#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgr h SER 9 N 0.00 0.00 -4.08 -3.46 4.64 -2.05 -3.45 113.55 105.14 1pgr h SER 9 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1pgr h SER 9 Cb 0.00 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.85 1pgr h SER 9 CO 0.00 0.32 -0.79 -0.76 -0.87 0.00 0.00 176.83 174.72 1pgr s LEU 10 N -6.38 2.62 0.15 5.97 1.43 -1.26 -5.09 118.68 116.13 1pgr s LEU 10 Ca 0.05 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 52.54 1pgr s LEU 10 Cb 0.07 -1.53 -0.09 0.00 0.03 0.00 0.00 46.19 44.67 1pgr s LEU 10 CO 0.72 0.32 1.52 -2.84 0.23 0.00 0.00 176.35 176.29 1pgr s PRO 11 N -0.93 4.25 0.52 1.29 0.02 -1.26 -4.92 135.00 133.97 1pgr s PRO 11 Ca 0.12 2.28 0.25 0.00 0.02 0.00 0.00 61.00 63.67 1pgr s PRO 11 Cb -0.10 -3.18 1.45 0.00 0.02 0.00 0.00 34.50 32.68 1pgr s PRO 11 CO 0.02 -0.56 2.11 0.37 -0.33 0.00 0.00 177.00 178.61 1pgr h GLN 12 N 6.76 0.00 0.00 5.54 -0.00 -1.99 -1.21 115.11 124.22 1pgr h GLN 12 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 1pgr h GLN 12 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.69 1pgr h GLN 12 CO 0.90 0.09 0.00 0.66 0.00 0.00 0.00 178.83 180.48 1pgr h SER 13 N 0.00 0.00 0.04 -0.69 4.64 -1.99 -1.67 113.55 113.89 1pgr h SER 13 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1pgr h SER 13 Cb 0.22 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1pgr h SER 13 CO 0.01 0.00 -0.31 0.15 -0.87 0.00 0.00 176.83 175.82 1pgr h PHE 14 N 0.00 0.24 -0.27 4.77 3.57 -1.61 -2.49 116.94 121.15 1pgr h PHE 14 Ca 0.00 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 1pgr h PHE 14 Cb 0.71 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1pgr h PHE 14 CO 0.00 1.06 0.07 -0.07 -2.23 0.00 0.00 178.31 177.14 1pgr h LEU 15 N -0.66 0.35 -0.37 0.59 3.38 -1.39 0.49 115.31 117.70 1pgr h LEU 15 Ca -0.05 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1pgr h LEU 15 Cb 1.17 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1pgr h LEU 15 CO 0.06 0.36 -0.02 -0.07 0.09 0.00 0.00 178.44 178.86 1pgr h LEU 16 N 0.39 0.67 -0.63 1.67 4.07 -1.34 -1.60 115.31 118.53 1pgr h LEU 16 Ca 0.09 -0.32 -0.12 0.00 0.08 0.00 0.00 57.88 57.61 1pgr h LEU 16 Cb 0.15 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1pgr h LEU 16 CO -0.00 0.83 -0.25 0.11 -1.08 0.00 0.00 178.44 178.04 1pgr h LYS 17 N 0.49 0.81 -0.41 1.13 1.57 -0.94 -2.86 116.57 116.36 1pgr h LYS 17 Ca 0.10 -0.35 0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1pgr h LYS 17 Cb 0.50 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1pgr h LYS 17 CO 0.02 0.97 0.17 0.00 -0.57 0.00 0.00 179.45 180.05 1pgr h LEU 19 N 0.36 0.00 0.20 0.00 3.38 -1.22 -0.76 115.31 117.26 1pgr h LEU 19 Ca 0.18 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.89 1pgr h LEU 19 Cb 0.13 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.91 1pgr h LEU 19 CO -0.16 0.10 -1.16 -0.08 0.09 0.00 0.00 178.44 177.23 1pgr h GLU 20 N 0.00 0.42 -0.71 1.13 4.81 -0.96 -2.98 114.58 116.29 1pgr h GLU 20 Ca -0.00 -0.71 -0.06 0.00 -0.13 0.00 0.00 59.36 58.45 1pgr h GLU 20 Cb 0.23 0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1pgr h GLU 20 CO 0.01 1.34 0.19 1.96 -0.73 0.00 0.00 179.01 181.79 1pgr h GLN 21 N -0.12 1.12 -0.21 1.92 4.20 -0.68 0.61 115.11 121.96 1pgr h GLN 21 Ca -0.20 -0.26 0.04 0.00 0.06 0.00 0.00 58.65 58.29 1pgr h GLN 21 Cb 1.90 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 29.49 1pgr h GLN 21 CO 0.21 0.98 -0.07 0.28 -0.67 0.00 0.00 178.83 179.56 1pgr h VAL 22 N 1.06 0.76 0.01 -0.54 2.07 -1.24 0.08 116.25 118.45 1pgr h VAL 22 Ca 0.23 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.74 1pgr h VAL 22 Cb 0.35 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1pgr h VAL 22 CO -0.00 0.00 -0.01 0.03 0.02 0.00 0.00 177.57 177.61 1pgr h ARG 23 N -0.02 -0.02 -0.68 1.57 3.08 -1.30 -0.35 114.38 116.66 1pgr h ARG 23 Ca 0.10 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.29 1pgr h ARG 23 Cb 0.18 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 1pgr h ARG 23 CO -0.23 0.09 0.20 -0.22 -1.07 0.00 0.00 179.97 178.74 1pgr h LYS 24 N -0.13 0.31 -0.22 0.04 3.64 -0.67 0.40 116.57 119.95 1pgr h LYS 24 Ca -0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1pgr h LYS 24 Cb 0.12 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1pgr h LYS 24 CO 0.00 0.21 -0.25 0.82 -2.27 0.00 0.00 179.45 177.96 1pgr h ILE 25 N 0.32 1.26 0.00 2.00 2.04 -0.62 -0.53 117.51 121.98 1pgr h ILE 25 Ca 0.37 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.93 1pgr h ILE 25 Cb 0.58 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1pgr h ILE 25 CO -0.43 0.38 -0.39 1.56 0.00 0.00 0.00 178.15 179.27 1pgr h GLN 26 N 0.36 0.00 -0.11 2.37 4.20 0.00 -1.01 115.11 120.93 1pgr h GLN 26 Ca 0.06 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.54 1pgr h GLN 26 Cb 0.64 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.43 1pgr h GLN 26 CO 0.05 0.39 -0.83 0.78 -0.67 0.00 0.00 178.83 178.55 1pgr h GLY 27 N 1.36 0.80 1.01 3.46 0.00 0.30 -2.19 103.07 107.82 1pgr h GLY 27 Ca -0.00 -1.19 -0.09 0.00 0.00 0.00 0.00 47.33 46.05 1pgr h GLY 27 CO 0.05 1.06 -0.08 -0.55 0.00 0.00 0.00 176.54 177.02 1pgr h ASP 28 N 0.48 0.85 0.03 0.19 3.32 -0.75 -2.17 116.42 118.37 1pgr h ASP 28 Ca -0.07 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 1pgr h ASP 28 Cb 1.46 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1pgr h ASP 28 CO 0.17 1.00 -0.28 1.23 -1.72 0.00 0.00 179.24 179.63 1pgr h GLY 29 N 0.68 0.42 2.00 2.75 0.00 -1.22 -0.95 103.07 106.76 1pgr h GLY 29 Ca 0.12 