#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgr h PRO 6 N 0.00 0.61 -6.57 1.61 0.11 -1.73 -3.42 132.00 122.61 1pgr h PRO 6 Ca 0.00 -0.04 -0.59 0.00 0.11 0.00 0.00 66.00 65.48 1pgr h PRO 6 Cb 0.00 -0.14 0.09 0.00 0.11 0.00 0.00 31.00 31.06 1pgr h PRO 6 CO 0.00 0.40 0.53 0.00 -0.21 0.00 0.00 178.00 178.73 1pgr n ALA 7 N -2.42 0.85 -3.19 -0.75 0.00 -1.26 -4.88 120.51 108.86 1pgr n ALA 7 Ca 0.21 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.93 1pgr n ALA 7 Cb 0.61 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.77 1pgr n ALA 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pgr s SER 8 N 0.13 -0.31 0.00 0.00 0.15 -1.26 -4.81 113.70 107.60 1pgr s SER 8 Ca 0.66 0.03 0.30 0.00 0.70 0.00 0.00 55.95 57.64 1pgr s SER 8 Cb -0.66 0.44 1.42 0.00 -1.71 0.00 0.00 66.02 65.50 1pgr s SER 8 CO 0.52 -0.68 1.99 -1.54 1.20 0.00 0.00 173.24 174.73 1pgr n SER 9 N 0.48 0.12 -4.29 5.45 3.41 -1.26 -4.73 113.62 112.79 1pgr n SER 9 Ca -0.18 -0.22 -0.32 0.00 -0.26 0.00 0.00 58.87 57.89 1pgr n SER 9 Cb 0.60 -0.23 -0.16 0.00 -0.26 0.00 0.00 64.21 64.16 1pgr n SER 9 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pgr s LEU 10 N -2.58 2.20 0.35 1.04 1.43 -1.26 -5.06 118.68 114.81 1pgr s LEU 10 Ca 0.28 -0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 1pgr s LEU 10 Cb 0.20 -1.42 -0.11 0.00 0.03 0.00 0.00 46.19 44.89 1pgr s LEU 10 CO 0.47 0.24 1.46 -2.84 0.23 0.00 0.00 176.35 175.91 1pgr s PRO 11 N -0.11 4.17 0.50 1.29 0.02 -1.26 -4.88 135.00 134.72 1pgr s PRO 11 Ca -0.04 2.48 0.21 0.00 0.02 0.00 0.00 61.00 63.67 1pgr s PRO 11 Cb -0.14 -3.00 1.29 0.00 0.02 0.00 0.00 34.50 32.67 1pgr s PRO 11 CO 0.04 -0.46 2.07 0.37 -0.33 0.00 0.00 177.00 178.68 1pgr h GLN 12 N 3.38 0.00 -0.10 5.54 5.75 -1.98 -2.08 115.11 125.62 1pgr h GLN 12 Ca -0.50 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 57.84 1pgr h GLN 12 Cb 1.23 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 1pgr h GLN 12 CO 0.67 0.13 -0.64 0.66 -2.65 0.00 0.00 178.83 176.99 1pgr h SER 13 N 0.00 0.44 0.18 -0.69 4.64 -1.99 -2.33 113.55 113.79 1pgr h SER 13 Ca -0.00 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1pgr h SER 13 Cb 0.27 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1pgr h SER 13 CO 0.02 0.96 -0.08 0.15 -0.87 0.00 0.00 176.83 177.00 1pgr h PHE 14 N 0.27 -0.22 -0.51 4.77 3.57 -1.76 0.19 116.94 123.26 1pgr h PHE 14 Ca -0.01 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.56 1pgr h PHE 14 Cb 1.18 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 1pgr h PHE 14 CO 0.04 -0.08 0.34 -0.07 -2.23 0.00 0.00 178.31 176.31 1pgr h LEU 15 N -0.31 0.32 -0.10 0.59 3.38 -1.47 -0.35 115.31 117.37 1pgr h LEU 15 Ca -0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1pgr h LEU 15 Cb 0.24 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1pgr h LEU 15 CO 0.04 0.21 -0.50 -0.07 0.09 0.00 0.00 178.44 178.20 1pgr h LEU 16 N 0.37 0.62 -0.88 1.67 4.07 -0.86 -2.10 115.31 118.20 1pgr h LEU 16 Ca 0.23 -0.64 -0.03 0.00 0.08 0.00 0.00 57.88 57.52 1pgr h LEU 16 Cb 0.42 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.94 1pgr h LEU 16 CO -0.06 1.16 0.43 0.11 -1.08 0.00 0.00 178.44 179.01 1pgr h LYS 17 N 0.12 1.24 -0.29 1.13 1.57 -0.62 -1.18 116.57 118.55 1pgr h LYS 17 Ca -0.03 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1pgr