#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ofj s VAL 1 N 0.00 0.19 0.19 3.17 1.01 -1.26 -5.05 120.40 118.65 1ofj s VAL 1 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1ofj s VAL 1 Cb 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 36.38 36.04 1ofj s VAL 1 CO 0.00 0.14 0.53 -0.76 0.00 0.00 0.00 175.10 175.00 1ofj s LEU 2 N 0.92 4.23 0.73 3.92 1.02 -1.26 -5.08 118.68 123.16 1ofj s LEU 2 Ca -0.09 0.93 -0.11 0.00 0.02 0.00 0.00 54.13 54.87 1ofj s LEU 2 Cb -0.13 -3.50 0.03 0.00 0.02 0.00 0.00 46.19 42.62 1ofj s LEU 2 CO -0.02 -0.00 1.11 -0.94 0.02 0.00 0.00 176.35 176.53 1ofj s SER 3 N -2.16 5.16 0.37 2.29 1.04 -1.26 -4.90 113.70 114.23 1ofj s SER 3 Ca 0.43 1.00 0.06 0.00 0.48 0.00 0.00 55.95 57.92 1ofj s SER 3 Cb -0.12 -1.71 0.70 0.00 0.10 0.00 0.00 66.02 64.99 1ofj s SER 3 CO 0.21 -1.50 1.92 -0.08 0.98 0.00 0.00 173.24 174.77 1ofj h GLU 4 N -0.76 0.45 -0.74 4.02 4.57 -1.99 -1.96 114.58 118.18 1ofj h GLU 4 Ca -0.45 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 57.59 1ofj h GLU 4 Cb 1.28 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 1ofj h GLU 4 CO 0.64 0.47 0.25 0.78 -1.18 0.00 0.00 179.01 179.97 1ofj h GLY 5 N 0.74 1.22 1.02 1.92 0.00 -1.99 -0.38 103.07 105.59 1ofj h GLY 5 Ca 0.10 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.63 1ofj h GLY 5 CO 0.00 0.65 -0.11 0.83 0.00 0.00 0.00 176.54 177.92 1ofj h GLU 6 N 1.10 0.85 -0.91 4.80 5.08 -1.80 -2.35 114.58 121.35 1ofj h GLU 6 Ca 0.24 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1ofj h GLU 6 Cb 0.27 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1ofj h GLU 6 CO -0.01 0.96 0.53 -1.49 -1.00 0.00 0.00 179.01 178.00 1ofj h TRP 7 N 0.68 1.21 -0.59 4.33 4.06 -1.08 -2.08 115.95 122.48 1ofj h TRP 7 Ca 0.11 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.09 1ofj h TRP 7 Cb 0.65 -0.39 -0.04 0.00 -1.00 0.00 0.00 29.16 28.37 1ofj h TRP 7 CO 0.05 0.81 0.33 1.96 -3.56 0.00 0.00 178.44 178.03 1ofj h GLN 8 N 1.25 0.62 -0.72 0.49 4.20 -0.82 0.11 115.11 120.25 1ofj h GLN 8 Ca 0.32 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.94 1ofj h GLN 8 Cb -0.03 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 1ofj h GLN 8 CO -0.06 0.41 0.24 -0.07 -0.67 0.00 0.00 178.83 178.68 1ofj h LEU 9 N 0.64 1.02 -0.03 1.46 3.38 -1.01 -0.53 115.31 120.24 1ofj h LEU 9 Ca 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ofj h LEU 9 Cb 0.10 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1ofj h LEU 9 CO -0.14 0.94 -0.01 0.58 0.09 0.00 0.00 178.44 179.90 1ofj h VAL 10 N 1.06 1.29 0.00 1.22 2.07 -0.73 -2.93 116.25 118.23 1ofj h VAL 10 Ca 0.23 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 1ofj h VAL 10 Cb 0.28 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1ofj h VAL 10 CO -0.01 0.24 -0.23 -0.07 0.02 0.00 0.00 177.57 177.51 1ofj h LEU 11 N -0.30 0.00 -0.23 2.57 3.38 -0.72 -1.63 115.31 118.39 1ofj h LEU 11 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1ofj h LEU 11 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1ofj h LEU 11 CO 0.00 0.23 -0.10 -0.74 0.09 0.00 0.00 178.44 177.93 1ofj h HIS 12 N 0.00 0.54 -0.01 1.13 2.76 -1.02 -1.63 115.15 116.92 1ofj h HIS 12 Ca -0.00 -0.13 -0.17 0.00 -2.20 0.00 0.00 60.37 57.87 1ofj h HIS 12 Cb 0.71 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 1ofj h HIS 12 CO 0.00 0.73 -0.78 -0.24 -1.30 0.00 0.00 177.93 176.34 1ofj h VAL 13 N 0.18 1.51 -0.24 5.26 3.04 -1.36 -3.01 116.25 121.63 1ofj h VAL 13 Ca 0.05 -2.54 -0.04 0.00 -1.01 0.00 0.00 66.70 63.17 1ofj h VAL 13 Cb 0.59 2.38 -0.01 0.00 -2.01 0.00 0.00 31.29 32.23 1ofj h VAL 13 CO 0.03 0.73 -0.03 -0.25 -1.01 0.00 0.00 177.57 177.04 1ofj h TRP 14 N 0.06 0.37 -0.20 3.17 2.91 -1.18 -1.27 115.95 119.81 1ofj h TRP 14 Ca -0.02 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.96 1ofj h TRP 14 Cb 1.37 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.90 1ofj h TRP 14 CO 0.01 0.40 0.07 0.00 -1.03 0.00 0.00 178.44 177.90 1ofj h ALA 15 N 1.62 1.76 -0.05 2.65 0.00 -1.15 -0.32 119.26 123.76 1ofj h ALA 15 Ca 0.08 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1ofj h ALA 15 Cb 0.29 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ofj h ALA 15 CO 0.01 0.20 -0.71 0.87 0.00 0.00 0.00 179.25 179.62 1ofj h LYS 16 N 0.27 0.57 -0.92 0.00 1.79 -1.30 -3.13 116.57 113.86 1ofj h LYS 16 Ca 0.07 -0.54 0.08 0.00 -2.18 0.00 0.00 60.65 58.07 1ofj h LYS 16 Cb 0.08 0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 30.79 1ofj h LYS 16 CO -0.01 1.17 0.58 0.28 -1.08 0.00 0.00 179.45 180.39 1ofj h VAL 17 N 0.18 1.02 0.00 0.50 2.07 -0.74 -1.97 116.25 117.30 1ofj h VAL 17 Ca -0.07 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1ofj h VAL 17 Cb 1.37 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1ofj h VAL 17 CO 0.14 0.19 0.00 -0.62 0.02 0.00 0.00 177.57 177.30 1ofj n GLU 18 N -4.60 0.09 0.27 1.57 1.02 -0.20 -1.51 120.64 117.27 1ofj n GLU 18 Ca 0.14 0.48 0.16 0.00 -0.02 0.00 0.00 57.16 57.92 1ofj n GLU 18 Cb 0.22 -1.74 0.60 0.00 -0.02 0.00 0.00 31.44 30.50 1ofj n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ofj h ALA 19 N 2.16 1.00 -1.14 0.62 0.00 -1.39 -3.36 119.26 117.14 1ofj h ALA 19 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.53 1ofj h ALA 19 Cb 0.14 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.67 1ofj h ALA 19 CO 0.00 0.03 -0.74 -3.47 0.00 0.00 