#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2blj s LEU 2 N 0.00 4.11 0.60 7.52 1.02 -1.26 -5.09 118.68 125.58 2blj s LEU 2 Ca 0.00 0.68 -0.07 0.00 0.02 0.00 0.00 54.13 54.77 2blj s LEU 2 Cb 0.00 -3.48 0.00 0.00 0.02 0.00 0.00 46.19 42.73 2blj s LEU 2 CO 0.00 -0.14 0.92 -0.94 0.02 0.00 0.00 176.35 176.21 2blj s SER 3 N -3.01 5.68 0.35 2.29 1.04 -1.26 -4.90 113.70 113.88 2blj s SER 3 Ca 0.43 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.73 2blj s SER 3 Cb -0.11 -1.84 0.64 0.00 0.10 0.00 0.00 66.02 64.82 2blj s SER 3 CO 0.28 -1.04 1.99 -0.08 0.98 0.00 0.00 173.24 175.37 2blj h GLU 4 N -0.21 0.83 -0.79 4.02 4.57 -1.99 -1.28 114.58 119.74 2blj h GLU 4 Ca -0.45 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 2blj h GLU 4 Cb 1.25 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.61 2blj h GLU 4 CO 0.61 0.55 0.38 0.78 -1.18 0.00 0.00 179.01 180.15 2blj h GLY 5 N 0.86 1.22 1.06 1.92 0.00 -1.99 0.56 103.07 106.69 2blj h GLY 5 Ca 0.27 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 2blj h GLY 5 CO -0.07 0.57 -0.34 0.83 0.00 0.00 0.00 176.54 177.53 2blj h GLU 6 N 1.13 0.84 -0.86 4.80 5.08 -1.67 -2.62 114.58 121.27 2blj h GLU 6 Ca 0.27 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2blj h GLU 6 Cb 0.11 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2blj h GLU 6 CO -0.03 1.08 0.47 -1.49 -1.00 0.00 0.00 179.01 178.03 2blj h TRP 7 N 0.62 1.19 -0.96 4.33 4.06 -0.87 -2.14 115.95 122.18 2blj h TRP 7 Ca 0.06 -0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.01 2blj h TRP 7 Cb 0.92 -0.38 -0.05 0.00 -1.00 0.00 0.00 29.16 28.65 2blj h TRP 7 CO 0.07 0.83 0.63 1.96 -3.56 0.00 0.00 178.44 178.37 2blj h GLN 8 N 1.21 1.20 -0.48 0.49 1.08 -0.73 0.11 115.11 117.99 2blj h GLN 8 Ca 0.30 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.34 2blj h GLN 8 Cb 0.03 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.17 2blj h GLN 8 CO -0.05 0.80 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.49 2blj h LEU 9 N 1.24 0.82 -0.05 1.46 3.38 -1.08 -0.63 115.31 120.45 2blj h LEU 9 Ca 0.38 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2blj h LEU 9 Cb -0.03 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2blj h LEU 9 CO -0.11 0.92 -0.03 0.58 0.09 0.00 0.00 178.44 179.89 2blj h VAL 10 N 0.77 1.34 0.00 1.22 2.07 -0.70 -3.04 116.25 117.91 2blj h VAL 10 Ca 0.14 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 2blj h VAL 10 Cb 0.55 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2blj h VAL 10 CO 0.03 0.29 -0.20 -0.07 0.02 0.00 0.00 177.57 177.65 2blj h LEU 11 N -0.30 0.00 -0.33 2.57 -0.00 -0.76 -1.79 115.31 114.70 2blj h LEU 11 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.76 2blj h LEU 11 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 2blj h LEU 11 CO 0.01 0.20 -0.32 -0.74 -0.00 0.00 0.00 178.44 177.59 2blj h HIS 12 N 0.00 0.96 0.01 1.13 2.76 -1.09 -2.01 115.15 116.90 2blj h HIS 12 Ca -0.00 -0.29 -0.20 0.00 -2.20 0.00 0.00 60.37 57.69 2blj h HIS 12 Cb 0.61 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 2blj h HIS 12 CO 0.00 1.06 -0.92 -0.24 -1.30 0.00 0.00 177.93 176.53 2blj h VAL 13 N 0.58 1.64 -0.05 5.26 3.04 -1.41 -3.17 116.25 122.13 2blj h VAL 13 Ca 0.05 -3.10 -0.06 0.00 -1.01 0.00 0.00 66.70 62.59 2blj h VAL 13 Cb 0.90 2.69 -0.01 0.00 -2.01 0.00 0.00 31.29 32.85 2blj h VAL 13 CO 0.08 0.89 -0.26 -0.25 -1.01 0.00 0.00 177.57 177.02 2blj h TRP 14 N 0.01 0.10 0.00 3.17 2.91 -1.24 -1.60 115.95 119.29 2blj h TRP 14 Ca -0.02 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.97 2blj h TRP 14 Cb 1.62 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 30.24 2blj h TRP 14 CO 0.00 0.34 -0.10 0.00 -1.03 0.00 0.00 178.44 177.66 2blj h ALA 15 N 1.66 1.79 -0.03 2.65 0.00 -1.33 -1.12 119.26 122.88 2blj h ALA 15 Ca 0.01 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 2blj h ALA 15 Cb 0.50 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.30 2blj h ALA 15 CO 0.04 0.13 -0.98 0.87 0.00 0.00 0.00 179.25 179.30 2blj h LYS 16 N 0.00 0.72 -0.88 0.00 1.79 -1.40 -3.17 116.57 113.63 2blj h LYS 16 Ca -0.00 -0.74 0.06 0.00 -2.18 0.00 0.00 60.65 57.79 2blj h LYS 16 Cb 0.19 0.20 -0.06 0.00 -1.58 0.00 0.00 32.23 30.98 2blj h LYS 16 CO 0.01 1.31 0.55 0.28 -1.08 0.00 0.00 179.45 180.53 2blj h VAL 17 N 0.42 1.07 0.00 0.50 2.07 -0.95 -1.36 116.25 117.99 2blj h VAL 17 Ca -0.11 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2blj h VAL 17 Cb 1.63 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2blj h VAL 17 CO 0.20 0.19 0.00 -0.62 0.02 0.00 0.00 177.57 177.35 2blj n GLU 18 N -4.59 0.01 0.23 1.57 1.02 -0.52 -1.51 120.64 116.86 2blj n GLU 18 Ca 0.12 0.34 0.12 0.00 -0.02 0.00 0.00 57.16 57.72 2blj n GLU 18 Cb 0.16 -1.50 0.48 0.00 -0.02 0.00 0.00 31.44 30.56 2blj n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2blj h ALA 19 N 2.30 1.00 -1.00 0.62 0.00 -1.30 -3.37 119.26 117.51 2blj h ALA 19 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 2blj h ALA 19 Cb 0.14 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 17.69 2blj h ALA 19 CO 0.00 0.20 -0.62 -3.47 0.00 0.00 0.00 179.25 175.36 2blj n ASP 20 N -3.28 -2.55 -0.12 0.00 2.03 -0.57 -5.02 116.55 107.04 2blj n ASP 20 Ca 0.01 -2.93 -0.09 0.00 0.52 0.00 0.00 54.79 52.29 2blj n ASP 20 Cb 0.42 1.23 -0.01 0.00 -0.72 0.00 0.00 41.12 42.04 2blj