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 1pgr h GLY 29 CO 0.04 0.32 -0.47 0.00 0.00 0.00 0.00 176.54 176.43 1pgr h ALA 30 N 1.36 0.99 -0.02 3.60 0.00 -1.29 -1.09 119.26 122.81 1pgr h ALA 30 Ca 0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1pgr h ALA 30 Cb 0.67 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1pgr h ALA 30 CO 0.05 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 1pgr h ALA 31 N 1.53 0.04 0.41 0.00 0.00 -0.80 -1.13 119.26 119.32 1pgr h ALA 31 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1pgr h ALA 31 Cb 0.97 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1pgr h ALA 31 CO 0.06 -0.21 -0.41 1.25 0.00 0.00 0.00 179.25 179.94 1pgr h LEU 32 N -0.40 -1.11 -1.36 0.00 5.85 -1.03 0.76 115.31 118.01 1pgr h LEU 32 Ca 0.00 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1pgr h LEU 32 Cb 0.50 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1pgr h LEU 32 CO 0.01 -0.56 0.51 1.56 -0.34 0.00 0.00 178.44 179.61 1pgr h GLN 33 N -0.84 0.70 -0.54 1.25 4.20 -1.26 0.11 115.11 118.73 1pgr h GLN 33 Ca -0.04 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 1pgr h GLN 33 Cb 0.75 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1pgr h GLN 33 CO -0.06 0.46 -0.02 0.93 -0.67 0.00 0.00 178.83 179.47 1pgr h GLU 34 N 0.72 0.92 -0.32 1.46 5.08 -0.31 -2.53 114.58 119.60 1pgr h GLU 34 Ca 0.36 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 1pgr h GLU 34 Cb 0.44 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1pgr h GLU 34 CO -0.13 0.92 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.33 1pgr h LYS 35 N 0.85 0.64 -0.22 2.33 1.63 0.15 -0.98 116.57 120.97 1pgr h LYS 35 Ca 0.16 -0.26 -0.14 0.00 -0.85 0.00 0.00 60.65 59.56 1pgr h LYS 35 Cb 0.52 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 1pgr h LYS 35 CO 0.03 0.83 -0.44 -0.07 -3.45 0.00 0.00 179.45 176.35 1pgr h LEU 36 N 0.56 0.58 -0.12 5.20 3.38 -0.96 0.88 115.31 124.83 1pgr h LEU 36 Ca 0.08 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 1pgr h LEU 36 Cb 0.72 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1pgr h LEU 36 CO 0.06 0.94 -0.48 0.00 0.09 0.00 0.00 178.44 179.05 1pgr h ALA 38 N 0.50 0.89 0.00 0.00 0.00 -1.11 -0.48 119.26 119.06 1pgr h ALA 38 Ca -0.03 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 1pgr h ALA 38 Cb 1.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1pgr h ALA 38 CO 0.10 0.71 -1.37 2.41 0.00 0.00 0.00 179.25 181.10 1pgr n THR 39 N -3.90 0.97 -0.98 0.00 -1.04 0.29 -4.63 114.28 105.00 1pgr n THR 39 Ca -0.02 -0.65 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1pgr n THR 39 Cb 0.59 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 1pgr n THR 39 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1pgr n TYR 40 N -2.79 0.00 -2.22 -1.42 4.01 0.20 -5.01 117.16 109.93 1pgr n TYR 40 Ca -0.07 -0.01 -0.17 0.00 -0.16 0.00 0.00 57.90 57.48 1pgr n TYR 40 Cb 0.75 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.76 1pgr n TYR 40 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1pgr n LYS 41 N -0.01 -1.81 -3.07 -0.72 5.02 -0.19 -4.90 118.16 112.48 1pgr n LYS 41 Ca 0.00 0.87 -0.45 0.00 -2.02 0.00 0.00 58.31 56.71 1pgr n LYS 41 Cb 0.46 -5.44 -0.04 0.00 -0.02 0.00 0.00 35.03 30.00 1pgr n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pgr s LEU 42 N -5.51 5.29 -0.03 -0.35 1.43 -1.20 -4.88 118.68 113.44 1pgr s LEU 42 Ca 0.00 -1.48 0.04 0.00 -1.03 0.00 0.00 54.13 51.66 1pgr s LEU 42 Cb 0.00 -2.32 0.06 0.00 0.03 0.00 0.00 46.19 43.96 1pgr s LEU 42 CO 0.00 -1.13 0.93 0.00 0.23 0.00 0.00 176.35 176.38 1pgr s HIS 44 N -1.11 -1.32 0.47 0.00 3.76 -1.26 -4.99 115.29 110.84 1pgr s HIS 44 Ca 0.07 0.12 0.25 0.00 -0.15 0.00 0.00 55.06 55.35 1pgr s HIS 44 Cb 0.06 0.09 1.36 0.00 1.11 0.00 0.00 32.58 35.19 1pgr s HIS 44 CO 0.01 -1.09 1.74 -1.00 -0.85 0.00 0.00 174.74 173.54 1pgr h PRO 45 N 7.29 0.00 -0.90 8.40 0.13 -1.92 0.35 132.00 145.36 1pgr h PRO 45 Ca 0.03 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.20 1pgr h PRO 45 Cb 1.14 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 1pgr h PRO 45 CO 0.15 0.00 0.59 0.93 -0.23 0.00 0.00 178.00 179.44 1pgr h GLU 46 N 0.00 1.06 0.00 0.86 3.07 -2.00 -1.11 114.58 116.47 1pgr h GLU 46 Ca 0.00 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.71 1pgr h GLU 46 Cb 0.65 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1pgr h GLU 46 CO 0.00 0.70 -0.42 0.93 -1.40 0.00 0.00 179.01 178.82 1pgr h GLU 47 N 1.09 0.00 0.00 2.33 5.08 -0.73 -3.18 114.58 119.18 1pgr h GLU 47 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1pgr h GLU 47 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1pgr h GLU 47 CO -0.12 0.42 -0.60 1.28 -1.00 0.00 0.00 179.01 178.99 1pgr n LEU 48 N -3.71 0.62 -0.28 1.33 4.77 -0.62 -4.60 117.00 114.52 1pgr n LEU 48 Ca -0.01 0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 56.10 1pgr n LEU 48 Cb 0.50 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1pgr n LEU 48 CO 0.38 -0.00 0.38 0.52 -1.33 0.00 0.00 177.39 177.33 1pgr n VAL 49 N -1.94 -0.41 0.30 4.08 0.31 -0.52 -0.70 118.33 119.46 1pgr n VAL 49 Ca 0.04 1.66 0.17 0.00 -0.01 0.00 0.00 64.34 66.19 1pgr n VAL 49 Cb 0.41 -2.12 0.95 0.00 -0.91 0.00 0.00 33.84 32.17 1pgr n VAL 49 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1pgr h LEU 50 N 0.00 0.00 -0.21 7.52 3.38 -1.84 0.52 115.31 124.67 1pgr h LEU 50 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1pgr h LEU 50 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1pgr h LEU 50 CO -0.68 0.03 0.00 -0.07 0.09 0.00 0.00 178.44 177.81 1pgr h LEU 51 N 0.00 0.00 -1.15 1.67 4.07 -1.24 -2.96 115.31 115.70 1pgr h LEU 51 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pgr h LEU 51 Cb 0.09 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 1pgr h LEU 51 CO 0.00 0.00 0.53 1.23 -1.08 0.00 0.00 178.44 179.12 1pgr h GLY 52 N 3.89 1.17 0.14 0.83 0.00 -0.84 0.85 103.07 109.12 1pgr h GLY 52 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1pgr h GLY 52 CO 0.00 0.45 -0.15 0.45 0.00 0.00 0.00 176.54 177.29 1pgr h HIS 53 N 1.13 -0.41 -0.36 5.60 3.86 -1.63 0.13 115.15 123.46 1pgr h HIS 53 Ca 0.30 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.55 1pgr h HIS 53 Cb -0.10 0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.48 1pgr h HIS 53 CO 0.00 -0.20 -0.27 0.77 0.86 0.00 0.00 177.93 179.10 1pgr h SER 54 N -0.29 -0.95 -0.89 2.45 0.02 -1.57 -1.19 113.55 111.12 1pgr h SER 54 Ca -0.02 0.14 0.15 0.00 -0.84 0.00 0.00 61.79 61.22 1pgr h SER 54 Cb 0.25 0.41 -0.09 0.00 0.14 0.00 0.00 62.40 63.11 1pgr h SER 54 CO -0.02 -0.14 0.49 -0.07 -1.14 0.00 0.00 176.83 175.96 1pgr h LEU 55 N -0.07 0.63 -0.78 5.07 3.38 -0.83 -3.47 115.31 119.25 1pgr h LEU 55 Ca 0.06 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1pgr h LEU 55 Cb 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1pgr h LEU 55 CO -0.38 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.04 1pgr n GLY 56 N -1.33 0.92 3.65 0.83 0.00 0.45 -3.67 105.19 106.03 1pgr n GLY 56 Ca 0.18 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1pgr n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pgr s ILE 57 N -2.67 4.35 1.13 -0.61 -1.09 -1.10 -4.58 121.20 116.63 1pgr s ILE 57 Ca 0.00 1.58 -0.19 0.00 -2.23 0.00 0.00 60.65 59.81 1pgr s ILE 57 Cb 0.00 -4.19 0.27 0.00 -1.58 0.00 0.00 42.46 36.96 1pgr s ILE 57 CO 0.00 -0.32 1.22 -2.16 -1.23 0.00 0.00 174.94 172.45 1pgr s PRO 58 N 3.70 -0.72 -0.17 2.79 0.04 -1.26 -4.94 135.00 134.43 1pgr s PRO 58 Ca 0.52 -0.35 -0.02 0.00 0.04 0.00 0.00 61.00 61.19 1pgr s PRO 58 Cb -0.17 -1.68 0.05 0.00 0.04 0.00 0.00 34.50 32.74 1pgr s PRO 58 CO 0.16 -3.33 0.02 -0.46 0.04 0.00 0.00 177.00 173.43 1pgr s TRP 59 N -3.44 1.07 -0.17 0.56 -0.00 -1.26 -5.05 118.94 110.66 1pgr s TRP 59 Ca 0.74 -0.79 -0.29 0.00 -0.00 0.00 0.00 56.10 55.76 1pgr s TRP 59 Cb -0.05 -1.03 -0.05 0.00 -0.00 0.00 0.00 33.47 32.34 1pgr s TRP 59 CO 0.55 -0.57 1.93 0.00 -0.00 0.00 0.00 176.95 178.86 1pgr s ALA 60 N 1.84 3.12 -0.36 5.86 0.00 -1.26 -4.95 121.76 126.01 1pgr s ALA 60 Ca 0.00 0.77 -0.19 0.00 0.00 0.00 0.00 51.96 52.54 1pgr s ALA 60 Cb -0.16 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.02 1pgr s ALA 60 CO -0.07 -2.21 0.56 -1.25 0.00 0.00 0.00 175.76 172.79 1pgr s PRO 61 N 5.30 3.60 -0.56 0.00 0.04 -1.26 -4.96 135.00 137.16 1pgr s PRO 61 Ca 0.87 -0.11 -0.07 0.00 0.04 0.00 0.00 61.00 61.72 1pgr s PRO 61 Cb -0.32 -3.82 -0.18 0.00 0.04 0.00 0.00 34.50 30.22 1pgr s PRO 61 CO 0.35 -0.71 3.33 1.28 0.04 0.00 0.00 177.00 181.28 1pgr n LEU 62 N 5.88 6.48 0.00 -3.56 4.77 -1.26 -4.89 117.00 124.43 1pgr n LEU 62 Ca -0.03 -3.66 0.00 0.00 -0.03 0.00 0.00 56.01 52.29 1pgr n LEU 62 Cb 0.49 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 1pgr n LEU 62 CO 0.47 1.83 0.00 -0.24 -1.33 0.00 0.00 177.39 178.12 1pgr n SER 63 N 2.67 0.00 -3.24 -1.43 2.88 -1.26 -1.89 113.62 111.34 1pgr n SER 63 Ca 0.55 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 58.06 1pgr n SER 63 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1pgr n SER 63 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1pgr n SER 64 N 0.00 -0.34 -3.92 -3.46 2.88 -1.26 -4.87 113.62 102.65 1pgr n SER 64 Ca 0.00 -0.09 -0.29 0.00 -1.33 0.00 0.00 58.87 57.16 1pgr n SER 64 Cb 0.00 -0.12 -0.11 0.00 -0.75 0.00 0.00 64.21 63.22 1pgr n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pgr h PRO 66 N 5.44 0.00 0.00 0.00 0.11 -1.90 -3.48 132.00 132.17 1pgr h PRO 66 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1pgr h PRO 66 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1pgr h PRO 66 CO 0.73 0.05 0.00 0.45 -0.21 0.00 0.00 178.00 179.03 1pgr n SER 67 N -3.04 0.57 -3.62 -2.05 2.88 -1.26 -4.90 113.62 102.19 1pgr n SER 67 Ca 0.03 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.13 1pgr n SER 67 Cb 0.56 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.91 1pgr n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pgr n GLN 71 N 0.00 0.00 -0.17 -1.46 3.00 -1.26 -4.89 117.38 112.59 1pgr n GLN 71 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1pgr n GLN 71 Cb 0.00 -1.25 0.05 0.00 0.00 0.00 0.00 30.24 29.04 1pgr n GLN 71 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1pgr h LEU 72 N 8.40 -0.41 -1.25 1.08 3.38 -1.99 1.42 115.31 125.93 1pgr h LEU 72 Ca -0.07 0.15 0.22 0.00 0.09 0.00 0.00 57.88 58.28 1pgr h LEU 72 Cb 1.15 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 42.10 1pgr h LEU 72 CO 1.00 -0.15 0.63 0.00 0.09 0.00 0.00 178.44 180.01 1pgr h ALA 73 N 1.52 2.01 0.13 1.53 0.00 -1.98 0.73 119.26 123.19 1pgr h ALA 73 Ca 0.26 0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.93 1pgr h ALA 73 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pgr h ALA 73 CO -0.52 -0.38 -1.46 0.78 0.00 0.00 0.00 179.25 177.68 1pgr h GLY 74 N 0.54 0.32 0.67 0.00 0.00 0.68 -3.18 103.07 102.11 1pgr h GLY 74 Ca 0.56 -0.82 -0.28 0.00 0.00 0.00 0.00 47.33 46.79 1pgr h GLY 74 CO -0.31 0.72 -1.40 0.00 0.00 0.00 0.00 176.54 175.55 1pgr h LEU 76 N -0.21 0.00 -0.05 0.00 5.85 0.21 0.29 115.31 121.38 1pgr h LEU 76 Ca -0.29 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.23 1pgr h LEU 76 Cb 1.83 