0.00 179.25 175.07 1ofj n ASP 20 N -3.12 -1.77 -0.18 0.00 2.03 -0.57 -5.02 116.55 107.91 1ofj n ASP 20 Ca 0.01 -2.91 -0.08 0.00 0.52 0.00 0.00 54.79 52.34 1ofj n ASP 20 Cb 0.35 0.74 0.02 0.00 -0.72 0.00 0.00 41.12 41.51 1ofj n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1ofj h VAL 21 N 3.39 1.19 -0.43 5.18 2.07 -1.71 -2.14 116.25 123.79 1ofj h VAL 21 Ca 0.02 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1ofj h VAL 21 Cb 0.98 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1ofj h VAL 21 CO 0.31 0.21 0.23 0.00 0.02 0.00 0.00 177.57 178.33 1ofj h ALA 22 N 1.10 0.56 -0.43 1.67 0.00 -1.91 0.19 119.26 120.44 1ofj h ALA 22 Ca 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ofj h ALA 22 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ofj h ALA 22 CO -0.03 0.09 0.17 0.78 0.00 0.00 0.00 179.25 180.27 1ofj h GLY 23 N 0.56 0.69 1.10 0.00 0.00 -1.93 -1.54 103.07 101.96 1ofj h GLY 23 Ca 0.15 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 1ofj h GLY 23 CO -0.02 0.36 0.07 0.45 0.00 0.00 0.00 176.54 177.39 1ofj h HIS 24 N 0.55 1.17 -0.73 5.60 3.86 -1.21 -2.15 115.15 122.23 1ofj h HIS 24 Ca 0.14 -0.17 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1ofj h HIS 24 Cb 0.20 -0.31 -0.05 0.00 1.06 0.00 0.00 27.41 28.30 1ofj h HIS 24 CO 0.00 0.99 0.45 0.78 0.86 0.00 0.00 177.93 181.01 1ofj h GLY 25 N 1.03 1.07 0.76 2.45 0.00 -0.66 -1.38 103.07 106.34 1ofj h GLY 25 Ca 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1ofj h GLY 25 CO 0.02 0.25 -0.04 1.46 0.00 0.00 0.00 176.54 178.23 1ofj h GLN 26 N 0.85 -0.11 -0.63 4.80 4.20 -1.06 -2.51 115.11 120.65 1ofj h GLN 26 Ca 0.31 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.11 1ofj h GLN 26 Cb 0.09 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 1ofj h GLN 26 CO -0.14 0.14 0.29 -0.44 -0.67 0.00 0.00 178.83 178.01 1ofj h ASP 27 N -0.36 0.35 -0.35 1.46 3.32 -1.20 -0.85 116.42 118.80 1ofj h ASP 27 Ca -0.01 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1ofj h ASP 27 Cb 0.31 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1ofj h ASP 27 CO 0.02 0.21 0.16 0.40 -1.72 0.00 0.00 179.24 178.31 1ofj h ILE 28 N 0.51 1.17 -0.26 0.35 2.04 -1.23 -1.65 117.51 118.44 1ofj h ILE 28 Ca 0.31 -0.51 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 1ofj h ILE 28 Cb 0.32 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1ofj h ILE 28 CO -0.26 0.19 -0.41 0.45 0.00 0.00 0.00 178.15 178.11 1ofj h HIS 29 N 0.42 0.77 -0.55 1.37 3.86 -1.10 -1.12 115.15 118.80 1ofj h HIS 29 Ca 0.12 -0.23 -0.07 0.00 -1.16 0.00 0.00 60.37 59.03 1ofj h HIS 29 Cb 0.15 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1ofj h HIS 29 CO -0.01 0.95 0.06 0.82 0.86 0.00 0.00 177.93 180.61 1ofj h ILE 30 N 0.52 1.26 -0.02 2.45 2.04 -1.12 -0.12 117.51 122.52 1ofj h ILE 30 Ca 0.04 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.90 1ofj h ILE 30 Cb 0.94 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1ofj h ILE 30 CO 0.08 0.36 -0.01 -0.09 0.00 0.00 0.00 178.15 178.50 1ofj h ARG 31 N 0.82 -0.01 -0.09 2.37 9.65 -1.15 0.37 114.38 126.34 1ofj h ARG 31 Ca 0.16 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.07 1ofj h ARG 31 Cb 0.45 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 1ofj h ARG 31 CO 0.02 -0.01 -0.09 1.25 2.80 0.00 0.00 179.97 183.94 1ofj h LEU 32 N -0.01 -0.28 -0.94 3.80 5.85 -0.86 -0.33 115.31 122.54 1ofj h LEU 32 Ca 0.01 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1ofj h LEU 32 Cb 0.03 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1ofj h LEU 32 CO -0.03 -0.13 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.66 1ofj h PHE 33 N -0.11 0.79 -0.16 1.25 0.04 -0.86 0.14 116.94 118.03 1ofj h PHE 33 Ca 0.07 -0.12 -0.19 0.00 2.80 0.00 0.00 57.97 60.53 1ofj h PHE 33 Cb 0.21 -0.21 0.01 0.00 2.20 0.00 0.00 35.95 38.15 1ofj h PHE 33 CO -0.20 0.76 -0.64 0.87 -0.60 0.00 0.00 178.31 178.49 1ofj h LYS 34 N 0.69 0.71 -0.00 1.51 1.57 -0.71 -2.89 116.57 117.44 1ofj h LYS 34 Ca 0.13 -0.56 -0.21 0.00 -1.87 0.00 0.00 60.65 58.14 1ofj h LYS 34 Cb 0.47 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1ofj h LYS 34 CO 0.02 1.17 -0.90 0.77 -0.57 0.00 0.00 179.45 179.94 1ofj h SER 35 N 0.41 0.42 -2.28 0.86 0.02 -0.93 -3.39 113.55 108.67 1ofj h SER 35 Ca -0.04 -0.33 -0.58 0.00 -0.84 0.00 0.00 61.79 60.00 1ofj h SER 35 Cb 1.27 -0.13 -0.39 0.00 0.14 0.00 0.00 62.40 63.30 1ofj h SER 35 CO 0.13 1.13 -0.98 1.41 -1.14 0.00 0.00 176.83 177.38 1ofj n HIS 36 N -3.72 -0.30 -0.19 3.45 8.25 0.48 -4.99 115.22 118.20 1ofj n HIS 36 Ca -0.05 -3.49 0.30 0.00 -0.26 0.00 0.00 57.72 54.22 1ofj n HIS 36 Cb 0.81 -0.03 0.73 0.00 1.12 0.00 0.00 29.99 32.62 1ofj n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ofj h PRO 37 N 5.00 0.00 0.00 -0.41 0.11 -1.69 -0.58 132.00 134.43 1ofj h PRO 37 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1ofj h PRO 37 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1ofj h PRO 37 CO 0.44 0.00 -0.06 1.05 -0.21 0.00 0.00 178.00 179.22 1ofj h GLU 38 N 0.00 0.00 -0.07 1.05 9.09 -1.93 -1.78 114.58 120.94 1ofj h GLU 38 Ca 0.44 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.80 1ofj h GLU 38 Cb 1.86 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.95 1ofj h GLU 38 CO -0.00 0.06 -0.22 1.79 0.05 0.00 0.00 179.01 180.69 1ofj h THR 39 N 0.00 1.19 0.00 -1.06 1.35 -1.44 -2.42 112.91 