n ASP 20 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2blj h VAL 21 N 4.10 1.17 -0.51 5.18 3.04 -1.71 -2.49 116.25 125.03 2blj h VAL 21 Ca 0.03 -0.50 0.05 0.00 -1.01 0.00 0.00 66.70 65.27 2blj h VAL 21 Cb 1.04 0.82 -0.05 0.00 -2.01 0.00 0.00 31.29 31.09 2blj h VAL 21 CO 0.20 0.18 0.25 0.00 -1.01 0.00 0.00 177.57 177.19 2blj h ALA 22 N 1.02 0.65 -0.50 3.17 0.00 -1.91 0.56 119.26 122.26 2blj h ALA 22 Ca 0.13 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2blj h ALA 22 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2blj h ALA 22 CO -0.01 -0.10 0.18 0.78 0.00 0.00 0.00 179.25 180.09 2blj h GLY 23 N 0.49 0.82 1.18 0.00 0.00 -1.93 -2.03 103.07 101.60 2blj h GLY 23 Ca 0.23 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 2blj h GLY 23 CO -0.17 0.44 0.04 0.45 0.00 0.00 0.00 176.54 177.29 2blj h HIS 24 N 0.67 1.06 -0.40 5.60 3.86 -1.11 -2.73 115.15 122.09 2blj h HIS 24 Ca 0.16 -0.16 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 2blj h HIS 24 Cb 0.24 -0.29 -0.05 0.00 1.06 0.00 0.00 27.41 28.37 2blj h HIS 24 CO 0.01 0.93 0.11 0.78 0.86 0.00 0.00 177.93 180.62 2blj h GLY 25 N 1.01 0.50 0.97 2.45 0.00 -0.54 -1.93 103.07 105.53 2blj h GLY 25 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 2blj h GLY 25 CO 0.02 -0.01 0.15 1.46 0.00 0.00 0.00 176.54 178.16 2blj h GLN 26 N 0.26 0.33 -0.89 4.80 4.20 -1.19 -2.25 115.11 120.37 2blj h GLN 26 Ca 0.19 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.89 2blj h GLN 26 Cb 0.20 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 2blj h GLN 26 CO -0.22 0.27 0.59 -0.44 -0.67 0.00 0.00 178.83 178.35 2blj h ASP 27 N 0.30 1.00 -0.21 1.46 3.32 -1.26 -1.64 116.42 119.39 2blj h ASP 27 Ca 0.09 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2blj h ASP 27 Cb 0.02 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2blj h ASP 27 CO -0.02 0.71 0.06 0.40 -1.72 0.00 0.00 179.24 178.68 2blj h ILE 28 N 1.18 1.19 -0.15 0.35 2.04 -1.18 -1.09 117.51 119.84 2blj h ILE 28 Ca 0.34 -0.61 -0.14 0.00 1.00 0.00 0.00 64.86 65.45 2blj h ILE 28 Cb -0.09 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2blj h ILE 28 CO -0.09 0.19 -0.49 -0.50 0.00 0.00 0.00 178.15 177.27 2blj h TRP 29 N 0.17 0.49 -0.57 1.37 4.06 -1.21 -0.71 115.95 119.55 2blj h TRP 29 Ca 0.07 -0.16 -0.11 0.00 2.06 0.00 0.00 58.89 60.75 2blj h TRP 29 Cb 0.24 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.28 2blj h TRP 29 CO 0.00 0.81 -0.07 0.82 -3.56 0.00 0.00 178.44 176.44 2blj h ILE 30 N 0.32 1.27 -0.05 1.49 2.04 -1.27 0.34 117.51 121.65 2blj h ILE 30 Ca 0.02 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 2blj h ILE 30 Cb 0.97 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2blj h ILE 30 CO 0.08 0.44 0.03 -0.09 0.00 0.00 0.00 178.15 178.61 2blj h ARG 31 N 0.94 0.07 0.31 2.37 9.65 -0.98 -1.82 114.38 124.92 2blj h ARG 31 Ca 0.15 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 2blj h ARG 31 Cb 0.64 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 2blj h ARG 31 CO 0.04 0.11 -0.15 1.25 2.80 0.00 0.00 179.97 184.03 2blj h LEU 32 N 0.01 -0.35 -1.90 3.80 5.85 -0.99 -1.51 115.31 120.21 2blj h LEU 32 Ca 0.02 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2blj h LEU 32 Cb 0.06 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2blj h LEU 32 CO -0.00 -0.24 -0.12 -0.26 -0.34 0.00 0.00 178.44 177.48 2blj h PHE 33 N -0.44 0.00 0.15 1.25 0.04 -0.92 0.12 116.94 117.14 2blj h PHE 33 Ca -0.04 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.41 2blj h PHE 33 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 2blj h PHE 33 CO -0.05 0.12 -1.58 0.87 -0.60 0.00 0.00 178.31 177.07 2blj h LYS 34 N 0.00 0.32 0.01 1.51 1.79 -1.23 -2.95 116.57 116.02 2blj h LYS 34 Ca -0.00 -0.55 -0.19 0.00 -2.18 0.00 0.00 60.65 57.73 2blj h LYS 34 Cb 0.25 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 2blj h LYS 34 CO 0.02 1.21 -0.89 0.77 -1.08 0.00 0.00 179.45 179.48 2blj h SER 35 N 0.09 0.06 -2.13 0.86 0.02 -1.04 -3.39 113.55 108.03 2blj h SER 35 Ca -0.27 -0.05 -0.57 0.00 -0.84 0.00 0.00 61.79 60.06 2blj h SER 35 Cb 2.06 -0.02 -0.39 0.00 0.14 0.00 0.00 62.40 64.19 2blj h SER 35 CO 0.18 0.91 -1.06 1.41 -1.14 0.00 0.00 176.83 177.14 2blj n HIS 36 N -3.53 -0.47 0.03 3.45 8.25 0.38 -4.99 115.22 118.34 2blj n HIS 36 Ca -0.01 -3.49 0.22 0.00 -0.26 0.00 0.00 57.72 54.18 2blj n HIS 36 Cb 0.83 -0.15 0.67 0.00 1.12 0.00 0.00 29.99 32.46 2blj n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2blj h PRO 37 N 4.54 0.00 0.00 -0.41 0.11 -1.71 -1.25 132.00 133.29 2blj h PRO 37 Ca 0.14 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 2blj h PRO 37 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 2blj h PRO 37 CO 0.44 0.00 -0.25 1.05 -0.21 0.00 0.00 178.00 179.03 2blj h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.93 -2.65 114.58 120.14 2blj h GLU 38 Ca 0.26 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.62 2blj h GLU 38 Cb 1.52 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.62 2blj h GLU 38 CO -0.00 0.25 -0.21 1.79 0.05 0.00 0.00 179.01 180.89 2blj h THR 39 N 0.00 1.12 -0.09 -1.06 1.35 -1.58 -2.44 112.91 110.22 2blj h THR 39 Ca -0.00 -0.72 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 2blj h THR 39 Cb 0.45 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 2blj h THR 39 CO 0.03 0.20 -0.07 