.53 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2qbj h ALA 21 CO 0.03 -0.24 0.05 0.28 0.00 0.00 0.00 179.25 179.37 2qbj h VAL 22 N 0.00 1.10 0.05 0.00 2.07 -0.95 0.57 116.25 119.08 2qbj h VAL 22 Ca 0.09 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2qbj h VAL 22 Cb 0.37 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2qbj h VAL 22 CO -0.00 0.09 -0.02 1.05 0.02 0.00 0.00 177.57 178.70 2qbj h GLU 23 N 0.05 -0.06 0.00 1.57 -0.00 -1.40 -3.20 114.58 111.54 2qbj h GLU 23 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.40 2qbj h GLU 23 Cb 0.10 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.86 2qbj h GLU 23 CO -0.00 0.58 0.00 0.66 -0.00 0.00 0.00 179.01 180.25 2qbj h SER 24 N -0.84 0.00 -3.16 3.06 4.64 -1.11 -3.48 113.55 112.66 2qbj h SER 24 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2qbj h SER 24 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2qbj h SER 24 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2qbj n GLY 25 N -1.06 -1.84 3.85 -0.77 0.00 0.19 -4.93 105.19 100.63 2qbj n GLY 25 Ca -0.02 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 2qbj n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qbj s ASP 26 N -4.00 6.74 0.00 1.61 1.11 -1.26 -4.57 116.67 116.30 2qbj s ASP 26 Ca 0.00 1.41 0.00 0.00 0.18 0.00 0.00 52.55 54.14 2qbj s ASP 26 Cb 0.00 -2.43 0.00 0.00 1.07 0.00 0.00 42.92 41.56 2qbj s ASP 26 CO 0.00 -0.35 0.00 2.29 1.18 0.00 0.00 175.17 178.29 2qbj n LYS 27 N -0.83 0.00 -1.34 8.23 2.85 -1.26 -5.15 118.16 120.66 2qbj n LYS 27 Ca 0.05 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.97 2qbj n LYS 27 Cb 0.54 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 35.02 2qbj n LYS 27 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2qbj s LYS 28 N 4.89 2.01 0.37 -1.58 0.00 -1.26 -4.69 119.74 119.48 2qbj s LYS 28 Ca 0.00 1.74 -0.06 0.00 0.00 0.00 0.00 55.97 57.65 2qbj s LYS 28 Cb 0.00 -1.82 0.10 0.00 0.00 0.00 0.00 37.83 36.11 2qbj s LYS 28 CO 0.00 -1.93 0.26 -0.35 0.00 0.00 0.00 175.35 173.32 2qbj n PRO 29 N -2.89 -2.33 -3.98 1.78 -0.04 -1.25 -4.76 135.00 121.52 2qbj n PRO 29 Ca 0.13 -0.42 -0.33 0.00 -0.04 0.00 0.00 63.50 62.84 2qbj n PRO 29 Cb 0.50 -0.49 -0.14 0.00 -0.04 0.00 0.00 33.50 33.34 2qbj n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qbj s LEU 30 N 0.00 4.23 -0.51 1.53 1.43 -0.82 -4.72 118.68 119.81 2qbj s LEU 30 Ca 0.18 -1.71 -0.27 0.00 -1.03 0.00 0.00 54.13 51.30 2qbj s LEU 30 Cb -0.03 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2qbj s LEU 30 CO 0.15 -0.32 1.83 -0.60 0.23 0.00 0.00 176.35 177.64 2qbj s ARG 31 N 1.07 2.88 0.01 1.70 6.06 -1.26 -0.47 118.95 128.96 2qbj s ARG 