110.53 1ofj h THR 39 Ca -0.00 -0.90 -0.02 0.00 -0.55 0.00 0.00 66.41 64.93 1ofj h THR 39 Cb 0.11 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1ofj h THR 39 CO 0.01 0.27 -0.12 0.25 -0.25 0.00 0.00 175.52 175.68 1ofj h LEU 40 N 0.12 0.00 -2.08 3.87 5.85 -1.48 -2.38 115.31 119.21 1ofj h LEU 40 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ofj h LEU 40 Cb 0.45 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1ofj h LEU 40 CO 0.03 0.12 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.88 1ofj h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.54 -2.23 114.58 117.15 1ofj h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ofj h GLU 41 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ofj h GLU 41 CO 0.02 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.70 1ofj n LYS 42 N -3.26 0.17 -3.41 2.33 4.76 -0.89 -4.47 118.16 113.39 1ofj n LYS 42 Ca -0.01 0.25 -0.44 0.00 -2.87 0.00 0.00 58.31 55.24 1ofj n LYS 42 Cb 0.21 -1.75 -0.05 0.00 -1.84 0.00 0.00 35.03 31.60 1ofj n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ofj s PHE 43 N -3.14 3.46 0.49 2.13 0.40 -0.84 -4.91 117.98 115.58 1ofj s PHE 43 Ca 0.09 -1.77 0.17 0.00 -0.60 0.00 0.00 56.93 54.82 1ofj s PHE 43 Cb 0.12 -3.68 1.21 0.00 0.51 0.00 0.00 43.02 41.18 1ofj s PHE 43 CO 0.49 -0.99 2.07 -0.44 0.70 0.00 0.00 175.22 177.05 1ofj h ASP 44 N 8.29 0.12 0.54 1.36 3.32 -1.84 0.91 116.42 129.12 1ofj h ASP 44 Ca -0.13 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 1ofj h ASP 44 Cb 1.06 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1ofj h ASP 44 CO 0.88 0.08 -0.41 -0.09 -1.72 0.00 0.00 179.24 177.98 1ofj h ARG 45 N 0.14 0.00 0.00 3.56 2.43 -1.94 -3.34 114.38 115.23 1ofj h ARG 45 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1ofj h ARG 45 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1ofj h ARG 45 CO -0.02 0.41 0.00 1.19 -1.51 0.00 0.00 179.97 180.04 1ofj n PHE 46 N -3.86 0.00 -0.50 2.20 3.72 -0.52 -4.79 117.46 113.71 1ofj n PHE 46 Ca -0.01 0.00 0.41 0.00 -0.05 0.00 0.00 57.45 57.79 1ofj n PHE 46 Cb 0.47 0.00 0.70 0.00 -0.94 0.00 0.00 39.48 39.71 1ofj n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1ofj h LYS 47 N 0.00 0.06 0.00 -1.08 1.57 -1.00 -0.95 116.57 115.17 1ofj h LYS 47 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ofj h LYS 47 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ofj h LYS 47 CO 0.00 0.04 0.00 1.12 -0.57 0.00 0.00 179.45 180.04 1ofj h HIS 48 N 0.06 0.00 -2.33 -1.35 2.07 -1.86 -3.46 115.15 108.28 1ofj h HIS 48 Ca 0.83 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 57.80 1ofj h HIS 48 Cb 2.84 0.00 0.02 0.00 2.57 0.00 0.00 27.41 32.84 1ofj h HIS 48 CO -0.00 0.00 1.18 1.28 -3.07 0.00 0.00 177.93 177.32 1ofj n LEU 49 N -2.71 4.02 -0.08 6.12 4.77 -0.36 -4.90 117.00 123.85 1ofj n LEU 49 Ca 0.04 0.93 -0.14 0.00 -0.03 0.00 0.00 56.01 56.80 1ofj n LEU 49 Cb 0.41 -1.50 -0.14 0.00 -2.33 0.00 0.00 43.42 39.86 1ofj n LEU 49 CO 0.29 0.15 -1.07 0.29 -1.33 0.00 0.00 177.39 175.73 1ofj n LYS 50 N 6.96 0.68 -4.43 3.23 5.02 -1.26 -5.02 118.16 123.33 1ofj n LYS 50 Ca 0.20 0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 56.41 1ofj n LYS 50 Cb 0.38 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 1ofj n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ofj s THR 51 N -2.53 1.54 0.33 -0.18 -4.23 -1.26 -5.03 115.64 104.28 1ofj s THR 51 Ca -0.20 -2.09 0.04 0.00 -1.18 0.00 0.00 61.69 58.26 1ofj s THR 51 Cb 0.07 -2.52 0.15 0.00 1.34 0.00 0.00 72.50 71.54 1ofj s THR 51 CO 0.74 -0.24 1.87 -0.08 -0.54 0.00 0.00 174.62 176.37 1ofj h GLU 52 N 2.24 0.52 -0.64 3.99 4.81 -1.99 -0.61 114.58 122.91 1ofj h GLU 52 Ca -0.40 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 1ofj h GLU 52 Cb 1.23 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1ofj h GLU 52 CO 0.68 0.56 0.30 0.00 -0.73 0.00 0.00 179.01 179.82 1ofj h ALA 53 N 1.49 0.83 -0.50 2.92 0.00 -1.99 0.61 119.26 122.61 1ofj h ALA 53 Ca 0.11 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1ofj h ALA 53 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ofj h ALA 53 CO 0.01 0.40 -0.10 0.93 0.00 0.00 0.00 179.25 180.49 1ofj h GLU 54 N 0.89 0.93 -0.43 0.00 5.08 -1.70 -2.07 114.58 117.28 1ofj h GLU 54 Ca 0.22 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1ofj h GLU 54 Cb 0.13 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1ofj h GLU 54 CO -0.03 0.98 0.23 0.52 -1.00 0.00 0.00 179.01 179.71 1ofj h MET 55 N 0.83 0.60 -0.21 2.33 2.86 -0.55 -2.29 114.93 118.50 1ofj h MET 55 Ca 0.13 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1ofj h MET 55 Cb 0.63 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1ofj h MET 55 CO 0.04 0.48 -0.09 0.87 1.06 0.00 0.00 176.91 179.28 1ofj h LYS 56 N 0.55 0.32 0.00 1.72 1.57 -0.72 -2.59 116.57 117.43 1ofj h LYS 56 Ca 0.15 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1ofj h LYS 56 Cb 0.06 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1ofj h LYS 56 CO -0.02 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.28 1ofj n ALA 57 N -2.49 2.24 -2.32 3.86 0.00 -0.79 -4.81 120.51 116.20 1ofj n ALA 57 Ca -0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1ofj n ALA 57 Cb 0.26 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1ofj n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ofj s SER 58 N -4.56 6.56 0.22 0.00 0.15 -0.90 -4.88 113.70 110.29 1ofj s SER 58 Ca 0.10 1.31 -0.00 0.00 0.70 0.00 0.00 55.95 58.06 1ofj s SER 58 Cb 0.12 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 62.09 1ofj s SER 58 CO 0.59 -1.16 1.55 -0.08 1.20 0.00 0.00 173.24 175.34 1ofj h GLU 59 N 9.82 0.46 -0.53 5.44 4.57 -1.88 -2.28 114.58 130.17 1ofj h GLU 59 Ca -0.28 -0.28 -0.06 0.00 -1.18 0.00 0.00 59.36 57.56 1ofj h GLU 59 Cb 1.11 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 1ofj h GLU 59 CO 1.03 0.87 0.10 -0.44 -1.18 0.00 0.00 179.01 179.38 1ofj h ASP 60 N 0.36 0.84 -0.78 1.04 3.32 -1.97 -1.26 116.42 117.97 1ofj h ASP 60 Ca 0.01 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 1ofj h ASP 60 Cb 1.03 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 1ofj h ASP 60 CO 0.09 0.88 0.37 0.25 -1.72 0.00 0.00 179.24 179.12 1ofj h LEU 61 N 0.77 1.02 -0.67 1.55 5.85 -1.87 -1.34 115.31 120.61 1ofj h LEU 61 Ca 0.16 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1ofj h LEU 61 Cb 0.39 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1ofj h LEU 61 CO 0.01 0.87 0.28 0.50 -0.34 0.00 0.00 178.44 179.76 1ofj h LYS 62 N 1.10 1.00 -0.58 1.25 3.64 -1.13 -1.19 116.57 120.66 1ofj h LYS 62 Ca 0.27 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1ofj h LYS 62 Cb 0.12 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1ofj h LYS 62 CO -0.03 0.82 0.32 0.87 -2.27 0.00 0.00 179.45 179.16 1ofj h LYS 63 N 0.95 0.80 -0.75 1.90 1.57 -0.92 -2.44 116.57 117.69 1ofj h LYS 63 Ca 0.23 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1ofj h LYS 63 Cb 0.19 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1ofj h LYS 63 CO -0.02 0.62 0.46 1.25 -0.57 0.00 0.00 179.45 181.18 1ofj h LEU 64 N 0.78 0.90 -0.91 2.94 7.12 -0.94 -1.91 115.31 123.29 1ofj h LEU 64 Ca 0.20 -0.06 0.02 0.00 0.13 0.00 0.00 57.88 58.17 1ofj h LEU 64 Cb 0.04 -0.23 -0.05 0.00 -0.53 0.00 0.00 40.66 39.90 1ofj h LEU 64 CO -0.03 0.69 0.60 1.23 -0.13 0.00 0.00 178.44 180.80 1ofj h GLY 65 N 1.02 1.29 0.94 3.75 0.00 -0.84 -0.25 103.07 108.98 1ofj h GLY 65 Ca 0.27 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1ofj h GLY 65 CO -0.05 0.45 0.10 -2.08 0.00 0.00 0.00 176.54 174.95 1ofj h VAL 66 N 1.21 1.23 -0.56 4.60 2.07 -1.01 -1.08 116.25 122.72 1ofj h VAL 66 Ca 0.34 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1ofj h VAL 66 Cb -0.11 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1ofj h VAL 66 CO -0.08 0.27 0.35 0.74 0.02 0.00 0.00 177.57 178.87 1ofj h THR 67 N 0.51 1.09 0.01 2.57 2.02 -0.85 0.12 112.91 118.37 1ofj h THR 67 Ca 0.13 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1ofj h THR 67 Cb 0.32 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1ofj h THR 67 CO 0.00 0.13 -0.00 0.58 0.37 0.00 0.00 175.52 176.59 1ofj h VAL 68 N 0.69 1.11 -0.12 3.16 2.07 -0.88 -1.67 116.25 120.62 1ofj h VAL 68 Ca 0.22 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 1ofj h VAL 68 Cb -0.01 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1ofj h VAL 68 CO -0.08 0.09 -0.34 -0.07 0.02 0.00 0.00 177.57 177.19 1ofj h LEU 69 N -0.16 0.25 -0.42 2.57 3.38 -1.06 -0.91 115.31 118.97 1ofj h LEU 69 Ca -0.00 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1ofj h LEU 69 Cb 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ofj h LEU 69 CO 0.00 0.59 -0.03 0.74 0.09 0.00 0.00 178.44 179.83 1ofj h THR 70 N 0.22 1.27 -0.44 0.22 2.02 -0.88 0.45 112.91 115.76 1ofj h THR 70 Ca 0.03 -1.07 -0.07 0.00 0.77 0.00 0.00 66.41 66.07 1ofj h THR 70 Cb 0.71 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1ofj h THR 70 CO 0.05 0.36 0.02 0.00 0.37 0.00 0.00 175.52 176.33 1ofj h ALA 71 N 0.88 0.60 -0.54 6.16 0.00 -1.02 -2.09 119.26 123.24 1ofj h ALA 71 Ca 0.11 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1ofj h ALA 71 Cb 0.52 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ofj h ALA 71 CO 0.03 0.37 -0.03 1.25 0.00 0.00 0.00 179.25 180.87 1ofj h LEU 72 N 0.62 0.97 -0.87 0.00 5.85 -1.09 -2.69 115.31 118.10 1ofj h LEU 72 Ca 0.13 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1ofj h LEU 72 Cb 0.47 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1ofj h LEU 72 CO 0.02 1.06 0.52 1.23 -0.34 0.00 0.00 178.44 180.93 1ofj h GLY 73 N 0.86 1.26 1.32 3.75 0.00 -0.82 -0.52 103.07 108.93 1ofj h GLY 73 Ca 0.15 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1ofj h GLY 73 CO 0.03 0.51 0.24 0.00 0.00 0.00 0.00 176.54 177.33 1ofj h ALA 74 N 1.28 1.30 -0.04 3.60 0.00 -1.18 -1.28 119.26 122.94 1ofj h ALA 74 Ca 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ofj h ALA 74 Cb -0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1ofj h ALA 74 CO -0.06 0.52 -0.03 0.82 0.00 0.00 0.00 179.25 180.50 1ofj h ILE 75 N 0.86 1.36 -0.85 0.00 2.04 -1.07 -3.17 117.51 116.68 1ofj h ILE 75 Ca 0.20 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1ofj h ILE 75 Cb 0.16 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 1ofj h ILE 75 CO -0.02 0.30 0.57 -0.07 0.00 0.00 0.00 178.15 178.93 1ofj h LEU 76 N -0.34 0.97 -1.14 1.44 3.38 -0.86 -1.84 115.31 116.92 1ofj h LEU 76 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ofj h LEU 76 Cb 0.50 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ofj h LEU 76 CO 0.01 0.69 0.00 0.11 0.09 0.00 0.00 178.44 179.34 1ofj h LYS 77 N 1.14 0.00 0.00 1.13 1.57 -1.24 -1.79 116.57 117.37 1ofj h LYS 77 