0.25 -0.25 0.00 0.00 175.52 175.69 2blj h LEU 40 N 0.00 0.11 -1.41 3.87 5.85 -1.64 -2.19 115.31 119.90 2blj h LEU 40 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2blj h LEU 40 Cb 0.37 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2blj h LEU 40 CO 0.03 0.21 0.00 -0.33 -0.34 0.00 0.00 178.44 178.00 2blj h GLU 41 N 0.12 0.00 0.00 1.25 4.39 -1.56 -1.75 114.58 117.03 2blj h GLU 41 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2blj h GLU 41 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2blj h GLU 41 CO 0.01 0.00 -0.13 1.63 -1.16 0.00 0.00 179.01 179.36 2blj n LYS 42 N -2.32 0.23 -3.52 2.33 4.76 -0.82 -4.56 118.16 114.26 2blj n LYS 42 Ca -0.01 0.16 -0.42 0.00 -2.87 0.00 0.00 58.31 55.17 2blj n LYS 42 Cb 0.07 -1.74 -0.07 0.00 -1.84 0.00 0.00 35.03 31.46 2blj n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2blj s PHE 43 N -3.10 3.51 0.07 2.13 0.40 -0.66 -4.90 117.98 115.43 2blj s PHE 43 Ca 0.10 -2.10 0.29 0.00 -0.60 0.00 0.00 56.93 54.63 2blj s PHE 43 Cb 0.13 -3.53 1.58 0.00 0.51 0.00 0.00 43.02 41.71 2blj s PHE 43 CO 0.61 -0.95 1.90 -0.44 0.70 0.00 0.00 175.22 177.04 2blj h ASP 44 N 7.91 0.00 1.25 1.36 3.32 -1.83 0.27 116.42 128.70 2blj h ASP 44 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2blj h ASP 44 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2blj h ASP 44 CO 0.80 0.00 -0.74 -0.09 -1.72 0.00 0.00 179.24 177.49 2blj h ARG 45 N 0.00 0.00 0.00 3.56 2.43 -1.94 -3.38 114.38 115.05 2blj h ARG 45 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2blj h ARG 45 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2blj h ARG 45 CO 0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 2blj n PHE 46 N -2.78 0.00 0.00 2.20 3.72 -0.17 -4.76 117.46 115.68 2blj n PHE 46 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2blj n PHE 46 Cb 0.54 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.09 2blj n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2blj n LYS 47 N -0.66 0.00 0.02 -1.08 2.85 0.79 -1.41 118.16 118.68 2blj n LYS 47 Ca 0.00 0.47 0.12 0.00 -1.05 0.00 0.00 58.31 57.85 2blj n LYS 47 Cb 0.01 -1.54 0.29 0.00 -0.65 0.00 0.00 35.03 33.13 2blj n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2blj n HIS 48 N -1.48 0.21 -2.18 5.58 1.44 -1.26 -4.85 115.22 112.68 2blj n HIS 48 Ca -0.00 0.06 -0.42 0.00 -2.01 0.00 0.00 57.72 55.35 2blj n HIS 48 Cb 0.03 -0.44 -0.03 0.00 0.12 0.00 0.00 29.99 29.67 2blj n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2blj s LEU 49 N -3.44 4.32 -0.20 2.39 1.43 -0.50 -4.92 118.68 117.77 2blj s LEU 49 Ca 0.10 2.16 0.15 0.00 -1.03 0.00 0.00 54.13 55.51 2blj s LEU 49 Cb 0.16 -3.56 -0.23 0.00 0.03 0.00 0.00 46.19 42.59 2blj s LEU 49 CO 0.68 -0.74 0.03 0.29 0.23 0.00 0.00 176.35 176.84 2blj n LYS 50 N 5.41 0.84 -4.46 1.70 5.02 -1.26 -5.01 118.16 120.39 2blj n LYS 50 Ca 0.13 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.21 2blj n LYS 50 Cb 0.43 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.84 2blj n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2blj s THR 51 N -2.47 1.49 0.32 -0.18 -4.23 -1.26 -5.02 115.64 104.30 2blj s THR 51 Ca -0.12 -2.05 0.04 0.00 -1.18 0.00 0.00 61.69 58.37 2blj s THR 51 Cb 0.06 -2.68 0.14 0.00 1.34 0.00 0.00 72.50 71.36 2blj s THR 51 CO 0.76 -0.13 1.84 -0.08 -0.54 0.00 0.00 174.62 176.47 2blj h GLU 52 N 2.14 0.53 -0.79 3.99 4.81 -1.99 -2.12 114.58 121.15 2blj h GLU 52 Ca -0.41 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 2blj h GLU 52 Cb 1.24 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 2blj h GLU 52 CO 0.70 0.60 0.34 0.00 -0.73 0.00 0.00 179.01 179.92 2blj h ALA 53 N 1.45 1.12 -0.11 2.92 0.00 -1.99 -0.53 119.26 122.12 2blj h ALA 53 Ca 0.10 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2blj h ALA 53 Cb 0.40 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2blj h ALA 53 CO 0.02 0.64 -0.61 0.93 0.00 0.00 0.00 179.25 180.23 2blj h GLU 54 N 1.13 0.38 -0.33 0.00 5.08 -1.85 -2.69 114.58 116.31 2blj h GLU 54 Ca 0.27 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2blj h GLU 54 Cb 0.17 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2blj h GLU 54 CO -0.03 0.88 -0.03 0.52 -1.00 0.00 0.00 179.01 179.35 2blj h MET 55 N 0.28 0.60 0.00 2.33 2.86 -0.99 -2.34 114.93 117.67 2blj h MET 55 Ca -0.01 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 2blj h MET 55 Cb 1.15 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 2blj h MET 55 CO 0.10 0.75 -0.07 -0.22 1.06 0.00 0.00 176.91 178.54 2blj h LYS 56 N 0.40 0.00 0.00 1.72 3.64 -1.08 -2.77 116.57 118.48 2blj h LYS 56 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2blj h LYS 56 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2blj h LYS 56 CO 0.02 0.07 -0.69 0.00 -2.27 0.00 0.00 179.45 176.59 2blj n ALA 57 N -2.15 3.53 -2.33 5.00 0.00 -1.02 -4.88 120.51 118.66 2blj n ALA 57 Ca -0.00 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 2blj n ALA 57 Cb 0.31 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 2blj n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2blj s SER 58 N -3.40 6.66 0.17 0.00 0.15 -0.90 -4.90 113.70 111.47 2blj s SER 58 Ca 0.08 1.45 -0.07 0.00 0.70 0.00 0.00 55.95 58.11 2blj s SER 58 Cb 0.16 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.99 2blj s SER 58 CO 0.74 -1.05 1.51 -0.08 1.20 0.00 0.00 173.24 