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.83 1pgr h LEU 76 CO 0.10 0.01 -0.98 0.77 -0.34 0.00 0.00 178.44 178.00 1pgr h SER 77 N 0.00 0.03 -0.15 1.25 4.64 -1.55 -1.78 113.55 115.99 1pgr h SER 77 Ca -0.00 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1pgr h SER 77 Cb 0.01 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1pgr h SER 77 CO 0.00 0.99 -0.20 1.56 -0.87 0.00 0.00 176.83 178.31 1pgr h GLN 78 N 0.01 0.57 -0.06 4.77 4.20 0.08 -0.40 115.11 124.28 1pgr h GLN 78 Ca -0.02 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1pgr h GLN 78 Cb 1.73 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.46 1pgr h GLN 78 CO 0.13 0.74 0.02 1.25 -0.67 0.00 0.00 178.83 180.30 1pgr h LEU 79 N 0.51 0.08 -1.00 1.46 5.85 -0.43 -0.91 115.31 120.87 1pgr h LEU 79 Ca 0.08 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1pgr h LEU 79 Cb 0.64 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1pgr h LEU 79 CO 0.05 0.24 0.11 -0.74 -0.34 0.00 0.00 178.44 177.76 1pgr h HIS 80 N -0.09 0.86 -0.23 1.25 2.76 -1.05 -2.12 115.15 116.54 1pgr h HIS 80 Ca 0.02 -0.09 -0.19 0.00 -2.20 0.00 0.00 60.37 57.91 1pgr h HIS 80 Cb 0.19 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.90 1pgr h HIS 80 CO -0.01 0.73 -0.62 0.66 -1.30 0.00 0.00 177.93 177.39 1pgr h SER 81 N 0.80 0.91 -0.04 3.26 4.64 -0.84 0.12 113.55 122.40 1pgr h SER 81 Ca 0.17 -0.52 0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1pgr h SER 81 Cb 0.32 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 1pgr h SER 81 CO 0.00 1.31 -0.20 1.23 -0.87 0.00 0.00 176.83 178.30 1pgr h GLY 82 N 0.72 -0.25 0.87 -0.77 0.00 -1.04 0.72 103.07 103.33 1pgr h GLY 82 Ca -0.01 0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.59 1pgr h GLY 82 CO 0.13 -0.18 0.42 1.41 0.00 0.00 0.00 176.54 178.32 1pgr h LEU 83 N -0.30 0.69 -1.77 3.11 3.38 -1.29 -0.53 115.31 118.60 1pgr h LEU 83 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1pgr h LEU 83 Cb 0.39 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1pgr h LEU 83 CO -0.21 0.48 0.08 0.15 0.09 0.00 0.00 178.44 179.03 1pgr h PHE 84 N 0.83 0.22 -0.11 1.13 3.57 0.31 -1.45 116.94 121.44 1pgr h PHE 84 Ca 0.27 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.63 1pgr h PHE 84 Cb 0.02 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 38.70 1pgr h PHE 84 CO -0.05 0.17 -0.52 1.25 -2.23 0.00 0.00 178.31 176.93 1pgr h LEU 85 N 0.23 0.64 -1.24 0.59 5.85 0.67 -3.03 115.31 119.02 1pgr h LEU 85 Ca 0.06 -0.64 -0.08 0.00 0.84 0.00 0.00 57.88 58.06 1pgr h LEU 85 Cb 0.02 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1pgr h LEU 85 CO -0.01 1.18 -0.36 1.88 -0.34 0.00 0.00 178.44 180.78 1pgr h TYR 86 N 0.14 0.00 0.00 1.25 0.05 -0.86 -0.60 116.97 116.96 1pgr h TYR 86 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1pgr h TYR 86 Cb 1.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.90 1pgr h TYR 86 CO 0.11 0.36 0.00 -0.56 -1.05 0.00 0.00 178.16 177.03 1pgr h GLN 87 N 0.00 0.00 0.01 4.88 3.07 -1.28 -0.66 115.11 121.13 1pgr h GLN 87 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1pgr h GLN 87 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.26 1pgr h GLN 87 CO 0.05 0.00 -0.01 0.78 0.09 0.00 0.00 178.83 179.74 1pgr h GLY 88 N 3.28 -0.02 0.52 0.06 0.00 -1.08 -2.67 103.07 103.16 1pgr h GLY 88 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1pgr h GLY 88 CO 0.00 -0.01 0.15 1.41 0.00 0.00 0.00 176.54 178.09 1pgr h LEU 89 N -0.98 0.13 -1.95 3.11 3.38 -1.05 -0.22 115.31 117.74 1pgr h LEU 89 Ca -0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1pgr h LEU 89 Cb 0.66 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1pgr h LEU 89 CO 0.00 0.10 -0.11 -0.07 0.09 0.00 0.00 178.44 178.46 1pgr h LEU 90 N 0.31 0.00 -0.10 1.67 3.38 -1.23 -1.47 115.31 117.88 1pgr h LEU 90 Ca 0.23 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1pgr h LEU 90 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1pgr h LEU 90 CO -0.25 0.11 -0.48 -0.61 0.09 0.00 0.00 178.44 177.30 1pgr h GLN 91 N 0.00 0.50 -0.93 1.13 5.75 -0.78 -3.20 115.11 117.58 1pgr h GLN 91 Ca -0.00 -0.40 0.13 0.00 -0.15 0.00 0.00 58.65 58.23 1pgr h GLN 91 Cb 0.25 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.81 1pgr h GLN 91 CO 0.01 1.04 0.59 0.00 -2.65 0.00 0.00 178.83 177.82 1pgr h ALA 92 N 0.46 1.71 0.00 3.38 0.00 -0.06 -1.05 119.26 123.70 1pgr h ALA 92 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pgr h ALA 92 Cb 1.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1pgr h ALA 92 CO 0.10 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1pgr n LEU 93 N -4.58 0.00 -3.47 0.00 4.77 -0.90 -4.79 117.00 108.03 1pgr n LEU 93 Ca 0.18 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.89 1pgr n LEU 93 Cb 0.42 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1pgr n LEU 93 CO 0.29 0.00 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.61 1pgr n GLU 94 N -0.91 -0.83 0.00 3.23 -0.58 -0.40 0.14 120.64 121.29 1pgr n GLU 94 Ca 0.00 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1pgr n GLU 94 Cb 0.00 -2.97 0.00 0.00 -0.57 0.00 0.00 31.44 27.90 1pgr n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pgr n GLY 95 N -0.95 3.16 5.00 0.62 0.00 -1.26 -4.67 105.19 107.09 1pgr n GLY 95 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pgr n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pgr n ILE 96 N -2.00 0.00 0.00 -0.61 5.41 0.12 -2.45 119.36 119.83 1pgr n ILE 96 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1pgr n ILE 96 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1pgr n ILE 96 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1pgr n SER 97 N 2.13 0.00 -0.31 4.38 3.41 -1.26 -4.77 113.62 117.21 1pgr n SER 97 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1pgr n SER 97 Cb 0.00 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.28 1pgr n SER 97 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1pgr h PRO 98 N 0.00 0.32 0.00 4.33 0.13 -1.97 0.56 132.00 135.37 1pgr h PRO 98 Ca 0.00 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1pgr h PRO 98 Cb 0.00 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.06 1pgr h PRO 98 CO 0.00 0.21 -0.09 0.93 -0.23 0.00 0.00 178.00 178.82 1pgr h GLU 99 N 0.33 0.00 0.00 0.86 4.39 -1.96 -3.21 114.58 114.99 1pgr h GLU 99 Ca 0.59 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.23 1pgr h GLU 99 Cb 1.