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1ofj h LYS 77 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1ofj h LYS 77 CO -0.07 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.44 1ofj n LYS 78 N -2.43 0.18 -3.83 3.15 4.76 -0.69 -4.95 118.16 114.34 1ofj n LYS 78 Ca 0.01 0.18 -0.24 0.00 -2.87 0.00 0.00 58.31 55.39 1ofj n LYS 78 Cb 0.19 -1.72 0.01 0.00 -1.84 0.00 0.00 35.03 31.66 1ofj n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ofj n LYS 79 N -2.04 -4.15 0.00 1.97 5.02 -0.67 -2.01 118.16 116.28 1ofj n LYS 79 Ca 0.06 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1ofj n LYS 79 Cb 0.38 -4.88 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 1ofj n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ofj n GLY 80 N -1.77 3.26 2.73 0.72 0.00 -1.26 -4.95 105.19 103.93 1ofj n GLY 80 Ca -0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1ofj n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ofj n HIS 81 N -2.00 2.62 -0.91 1.61 8.25 -0.85 -4.68 115.22 119.25 1ofj n HIS 81 Ca 0.00 -2.68 0.08 0.00 -0.26 0.00 0.00 57.72 54.87 1ofj n HIS 81 Cb 0.00 -1.54 0.20 0.00 1.12 0.00 0.00 29.99 29.78 1ofj n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1ofj n HIS 82 N 1.54 0.58 -0.15 4.41 1.44 -1.26 -4.77 115.22 117.02 1ofj n HIS 82 Ca 0.45 -0.87 -0.04 0.00 -2.01 0.00 0.00 57.72 55.24 1ofj n HIS 82 Cb 0.29 -0.23 0.02 0.00 0.12 0.00 0.00 29.99 30.19 1ofj n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1ofj h GLU 83 N 1.20 -0.10 -0.60 -1.40 3.07 -2.00 -1.33 114.58 113.42 1ofj h GLU 83 Ca 0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1ofj h GLU 83 Cb 1.22 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.12 1ofj h GLU 83 CO 0.13 -0.07 0.32 0.00 -1.40 0.00 0.00 179.01 177.99 1ofj h ALA 84 N 1.23 0.78 0.00 3.43 0.00 -2.01 -2.63 119.26 120.05 1ofj h ALA 84 Ca 0.22 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ofj h ALA 84 Cb 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ofj h ALA 84 CO -0.54 0.30 -0.33 0.93 0.00 0.00 0.00 179.25 179.61 1ofj h GLU 85 N 0.82 0.00 0.01 0.00 3.07 -1.80 -3.22 114.58 113.46 1ofj h GLU 85 Ca 0.21 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.87 1ofj h GLU 85 Cb 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1ofj h GLU 85 CO -0.03 0.33 -0.89 1.25 -1.40 0.00 0.00 179.01 178.27 1ofj h LEU 86 N 0.00 0.26 0.17 1.33 5.85 -0.89 -3.36 115.31 118.67 1ofj h LEU 86 Ca -0.00 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1ofj h LEU 86 Cb 0.61 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1ofj h LEU 86 CO 0.04 1.03 -0.43 0.11 -0.34 0.00 0.00 178.44 178.85 1ofj h LYS 87 N 0.11 -0.68 -0.07 1.25 1.57 -1.52 0.11 116.57 117.35 1ofj h LYS 87 Ca -0.05 0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1ofj h LYS 87 Cb 1.52 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.98 1ofj h LYS 87 CO 0.14 -0.45 -0.27 -1.00 -0.57 0.00 0.00 179.45 177.29 1ofj h PRO 88 N -0.70 0.12 -0.30 3.15 0.13 -1.76 -1.09 132.00 131.55 1ofj h PRO 88 Ca 0.01 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.02 1ofj h PRO 88 Cb 0.71 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1ofj h PRO 88 CO -0.22 0.39 -0.13 1.25 -0.23 0.00 0.00 178.00 179.05 1ofj h LEU 89 N 0.11 0.64 -0.50 1.56 7.12 -1.65 -1.79 115.31 120.80 1ofj h LEU 89 Ca 0.02 -0.40 -0.10 0.00 0.13 0.00 0.00 57.88 57.52 1ofj h LEU 89 Cb 0.54 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.48 1ofj h LEU 89 CO 0.04 0.90 -0.09 0.00 -0.13 0.00 0.00 178.44 179.15 1ofj h ALA 90 N 0.76 0.69 -0.16 1.25 0.00 -0.56 -2.11 119.26 119.14 1ofj h ALA 90 Ca 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1ofj h ALA 90 Cb 0.65 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ofj h ALA 90 CO 0.04 0.58 0.07 0.37 0.00 0.00 0.00 179.25 180.31 1ofj h GLN 91 N 0.81 0.23 -0.43 0.00 4.15 -1.06 -0.38 115.11 118.43 1ofj h GLN 91 Ca 0.13 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.38 1ofj h GLN 91 Cb 0.64 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1ofj h GLN 91 CO 0.04 0.28 -0.26 0.66 -1.93 0.00 0.00 178.83 177.62 1ofj h SER 92 N 0.12 0.97 0.73 -0.69 4.64 -1.33 -1.34 113.55 116.66 1ofj h SER 92 Ca 0.05 -0.42 -0.10 0.00 -0.47 0.00 0.00 61.79 60.86 1ofj h SER 92 Cb 0.13 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1ofj h SER 92 CO -0.01 1.18 -0.45 0.45 -0.87 0.00 0.00 176.83 177.13 1ofj h HIS 93 N 0.76 0.00 0.04 4.77 3.86 -1.33 0.67 115.15 123.93 1ofj h HIS 93 Ca 0.09 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.15 1ofj h HIS 93 Cb 0.84 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1ofj h HIS 93 CO 0.06 0.45 -0.78 0.00 0.86 0.00 0.00 177.93 178.52 1ofj h ALA 94 N 1.55 0.11 0.00 2.45 0.00 -1.03 0.85 119.26 123.19 1ofj h ALA 94 Ca -0.00 -0.86 -0.34 0.00 0.00 0.00 0.00 54.91 53.70 1ofj h ALA 94 Cb 0.94 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1ofj h ALA 94 CO 0.06 0.44 -2.24 -2.37 0.00 0.00 0.00 179.25 175.14 1ofj n THR 95 N -4.34 1.40 -0.09 0.00 5.66 -0.51 -3.62 114.28 112.78 1ofj n THR 95 Ca -0.20 -0.84 -0.12 0.00 -3.05 0.00 0.00 64.05 59.84 1ofj n THR 95 Cb 0.68 -0.56 -0.05 0.00 -1.55 0.00 0.00 70.33 68.84 1ofj n THR 95 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ofj n LYS 96 N -2.80 0.50 0.11 1.09 3.00 -0.42 -4.61 118.16 115.03 1ofj n LYS 96 Ca -0.29 0.50 0.05 0.00 -0.00 0.00 0.00 58.31 58.57 1ofj n