h LYS 17 Cb 1.15 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1pgr h LYS 17 CO 0.10 0.94 0.15 0.00 -0.57 0.00 0.00 179.45 180.07 1pgr h LEU 19 N 0.31 0.30 -0.66 0.00 3.38 -1.06 -0.41 115.31 117.17 1pgr h LEU 19 Ca 0.12 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1pgr h LEU 19 Cb 0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1pgr h LEU 19 CO -0.07 0.33 -0.67 -0.08 0.09 0.00 0.00 178.44 178.04 1pgr h GLU 20 N 0.33 0.02 -0.01 1.13 4.81 -0.51 -2.46 114.58 117.89 1pgr h GLU 20 Ca 0.08 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.10 1pgr h GLU 20 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1pgr h GLU 20 CO -0.00 0.68 -0.86 1.96 -0.73 0.00 0.00 179.01 180.06 1pgr h GLN 21 N 0.01 0.27 -0.07 1.92 4.20 0.04 -2.37 115.11 119.12 1pgr h GLN 21 Ca -0.01 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1pgr h GLN 21 Cb 1.18 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 1pgr h GLN 21 CO 0.09 0.97 0.02 0.28 -0.67 0.00 0.00 178.83 179.52 1pgr h VAL 22 N 0.16 1.19 -0.84 -0.54 2.07 -0.95 0.39 116.25 117.72 1pgr h VAL 22 Ca -0.05 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 66.96 1pgr h VAL 22 Cb 1.47 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 32.63 1pgr h VAL 22 CO 0.14 0.16 0.51 0.03 0.02 0.00 0.00 177.57 178.43 1pgr h ARG 23 N -0.11 0.90 -0.10 1.57 3.08 -1.47 0.28 114.38 118.54 1pgr h ARG 23 Ca 0.02 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1pgr h ARG 23 Cb 0.24 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1pgr h ARG 23 CO 0.00 0.59 0.02 -0.22 -1.07 0.00 0.00 179.97 179.29 1pgr h LYS 24 N 0.92 0.16 -0.48 0.04 1.63 -1.16 -2.62 116.57 115.07 1pgr h LYS 24 Ca 0.38 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 60.06 1pgr h LYS 24 Cb 0.21 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1pgr h LYS 24 CO -0.19 0.36 -0.02 0.82 -3.45 0.00 0.00 179.45 176.97 1pgr h ILE 25 N -0.07 1.25 0.00 2.00 2.04 -0.57 -1.85 117.51 120.31 1pgr h ILE 25 Ca 0.03 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 1pgr h ILE 25 Cb 0.28 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1pgr h ILE 25 CO 0.00 0.37 -0.00 1.56 0.00 0.00 0.00 178.15 180.08 1pgr h GLN 26 N 0.75 0.00 0.04 2.37 4.20 -0.29 0.05 115.11 122.23 1pgr h GLN 26 Ca 0.14 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.57 1pgr h GLN 26 Cb 0.49 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1pgr h GLN 26 CO 0.02 0.00 -1.48 0.78 -0.67 0.00 0.00 178.83 177.49 1pgr h GLY 27 N 0.02 0.10 0.86 3.46 0.00 -1.01 -2.69 103.07 103.81 1pgr h GLY 27 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1pgr h GLY 27 CO 0.00 0.22 -0.15 -0.55 0.00 0.00 0.00 176.54 176.06 1pgr h ASP 28 N 0.02 -0.36 -0.64 0.19 3.32 -0.52 0.32 116.42 118.76 1pgr h ASP 28 Ca -0.21 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 56.79 1pgr h ASP 28 Cb 1.95 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 41.56 1pgr h ASP 28 CO 0.12 -0.14 0.42 1.23 -1.72 0.00 0.00 179.24 179.15 1pgr h GLY 29 N -0.58 0.87 0.98 2.75 0.00 -1.15 0.18 103.07 106.13 1pgr h GLY 29 Ca -0.04 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1pgr h GLY 29 CO 0.07 0.28 0.01 0.00 0.00 0.00 0.00 176.54 176.90 1pgr h ALA 30 N 1.62 0.60 -0.61 3.60 0.00 -1.13 0.22 