31 Ca 0.01 0.89 -0.16 0.00 -2.50 0.00 0.00 55.73 53.97 2qbj s ARG 31 Cb -0.20 -4.31 0.03 0.00 0.06 0.00 0.00 34.95 30.52 2qbj s ARG 31 CO -0.05 -2.41 0.34 0.95 -2.50 0.00 0.00 175.30 171.63 2qbj s THR 32 N 8.27 0.06 -1.16 4.11 -4.23 -1.06 -4.98 115.64 116.66 2qbj s THR 32 Ca 0.71 -0.52 0.11 0.00 -1.18 0.00 0.00 61.69 60.81 2qbj s THR 32 Cb -0.16 -0.81 0.17 0.00 1.34 0.00 0.00 72.50 73.04 2qbj s THR 32 CO 0.25 -0.29 1.00 0.79 -0.54 0.00 0.00 174.62 175.84 2qbj n TRP 33 N 0.88 0.18 0.08 3.99 8.01 -1.26 -2.51 117.44 126.80 2qbj n TRP 33 Ca -0.20 -0.20 0.00 0.00 -1.31 0.00 0.00 57.50 55.79 2qbj n TRP 33 Cb 0.58 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.87 2qbj n TRP 33 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2qbj n SER 34 N 0.55 2.73 0.05 -0.99 3.41 -1.26 -4.31 113.62 113.80 2qbj n SER 34 Ca 0.08 -1.62 0.22 0.00 -0.26 0.00 0.00 58.87 57.29 2qbj n SER 34 Cb 0.33 -0.54 0.71 0.00 -0.26 0.00 0.00 64.21 64.45 2qbj n SER 34 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2qbj h ARG 35 N 1.54 0.00 0.00 4.33 0.11 -1.90 0.67 114.38 119.13 2qbj h ARG 35 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2qbj h ARG 35 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 2qbj h ARG 35 CO 0.00 0.00 0.00 2.89 0.10 0.00 0.00 179.97 182.96 2qbj n ARG 36 N -3.66 0.70 -2.83 0.08 1.85 -1.26 0.10 116.66 111.65 2qbj n ARG 36 Ca 0.09 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.68 2qbj n ARG 36 Cb 0.73 -1.41 -0.00 0.00 -1.05 0.00 0.00 32.46 30.73 2qbj n ARG 36 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2qbj s SER 37 N -1.88 6.21 0.33 2.89 0.01 0.23 -4.88 113.70 116.61 2qbj s SER 37 Ca 0.28 0.76 -0.06 0.00 1.31 0.00 0.00 55.95 58.23 2qbj s SER 37 Cb 0.13 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 64.18 2qbj s SER 37 CO 0.22 -0.54 0.63 -0.89 0.41 0.00 0.00 173.24 173.06 2qbj s THR 38 N -2.64 4.95 0.24 1.44 2.01 -1.02 -0.11 115.64 120.51 2qbj s THR 38 Ca 0.46 0.21 -0.16 0.00 0.31 0.00 0.00 61.69 62.51 2qbj s THR 38 Cb -0.10 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.59 2qbj s THR 38 CO 0.42 -0.41 0.67 -0.63 -0.69 0.00 0.00 174.62 173.99 2qbj s ILE 39 N -2.20 4.70 0.28 1.82 1.01 0.16 -4.72 121.20 122.24 2qbj s ILE 39 Ca 0.46 1.00 0.07 0.00 0.00 0.00 0.00 60.65 62.18 2qbj s ILE 39 Cb -0.11 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 2qbj s ILE 39 CO 0.31 0.07 -0.06 -0.36 0.00 0.00 0.00 174.94 174.89 2qbj s PHE 40 N -1.68 1.97 0.18 3.97 0.40 -1.26 -4.27 117.98 117.29 2qbj s PHE 40 Ca 0.46 -0.68 -0.10 0.00 -0.60 0.00 0.00 56.93 56.01 2qbj s PHE 40 Cb -0.14 -1.12 0.08 0.00 0.51 0.00 0.00 43.02 42.35 2qbj s PHE 40 CO 0.20 