LYS 96 Cb 1.12 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 34.48 1ofj n LYS 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ofj h HIS 97 N -1.00 0.00 -5.67 5.64 -0.00 -1.09 -3.49 115.15 109.53 1ofj h HIS 97 Ca -0.16 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.03 1ofj h HIS 97 Cb 0.87 0.00 0.07 0.00 -0.00 0.00 0.00 27.41 28.35 1ofj h HIS 97 CO -0.13 0.37 -0.49 1.63 -0.00 0.00 0.00 177.93 179.31 1ofj n LYS 98 N -3.00 -1.57 -3.64 2.45 4.01 -0.53 -4.99 118.16 110.89 1ofj n LYS 98 Ca -0.02 1.10 -0.39 0.00 -0.51 0.00 0.00 58.31 58.48 1ofj n LYS 98 Cb 0.71 -5.16 -0.12 0.00 -0.51 0.00 0.00 35.03 29.96 1ofj n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1ofj s ILE 99 N -3.17 4.50 0.59 -0.18 -1.09 0.18 -5.02 121.20 117.01 1ofj s ILE 99 Ca 0.19 -0.68 -0.18 0.00 -2.23 0.00 0.00 60.65 57.75 1ofj s ILE 99 Cb -0.04 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 1ofj s ILE 99 CO 0.78 -0.09 1.16 -2.16 -1.23 0.00 0.00 174.94 173.41 1ofj s PRO 100 N 1.57 3.05 0.41 2.79 0.04 -1.26 -4.80 135.00 136.81 1ofj s PRO 100 Ca 0.03 1.67 0.18 0.00 0.04 0.00 0.00 61.00 62.92 1ofj s PRO 100 Cb -0.18 -1.96 1.10 0.00 0.04 0.00 0.00 34.50 33.50 1ofj s PRO 100 CO 0.06 -1.10 1.83 0.82 0.04 0.00 0.00 177.00 178.65 1ofj h ILE 101 N 0.82 0.62 -0.92 0.56 1.08 -1.64 -0.33 117.51 117.69 1ofj h ILE 101 Ca -0.50 -0.14 0.12 0.00 -0.39 0.00 0.00 64.86 63.96 1ofj h ILE 101 Cb 1.28 0.19 -0.08 0.00 -3.07 0.00 0.00 36.82 35.13 1ofj h ILE 101 CO 0.55 0.07 0.55 0.50 -0.69 0.00 0.00 178.15 179.14 1ofj h LYS 102 N 0.40 0.83 0.00 2.37 1.63 -1.91 -0.71 116.57 119.18 1ofj h LYS 102 Ca 0.51 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 60.19 1ofj h LYS 102 Cb 1.30 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 1ofj h LYS 102 CO -0.21 0.55 -0.32 1.88 -3.45 0.00 0.00 179.45 177.91 1ofj h TYR 103 N 0.86 0.00 -0.00 1.91 -1.99 -1.41 -2.00 116.97 114.34 1ofj h TYR 103 Ca 0.47 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 61.06 1ofj h TYR 103 Cb 0.50 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 1ofj h TYR 103 CO -0.04 0.32 -0.66 -0.07 -0.00 0.00 0.00 178.16 177.71 1ofj h LEU 104 N 0.00 0.00 -0.32 3.88 3.38 -1.13 -2.15 115.31 118.97 1ofj h LEU 104 Ca -0.00 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1ofj h LEU 104 Cb 0.70 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ofj h LEU 104 CO 0.04 0.66 -0.48 -0.33 0.09 0.00 0.00 178.44 178.42 1ofj h GLU 105 N 0.00 0.88 -0.61 1.13 5.08 -0.82 -2.25 114.58 117.99 1ofj h GLU 105 Ca -0.01 -0.53 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1ofj h GLU 105 Cb 1.16 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1ofj h GLU 105 CO 0.09 1.17 0.40 0.74 -1.00 0.00 0.00 179.01 180.41 1ofj h PHE 106 N 0.67 0.77 0.00 4.33 0.04 -1.19 -1.72 116.94 119.85 1ofj h PHE 106 Ca 0.03 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 1ofj h PHE 106 Cb 1.08 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1ofj h PHE 106 CO 0.07 0.49 -0.47 0.97 -0.60 0.00 0.00 178.31 178.77 1ofj h ILE 107 N 0.83 1.12 -0.66 -0.55 2.10 -1.38 -1.97 117.51 117.00 1ofj h ILE 107 Ca 0.22 -1.73 -0.07 0.00 1.08 0.00 0.00 64.86 64.36 1ofj h ILE 107 Cb -0.09 2.00 -0.03 0.00 -1.09 0.00 0.00 36.82 37.61 1ofj h ILE 107 CO -0.05 0.46 0.14 0.28 -1.08 0.00 0.00 178.15 177.90 1ofj h SER 108 N 0.00 1.02 -0.56 2.19 0.02 -0.91 0.28 113.55 115.60 1ofj h SER 108 Ca -0.00 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 1ofj h SER 108 Cb 0.96 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1ofj h SER 108 CO 0.06 1.00 0.22 -0.33 -1.14 0.00 0.00 176.83 176.64 1ofj h GLU 109 N 1.00 0.84 -0.64 3.45 5.08 -1.03 -1.67 114.58 121.60 1ofj h GLU 109 Ca 0.21 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1ofj h GLU 109 Cb 0.39 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1ofj h GLU 109 CO 0.01 0.73 0.14 0.00 -1.00 0.00 0.00 179.01 178.89 1ofj h ALA 110 N 1.07 1.05 -0.32 3.43 0.00 -0.92 -1.01 119.26 122.56 1ofj h ALA 110 Ca 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ofj h ALA 110 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ofj h ALA 110 CO -0.01 0.62 0.11 0.82 0.00 0.00 0.00 179.25 180.79 1ofj h ILE 111 N 0.96 1.19 -0.81 0.00 2.04 -0.59 -1.73 117.51 118.57 1ofj h ILE 111 Ca 0.20 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 1ofj h ILE 111 Cb 0.35 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1ofj h ILE 111 CO 0.00 0.21 0.35 0.40 0.00 0.00 0.00 178.15 179.11 1ofj h ILE 112 N 0.37 1.26 -0.33 -0.67 2.04 -1.14 -1.75 117.51 117.30 1ofj h ILE 112 Ca 0.11 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1ofj h ILE 112 Cb 0.22 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1ofj h ILE 112 CO -0.01 0.33 0.15 -0.74 0.00 0.00 0.00 178.15 177.89 1ofj h HIS 113 N 1.18 0.48 -0.56 1.37 2.76 -0.98 -1.72 115.15 117.67 1ofj h HIS 113 Ca 0.27 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.31 1ofj h HIS 113 Cb 0.19 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 1ofj h HIS 113 CO 0.02 0.43 -0.09 0.28 -1.30 0.00 0.00 177.93 177.27 1ofj h VAL 114 N 0.39 1.27 -0.43 5.26 2.07 -1.07 -1.73 116.25 122.01 1ofj h VAL 114 Ca 0.11 -1.25 -0.12 0.00 0.82 0.00 0.00 66.70 66.26 1ofj h VAL 114 Cb 0.13 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1ofj h VAL 114 CO -0.01 0.45 -0.23 -0.07 0.02 0.00 0.00 177.57 177.72 