175.56 2blj h GLU 59 N 9.42 0.75 -0.62 5.44 4.57 -1.90 -2.69 114.58 129.56 2blj h GLU 59 Ca -0.29 -0.42 -0.03 0.00 -1.18 0.00 0.00 59.36 57.45 2blj h GLU 59 Cb 1.12 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.70 2blj h GLU 59 CO 1.01 1.04 0.26 -0.44 -1.18 0.00 0.00 179.01 179.70 2blj h ASP 60 N 0.61 0.86 -0.54 1.04 3.32 -1.97 -1.42 116.42 118.31 2blj h ASP 60 Ca 0.04 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 2blj h ASP 60 Cb 1.00 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 2blj h ASP 60 CO 0.10 0.79 0.13 0.25 -1.72 0.00 0.00 179.24 178.78 2blj h LEU 61 N 0.87 0.86 -0.16 1.55 5.85 -1.89 -1.16 115.31 121.23 2blj h LEU 61 Ca 0.21 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2blj h LEU 61 Cb 0.19 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2blj h LEU 61 CO -0.02 0.85 0.07 0.50 -0.34 0.00 0.00 178.44 179.51 2blj h LYS 62 N 0.88 0.24 -0.88 1.25 3.64 -1.12 -1.41 116.57 119.17 2blj h LYS 62 Ca 0.19 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2blj h LYS 62 Cb 0.34 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 2blj h LYS 62 CO 0.00 0.30 0.58 0.87 -2.27 0.00 0.00 179.45 178.93 2blj h LYS 63 N 0.12 1.12 -0.49 1.90 1.57 -1.02 -2.31 116.57 117.47 2blj h LYS 63 Ca 0.06 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2blj h LYS 63 Cb 0.15 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2blj h LYS 63 CO -0.01 0.74 -0.01 1.25 -0.57 0.00 0.00 179.45 180.86 2blj h HIS 64 N 1.16 0.88 -0.90 -1.35 2.76 -0.98 -2.45 115.15 114.27 2blj h HIS 64 Ca 0.33 -0.13 0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2blj h HIS 64 Cb -0.09 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.59 2blj h HIS 64 CO -0.01 0.81 0.58 0.78 -1.30 0.00 0.00 177.93 178.78 2blj h GLY 65 N 0.98 1.27 1.01 5.26 0.00 -0.71 -1.30 103.07 109.58 2blj h GLY 65 Ca 0.15 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 2blj h GLY 65 CO 0.02 0.48 0.11 -2.08 0.00 0.00 0.00 176.54 175.07 2blj h VAL 66 N 1.22 1.25 -0.44 4.60 2.07 -1.11 -1.33 116.25 122.52 2blj h VAL 66 Ca 0.33 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 2blj h VAL 66 Cb -0.12 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2blj h VAL 66 CO -0.07 0.34 0.22 0.74 0.02 0.00 0.00 177.57 178.82 2blj h THR 67 N 0.82 1.18 -0.08 2.57 2.02 -0.96 -1.19 112.91 117.26 2blj h THR 67 Ca 0.17 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 2blj h THR 67 Cb 0.38 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2blj h THR 67 CO 0.01 0.19 0.02 0.58 0.37 0.00 0.00 175.52 176.69 2blj h VAL 68 N 0.57 1.19 0.00 3.16 2.07 -1.13 -2.09 116.25 120.02 2blj h VAL 68 Ca 0.15 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 2blj h VAL 68 Cb 0.11 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2blj h VAL 68 CO -0.02 0.16 -0.43 -0.07 0.02 0.00 0.00 177.57 177.23 2blj h LEU 69 N -0.07 0.00 -0.42 2.57 3.38 -1.21 -1.40 115.31 118.16 2blj h LEU 69 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2blj h LEU 69 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2blj h LEU 69 CO 0.00 0.43 -0.24 0.74 0.09 0.00 0.00 178.44 179.46 2blj h THR 70 N 0.00 1.28 -0.48 0.22 2.02 -1.13 0.12 112.91 114.94 2blj h THR 70 Ca -0.00 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 65.72 2blj h THR 70 Cb 0.80 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 2blj h THR 70 CO 0.06 0.47 0.09 0.00 0.37 0.00 0.00 175.52 176.50 2blj h ALA 71 N 0.82 0.63 -0.57 6.16 0.00 -1.11 -1.41 119.26 123.78 2blj h ALA 71 Ca 0.09 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2blj h ALA 71 Cb 0.82 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2blj h ALA 71 CO 0.07 0.35 -0.06 1.25 0.00 0.00 0.00 179.25 180.86 2blj h LEU 72 N 0.66 1.04 -1.17 0.00 5.85 -1.15 -2.61 115.31 117.93 2blj h LEU 72 Ca 0.15 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 2blj h LEU 72 Cb 0.38 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2blj h LEU 72 CO 0.01 1.12 0.29 1.23 -0.34 0.00 0.00 178.44 180.75 2blj h GLY 73 N 0.93 0.94 1.33 3.75 0.00 -0.57 -1.22 103.07 108.23 2blj h GLY 73 Ca 0.15 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 2blj h GLY 73 CO 0.04 0.42 0.07 0.00 0.00 0.00 0.00 176.54 177.08 2blj h ALA 74 N 1.45 1.15 -0.18 3.60 0.00 -0.96 -2.00 119.26 122.32 2blj h ALA 74 Ca 0.22 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2blj h ALA 74 Cb 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2blj h ALA 74 CO -0.03 0.56 -0.16 0.82 0.00 0.00 0.00 179.25 180.44 2blj h ILE 75 N 0.79 1.33 -0.66 0.00 2.04 -1.01 -3.19 117.51 116.80 2blj h ILE 75 Ca 0.16 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 2blj h ILE 75 Cb 0.37 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 2blj h ILE 75 CO 0.01 0.39 0.31 -0.07 0.00 0.00 0.00 178.15 178.79 2blj h LEU 76 N 0.09 0.84 -1.30 1.44 3.38 -1.11 -1.97 115.31 116.69 2blj h LEU 76 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2blj h LEU 76 Cb 0.69 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2blj h LEU 76 CO 0.04 0.72 0.00 0.11 0.09 0.00 0.00 178.44 179.40 2blj h LYS 77 N 0.93 0.00 0.00 1.13 1.57 -1.36 -1.76 116.57 117.07 2blj h LYS 77 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2blj h LYS 77 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2blj h LYS 77 CO -0.03 