0.30 1.68 -1.00 0.70 0.00 0.00 175.22 177.10 2qbj h PRO 41 N 2.27 1.02 0.00 0.24 0.13 -1.93 -2.21 132.00 131.52 2qbj h PRO 41 Ca -0.40 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2qbj h PRO 41 Cb 1.23 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qbj h PRO 41 CO 0.67 0.94 0.00 0.27 -0.23 0.00 0.00 178.00 179.65 2qbj n ASN 42 N -4.30 0.00 0.03 1.44 2.04 -1.26 0.26 115.26 113.48 2qbj n ASN 42 Ca 0.04 0.38 0.11 0.00 -0.44 0.00 0.00 54.58 54.67 2qbj n ASN 42 Cb 0.27 -0.40 -0.04 0.00 -2.53 0.00 0.00 39.78 37.08 2qbj n ASN 42 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 2qbj n MET 43 N -1.40 0.44 -1.57 -3.83 0.00 -0.83 -4.81 117.12 105.11 2qbj n MET 43 Ca 0.01 -0.03 -0.46 0.00 0.00 0.00 0.00 57.70 57.22 2qbj n MET 43 Cb 0.02 -1.62 -0.02 0.00 0.00 0.00 0.00 33.22 31.60 2qbj n MET 43 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 2qbj n ILE 44 N -2.16 1.62 -1.10 2.02 3.06 0.14 -0.60 119.36 122.33 2qbj n ILE 44 Ca 0.00 -0.41 -0.04 0.00 -2.50 0.00 0.00 62.75 59.81 2qbj n ILE 44 Cb 0.49 -0.88 -0.02 0.00 0.54 0.00 0.00 39.64 39.77 2qbj n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2qbj n GLY 45 N 1.55 0.46 3.94 4.50 0.00 0.39 -4.88 105.19 111.16 2qbj n GLY 45 Ca 0.12 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 2qbj n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbj s LEU 46 N -0.82 4.17 -0.19 0.99 2.01 0.23 -4.86 118.68 120.21 2qbj s LEU 46 Ca 0.00 0.34 -0.09 0.00 0.01 0.00 0.00 54.13 54.39 2qbj s LEU 46 Cb 0.00 -3.14 -0.05 0.00 0.01 0.00 0.00 46.19 43.01 2qbj s LEU 46 CO 0.00 -0.14 0.11 0.42 1.01 0.00 0.00 176.35 177.74 2qbj s THR 47 N -2.06 5.20 -0.00 5.49 -4.23 -1.26 -3.01 115.64 115.77 2qbj s THR 47 Ca 0.38 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.01 2qbj s THR 47 Cb -0.10 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.38 2qbj s THR 47 CO 0.32 0.46 -0.03 -0.63 -0.54 0.00 0.00 174.62 174.20 2qbj s ILE 48 N 0.25 0.25 -1.09 2.99 1.01 -0.91 -1.95 121.20 121.75 2qbj s ILE 48 Ca 0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.52 2qbj s ILE 48 Cb -0.11 -0.22 0.28 0.00 0.01 0.00 0.00 42.46 42.41 2qbj s ILE 48 CO -0.01 0.08 1.12 0.00 0.00 0.00 0.00 174.94 176.13 2qbj n ALA 49 N 3.10 4.29 -2.53 9.38 0.00 0.39 -1.82 120.51 133.32 2qbj n ALA 49 Ca -0.14 -4.68 -0.43 0.00 0.00 0.00 0.00 53.44 48.19 2qbj n ALA 49 Cb 0.58 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 2qbj n ALA 49 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qbj s VAL 50 N -1.48 4.18 0.49 0.00 1.01 0.49 -2.55 120.40 122.54 2qbj s VAL 50 Ca 0.31 1.24 -0.23 0.00 0.00 0.00 0.00 61.98 63.30 2qbj s VAL 50 Cb -0.08 -4.44 -0.06 0.00 