119.26 123.56 1pgr h ALA 30 Ca 0.25 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pgr h ALA 30 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1pgr h ALA 30 CO -0.06 0.39 0.40 0.00 0.00 0.00 0.00 179.25 179.97 1pgr h ALA 31 N 0.91 0.78 0.26 0.00 0.00 0.19 -0.94 119.26 120.46 1pgr h ALA 31 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pgr h ALA 31 Cb 0.48 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1pgr h ALA 31 CO 0.02 0.19 -0.12 1.25 0.00 0.00 0.00 179.25 180.59 1pgr h LEU 32 N 0.81 -0.29 -1.63 0.00 5.85 -0.33 -1.84 115.31 117.88 1pgr h LEU 32 Ca 0.23 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1pgr h LEU 32 Cb -0.07 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1pgr h LEU 32 CO -0.06 -0.17 0.00 1.56 -0.34 0.00 0.00 178.44 179.43 1pgr h GLN 33 N -0.38 0.00 0.16 1.25 4.20 -0.26 -1.18 115.11 118.91 1pgr h GLN 33 Ca -0.04 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.41 1pgr h GLN 33 Cb 0.29 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.09 1pgr h GLN 33 CO 0.06 0.00 -1.27 1.49 -0.67 0.00 0.00 178.83 178.44 1pgr h GLU 34 N 0.00 0.35 0.25 1.46 4.22 -0.63 -3.17 114.58 117.06 1pgr h GLU 34 Ca 0.00 -0.60 0.00 0.00 0.08 0.00 0.00 59.36 58.85 1pgr h GLU 34 Cb 0.12 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1pgr h GLU 34 CO 0.00 1.29 -0.27 -0.22 -2.18 0.00 0.00 179.01 177.63 1pgr h LYS 35 N -0.18 -0.54 -0.13 1.92 1.63 -0.44 0.24 116.57 119.08 1pgr h LYS 35 Ca -0.24 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.63 1pgr h LYS 35 Cb 1.85 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 33.60 1pgr h LYS 35 CO 0.15 -0.36 0.11 -0.07 -3.45 0.00 0.00 179.45 175.83 1pgr h LEU 36 N -0.56 0.00 0.00 5.20 3.38 -1.48 0.30 115.31 122.15 1pgr h LEU 36 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1pgr h LEU 36 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1pgr h LEU 36 CO -0.07 0.00 -1.24 0.00 0.09 0.00 0.00 178.44 177.22 1pgr h ALA 38 N 1.64 0.27 0.00 0.00 0.00 -0.22 -2.82 119.26 118.13 1pgr h ALA 38 Ca -0.10 -1.19 -0.01 0.00 0.00 0.00 0.00 54.91 53.61 1pgr h ALA 38 Cb 1.36 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1pgr h ALA 38 CO 0.03 1.13 -0.09 1.15 0.00 0.00 0.00 179.25 181.47 1pgr h THR 39 N 0.08 0.97 -0.37 0.00 2.02 -0.60 -3.39 112.91 111.62 1pgr h THR 39 Ca -0.32 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.10 1pgr h THR 39 Cb 2.06 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 1pgr h THR 39 CO 0.15 0.33 0.00 -1.22 0.37 0.00 0.00 175.52 175.15 1pgr n TYR 40 N -4.67 1.28 -3.41 3.16 4.01 -1.01 -4.96 117.16 111.57 1pgr n TYR 40 Ca -0.07 -0.81 -0.22 0.00 -0.16 0.00 0.00 57.90 56.64 1pgr n TYR 40 Cb 0.29 -0.36 -0.04 0.00 -0.31 0.00 0.00 39.34 38.93 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 -0.06 -1.64 -3.36 -0.72 4.76 -1.06 -4.84 118.16 111.24 1pgr n LYS 41 Ca 0.23 0.07 -0.45 0.00 -2.87 0.00 0.00 58.31 55.29 1pgr n LYS 41 Cb 0.96 -4.19 -0.02 0.00 -1.84 0.00 0.00 35.03 29.95 1pgr n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pgr s LEU 42 N -5.73 6.47 0.00 -0.35 1.43 -1.03 -4.91 118.68 114.55 1pgr s LEU 42 Ca 0.43 -3.18 0.17 0.00 -1.03 0.00 0.00 54.13 50.52 1pgr s LEU 42 Cb -0.25 -2.19 -0.11 0.00 0.03 0.00 0.00 46.19 43.68 1pgr s LEU 42 CO 0.53 -0.41 0.78 0.00 0.23 