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.48 2blj n LYS 78 N -2.49 0.05 -3.91 3.15 4.76 -0.74 -4.95 118.16 114.03 2blj n LYS 78 Ca 0.00 0.05 -0.25 0.00 -2.87 0.00 0.00 58.31 55.25 2blj n LYS 78 Cb 0.17 -1.56 -0.01 0.00 -1.84 0.00 0.00 35.03 31.79 2blj n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2blj n LYS 79 N -1.65 -3.60 0.00 1.97 5.02 -0.66 -2.09 118.16 117.13 2blj n LYS 79 Ca 0.07 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 2blj n LYS 79 Cb 0.35 -4.66 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 2blj n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2blj n GLY 80 N -1.90 2.15 2.78 0.72 0.00 -1.26 -4.96 105.19 102.72 2blj n GLY 80 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2blj n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2blj n HIS 81 N -2.00 2.58 -1.06 1.61 8.25 -0.89 -4.73 115.22 118.98 2blj n HIS 81 Ca 0.00 -2.59 0.09 0.00 -0.26 0.00 0.00 57.72 54.95 2blj n HIS 81 Cb 0.00 -1.20 0.20 0.00 1.12 0.00 0.00 29.99 30.11 2blj n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2blj n HIS 82 N 0.46 0.51 -0.10 4.41 1.44 -1.26 -4.79 115.22 115.89 2blj n HIS 82 Ca 0.39 -0.97 -0.09 0.00 -2.01 0.00 0.00 57.72 55.04 2blj n HIS 82 Cb 0.29 -0.25 -0.03 0.00 0.12 0.00 0.00 29.99 30.13 2blj n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2blj h GLU 83 N 0.95 -0.29 -0.97 -1.40 3.07 -2.00 -1.00 114.58 112.93 2blj h GLU 83 Ca 0.01 0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.94 2blj h GLU 83 Cb 1.25 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 29.16 2blj h GLU 83 CO 0.12 -0.19 0.63 0.00 -1.40 0.00 0.00 179.01 178.17 2blj h ALA 84 N 0.62 1.32 -0.05 3.43 0.00 -2.01 -2.51 119.26 120.06 2blj h ALA 84 Ca 0.15 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2blj h ALA 84 Cb 0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2blj h ALA 84 CO -0.52 0.46 -0.58 0.93 0.00 0.00 0.00 179.25 179.54 2blj h GLU 85 N 1.18 0.15 0.00 0.00 3.07 -1.75 -3.29 114.58 113.93 2blj h GLU 85 Ca 0.41 -0.10 -0.11 0.00 -0.50 0.00 0.00 59.36 59.06 2blj h GLU 85 Cb 0.09 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2blj h GLU 85 CO -0.15 0.69 -0.53 -0.07 -1.40 0.00 0.00 179.01 177.55 2blj h LEU 86 N 0.11 0.00 0.20 1.33 3.38 -0.76 -3.35 115.31 116.21 2blj h LEU 86 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2blj h LEU 86 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2blj h LEU 86 CO 0.08 0.53 -0.16 0.11 0.09 0.00 0.00 178.44 179.09 2blj h LYS 87 N 0.00 -0.36 -0.18 1.13 1.57 -1.58 0.74 116.57 117.90 2blj h LYS 87 Ca -0.01 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 2blj h LYS 87 Cb 1.26 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 2blj h LYS 87 CO 0.07 -0.24 -0.33 -1.00 -0.57 0.00 0.00 179.45 177.38 2blj h PRO 88 N -0.37 0.36 -0.35 3.15 0.13 -1.77 -1.53 132.00 131.61 2blj h PRO 88 Ca -0.01 -0.15 -0.05 0.00 -0.87 0.00 0.00 66.00 64.91 2blj h PRO 88 Cb 0.33 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 2blj h PRO 88 CO -0.01 0.66 0.00 1.25 -0.23 0.00 0.00 178.00 179.67 2blj h LEU 89 N 0.31 0.60 -0.57 1.56 5.85 -1.66 -2.12 115.31 119.29 2blj h LEU 89 Ca 0.04 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 2blj h LEU 89 Cb 0.74 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2blj h LEU 89 CO 0.06 0.76 0.09 0.00 -0.34 0.00 0.00 178.44 179.01 2blj h ALA 90 N 0.86 0.76 -0.24 1.25 0.00 -0.73 -2.32 119.26 118.83 2blj h ALA 90 Ca 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2blj h ALA 90 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2blj h ALA 90 CO 0.02 0.51 0.08 0.37 0.00 0.00 0.00 179.25 180.22 2blj h GLN 91 N 0.84 0.37 -0.50 0.00 4.15 -1.17 -1.37 115.11 117.44 2blj h GLN 91 Ca 0.17 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 2blj h GLN 91 Cb 0.42 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 2blj h GLN 91 CO 0.01 0.44 0.04 0.66 -1.93 0.00 0.00 178.83 178.06 2blj h SER 92 N 0.23 0.83 1.16 -0.69 4.64 -1.37 -0.34 113.55 118.00 2blj h SER 92 Ca 0.08 -0.28 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 2blj h SER 92 Cb 0.22 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2blj h SER 92 CO -0.00 0.90 -0.26 0.45 -0.87 0.00 0.00 176.83 177.05 2blj h HIS 93 N 0.72 0.00 0.08 4.77 3.86 -1.40 0.27 115.15 123.46 2blj h HIS 93 Ca 0.15 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.04 2blj h HIS 93 Cb 0.45 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2blj h HIS 93 CO 0.03 0.26 -1.72 0.00 0.86 0.00 0.00 177.93 177.37 2blj h ALA 94 N 1.74 0.36 0.10 2.45 0.00 -1.18 0.27 119.26 123.00 2blj h ALA 94 Ca -0.00 -1.32 -0.29 0.00 0.00 0.00 0.00 54.91 53.29 2blj h ALA 94 Cb 0.91 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2blj h ALA 94 CO 0.03 1.08 -1.56 1.15 0.00 0.00 0.00 179.25 179.95 2blj h THR 95 N -0.32 0.89 0.00 0.00 2.02 -1.14 -3.34 112.91 111.02 2blj h THR 95 Ca -0.39 -2.34 -0.17 0.00 0.77 0.00 0.00 66.41 64.27 2blj h THR 95 Cb 1.77 2.56 -0.03 0.00 -1.74 0.00 0.00 68.15 70.71 2blj h THR 95 CO -0.02 0.69 -1.20 1.17 0.37 0.00 0.00 175.52 176.53 2blj n LYS 96 N -3.89 0.53 0.08 6.66 4.81 -0.43 -4.61 118.16 121.30 2blj n LYS 96 Ca -0.28 0.47 -0.03 0.00 -0.87 0.00 0.00 58.31 57.60 2blj n LYS 96 Cb 0.90 -1.65 -0.06 0.00 0.02 0.00 0.00 35.03 34.24 2blj n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2blj h HIS 97 N -1.00 