1ofj h LEU 115 N 0.93 0.89 -0.73 2.57 3.38 -1.23 0.16 115.31 121.27 1ofj h LEU 115 Ca 0.15 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1ofj h LEU 115 Cb 0.66 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1ofj h LEU 115 CO 0.05 1.08 0.34 -0.74 0.09 0.00 0.00 178.44 179.26 1ofj h HIS 116 N 0.75 1.07 -0.18 1.13 2.76 -1.22 0.12 115.15 119.59 1ofj h HIS 116 Ca 0.10 -0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 1ofj h HIS 116 Cb 0.78 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 1ofj h HIS 116 CO 0.04 0.79 -0.19 1.03 -1.30 0.00 0.00 177.93 178.31 1ofj h SER 117 N 1.03 0.47 0.87 3.26 0.87 -1.02 -3.26 113.55 115.77 1ofj h SER 117 Ca 0.25 -0.49 -0.14 0.00 -1.23 0.00 0.00 61.79 60.19 1ofj h SER 117 Cb 0.13 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1ofj h SER 117 CO -0.03 0.86 -1.21 0.03 -0.53 0.00 0.00 176.83 175.95 1ofj h ARG 118 N 0.09 0.00 -1.56 2.24 3.08 -0.89 -3.40 114.38 113.93 1ofj h ARG 118 Ca 0.03 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.58 1ofj h ARG 118 Cb 0.73 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.37 1ofj h ARG 118 CO 0.05 0.29 -0.96 0.72 -1.07 0.00 0.00 179.97 179.00 1ofj n HIS 119 N -2.92 2.18 -0.30 3.04 8.25 0.41 -4.94 115.22 120.94 1ofj n HIS 119 Ca -0.07 -3.28 0.10 0.00 -0.26 0.00 0.00 57.72 54.22 1ofj n HIS 119 Cb 0.79 -0.31 0.32 0.00 1.12 0.00 0.00 29.99 31.91 1ofj n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ofj h PRO 120 N 2.86 0.78 0.00 -0.41 0.13 -1.70 -0.44 132.00 133.22 1ofj h PRO 120 Ca 0.10 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.14 1ofj h PRO 120 Cb 0.95 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1ofj h PRO 120 CO 0.66 0.52 -0.20 0.78 -0.23 0.00 0.00 178.00 179.54 1ofj h GLY 121 N 0.81 0.00 -1.32 1.56 0.00 -1.92 -2.67 103.07 99.54 1ofj h GLY 121 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1ofj h GLY 121 CO -0.23 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.01 1ofj n ASN 122 N -3.56 3.30 -2.85 0.19 3.02 -0.40 -4.65 115.26 110.31 1ofj n ASN 122 Ca -0.01 -2.49 -0.12 0.00 -0.03 0.00 0.00 54.58 51.93 1ofj n ASN 122 Cb 0.34 -0.37 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1ofj n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1ofj n PHE 123 N -0.06 0.68 -0.99 3.10 7.35 -0.31 -4.68 117.46 122.55 1ofj n PHE 123 Ca 0.16 -3.12 -0.09 0.00 -0.76 0.00 0.00 57.45 53.63 1ofj n PHE 123 Cb 0.63 -0.33 0.07 0.00 0.35 0.00 0.00 39.48 40.21 1ofj n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ofj n GLY 124 N 0.05 -1.87 0.20 7.13 0.00 -1.24 -4.63 105.19 104.83 1ofj n GLY 124 Ca 0.14 -1.58 -0.04 0.00 0.00 0.00 0.00 46.02 44.55 1ofj n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ofj h ALA 125 N -2.08 0.62 -0.49 4.61 0.00 -1.98 -0.42 119.26 119.52 1ofj h ALA 125 Ca -0.13 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ofj h ALA 125 Cb 0.38 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ofj h ALA 125 CO 0.09 -0.17 0.19 -0.44 0.00 0.00 0.00 179.25 178.92 1ofj h ASP 126 N 0.40 0.68 -0.62 0.00 3.32 -1.99 -0.61 116.42 117.60 1ofj h ASP 126 Ca 0.23 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1ofj h ASP 126 Cb 0.21 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1ofj h ASP 126 CO -0.21 0.67 0.15 0.00 -1.72 0.00 0.00 179.24 178.13 1ofj h ALA 127 N 1.04 1.03 -0.57 3.45 0.00 -1.82 -1.58 119.26 120.81 1ofj h ALA 127 Ca 0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1ofj h ALA 127 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ofj h ALA 127 CO -0.01 0.63 -0.01 0.37 0.00 0.00 0.00 179.25 180.23 1ofj h GLN 128 N 0.98 1.02 -0.86 0.00 4.15 -0.76 -0.84 115.11 118.79 1ofj h GLN 128 Ca 0.20 -0.33 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 1ofj h GLN 128 Cb 0.36 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 1ofj h GLN 128 CO 0.00 1.02 0.43 0.78 -1.93 0.00 0.00 178.83 179.12 1ofj h GLY 129 N 0.91 1.32 0.93 2.39 0.00 -0.83 0.08 103.07 107.87 1ofj h GLY 129 Ca 0.16 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1ofj h GLY 129 CO 0.03 0.61 0.06 0.00 0.00 0.00 0.00 176.54 177.25 1ofj h ALA 130 N 1.23 0.52 -0.65 3.60 0.00 -0.93 -0.89 119.26 122.13 1ofj h ALA 130 Ca 0.30 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1ofj h ALA 130 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1ofj h ALA 130 CO -0.04 0.23 0.23 1.98 0.00 0.00 0.00 179.25 181.65 1ofj h MET 131 N 0.49 0.99 -0.72 0.00 -1.53 -0.91 -0.95 114.93 112.30 1ofj h MET 131 Ca 0.12 -0.20 -0.01 0.00 -3.44 0.00 0.00 59.70 56.17 1ofj h MET 131 Cb 0.37 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 31.23 1ofj h MET 131 CO 0.01 0.85 0.41 -0.97 0.14 0.00 0.00 176.91 177.35 1ofj h ASN 132 N 0.93 0.89 -0.74 1.39 -1.24 -0.80 -1.09 115.58 114.92 1ofj h ASN 132 Ca 0.21 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 1ofj h ASN 132 Cb 0.25 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 1ofj h ASN 132 CO -0.01 0.71 0.33 0.50 -1.29 0.00 0.00 177.43 177.67 1ofj h LYS 133 N 0.99 1.08 -0.67 6.67 3.64 -0.77 -0.31 116.57 127.21 1ofj h LYS 133 Ca 0.26 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1ofj h LYS 133 Cb 0.01 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1ofj h LYS 133 CO -0.04 0.87 0.18 0.00 -2.27 0.00 0.00 179.45 178.18 1ofj h ALA 134 N 1.16 0.88 -0.05 5.00 0.00 -0.66 -0.85 119.26 124.74 1ofj h