0.00 0.00 176.35 177.48 1pgr s HIS 44 N -2.32 1.44 0.59 0.00 3.76 -1.26 -4.98 115.29 112.52 1pgr s HIS 44 Ca 0.10 -1.77 0.30 0.00 -0.15 0.00 0.00 55.06 53.53 1pgr s HIS 44 Cb 0.13 -1.53 1.40 0.00 1.11 0.00 0.00 32.58 33.69 1pgr s HIS 44 CO 0.57 -0.84 1.79 -1.00 -0.85 0.00 0.00 174.74 174.41 1pgr h PRO 45 N 7.65 0.00 -0.58 8.40 0.13 -1.89 -0.83 132.00 144.88 1pgr h PRO 45 Ca -0.09 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.16 1pgr h PRO 45 Cb 0.99 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.01 1pgr h PRO 45 CO 0.44 0.00 -0.07 0.93 -0.23 0.00 0.00 178.00 179.07 1pgr h GLU 46 N 0.00 0.05 -0.77 0.86 3.07 -1.97 0.25 114.58 116.07 1pgr h GLU 46 Ca 0.31 -0.00 0.21 0.00 -0.50 0.00 0.00 59.36 59.37 1pgr h GLU 46 Cb 1.61 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.47 1pgr h GLU 46 CO -0.00 0.04 0.54 0.93 -1.40 0.00 0.00 179.01 179.12 1pgr h GLU 47 N 0.06 0.11 -0.45 2.33 5.08 -1.59 0.86 114.58 120.98 1pgr h GLU 47 Ca 0.29 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1pgr h GLU 47 Cb 0.45 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1pgr h GLU 47 CO -0.54 0.07 0.00 1.28 -1.00 0.00 0.00 179.01 178.82 1pgr n LEU 48 N -4.37 2.43 -0.35 1.33 4.77 0.88 -4.63 117.00 117.06 1pgr n LEU 48 Ca 0.16 -1.21 -0.07 0.00 -0.03 0.00 0.00 56.01 54.85 1pgr n LEU 48 Cb 0.77 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1pgr n LEU 48 CO 0.36 0.60 0.54 1.62 -1.33 0.00 0.00 177.39 179.18 1pgr h VAL 49 N 2.63 0.02 -0.40 4.08 3.04 -0.72 -1.09 116.25 123.81 1pgr h VAL 49 Ca 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 1pgr h VAL 49 Cb 0.61 0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 1pgr h VAL 49 CO 0.00 0.00 0.10 -0.07 -1.01 0.00 0.00 177.57 176.59 1pgr h LEU 50 N -0.06 0.55 -2.39 3.16 3.38 -1.85 -1.16 115.31 116.93 1pgr h LEU 50 Ca 0.22 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1pgr h LEU 50 Cb 0.51 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1pgr h LEU 50 CO -0.89 0.55 0.20 -0.07 0.09 0.00 0.00 178.44 178.32 1pgr h LEU 51 N 0.58 0.00 -0.27 1.67 3.38 -1.54 0.72 115.31 119.85 1pgr h LEU 51 Ca 0.14 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1pgr h LEU 51 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1pgr h LEU 51 CO -0.00 0.00 -0.00 1.23 0.09 0.00 0.00 178.44 179.75 1pgr h GLY 52 N 0.00 0.26 0.43 0.83 0.00 -1.15 0.12 103.07 103.57 1pgr h GLY 52 Ca 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1pgr h GLY 52 CO -0.00 -0.06 -0.12 0.45 0.00 0.00 0.00 176.54 176.81 1pgr h HIS 53 N 0.08 0.16 -0.86 5.60 3.86 -1.04 -1.08 115.15 121.86 1pgr h HIS 53 Ca 0.13 -0.07 0.19 0.00 -1.16 0.00 0.00 60.37 59.46 1pgr h HIS 53 Cb 0.17 -0.02 -0.11 0.00 1.06 0.00 0.00 27.41 28.51 1pgr h HIS 53 CO -0.21 0.79 0.37 0.77 0.86 0.00 0.00 177.93 180.51 1pgr h SER 54 N -0.52 0.33 0.89 2.45 0.02 -1.28 -1.82 113.55 113.62 1pgr h SER 54 Ca -0.01 0.14 -0.16 0.00 -0.84 0.00 0.00 61.79 60.91 1pgr h SER 54 Cb 0.81 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 1pgr h SER 54 CO 0.03 0.05 -1.20 -0.07 -1.14 0.00 0.00 176.83 174.50 1pgr h LEU 55 N 0.44 0.00 -0.36 5.07 3.38 -0.83 -3.49 115.31 119.52 1pgr h LEU 55 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 1pgr h LEU 55 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1pgr