0.00 -5.65 5.64 3.86 -1.17 -3.49 115.15 113.34 2blj h HIS 97 Ca -0.26 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.74 2blj h HIS 97 Cb 1.07 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.63 2blj h HIS 97 CO -0.09 0.76 -0.58 1.63 0.86 0.00 0.00 177.93 180.50 2blj n LYS 98 N -3.22 -1.68 -3.56 2.45 5.02 -0.06 -4.99 118.16 112.13 2blj n LYS 98 Ca -0.02 1.01 -0.40 0.00 -2.02 0.00 0.00 58.31 56.88 2blj n LYS 98 Cb 0.86 -5.26 -0.11 0.00 -0.02 0.00 0.00 35.03 30.50 2blj n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2blj s ILE 99 N -3.24 4.97 0.66 -0.18 -1.09 0.74 -5.01 121.20 118.06 2blj s ILE 99 Ca 0.27 -0.49 -0.16 0.00 -2.23 0.00 0.00 60.65 58.04 2blj s ILE 99 Cb -0.05 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 2blj s ILE 99 CO 0.78 -0.10 1.15 -2.16 -1.23 0.00 0.00 174.94 173.37 2blj s PRO 100 N 1.65 2.70 0.54 2.79 0.04 -1.26 -4.81 135.00 136.65 2blj s PRO 100 Ca 0.05 1.55 0.24 0.00 0.04 0.00 0.00 61.00 62.88 2blj s PRO 100 Cb -0.18 -1.92 1.41 0.00 0.04 0.00 0.00 34.50 33.85 2blj s PRO 100 CO 0.09 -1.36 2.05 0.82 0.04 0.00 0.00 177.00 178.63 2blj h ILE 101 N 0.15 0.74 -0.85 0.56 1.08 -1.91 -1.27 117.51 116.01 2blj h ILE 101 Ca -0.48 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.04 2blj h ILE 101 Cb 1.27 0.81 -0.05 0.00 -3.07 0.00 0.00 36.82 35.78 2blj h ILE 101 CO 0.53 0.00 0.56 0.50 -0.69 0.00 0.00 178.15 179.05 2blj h LYS 102 N 0.00 0.98 0.00 2.37 3.64 -1.92 -1.22 116.57 120.43 2blj h LYS 102 Ca 0.16 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 2blj h LYS 102 Cb 0.69 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2blj h LYS 102 CO -0.00 0.65 -0.47 1.88 -2.27 0.00 0.00 179.45 179.23 2blj h TYR 103 N 1.01 0.00 0.00 1.91 -1.99 -1.59 -1.93 116.97 114.39 2blj h TYR 103 Ca 0.35 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.00 2blj h TYR 103 Cb 0.10 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 2blj h TYR 103 CO -0.00 0.47 -0.38 -0.07 -0.00 0.00 0.00 178.16 178.18 2blj h LEU 104 N 0.00 0.00 -0.18 3.88 3.38 -1.26 -1.85 115.31 119.29 2blj h LEU 104 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2blj h LEU 104 Cb 0.92 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.68 2blj h LEU 104 CO 0.06 0.38 -0.74 -0.33 0.09 0.00 0.00 178.44 177.91 2blj h GLU 105 N 0.00 0.81 -0.42 1.13 5.08 -0.75 -2.52 114.58 117.92 2blj h GLU 105 Ca -0.00 -0.64 -0.02 0.00 -1.00 0.00 0.00 59.36 57.70 2blj h GLU 105 Cb 0.93 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2blj h GLU 105 CO 0.05 1.25 0.18 0.74 -1.00 0.00 0.00 179.01 180.22 2blj h PHE 106 N 0.56 0.62 0.00 4.33 0.04 -1.03 -1.87 116.94 119.59 2blj h PHE 106 Ca -0.04 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.63 2blj h PHE 106 Cb 1.36 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 2blj h PHE 106 CO 0.09 0.54 -0.29 0.97 -0.60 0.00 0.00 178.31 179.01 2blj h ILE 107 N 0.53 0.77 -0.45 -0.55 2.10 -1.38 -2.07 117.51 116.47 2blj h ILE 107 Ca 0.14 -1.21 -0.09 0.00 1.08 0.00 0.00 64.86 64.78 2blj h ILE 107 Cb 0.17 1.76 -0.01 0.00 -1.09 0.00 0.00 36.82 37.64 2blj h ILE 107 CO -0.01 0.28 -0.06 0.28 -1.08 0.00 0.00 178.15 177.56 2blj h SER 108 N 0.00 0.83 -0.62 2.19 0.02 -1.07 -1.41 113.55 113.49 2blj h SER 108 Ca -0.00 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.56 2blj h SER 108 Cb 0.73 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 2blj h SER 108 CO 0.04 0.97 0.21 -0.08 -1.14 0.00 0.00 176.83 176.84 2blj h GLU 109 N 0.67 0.99 -0.61 3.45 4.81 -0.98 -2.31 114.58 120.60 2blj h GLU 109 Ca 0.12 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 2blj h GLU 109 Cb 0.59 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2blj h GLU 109 CO 0.04 0.84 0.01 0.00 -0.73 0.00 0.00 179.01 179.17 2blj h ALA 110 N 1.27 0.87 -0.27 2.92 0.00 -1.06 -1.99 119.26 121.01 2blj h ALA 110 Ca 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2blj h ALA 110 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2blj h ALA 110 CO -0.01 0.66 0.09 0.82 0.00 0.00 0.00 179.25 180.81 2blj h ILE 111 N 0.97 1.19 -0.86 0.00 2.04 -0.99 -1.81 117.51 118.04 2blj h ILE 111 Ca 0.18 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 2blj h ILE 111 Cb 0.54 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 2blj h ILE 111 CO 0.03 0.20 0.43 0.40 0.00 0.00 0.00 178.15 179.21 2blj h ILE 112 N 0.27 1.26 -0.34 -0.67 2.04 -1.35 -1.56 117.51 117.17 2blj h ILE 112 Ca 0.09 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 2blj h ILE 112 Cb 0.23 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2blj h ILE 112 CO -0.00 0.30 0.04 -0.74 0.00 0.00 0.00 178.15 177.75 2blj h HIS 113 N 1.22 0.61 -0.58 1.37 2.76 -1.22 -1.31 115.15 117.99 2blj h HIS 113 Ca 0.30 -0.09 -0.08 0.00 -2.20 0.00 0.00 60.37 58.30 2blj h HIS 113 Cb 0.08 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 2blj h HIS 113 CO 0.01 0.65 0.06 0.28 -1.30 0.00 0.00 177.93 177.63 2blj h VAL 114 N 0.39 1.26 -0.57 5.26 2.07 -1.12 -2.02 116.25 121.53 2blj h VAL 114 Ca 0.10 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 2blj h VAL 114 Cb 0.38 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2blj h VAL 114 CO 0.01 0.38 0.03 -0.07 0.02 0.00 0.00 177.57 177.93 2blj h LEU 115 N 0.87 0.92 -0.76 2.57 3.38 -1.22 -0.95 115.31 120.13 2blj h LEU 115 Ca 0.17 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2blj