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1pgr h GLU 99 CO -0.58 0.09 -1.80 1.28 -1.16 0.00 0.00 179.01 176.83 1pgr n LEU 100 N -3.54 0.00 -0.38 1.33 4.32 0.16 -4.71 117.00 114.18 1pgr n LEU 100 Ca -0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.95 1pgr n LEU 100 Cb 0.22 0.07 0.02 0.00 -1.62 0.00 0.00 43.42 42.11 1pgr n LEU 100 CO 0.28 0.07 0.57 1.23 -1.22 0.00 0.00 177.39 178.33 1pgr h GLY 101 N 2.97 -0.07 0.70 -0.72 0.00 -0.33 -0.28 103.07 105.34 1pgr h GLY 101 Ca -0.08 0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.83 1pgr h GLY 101 CO 0.00 -0.16 -0.14 -0.56 0.00 0.00 0.00 176.54 175.68 1pgr h PRO 102 N -0.01 -0.24 -0.31 4.80 0.13 -1.84 0.28 132.00 134.81 1pgr h PRO 102 Ca 0.32 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.51 1pgr h PRO 102 Cb 0.57 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.71 1pgr h PRO 102 CO -0.98 -0.16 0.06 1.15 -0.23 0.00 0.00 178.00 177.84 1pgr h THR 103 N -0.25 0.84 -0.51 1.56 2.02 -1.62 -0.98 112.91 113.99 1pgr h THR 103 Ca 0.04 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1pgr h THR 103 Cb 0.29 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1pgr h THR 103 CO -0.11 0.03 0.25 0.25 0.37 0.00 0.00 175.52 176.31 1pgr h LEU 104 N 0.17 0.66 -1.74 2.58 5.85 -0.86 -2.37 115.31 119.61 1pgr h LEU 104 Ca 0.15 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1pgr h LEU 104 Cb 0.16 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1pgr h LEU 104 CO -0.20 0.60 0.21 -0.78 -0.34 0.00 0.00 178.44 177.93 1pgr h ASP 105 N 0.68 0.30 0.43 1.25 3.58 0.33 0.11 116.42 123.11 1pgr h ASP 105 Ca 0.18 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 1pgr h ASP 105 Cb 0.11 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1pgr h ASP 105 CO -0.02 0.21 -0.21 0.74 -2.88 0.00 0.00 179.24 177.08 1pgr h THR 106 N 0.35 0.44 -0.89 2.25 2.02 -0.80 -1.39 112.91 114.90 1pgr h THR 106 Ca 0.13 -0.51 0.17 0.00 0.77 0.00 0.00 66.41 66.97 1pgr h THR 106 Cb 0.07 0.64 -0.10 0.00 -1.74 0.00 0.00 68.15 67.01 1pgr h THR 106 CO -0.03 0.07 0.46 0.25 0.37 0.00 0.00 175.52 176.64 1pgr h LEU 107 N -0.93 0.52 0.43 2.58 5.85 -0.83 -1.89 115.31 121.05 1pgr h LEU 107 Ca -0.06 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1pgr h LEU 107 Cb 0.57 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1pgr h LEU 107 CO 0.10 0.17 -0.21 -0.61 -0.34 0.00 0.00 178.44 177.55 1pgr h GLN 108 N 0.59 -0.56 -1.00 1.25 -0.00 -0.70 -1.95 115.11 112.73 1pgr h GLN 108 Ca 0.51 0.04 0.09 0.00 -0.00 0.00 0.00 58.65 59.29 1pgr h GLN 108 Cb 0.81 0.13 -0.07 0.00 0.00 0.00 0.00 27.48 28.34 1pgr h GLN 108 CO -0.41 -0.29 0.64 -0.07 0.00 0.00 0.00 178.83 178.70 1pgr h LEU 109 N -0.74 0.99 -1.00 -2.39 3.38 -0.86 0.18 115.31 114.87 1pgr h LEU 109 Ca -0.06 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1pgr h LEU 109 Cb 0.52 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1pgr h LEU 109 CO 0.10 0.59 -0.29 0.44 0.09 0.00 0.00 178.44 179.36 1pgr h ASP 110 N 1.10 0.37 0.43 -0.43 3.32 -1.26 -0.16 116.42 119.78 1pgr h ASP 110 Ca 0.46 -0.13 -0.22 0.00 0.02 0.00 0.00 57.03 57.17 1pgr h ASP 110 Cb 0.30 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1pgr h ASP 110 CO -0.21 0.65 -0.92 0.58 -1.72 0.00 0.00 179.24 177.62 1pgr h VAL 111 N 0.32 1.43 -0.14 -1.35 2.07 -0.49 -2.93 116.25 115.16 1pgr h VAL 111 Ca 0.04 -2.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.05 1pgr h VAL 111 Cb 0.68 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1pgr h VAL 111 CO 0.05 0.74 0.06 0.00 0.02 0.00 0.00 177.57 178.45 1pgr h ALA 112 N 0.82 0.18 0.07 1.67 0.00 -0.31 -2.18 119.26 119.52 1pgr h ALA 112 Ca -0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pgr h ALA 112 Cb 1.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1pgr h ALA 112 CO 0.15 -0.24 -0.03 -0.44 0.00 0.00 0.00 179.25 178.69 1pgr h ASP 113 N 0.09 -0.08 -0.99 0.00 3.32 -1.08 -1.83 116.42 115.86 1pgr h ASP 113 Ca 0.05 -0.03 0.13 0.00 0.02 0.00 0.00 57.03 57.20 1pgr h ASP 113 Cb 0.14 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.63 1pgr h ASP 113 CO -0.01 -0.02 0.61 0.15 -1.72 0.00 0.00 179.24 178.26 1pgr h PHE 114 N -0.13 1.11 -0.09 4.55 3.57 -1.47 0.27 116.94 124.74 1pgr h PHE 114 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1pgr h PHE 114 Cb 0.11 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 1pgr h PHE 114 CO -0.06 0.40 0.04 0.00 -2.23 0.00 0.00 178.31 176.46 1pgr h ALA 115 N 1.55 0.12 0.58 2.41 0.00 -1.07 -1.74 119.26 121.11 1pgr h ALA 115 Ca 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1pgr h ALA 115 Cb 0.55 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1pgr h ALA 115 CO -0.29 -0.31 -0.47 1.15 0.00 0.00 0.00 179.25 179.34 1pgr h THR 116 N 0.01 0.07 -0.71 0.00 2.02 -0.30 -0.47 