h LEU 55 CO -0.49 0.61 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1pgr n GLY 56 N 1.36 0.95 3.58 0.83 0.00 -0.59 -4.36 105.19 106.96 1pgr n GLY 56 Ca -0.07 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.36 3.34 0.31 -0.61 -1.09 -0.51 -4.65 121.20 115.63 1pgr s ILE 57 Ca 0.00 0.29 -0.29 0.00 -2.23 0.00 0.00 60.65 58.42 1pgr s ILE 57 Cb 0.00 -3.61 -0.10 0.00 -1.58 0.00 0.00 42.46 37.17 1pgr s ILE 57 CO 0.00 -0.50 1.30 -2.84 -1.23 0.00 0.00 174.94 171.67 1pgr s PRO 58 N 6.54 4.37 0.56 2.79 0.02 -1.26 -4.91 135.00 143.11 1pgr s PRO 58 Ca 0.79 2.18 0.09 0.00 0.02 0.00 0.00 61.00 64.08 1pgr s PRO 58 Cb -0.19 -3.09 0.08 0.00 0.02 0.00 0.00 34.50 31.32 1pgr s PRO 58 CO 0.28 -0.18 0.78 1.67 -0.33 0.00 0.00 177.00 179.22 1pgr s TRP 59 N -0.99 1.63 -0.07 6.54 1.48 -1.26 -5.01 118.94 121.26 1pgr s TRP 59 Ca 0.50 -0.64 -0.00 0.00 -1.06 0.00 0.00 56.10 54.90 1pgr s TRP 59 Cb -0.39 -2.30 0.02 0.00 -1.16 0.00 0.00 33.47 29.64 1pgr s TRP 59 CO 0.50 -1.10 -0.03 0.00 -4.06 0.00 0.00 176.95 172.26 1pgr s ALA 60 N -2.66 0.84 0.60 2.67 0.00 -1.26 -5.08 121.76 116.86 1pgr s ALA 60 Ca 0.61 -0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.28 1pgr s ALA 60 Cb -0.06 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1pgr s ALA 60 CO 0.39 -0.30 0.97 -1.25 0.00 0.00 0.00 175.76 175.57 1pgr s PRO 61 N 1.57 3.38 -0.05 0.00 0.04 -1.26 -4.94 135.00 133.75 1pgr s PRO 61 Ca -0.00 0.49 0.17 0.00 0.04 0.00 0.00 61.00 61.70 1pgr s PRO 61 Cb -0.13 -2.16 0.31 0.00 0.04 0.00 0.00 34.50 32.56 1pgr s PRO 61 CO -0.04 -0.59 1.14 1.28 0.04 0.00 0.00 177.00 178.83 1pgr n LEU 62 N -2.67 0.31 -0.13 -3.56 4.77 -1.26 -4.79 117.00 109.68 1pgr n LEU 62 Ca 0.05 -2.19 0.12 0.00 -0.03 0.00 0.00 56.01 53.96 1pgr n LEU 62 Cb 0.55 0.06 0.47 0.00 -2.33 0.00 0.00 43.42 42.17 1pgr n LEU 62 CO 0.56 0.93 1.20 0.77 -1.33 0.00 0.00 177.39 179.52 1pgr h SER 63 N 0.88 0.43 0.61 -1.43 4.64 -1.98 0.73 113.55 117.42 1pgr h SER 63 Ca -0.34 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1pgr h SER 63 Cb 1.65 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1pgr h SER 63 CO -0.03 0.25 0.00 -1.20 -0.87 0.00 0.00 176.83 174.99 1pgr n SER 64 N -4.48 0.00 0.07 4.97 7.64 -1.26 -3.78 113.62 116.78 1pgr n SER 64 Ca 0.11 0.21 -0.14 0.00 1.01 0.00 0.00 58.87 60.07 1pgr n SER 64 Cb 0.39 -0.39 -0.14 0.00 -1.01 0.00 0.00 64.21 63.07 1pgr n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pgr n PRO 66 N -3.42 3.26 -0.91 0.00 -0.02 -1.25 -4.66 135.00 128.01 1pgr n PRO 66 Ca -0.10 -2.07 0.00 0.00 -2.02 0.00 0.00 63.50 59.31 1pgr n PRO 66 Cb 1.01 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1pgr n PRO 66 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1pgr n SER 67 N 2.77 0.00 -0.57 2.55 7.64 -1.25 -5.13 113.62 119.63 1pgr n SER 67 Ca 0.64 -0.60 0.07 0.00 1.01 0.00 0.00 58.87 60.00 1pgr n SER 67 Cb 0.45 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.63 1pgr n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pgr n GLN 68 N 0.00 -1.07 0.00 1.43 1.13 -1.26 -5.02 117.38 112.59 1pgr n GLN 68 Ca 0.00 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 55.76 1pgr n GLN 68 Cb 0.00 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.05 1pgr n GLN 68 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pgr n ALA 