h LEU 115 Cb 0.46 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2blj h LEU 115 CO 0.02 0.97 0.30 -0.74 0.09 0.00 0.00 178.44 179.07 2blj h HIS 116 N 0.89 1.16 -0.23 1.13 2.76 -1.05 -0.07 115.15 119.72 2blj h HIS 116 Ca 0.17 -0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 58.13 2blj h HIS 116 Cb 0.48 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 29.10 2blj h HIS 116 CO 0.03 0.88 -0.31 0.77 -1.30 0.00 0.00 177.93 178.01 2blj h SER 117 N 1.09 0.67 1.02 3.26 0.02 -1.03 -3.23 113.55 115.37 2blj h SER 117 Ca 0.25 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 2blj h SER 117 Cb 0.22 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2blj h SER 117 CO -0.02 1.04 -0.99 0.03 -1.14 0.00 0.00 176.83 175.75 2blj h ARG 118 N 0.32 0.00 -1.08 3.45 3.08 -1.16 -3.41 114.38 115.58 2blj h ARG 118 Ca 0.03 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.66 2blj h ARG 118 Cb 0.88 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.53 2blj h ARG 118 CO 0.07 0.05 -1.07 0.72 -1.07 0.00 0.00 179.97 178.68 2blj n HIS 119 N -2.75 1.77 -0.30 3.04 8.25 -0.05 -4.92 115.22 120.27 2blj n HIS 119 Ca -0.01 -2.81 0.18 0.00 -0.26 0.00 0.00 57.72 54.82 2blj n HIS 119 Cb 0.60 -0.29 0.46 0.00 1.12 0.00 0.00 29.99 31.87 2blj n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2blj h PRO 120 N 2.84 0.49 0.00 -0.41 0.13 -1.71 0.32 132.00 133.67 2blj h PRO 120 Ca 0.01 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 2blj h PRO 120 Cb 1.13 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2blj h PRO 120 CO 0.57 0.32 -0.10 0.78 -0.23 0.00 0.00 178.00 179.35 2blj h GLY 121 N 0.50 0.00 -0.20 1.56 0.00 -1.91 -2.90 103.07 100.12 2blj h GLY 121 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2blj h GLY 121 CO -0.26 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.98 2blj n ASN 122 N -3.31 2.50 -3.14 0.19 3.02 -0.02 -4.75 115.26 109.75 2blj n ASN 122 Ca -0.00 -2.97 -0.17 0.00 -0.03 0.00 0.00 54.58 51.41 2blj n ASN 122 Cb 0.31 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 2blj n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2blj n PHE 123 N -1.22 -0.17 -1.36 3.10 7.35 -0.45 -4.66 117.46 120.04 2blj n PHE 123 Ca 0.15 -3.62 -0.13 0.00 -0.76 0.00 0.00 57.45 53.09 2blj n PHE 123 Cb 0.63 -0.18 0.09 0.00 0.35 0.00 0.00 39.48 40.37 2blj n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2blj n GLY 124 N 0.29 -1.38 0.24 7.13 0.00 -1.25 -4.65 105.19 105.57 2blj n GLY 124 Ca 0.23 -1.67 0.01 0.00 0.00 0.00 0.00 46.02 44.58 2blj n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2blj h ALA 125 N -1.94 0.85 -0.65 4.61 0.00 -1.99 -0.52 119.26 119.62 2blj h ALA 125 Ca -0.19 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2blj h ALA 125 Cb 0.53 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2blj h ALA 125 CO 0.13 -0.16 0.12 -0.44 0.00 0.00 0.00 179.25 178.90 2blj h ASP 126 N 0.45 1.02 -0.45 0.00 3.32 -1.99 -0.79 116.42 117.98 2blj h ASP 126 Ca 0.32 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 2blj h ASP 126 Cb 0.39 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2blj h ASP 126 CO -0.31 1.02 -0.20 0.00 -1.72 0.00 0.00 179.24 178.03 2blj h ALA 127 N 1.05 0.74 -0.51 3.45 0.00 -1.77 -1.86 119.26 120.35 2blj h ALA 127 Ca 0.20 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2blj h ALA 127 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2blj h ALA 127 CO 0.01 0.67 -0.00 0.37 0.00 0.00 0.00 179.25 180.30 2blj h GLN 128 N 0.83 0.86 -0.81 0.00 4.15 -0.92 -0.82 115.11 118.41 2blj h GLN 128 Ca 0.11 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 2blj h GLN 128 Cb 0.77 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 2blj h GLN 128 CO 0.06 0.86 0.35 0.78 -1.93 0.00 0.00 178.83 178.96 2blj h GLY 129 N 0.99 1.27 0.99 2.39 0.00 -0.90 0.14 103.07 107.95 2blj h GLY 129 Ca 0.15 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 2blj h GLY 129 CO 0.02 0.63 -0.01 0.00 0.00 0.00 0.00 176.54 177.18 2blj h ALA 130 N 1.19 0.62 -0.47 3.60 0.00 -0.87 -1.78 119.26 121.55 2blj h ALA 130 Ca 0.27 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2blj h ALA 130 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2blj h ALA 130 CO -0.03 0.43 -0.16 1.98 0.00 0.00 0.00 179.25 181.47 2blj h MET 131 N 0.67 0.91 -0.76 0.00 -1.53 -0.89 -1.00 114.93 112.33 2blj h MET 131 Ca 0.13 -0.35 -0.05 0.00 -3.44 0.00 0.00 59.70 55.99 2blj h MET 131 Cb 0.52 -0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.48 2blj h MET 131 CO 0.03 1.00 0.28 -0.97 0.14 0.00 0.00 176.91 177.38 2blj h ASN 132 N 0.80 1.07 -0.65 1.39 -1.24 -0.87 -1.12 115.58 114.97 2blj h ASN 132 Ca 0.12 -0.19 -0.07 0.00 0.71 0.00 0.00 56.30 56.87 2blj h ASN 132 Cb 0.70 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.45 2blj h ASN 132 CO 0.05 0.97 0.14 0.50 -1.29 0.00 0.00 177.43 177.81 2blj h LYS 133 N 1.11 1.05 -0.52 6.67 3.64 -1.02 0.23 116.57 127.74 2blj h LYS 133 Ca 0.25 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2blj h LYS 133 Cb 0.26 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2blj h LYS 133 CO -0.02 0.95 -0.04 0.00 -2.27 0.00 0.00 179.45 178.08 2blj h ALA 134 N 1.05 0.95 -0.01 5.00 0.00 -0.86 -0.97 119.26 124.42 2blj h ALA 134 Ca 0.20 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2blj h ALA 134 Cb 