112.91 113.53 1pgr h THR 116 Ca 0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.31 1pgr h THR 116 Cb 0.14 0.07 -0.12 0.00 -1.74 0.00 0.00 68.15 66.50 1pgr h THR 116 CO -0.00 0.00 -0.44 0.74 0.37 0.00 0.00 175.52 176.19 1pgr h THR 117 N -1.03 0.06 -0.95 3.16 2.02 -0.54 0.30 112.91 115.94 1pgr h THR 117 Ca -0.07 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.15 1pgr h THR 117 Cb 0.87 0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 1pgr h THR 117 CO -0.00 0.00 0.61 0.40 0.37 0.00 0.00 175.52 176.90 1pgr h ILE 118 N -0.16 1.13 -0.72 3.11 2.04 -1.07 -1.57 117.51 120.27 1pgr h ILE 118 Ca 0.21 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 1pgr h ILE 118 Cb 0.55 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1pgr h ILE 118 CO -0.77 0.21 0.20 -0.25 0.00 0.00 0.00 178.15 177.54 1pgr h TRP 119 N 1.16 1.18 -0.31 1.37 2.91 0.93 -2.14 115.95 121.05 1pgr h TRP 119 Ca 0.39 -0.13 -0.14 0.00 1.13 0.00 0.00 58.89 60.14 1pgr h TRP 119 Cb 0.05 -0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 28.36 1pgr h TRP 119 CO -0.01 0.94 -0.39 1.96 -1.03 0.00 0.00 178.44 179.91 1pgr h GLN 120 N 1.08 0.74 0.01 2.65 4.20 0.21 -2.09 115.11 121.91 1pgr h GLN 120 Ca 0.23 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 1pgr h GLN 120 Cb 0.34 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1pgr h GLN 120 CO -0.00 1.00 -0.00 0.37 -0.67 0.00 0.00 178.83 179.52 1pgr h GLN 121 N 0.60 -0.01 -0.74 1.46 5.75 -1.21 -1.29 115.11 119.67 1pgr h GLN 121 Ca 0.05 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.67 1pgr h GLN 121 Cb 0.94 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 29.40 1pgr h GLN 121 CO 0.09 0.21 0.33 0.52 -2.65 0.00 0.00 178.83 177.33 1pgr h MET 122 N -0.24 0.51 -0.45 1.69 2.86 -1.33 -0.68 114.93 117.29 1pgr h MET 122 Ca -0.00 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1pgr h MET 122 Cb 0.23 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1pgr h MET 122 CO 0.00 0.33 0.06 0.93 1.06 0.00 0.00 176.91 179.29 1pgr h GLU 123 N 0.52 0.76 0.00 1.72 5.08 -1.16 0.75 114.58 122.25 1pgr h GLU 123 Ca 0.39 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1pgr h GLU 123 Cb 0.52 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1pgr h GLU 123 CO -0.34 0.79 0.00 -0.85 -1.00 0.00 0.00 179.01 177.61 1pgr n GLU 124 N -4.44 0.19 -0.06 2.33 0.28 -0.51 -1.52 120.64 116.92 1pgr n GLU 124 Ca 0.00 0.44 0.09 0.00 -0.16 0.00 0.00 57.16 57.53 1pgr n GLU 124 Cb 0.26 -1.88 0.11 0.00 1.43 0.00 0.00 31.44 31.36 1pgr n GLU 124 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1pgr n LEU 125 N -2.24 2.68 -1.35 -1.84 4.77 -0.36 -4.95 117.00 113.71 1pgr n LEU 125 Ca 0.02 -1.22 -0.15 0.00 -0.03 0.00 0.00 56.01 54.63 1pgr n LEU 125 Cb 0.22 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1pgr n LEU 125 CO 0.19 0.53 -0.16 0.61 -1.33 0.00 0.00 177.39 177.23 1pgr n GLY 126 N 1.01 0.79 0.77 -0.72 0.00 -0.25 -4.88 105.19 101.92 1pgr n GLY 126 Ca 0.12 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1pgr n GLY 126 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pgr n MET 127 N -2.51 1.88 -2.14 1.61 2.00 0.24 -4.99 117.12 113.22 1pgr n MET 127 Ca -0.16 -1.56 -0.40 0.00 0.00 0.00 0.00 57.70 55.58 1pgr n MET 127 Cb 0.54 -1.46 -0.02 0.00 0.00 0.00 0.00 33.22 32.29 1pgr n MET 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pgr s ALA 128 N -2.15 3.37 0.30 3.04 0.00 -1.00 -4.73 121.76 120.60 1pgr s ALA 128 Ca 0.24 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 1pgr s ALA 128 Cb 0.19 -3.46 -0.12 0.00 0.00 0.00 0.00 23.12 19.72 1pgr s ALA 128 CO 0.40 -0.66 1.38 -2.30 0.00 0.00 0.00 175.76 174.58 1pgr n PRO 129 N 0.50 2.22 0.01 0.00 -0.02 -1.26 -4.89 135.00 131.56 1pgr n PRO 129 Ca 0.02 0.78 -0.10 0.00 -2.02 0.00 0.00 63.50 62.18 1pgr n PRO 129 Cb 0.43 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 1pgr n PRO 129 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pgr h ALA 130 N 3.43 -0.25 -2.50 3.55 0.00 -2.00 -3.37 119.26 118.11 1pgr h ALA 130 Ca -0.46 0.03 -0.56 0.00 0.00 0.00 0.00 54.91 53.92 1pgr h ALA 130 Cb 1.27 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 1pgr h ALA 130 CO 0.69 -0.72 0.28 -1.17 0.00 0.00 0.00 179.25 178.33 1pgr s LEU 131 N -10.42 4.27 0.09 0.00 2.96 -1.26 -5.03 118.68 109.30 1pgr s LEU 131 Ca -0.15 1.30 -0.23 0.00 -0.22 0.00 0.00 54.13 54.83 1pgr s LEU 131 Cb 0.10 -3.26 -0.07 0.00 0.50 0.00 0.00 46.19 43.46 1pgr s LEU 131 CO 0.67 -0.26 0.68 -1.10 -1.32 0.00 0.00 176.35 175.02 1pgr s GLN 132 N 1.39 4.41 0.30 1.98 -1.52 -1.26 -5.03 119.66 119.93 1pgr s GLN 132 Ca 0.41 0.95 -0.30 0.00 -1.95 0.00 0.00 55.36 54.47 1pgr s GLN 132 Cb -0.18 -3.28 -0.11 0.00 -0.22 0.00 0.00 33.01 29.21 1pgr s GLN 132 CO 0.18 0.51 1.60 -2.14 -0.25 0.00 0.00 175.29 175.19 1pgr s PRO 133 N -0.80 4.11 -0.03 2.91 0.02 -1.26 -5.05 135.00 134.91 1pgr s PRO 133 Ca 0.33 2.59 0.06 0.00 0.02 0.00 0.00 61.00 64.00 1pgr s PRO 133 Cb -0.21 -3.02 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 1pgr s PRO 133 CO 0.22 -0.64 -0.20 0.95 -0.33 0.00 0.00 177.00 177.00 1pgr s THR 134 N -0.04 1.58 0.58 0.99 -4.23 -1.26 -5.12 115.64 108.14 1pgr s THR 134 Ca 0.63 -0.83 -0.21 0.00 -1.18 0.00 0.00 61.69 60.10 1pgr s THR 134 Cb -0.48 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 1pgr s THR 134 CO 0.49 0.45 1.35 -1.58 -0.54 0.00 0.00 174.62 174.78 1pgr s GLN 135 N -0.29 2.93 0.12 3.99 2.00 -1.26 -5.02 119.66 122.13 1pgr s GLN 135 Ca 0.03 2.21 0.00 0.00 -2.00 0.00 0.00 55.36 55.60 1pgr s GLN 135 Cb -0.09 -2.12 0.02 0.00 0.80 0.00 0.00 33.01 31.62 