0.00 0.00 0.00 36.38 31.80 2qbj s VAL 50 CO -0.06 -0.82 1.29 -2.28 0.00 0.00 0.00 175.10 173.23 2qbj s HIS 51 N 4.54 2.57 -0.01 5.22 5.65 -1.05 0.95 115.29 133.17 2qbj s HIS 51 Ca 0.51 1.43 -0.04 0.00 0.25 0.00 0.00 55.06 57.21 2qbj s HIS 51 Cb -0.10 -3.64 -0.02 0.00 -1.18 0.00 0.00 32.58 27.63 2qbj s HIS 51 CO 0.28 -2.31 -0.09 0.27 -0.65 0.00 0.00 174.74 172.24 2qbj n ASN 52 N -0.64 1.02 0.00 9.88 6.94 0.06 -4.82 115.26 127.69 2qbj n ASN 52 Ca 0.08 0.15 0.00 0.00 -0.02 0.00 0.00 54.58 54.79 2qbj n ASN 52 Cb 0.46 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 2qbj n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qbj n GLY 53 N 2.82 -0.49 0.09 4.83 0.00 -1.26 -4.84 105.19 106.34 2qbj n GLY 53 Ca -0.08 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2qbj n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbj n ARG 54 N -2.32 0.51 -1.62 1.61 1.74 -1.26 -5.06 116.66 110.25 2qbj n ARG 54 Ca 0.00 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2qbj n ARG 54 Cb 0.00 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 2qbj n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2qbj n GLN 55 N -4.50 0.34 -3.55 5.56 1.13 -1.26 -5.15 117.38 109.95 2qbj n GLN 55 Ca -0.20 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.61 2qbj n GLN 55 Cb 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.82 2qbj n GLN 55 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2qbj s HIS 56 N -1.64 3.49 -0.01 1.08 3.76 -1.26 -0.76 115.29 119.93 2qbj s HIS 56 Ca 0.00 0.32 0.06 0.00 -0.15 0.00 0.00 55.06 55.29 2qbj s HIS 56 Cb 0.00 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.82 2qbj s HIS 56 CO 0.00 0.25 -0.20 0.14 -0.85 0.00 0.00 174.74 174.08 2qbj s VAL 57 N -2.12 1.55 0.59 -0.90 -7.23 0.27 -4.82 120.40 107.74 2qbj s VAL 57 Ca 0.39 -0.85 -0.18 0.00 -1.81 0.00 0.00 61.98 59.54 2qbj s VAL 57 Cb -0.10 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 2qbj s VAL 57 CO 0.32 0.43 1.12 -2.16 -0.31 0.00 0.00 175.10 174.50 2qbj s PRO 58 N -0.48 3.17 -0.19 4.82 0.04 -1.25 -0.38 135.00 140.72 2qbj s PRO 58 Ca 0.08 1.50 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 2qbj s PRO 58 Cb -0.08 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.53 2qbj s PRO 58 CO -0.01 -0.98 0.61 0.14 0.04 0.00 0.00 177.00 176.80 2qbj s VAL 59 N -2.02 0.00 -0.45 -0.36 -7.23 -0.75 -4.89 120.40 104.70 2qbj s VAL 59 Ca 0.70 -0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.88 2qbj s VAL 59 Cb -0.22 -0.86 0.12 0.00 0.56 0.00 0.00 36.38 35.98 2qbj s VAL 59 CO 0.32 -0.01 0.19 -0.36 -0.31 0.00 0.00 175.10 174.93 2qbj s PHE 60 N 0.03 3.43 0.24 2.82 0.08 -1.25 -2.15 117.98 121.17 