69 N -1.37 0.00 0.38 -1.58 0.00 -1.26 -4.86 120.51 111.82 1pgr n ALA 69 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1pgr n ALA 69 Cb 0.24 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.71 1pgr n ALA 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pgr n LEU 70 N 0.00 0.63 -4.15 0.00 0.00 -1.26 -4.37 117.00 107.85 1pgr n LEU 70 Ca 0.00 0.12 -0.34 0.00 0.00 0.00 0.00 56.01 55.78 1pgr n LEU 70 Cb 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 43.42 43.19 1pgr n LEU 70 CO 0.00 -0.04 -0.36 -1.10 0.00 0.00 0.00 177.39 175.89 1pgr s GLN 71 N -3.27 2.34 -0.31 1.96 -0.21 -1.26 -4.39 119.66 114.52 1pgr s GLN 71 Ca 0.02 -1.33 0.17 0.00 0.02 0.00 0.00 55.36 54.23 1pgr s GLN 71 Cb 0.13 -3.16 0.45 0.00 1.00 0.00 0.00 33.01 31.43 1pgr s GLN 71 CO 0.80 -0.65 1.35 1.47 -2.12 0.00 0.00 175.29 176.13 1pgr n LEU 72 N 4.58 -0.25 0.12 2.90 -0.00 -1.26 -4.26 117.00 118.84 1pgr n LEU 72 Ca -0.12 -3.19 0.01 0.00 -0.00 0.00 0.00 56.01 52.71 1pgr n LEU 72 Cb 0.43 0.24 -0.01 0.00 -0.00 0.00 0.00 43.42 44.09 1pgr n LEU 72 CO 0.26 1.47 0.40 0.00 -0.00 0.00 0.00 177.39 179.52 1pgr h ALA 73 N 1.76 0.61 -0.12 1.47 0.00 -1.96 -2.69 119.26 118.33 1pgr h ALA 73 Ca -0.31 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 1pgr h ALA 73 Cb 1.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1pgr h ALA 73 CO -0.01 0.75 0.04 0.78 0.00 0.00 0.00 179.25 180.82 1pgr h GLY 74 N 3.40 0.20 1.08 0.00 0.00 -1.91 0.12 103.07 105.95 1pgr h GLY 74 Ca -0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 1pgr h GLY 74 CO 0.08 0.11 0.06 0.00 0.00 0.00 0.00 176.54 176.78 1pgr h LEU 76 N 1.01 0.00 -0.05 0.00 3.38 -1.20 -1.13 115.31 117.32 1pgr h LEU 76 Ca 0.19 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.94 1pgr h LEU 76 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1pgr h LEU 76 CO 0.02 0.23 -1.03 0.28 0.09 0.00 0.00 178.44 178.03 1pgr h SER 77 N 0.00 0.17 -0.05 -0.43 0.02 -0.38 -2.60 113.55 110.27 1pgr h SER 77 Ca -0.00 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 1pgr h SER 77 Cb 0.43 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1pgr h SER 77 CO 0.03 1.09 -0.15 1.56 -1.14 0.00 0.00 176.83 178.22 1pgr h GLN 78 N 0.04 0.20 -0.32 3.45 4.20 -0.95 -2.02 115.11 119.71 1pgr h GLN 78 Ca -0.05 -0.14 0.07 0.00 0.06 0.00 0.00 58.65 58.59 1pgr h GLN 78 Cb 1.75 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 29.48 1pgr h GLN 78 CO 0.15 0.75 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.86 1pgr h LEU 79 N -0.33 -0.45 0.02 1.46 3.38 -1.29 0.38 115.31 118.48 1pgr h LEU 79 Ca -0.00 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1pgr h LEU 79 Cb 0.76 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1pgr h LEU 79 CO 0.03 -0.16 -0.01 -0.74 0.09 0.00 0.00 178.44 177.65 1pgr h HIS 80 N -0.07 -0.03 -0.20 1.13 2.76 -1.51 -0.96 115.15 116.27 1pgr h HIS 80 Ca 0.16 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1pgr h HIS 80 Cb 0.32 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1pgr h HIS 80 CO -0.34 0.08 -0.15 0.66 -1.30 0.00 0.00 177.93 176.88 1pgr h SER 81 N -0.13 0.31 -0.07 3.26 4.64 -0.96 0.45 113.55 121.06 1pgr h SER 81 Ca -0.00 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1pgr h SER 81 Cb 0.12 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1pgr