1pgr s GLN 135 CO 0.00 -1.35 0.17 0.41 -0.50 0.00 0.00 175.29 174.03 1pgr n GLY 136 N 0.79 0.99 3.55 2.59 0.00 -1.26 -5.00 105.19 106.86 1pgr n GLY 136 Ca 0.12 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 1pgr n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgr s ALA 137 N -2.68 2.60 0.34 4.61 0.00 -1.26 -4.97 121.76 120.40 1pgr s ALA 137 Ca 0.11 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 50.71 1pgr s ALA 137 Cb -0.01 -4.25 -0.09 0.00 0.00 0.00 0.00 23.12 18.77 1pgr s ALA 137 CO 0.07 -3.41 1.19 -1.64 0.00 0.00 0.00 175.76 171.98 1pgr s MET 138 N 6.06 4.32 0.84 0.00 -1.94 -1.26 -4.99 119.30 122.33 1pgr s MET 138 Ca 0.46 1.95 -0.14 0.00 -1.71 0.00 0.00 55.69 56.24 1pgr s MET 138 Cb -0.10 -2.95 0.00 0.00 2.01 0.00 0.00 34.83 33.80 1pgr s MET 138 CO 0.18 -0.12 0.49 -2.30 -0.01 0.00 0.00 175.02 173.26 1pgr n PRO 139 N 0.63 0.02 -2.90 2.03 -0.02 -1.26 -4.93 135.00 128.56 1pgr n PRO 139 Ca 0.01 0.05 -0.43 0.00 -2.02 0.00 0.00 63.50 61.11 1pgr n PRO 139 Cb 0.44 -1.87 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 1pgr n PRO 139 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pgr s ALA 140 N -2.15 3.19 -1.00 3.55 0.00 -1.24 -4.90 121.76 119.21 1pgr s ALA 140 Ca 0.62 -2.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.53 1pgr s ALA 140 Cb -0.28 -3.84 0.29 0.00 0.00 0.00 0.00 23.12 19.29 1pgr s ALA 140 CO 0.62 -2.75 1.30 1.19 0.00 0.00 0.00 175.76 176.12 1pgr n PHE 141 N 7.37 2.80 0.13 0.00 3.72 -1.26 -4.82 117.46 125.40 1pgr n PHE 141 Ca -0.01 -3.02 -0.05 0.00 -0.05 0.00 0.00 57.45 54.32 1pgr n PHE 141 Cb 0.45 -1.16 -0.03 0.00 -0.94 0.00 0.00 39.48 37.81 1pgr n PHE 141 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pgr h ALA 142 N 5.31 -0.96 -2.26 4.37 0.00 -1.92 -3.41 119.26 120.39 1pgr h ALA 142 Ca 0.20 -0.08 -0.48 0.00 0.00 0.00 0.00 54.91 54.55 1pgr h ALA 142 Cb 0.65 0.13 0.05 0.00 0.00 0.00 0.00 17.79 18.62 1pgr h ALA 142 CO 1.20 -0.94 0.12 -1.54 0.00 0.00 0.00 179.25 178.10 1pgr s SER 143 N -2.73 5.84 0.24 0.00 1.04 -1.26 -4.90 113.70 111.93 1pgr s SER 143 Ca -0.05 0.74 -0.06 0.00 0.48 0.00 0.00 55.95 57.05 1pgr s SER 143 Cb 0.01 -1.86 0.44 0.00 0.10 0.00 0.00 66.02 64.70 1pgr s SER 143 CO 0.15 -0.86 1.67 0.00 0.98 0.00 0.00 173.24 175.17 1pgr h ALA 144 N 0.02 0.86 -0.25 5.32 0.00 -1.93 0.34 119.26 123.63 1pgr h ALA 144 Ca -0.46 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1pgr h ALA 144 Cb 1.24 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1pgr h ALA 144 CO 0.61 -0.38 -0.10 0.35 0.00 0.00 0.00 179.25 179.73 1pgr h PHE 145 N 0.20 0.42 -0.43 0.00 3.57 -1.96 -0.86 116.94 117.87 1pgr h PHE 145 Ca 0.40 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.75 1pgr h PHE 145 Cb 0.70 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1pgr h PHE 145 CO -0.32 0.50 -0.14 1.96 -2.23 0.00 0.00 178.31 178.08 1pgr h GLN 146 N 0.37 0.86 -0.79 1.11 4.20 -0.77 0.61 115.11 120.70 1pgr h GLN 146 Ca 0.07 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 1pgr h GLN 146 Cb 0.41 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1pgr h GLN 146 CO 0.02 0.98 0.31 0.00 -0.67 0.00 0.00 178.83 179.48 1pgr h ARG 147 N 0.69 1.18 -0.02 1.46 3.08 -0.55 1.12 114.38 121.35 1pgr h ARG 147 Ca 0.11 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1pgr h ARG 147 Cb 0.68 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1pgr h ARG 147 CO 0.05 0.96 -0.07 0.00 -1.07 0.00 0.00 179.97 179.84 1pgr h ARG 148 N 1.15 0.08 0.00 0.04 3.08 -1.01 0.15 114.38 117.87 1pgr h ARG 148 Ca 0.26 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 1pgr h ARG 148 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1pgr h ARG 148 CO -0.02 0.70 -0.37 0.00 -1.07 0.00 0.00 179.97 179.21 1pgr h ALA 149 N 0.39 1.25 -0.32 0.04 0.00 -0.86 -0.73 119.26 119.03 1pgr h ALA 149 Ca -0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1pgr h ALA 149 Cb 0.71 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1pgr h ALA 149 CO 0.02 0.47 0.01 0.78 0.00 0.00 0.00 179.25 180.52 1pgr h GLY 150 N 1.34 0.60 0.77 0.00 0.00 0.14 -1.76 103.07 104.16 1pgr h GLY 150 Ca -0.00 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 46.94 1pgr h GLY 150 CO 0.05 0.40 0.47 -1.33 0.00 0.00 0.00 176.54 176.12 1pgr h GLY 151 N 0.36 1.13 1.00 4.60 0.00 -0.19 0.86 103.07 110.83 1pgr h GLY 151 Ca 0.09 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1pgr h GLY 151 CO 0.01 0.25 -0.01 -2.08 0.00 0.00 0.00 176.54 174.72 1pgr h VAL 152 N 0.88 1.26 0.21 4.60 2.07 -0.92 -2.93 116.25 121.42 1pgr h VAL 152 Ca 0.33 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1pgr h VAL 152 Cb 0.11 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1pgr h VAL 152 CO -0.15 0.38 -0.10 -0.07 0.02 0.00 0.00 177.57 177.65 1pgr h LEU 153 N 0.71 -0.23 -0.58 2.57 3.38 -0.83 -2.54 115.31 117.79 1pgr h LEU 153 Ca 0.14 -0.29 0.11 0.00 0.09 0.00 0.00 57.88 57.93 1pgr h LEU 153 Cb 0.52 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 1pgr h LEU 153 CO 0.03 0.25 0.06 0.58 0.09 0.00 0.00 178.44 179.45 1pgr h VAL 154 N -0.82 0.59 -0.29 1.22 2.07 -0.96 0.45 116.25 118.52 1pgr h VAL 154 Ca -0.03 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1pgr h VAL 154 Cb 0.51 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1pgr h VAL 154 CO 0.05 0.03 0.12 0.00 0.02 0.00 0.00 177.57 177.79 1pgr h ALA 155 N 1.50 1.68 0.00 1.67 0.00 -1.57 0.79 119.26 123.32 1pgr h ALA 155 Ca 0.30 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1pgr h ALA 155 Cb 0.47 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1pgr h ALA 155 CO -0.44 0.26 -0.71 0.77 0.00 0.00 0.00 179.25 179.13 1pgr h SER 156 N 0.40 0.00 0.08 0.00 0.02 -0.54 -1.63 113.55 111.87 1pgr h SER 156 Ca 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1pgr h SER 156 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1pgr h SER 156 CO -0.01 0.71 -0.04 0.45 -1.14 0.00 0.00 176.83 176.80 1pgr h HIS 157 N 0.00 -0.10 -0.60 3.45 3.86 -0.36 -2.68 115.15 118.72 1pgr h HIS 157 Ca -0.01 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1pgr h HIS 157 Cb 1.39 0.03 -0.08 0.00 1.06 0.00 0.00 27.41 29.82 1pgr h HIS 157 CO 0.00 0.41 0.18 1.25 0.86 0.00 0.00 177.93 180.62 1pgr h LEU 158 N -0.68 0.11 -0.97 2.43 5.85 -0.89 -1.32 115.31 119.85 1pgr h LEU 158 Ca -0.01 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1pgr h LEU 158 Cb 0.55 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1pgr h LEU 158 CO 0.02 0.07 0.63 -0.61 -0.34 0.00 0.00 178.44 178.21 1pgr h GLN 159 N 0.33 1.28 -0.02 1.25 5.75 -1.27 -0.38 115.11 122.05 1pgr h GLN 159 Ca 0.31 -0.08 -0.15 0.00 -0.15 0.00 0.00 58.65 58.58 1pgr h GLN 159 Cb 0.43 -0.29 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1pgr h GLN 159 CO -0.36 0.86 -0.67 0.66 -2.65 0.00 0.00 178.83 176.67 1pgr h SER 160 N 1.32 0.12 -0.36 -0.69 4.64 -0.98 -1.86 113.55 115.74 1pgr h SER 160 Ca 0.35 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1pgr h SER 160 Cb -0.14 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1pgr h SER 160 CO -0.07 0.76 0.21 0.15 -0.87 0.00 0.00 176.83 177.00 1pgr h PHE 161 N 0.07 0.49 0.00 4.77 3.57 -0.37 -1.87 116.94 123.60 1pgr h PHE 161 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1pgr h PHE 161 Cb 1.19 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1pgr h PHE 161 CO 0.01 0.37 0.00 -0.07 -2.23 0.00 0.00 178.31 176.39 1pgr h LEU 162 N 0.46 0.00 -0.23 0.59 3.38 -1.00 -0.40 115.31 118.11 1pgr h LEU 162 Ca 0.13 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 1pgr h LEU 162 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1pgr h LEU 162 CO -0.02 0.00 -0.88 1.05 0.09 0.00 0.00 178.44 178.68 1pgr h GLU 163 N 0.00 0.43 0.02 1.13 4.11 -0.55 -2.03 114.58 117.70 1pgr h GLU 163 Ca 0.00 -0.43 -0.06 0.00 0.07 0.00 0.00 59.36 58.94 1pgr h GLU 163 Cb 0.63 0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.00 1pgr h GLU 163 CO 0.00 1.08 -0.23 0.28 0.07 0.00 0.00 179.01 180.21 1pgr h VAL 164 N 0.26 1.62 -0.79 -1.06 2.07 -1.09 -3.17 116.25 114.10 1pgr h VAL 164 Ca -0.07 -2.13 0.16 0.00 0.82 0.00 0.00 66.70 65.47 1pgr h VAL 164 Cb 1.50 3.02 -0.10 0.00 -1.52 0.00 0.00 31.29 34.19 1pgr h VAL 164 CO 0.15 0.57 0.33 0.28 0.02 0.00 0.00 177.57 178.93 1pgr h SER 165 N -0.66 0.31 -0.68 0.57 0.02 -1.15 0.68 113.55 112.64 1pgr h SER 165 Ca -0.03 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1pgr h SER 165 Cb 1.07 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 1pgr h SER 165 CO 0.04 0.10 0.42 0.22 -1.14 0.00 0.00 176.83 176.47 1pgr h TYR 166 N 0.45 0.89 0.25 3.45 3.20 -1.42 -0.97 116.97 122.83 1pgr h TYR 166 Ca 0.44 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.31 1pgr h TYR 166 Cb 0.70 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1pgr h TYR 166 CO -0.16 0.59 -0.12 0.00 -1.64 0.00 0.00 178.16 176.83 1pgr h ARG 167 N 0.94 -0.32 -0.56 1.82 3.08 -0.86 0.29 114.38 118.77 1pgr h ARG 167 Ca 0.25 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 1pgr h ARG 167 Cb -0.05 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1pgr h ARG 167 CO -0.05 -0.08 0.35 -0.39 -1.07 0.00 0.00 179.97 178.73 1pgr h VAL 168 N -0.52 1.16 -0.45 2.04 -1.51 -1.10 -1.99 116.25 113.89 1pgr h VAL 168 Ca -0.03 -0.34 -0.07 0.00 -1.23 0.00 0.00 66.70 65.02 1pgr h VAL 168 Cb 0.39 0.38 -0.02 0.00 -2.13 0.00 0.00 31.29 29.92 1pgr h VAL 168 CO 0.06 0.16 0.01 -0.07 -1.23 0.00 0.00 177.57 176.50 1pgr h LEU 169 N 0.75 0.76 -1.57 4.19 3.38 -1.14 -2.43 115.31 119.26 1pgr h LEU 169 Ca 0.20 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1pgr h LEU 169 Cb -0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1pgr h LEU 169 CO -0.04 0.88 0.12 -0.09 0.09 0.00 0.00 178.44 179.40 1pgr h ARG 170 N 0.63 0.40 0.09 1.13 2.43 -0.17 -0.50 114.38 118.39 1pgr h ARG 170 Ca 0.13 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1pgr h ARG 170 Cb 0.48 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1pgr h ARG 170 CO 0.02 0.34 -0.04 1.25 -1.51 0.00 0.00 179.97 180.03 1pgr h HIS 171 N 0.41 -0.11 0.24 2.20 2.76 -0.89 -3.24 115.15 116.52 1pgr h HIS 171 Ca 0.10 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1pgr h HIS 171 Cb 0.08 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1pgr h HIS 171 CO 0.00 0.11 -0.15 -0.07 -1.30 0.00 0.00 177.93 176.52 1pgr h LEU 172 N -0.32 -0.38 -8.44 0.26 3.38 -1.17 -3.37 115.31 105.26 1pgr h LEU 172 Ca -0.01 0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.64 1pgr h LEU 172 Cb 0.27 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1pgr h LEU 172 CO 0.02 -0.23 1.04 0.00 0.09 0.00 0.00 178.44 179.36 1pgr s ALA 173 N -3.96 1.58 -0.60 1.53 0.00 -0.23 -4.90 121.76 115.18 1pgr s ALA 173 Ca -0.06 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 1pgr s ALA 173 Cb 0.01 -4.43 0.13 0.00 0.00 0.00 0.00 23.12 18.83 1pgr s ALA 173 CO 0.18 -4.69 0.62 -0.65 0.00 0.00 0.00 175.76 171.22 1pgr s GLN 174 N 7.82 3.10 0.00 0.00 -1.52 -1.26 -4.71 119.66 123.09 1pgr s GLN 174 Ca 0.83 -1.66 0.07 0.00 -1.95 0.00 0.00 55.36 52.65 1pgr s GLN 174 Cb -0.13 -4.32 0.42 0.00 -0.22 0.00 0.00 33.01 28.76 1pgr s GLN 174 CO 0.15 -1.42 0.88 -2.30 -0.25 0.00 0.00 175.29 172.36