ALA 134 Ca 0.25 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1ofj h ALA 134 Cb 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ofj h ALA 134 CO -0.03 0.58 -0.72 -0.07 0.00 0.00 0.00 179.25 179.01 1ofj h LEU 135 N 0.99 0.35 -0.55 0.00 3.38 -1.04 -1.86 115.31 116.58 1ofj h LEU 135 Ca 0.21 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1ofj h LEU 135 Cb 0.35 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1ofj h LEU 135 CO -0.00 0.96 0.01 -0.33 0.09 0.00 0.00 178.44 179.17 1ofj h GLU 136 N 0.20 0.96 -0.40 1.13 5.08 -0.79 -0.49 114.58 120.26 1ofj h GLU 136 Ca -0.03 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1ofj h GLU 136 Cb 1.29 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1ofj h GLU 136 CO 0.12 0.97 0.25 1.25 -1.00 0.00 0.00 179.01 180.59 1ofj h LEU 137 N 0.84 0.48 -0.17 1.33 5.85 -1.02 0.57 115.31 123.19 1ofj h LEU 137 Ca 0.16 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1ofj h LEU 137 Cb 0.53 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1ofj h LEU 137 CO 0.03 0.39 -0.02 0.15 -0.34 0.00 0.00 178.44 178.64 1ofj h PHE 138 N 0.53 -0.05 -0.62 1.25 3.57 -1.12 -1.43 116.94 119.07 1ofj h PHE 138 Ca 0.15 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1ofj h PHE 138 Cb -0.01 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1ofj h PHE 138 CO -0.04 -0.05 0.14 0.00 -2.23 0.00 0.00 178.31 176.13 1ofj h ARG 139 N 0.02 0.98 -0.22 1.11 3.08 -0.80 -0.84 114.38 117.72 1ofj h ARG 139 Ca 0.08 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1ofj h ARG 139 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1ofj h ARG 139 CO -0.16 0.88 0.07 -0.22 -1.07 0.00 0.00 179.97 179.48 1ofj h LYS 140 N 0.93 0.34 -0.42 0.04 3.64 -0.65 0.17 116.57 120.61 1ofj h LYS 140 Ca 0.20 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 1ofj h LYS 140 Cb 0.35 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1ofj h LYS 140 CO 0.00 0.42 -0.17 -0.44 -2.27 0.00 0.00 179.45 176.99 1ofj h ASP 141 N 0.19 0.79 -0.50 4.20 3.32 -1.16 -1.52 116.42 121.74 1ofj h ASP 141 Ca 0.07 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 1ofj h ASP 141 Cb 0.22 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1ofj h ASP 141 CO -0.00 0.96 -0.06 0.40 -1.72 0.00 0.00 179.24 178.82 1ofj h ILE 142 N 0.70 1.27 -0.79 0.35 1.08 -1.06 -2.17 117.51 116.89 1ofj h ILE 142 Ca 0.11 -1.17 -0.01 0.00 -0.39 0.00 0.00 64.86 63.40 1ofj h ILE 142 Cb 0.67 1.02 -0.04 0.00 -3.07 0.00 0.00 36.82 35.40 1ofj h ILE 142 CO 0.05 0.41 0.47 0.00 -0.69 0.00 0.00 178.15 178.39 1ofj h ALA 143 N 0.91 1.01 -0.82 1.87 0.00 -0.71 0.67 119.26 122.21 1ofj h ALA 143 Ca 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ofj h ALA 143 Cb 0.60 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1ofj h ALA 143 CO 0.04 0.49 0.39 0.00 0.00 0.00 0.00 179.25 180.16 1ofj h ALA 144 N 1.25 1.06 -0.52 0.00 0.00 -1.08 -2.26 119.26 117.71 1ofj h ALA 144 Ca 0.28 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1ofj h ALA 144 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1ofj h ALA 144 CO -0.05 0.63 -0.17 0.87 0.00 0.00 0.00 179.25 180.52 1ofj h LYS 145 N 1.17 1.03 -0.48 0.00 6.56 -0.81 -2.54 116.57 121.49 1ofj h LYS 145 Ca 0.28 -0.41 0.08 0.00 -1.06 0.00 0.00 60.65 59.53 1ofj h LYS 145 Cb 0.13 -0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 31.68 1ofj h LYS 145 CO -0.03 1.10 0.12 1.88 -2.06 0.00 0.00 179.45 180.46 1ofj h TYR 146 N 0.89 0.20 -0.32 -1.35 -1.99 -0.45 -0.55 116.97 113.41 1ofj h TYR 146 Ca 0.12 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.90 1ofj h TYR 146 Cb 0.75 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.44 1ofj h TYR 146 CO 0.05 0.03 0.18 -0.22 -0.00 0.00 0.00 178.16 178.20 1ofj h LYS 147 N 0.27 0.36 -0.17 4.88 3.64 -1.18 -1.08 116.57 123.28 1ofj h LYS 147 Ca 0.24 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1ofj h LYS 147 Cb 0.29 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1ofj h LYS 147 CO -0.29 0.24 0.03 0.93 -2.27 0.00 0.00 179.45 178.09 1ofj h GLU 148 N 0.37 0.24 -0.00 1.90 5.08 -0.98 -1.67 114.58 119.51 1ofj h GLU 148 Ca 0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ofj h GLU 148 Cb 0.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1ofj h GLU 148 CO -0.07 0.23 -0.11 1.28 -1.00 0.00 0.00 179.01 179.34 1ofj n LEU 149 N -4.43 0.27 0.00 1.33 4.77 -0.27 -4.93 117.00 113.74 1ofj n LEU 149 Ca -0.00 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1ofj n LEU 149 Cb 0.14 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1ofj n LEU 149 CO 0.36 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1ofj n GLY 150 N 1.36 0.78 0.61 -0.72 0.00 -0.63 -4.98 105.19 101.61 1ofj n GLY 150 Ca 0.12 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1ofj n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ofj n TYR 151 N -2.39 0.00 -1.61 1.61 9.36 -0.51 -5.01 117.16 118.62 1ofj n TYR 151 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 1ofj n TYR 151 Cb 0.00 -0.40 0.01 0.00 -0.63 0.00 0.00 39.34 38.32 1ofj n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1ofj n GLN 152 N -3.65 -0.44 0.00 2.98 -0.06 -1.06 -4.88 117.38 110.26 1ofj n GLN 152 Ca -0.21 0.36 0.00 0.00 -2.00 0.00 0.00 57.00 55.15 1ofj n GLN 152 Cb 0.58 -0.50 0.00 0.00 -4.06 0.00 0.00 30.24 26.26 1ofj n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27