h SER 81 CO 0.00 0.49 0.00 1.23 -0.87 0.00 0.00 176.83 177.69 1pgr h GLY 82 N 0.85 0.14 1.46 -0.77 0.00 -0.09 0.54 103.07 105.20 1pgr h GLY 82 Ca 0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1pgr h GLY 82 CO 0.03 0.09 -0.08 1.41 0.00 0.00 0.00 176.54 177.99 1pgr h LEU 83 N -0.15 0.63 -1.46 3.11 3.38 -0.79 -1.86 115.31 118.17 1pgr h LEU 83 Ca 0.02 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1pgr h LEU 83 Cb 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1pgr h LEU 83 CO 0.00 0.75 -0.14 0.15 0.09 0.00 0.00 178.44 179.29 1pgr h PHE 84 N 0.60 0.19 -0.03 1.13 3.57 0.30 -1.56 116.94 121.13 1pgr h PHE 84 Ca 0.11 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1pgr h PHE 84 Cb 0.49 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1pgr h PHE 84 CO 0.02 0.32 -0.13 1.25 -2.23 0.00 0.00 178.31 177.55 1pgr h LEU 85 N 0.17 0.17 -1.82 0.59 5.85 -0.09 -2.87 115.31 117.31 1pgr h LEU 85 Ca 0.03 -0.63 -0.02 0.00 0.84 0.00 0.00 57.88 58.10 1pgr h LEU 85 Cb 0.36 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1pgr h LEU 85 CO 0.02 0.78 -0.12 1.88 -0.34 0.00 0.00 178.44 180.66 1pgr h TYR 86 N -0.42 0.00 -0.30 1.25 0.05 -1.25 0.20 116.97 116.49 1pgr h TYR 86 Ca -0.01 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.64 1pgr h TYR 86 Cb 0.76 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 1pgr h TYR 86 CO 0.14 0.12 -0.35 0.37 -1.05 0.00 0.00 178.16 177.38 1pgr h GLN 87 N 0.00 0.68 -0.17 4.88 4.15 -1.27 -2.22 115.11 121.17 1pgr h GLN 87 Ca -0.00 -0.33 -0.10 0.00 0.77 0.00 0.00 58.65 58.99 1pgr h GLN 87 Cb 0.39 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1pgr h GLN 87 CO 0.02 0.93 -0.29 0.78 -1.93 0.00 0.00 178.83 178.34 1pgr h GLY 88 N 0.98 0.55 0.98 2.39 0.00 -0.46 -2.76 103.07 104.75 1pgr h GLY 88 Ca 0.06 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1pgr h GLY 88 CO 0.08 0.56 0.29 1.41 0.00 0.00 0.00 176.54 178.88 1pgr h LEU 89 N 0.14 0.68 -1.08 3.11 3.38 -1.05 -0.64 115.31 119.85 1pgr h LEU 89 Ca 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1pgr h LEU 89 Cb 0.87 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1pgr h LEU 89 CO 0.07 0.59 0.49 -0.07 0.09 0.00 0.00 178.44 179.60 1pgr h LEU 90 N 0.73 0.99 -0.80 1.67 3.38 -1.45 -1.31 115.31 118.53 1pgr h LEU 90 Ca 0.19 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1pgr h LEU 90 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1pgr h LEU 90 CO -0.03 0.77 0.00 1.56 0.09 0.00 0.00 178.44 180.83 1pgr h GLN 91 N 1.14 0.91 -0.16 1.13 4.20 -1.12 -2.76 115.11 118.45 1pgr h GLN 91 Ca 0.29 -0.26 0.03 0.00 0.06 0.00 0.00 58.65 58.77 1pgr h GLN 91 Cb -0.03 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1pgr h GLN 91 CO -0.05 0.90 0.11 0.00 -0.67 0.00 0.00 178.83 179.12 1pgr h ALA 92 N 1.15 2.06 0.00 3.87 0.00 0.03 -0.93 119.26 125.44 1pgr h ALA 92 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pgr h ALA 92 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pgr h ALA 92 CO 0.02 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.46 1pgr n LEU 93 N -4.50 0.00 -4.26 0.00 4.77 -0.96 -4.88 117.00 107.17 1pgr n LEU 93 Ca 0.00 0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.71 1pgr n LEU 93 Cb 0.19 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 