2qbj s PHE 60 Ca -0.02 -3.07 -0.28 0.00 0.12 0.00 0.00 56.93 53.68 2qbj s PHE 60 Cb -0.04 -2.90 -0.16 0.00 -0.57 0.00 0.00 43.02 39.36 2qbj s PHE 60 CO 0.02 -0.83 0.75 0.28 -0.10 0.00 0.00 175.22 175.34 2qbj n VAL 61 N 3.60 1.97 -4.44 -0.44 0.31 -1.16 -4.62 118.33 113.55 2qbj n VAL 61 Ca 0.05 -0.49 -0.21 0.00 -0.01 0.00 0.00 64.34 63.67 2qbj n VAL 61 Cb 0.36 -0.45 -0.10 0.00 -0.91 0.00 0.00 33.84 32.74 2qbj n VAL 61 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qbj s THR 62 N -1.01 1.41 0.00 2.52 2.01 -1.25 0.15 115.64 119.47 2qbj s THR 62 Ca 0.62 -2.05 0.00 0.00 0.31 0.00 0.00 61.69 60.57 2qbj s THR 62 Cb -0.83 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.05 2qbj s THR 62 CO 0.58 -0.15 0.78 -0.67 -0.69 0.00 0.00 174.62 174.46 2qbj n ASP 63 N -0.64 0.00 0.25 3.53 -0.08 -1.26 -1.52 116.55 116.83 2qbj n ASP 63 Ca -0.04 0.78 0.18 0.00 -1.51 0.00 0.00 54.79 54.20 2qbj n ASP 63 Cb 0.65 -0.28 0.87 0.00 2.34 0.00 0.00 41.12 44.70 2qbj n ASP 63 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2qbj h GLU 64 N 0.00 0.00 -3.92 -0.67 -0.00 -2.03 -3.25 114.58 104.72 2qbj h GLU 64 Ca 0.00 0.00 -0.74 0.00 -0.00 0.00 0.00 59.36 58.62 2qbj h GLU 64 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 28.75 28.61 2qbj h GLU 64 CO 0.00 0.00 2.07 -0.12 -0.00 0.00 0.00 179.01 180.96 2qbj n MET 65 N -3.35 3.45 0.11 1.06 0.00 -0.57 -4.38 117.12 113.43 2qbj n MET 65 Ca 0.01 -3.44 0.00 0.00 0.00 0.00 0.00 57.70 54.26 2qbj n MET 65 Cb 0.37 -3.03 0.00 0.00 0.00 0.00 0.00 33.22 30.56 2qbj n MET 65 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2qbj n VAL 66 N 3.96 0.12 0.13 1.12 0.24 -1.23 -3.81 118.33 118.86 2qbj n VAL 66 Ca 0.41 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.76 2qbj n VAL 66 Cb 0.38 -0.63 0.03 0.00 -1.47 0.00 0.00 33.84 32.15 2qbj n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qbj n GLY 67 N 1.72 -0.06 3.91 7.63 0.00 -1.26 -2.53 105.19 114.59 2qbj n GLY 67 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2qbj n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qbj s HIS 68 N -2.00 2.91 0.28 1.61 3.76 -1.26 -4.89 115.29 115.70 2qbj s HIS 68 Ca 0.01 -0.33 -0.27 0.00 -0.15 0.00 0.00 55.06 54.32 2qbj s HIS 68 Cb 0.01 -1.98 -0.09 0.00 1.11 0.00 0.00 32.58 31.62 2qbj s HIS 68 CO 0.01 0.01 0.92 0.15 -0.85 0.00 0.00 174.74 174.99 2qbj s LYS 69 N -4.10 4.67 0.40 1.40 -0.14 -1.26 -0.66 119.74 120.04 2qbj s LYS 69 Ca 0.45 1.36 0.08 0.00 -1.36 0.00 0.00 55.97 56.50 2qbj s LYS 69 Cb -0.07 -3.01 0.85 0.00 -1.68 0.00 0.00 37.83 33.93 2qbj s LYS 69 CO 0.29 0.39 2.01 1.25 -0.76 0.00 0.00 175.35 178.52 2qbj h LEU 70 N 3.61 0.52 -0.32 3.17 5.85 -0.41 -3.00 115.31 124.73 2qbj h LEU 70 Ca -0.46 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 2qbj h LEU 70 Cb 1.20 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2qbj h LEU 70 CO 0.66 0.35 0.13 1.23 -0.34 0.00 0.00 178.44 180.47 2qbj h GLY 71 N 0.60 0.52 1.15 3.75 0.00 0.47 -2.90 103.07 106.65 2qbj h GLY 71 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2qbj h GLY 71 CO -0.06 0.26 0.28 -1.84 0.00 0.00 0.00 176.54 175.18 2qbj n GLU 72 N -4.72 0.05 -1.46 4.80 0.28 -1.13 -0.61 120.64 117.86 2qbj n GLU 72 Ca -0.02 0.45 -0.34 0.00 -0.16 0.00 0.00 57.16 57.10 2qbj n GLU 72 Cb 0.14 -1.95 0.07 0.00 1.43 0.00 0.00 31.44 31.13 2qbj n GLU 72 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2qbj n PHE 73 N -1.74 3.16 -2.92 -1.84 3.01 -1.10 -4.71 117.46 111.33 2qbj n PHE 73 Ca -0.01 -2.90 0.01 0.00 1.01 0.00 0.00 57.45 55.56 2qbj n PHE 73 Cb 0.29 -1.29 0.00 0.00 -0.01 0.00 0.00 39.48 38.47 2qbj n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qbj s ALA 74 N -3.81 -3.61 0.77 4.37 0.00 0.22 -5.00 121.76 114.71 2qbj s ALA 74 Ca 0.62 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 53.23 2qbj s ALA 74 Cb 0.49 -2.90 0.06 0.00 0.00 0.00 0.00 23.12 20.77 2qbj s ALA 74 CO -0.02 -2.39 1.18 -0.35 0.00 0.00 0.00 175.76 174.18 2qbj n PRO 75 N 3.86 0.39 -0.07 0.00 -0.04 -1.26 -4.90 135.00 132.97 2qbj n PRO 75 Ca 0.08 0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.62 2qbj n PRO 75 Cb 0.61 -2.42 -0.06 0.00 -0.04 0.00 0.00 33.50 31.59 2qbj n PRO 75 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2qbj n THR 76 N -2.95 0.80 -1.60 0.52 -1.04 -1.26 -4.87 114.28 103.88 2qbj n THR 76 Ca 0.14 -0.25 -0.31 0.00 -2.04 0.00 0.00 64.05 61.59 2qbj n THR 76 Cb 0.50 -1.35 0.06 0.00 -1.82 0.00 0.00 70.33 67.72 2qbj n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qbj s ARG 77 N -2.27 2.78 -0.22 -2.82 1.70 -1.26 -4.82 118.95 112.04 2qbj s ARG 77 Ca -0.20 0.85 0.01 0.00 -0.47 0.00 0.00 55.73 55.92 2qbj s ARG 77 Cb 0.06 -1.98 0.05 0.00 -0.57 0.00 0.00 34.95 32.52 2qbj s ARG 77 CO 0.29 -1.18 -0.08 0.99 -1.08 0.00 0.00 175.30 174.24 2qbj s THR 78 N -3.09 1.63 -0.33 4.99 2.01 -1.26 -5.10 115.64 114.49 2qbj s THR 78 Ca 0.58 -1.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 2qbj s THR 78 Cb -0.14 -1.80 0.05 0.00 0.01 0.00 0.00 72.50 70.62 2qbj s THR 78 CO 0.55 0.03 0.07 -0.47 -0.69 0.00 0.00 174.62 174.10 2qbj s TYR 79 N 1.37 3.28 0.00 4.92 5.04 -1.26 -5.33 117.35 125.37 2qbj s TYR 79 Ca -0.04 -1.65 0.00 0.00 -2.44 0.00 0.00 57.07 52.94 2qbj s TYR 79 Cb -0.18 -2.27 0.00 0.00 0.35 0.00 0.00 41.96 39.86 2qbj s TYR 79 CO -0.07 -0.77 0.00 0.54 -1.34 0.00 0.00 175.55 173.91