0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2blj h ALA 134 CO 0.01 0.63 -0.74 -0.07 0.00 0.00 0.00 179.25 179.07 2blj h LEU 135 N 0.83 0.14 -0.59 0.00 3.38 -0.96 -2.10 115.31 116.01 2blj h LEU 135 Ca 0.15 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2blj h LEU 135 Cb 0.55 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2blj h LEU 135 CO 0.03 0.83 -0.43 -0.33 0.09 0.00 0.00 178.44 178.63 2blj h GLU 136 N 0.07 0.63 -0.22 1.13 5.08 -0.71 -1.11 114.58 119.46 2blj h GLU 136 Ca -0.02 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2blj h GLU 136 Cb 1.30 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 2blj h GLU 136 CO 0.11 0.94 0.12 1.25 -1.00 0.00 0.00 179.01 180.43 2blj h LEU 137 N 0.52 0.28 -0.12 1.33 5.85 -1.05 0.44 115.31 122.56 2blj h LEU 137 Ca 0.04 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2blj h LEU 137 Cb 0.96 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 2blj h LEU 137 CO 0.09 0.29 -0.12 0.15 -0.34 0.00 0.00 178.44 178.50 2blj h PHE 138 N 0.25 -0.31 -0.74 1.25 3.57 -1.21 -1.47 116.94 118.28 2blj h PHE 138 Ca 0.08 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2blj h PHE 138 Cb 0.07 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 2blj h PHE 138 CO -0.04 -0.19 0.29 0.00 -2.23 0.00 0.00 178.31 176.15 2blj h ARG 139 N -0.15 1.10 -0.55 1.11 3.08 -0.99 -0.87 114.38 117.11 2blj h ARG 139 Ca 0.08 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2blj h ARG 139 Cb 0.28 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2blj h ARG 139 CO -0.21 0.89 0.21 -0.22 -1.07 0.00 0.00 179.97 179.57 2blj h LYS 140 N 1.07 0.83 -0.26 0.04 3.64 -0.59 -0.53 116.57 120.77 2blj h LYS 140 Ca 0.25 -0.16 -0.17 0.00 -1.27 0.00 0.00 60.65 59.30 2blj h LYS 140 Cb 0.21 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2blj h LYS 140 CO -0.02 0.73 -0.52 -0.44 -2.27 0.00 0.00 179.45 176.94 2blj h ASP 141 N 0.75 0.81 -0.58 4.20 3.32 -1.06 -2.24 116.42 121.62 2blj h ASP 141 Ca 0.18 -0.42 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 2blj h ASP 141 Cb 0.22 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2blj h ASP 141 CO -0.01 1.18 0.05 0.40 -1.72 0.00 0.00 179.24 179.13 2blj h ILE 142 N 0.57 1.26 -0.74 0.35 1.08 -1.04 -2.39 117.51 116.60 2blj h ILE 142 Ca 0.02 -1.07 -0.02 0.00 -0.39 0.00 0.00 64.86 63.40 2blj h ILE 142 Cb 1.09 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.55 2blj h ILE 142 CO 0.11 0.39 0.38 0.00 -0.69 0.00 0.00 178.15 178.34 2blj h ALA 143 N 1.09 0.95 -0.72 1.87 0.00 -0.95 -0.40 119.26 121.11 2blj h ALA 143 Ca 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2blj h ALA 143 Cb 0.48 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2blj h ALA 143 CO 0.02 0.49 0.29 0.00 0.00 0.00 0.00 179.25 180.05 2blj h ALA 144 N 1.19 1.16 -0.42 0.00 0.00 -1.16 -2.33 119.26 117.69 2blj h ALA 144 Ca 0.26 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2blj h ALA 144 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2blj h ALA 144 CO -0.04 0.61 -0.20 0.87 0.00 0.00 0.00 179.25 180.49 2blj h LYS 145 N 1.04 0.89 -0.46 0.00 6.56 -0.96 -2.69 116.57 120.95 2blj h LYS 145 Ca 0.24 -0.39 0.09 0.00 -1.06 0.00 0.00 60.65 59.53 2blj h LYS 145 Cb 0.19 -0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 31.75 2blj h LYS 145 CO -0.02 1.03 -0.02 1.88 -2.06 0.00 0.00 179.45 180.26 2blj h TYR 146 N 0.71 -0.07 -0.11 -1.35 -1.99 -0.70 -0.24 116.97 113.23 2blj h TYR 146 Ca 0.09 0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.88 2blj h TYR 146 Cb 0.77 0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 2blj h TYR 146 CO 0.06 -0.12 0.00 -0.22 -0.00 0.00 0.00 178.16 177.88 2blj h LYS 147 N 0.09 0.04 -0.13 4.88 3.64 -1.32 -0.34 116.57 123.44 2blj h LYS 147 Ca 0.23 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2blj h LYS 147 Cb 0.34 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2blj h LYS 147 CO -0.40 0.03 0.09 0.93 -2.27 0.00 0.00 179.45 177.82 2blj h GLU 148 N 0.04 0.12 -0.00 1.90 5.08 -1.02 -1.55 114.58 119.15 2blj h GLU 148 Ca 0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2blj h GLU 148 Cb 0.05 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2blj h GLU 148 CO -0.08 0.08 -0.17 1.28 -1.00 0.00 0.00 179.01 179.12 2blj n LEU 149 N -4.52 0.44 0.00 1.33 4.77 -0.17 -4.93 117.00 113.92 2blj n LEU 149 Ca -0.01 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2blj n LEU 149 Cb 0.12 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2blj n LEU 149 CO 0.34 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2blj n GLY 150 N 1.36 0.83 3.28 -0.72 0.00 -0.58 -5.03 105.19 104.32 2blj n GLY 150 Ca 0.12 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2blj n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2blj s TYR 151 N -2.00 2.74 0.09 1.61 5.04 -0.21 -5.01 117.35 119.61 2blj s TYR 151 Ca 0.00 -0.97 -0.19 0.00 -2.44 0.00 0.00 57.07 53.47 2blj s TYR 151 Cb 0.00 -1.84 -0.08 0.00 0.35 0.00 0.00 41.96 40.38 2blj s TYR 151 CO 0.00 -0.41 1.57 0.37 -1.34 0.00 0.00 175.55 175.74 2blj h GLN 152 N 7.06 0.37 0.00 4.97 4.15 -1.93 -3.19 115.11 126.53 2blj h GLN 152 Ca -0.28 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.04 2blj h GLN 152 Cb 1.20 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2blj h GLN 152 CO 0.55 0.49 0.00 0.41 -1.93 0.00 0.00 178.83 178.34