1pgr n LEU 93 CO 0.35 -0.02 -0.45 -0.62 -1.33 0.00 0.00 177.39 175.32 1pgr n GLU 94 N -1.04 -0.90 -0.79 3.23 4.71 -0.35 0.36 120.64 125.86 1pgr n GLU 94 Ca 0.12 0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.36 1pgr n GLU 94 Cb 0.07 -3.42 0.00 0.00 -1.01 0.00 0.00 31.44 27.07 1pgr n GLU 94 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pgr n GLY 95 N -2.52 0.64 5.00 0.62 0.00 -1.26 -4.55 105.19 103.12 1pgr n GLY 95 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.67 -0.61 5.41 0.16 -2.76 119.36 115.89 1pgr n ILE 96 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 1pgr n ILE 96 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 1pgr n ILE 96 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1pgr s SER 97 N 0.00 -0.34 0.27 4.38 1.04 -1.26 -4.87 113.70 112.91 1pgr s SER 97 Ca 0.00 -0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 1pgr s SER 97 Cb 0.00 0.60 0.46 0.00 0.10 0.00 0.00 66.02 67.18 1pgr s SER 97 CO 0.00 -1.07 1.85 -0.65 0.98 0.00 0.00 173.24 174.35 1pgr h PRO 98 N 2.00 1.00 0.00 4.02 0.11 -1.96 0.66 132.00 137.83 1pgr h PRO 98 Ca -0.25 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 1pgr h PRO 98 Cb 1.26 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1pgr h PRO 98 CO 0.29 0.66 -0.23 1.49 -0.21 0.00 0.00 178.00 180.00 1pgr h GLU 99 N 1.03 0.00 -0.00 1.05 4.57 -1.97 -3.06 114.58 116.20 1pgr h GLU 99 Ca 0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 1pgr h GLU 99 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1pgr h GLU 99 CO -0.22 0.23 -0.70 1.28 -1.18 0.00 0.00 179.01 178.42 1pgr n LEU 100 N -3.60 0.79 -0.13 1.64 4.32 -0.66 -4.64 117.00 114.71 1pgr n LEU 100 Ca -0.01 -0.52 -0.08 0.00 -0.02 0.00 0.00 56.01 55.39 1pgr n LEU 100 Cb 0.37 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.15 1pgr n LEU 100 CO 0.33 0.19 0.63 1.23 -1.22 0.00 0.00 177.39 178.55 1pgr h GLY 101 N 3.62 -0.29 1.00 -0.72 0.00 0.48 0.24 103.07 107.40 1pgr h GLY 101 Ca 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1pgr h GLY 101 CO 0.00 -0.20 0.35 -2.55 0.00 0.00 0.00 176.54 174.14 1pgr h PRO 102 N -0.25 0.90 0.10 4.80 0.11 -1.82 0.13 132.00 135.96 1pgr h PRO 102 Ca 0.17 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1pgr h PRO 102 Cb 0.55 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1pgr h PRO 102 CO -0.57 0.68 -0.05 1.15 -0.21 0.00 0.00 178.00 179.00 1pgr h THR 103 N 0.88 0.98 -0.89 -1.15 2.02 -1.68 -1.36 112.91 111.71 1pgr h THR 103 Ca 0.23 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1pgr h THR 103 Cb 0.04 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1pgr h THR 103 CO -0.04 0.07 0.51 0.25 0.37 0.00 0.00 175.52 176.68 1pgr h LEU 104 N -0.25 1.08 -0.69 2.58 5.85 -0.87 -2.58 115.31 120.43 1pgr h LEU 104 Ca -0.01 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1pgr h LEU 104 Cb 0.21 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1pgr h LEU 104 CO 0.02 0.84 0.45 -0.78 -0.34 0.00 0.00 178.44 178.64 1pgr h ASP 105 N 1.23 0.77 0.07 1.25 3.58 -0.38 -0.99 116.42 121.95 1pgr h ASP 105 Ca 0.32 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.77 1pgr h ASP 105 Cb -0.02 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 1pgr h ASP 105 CO -0.06 0.55 -0.20 0.74 -2.88 0.00 0.00 179.24 177.40 1pgr h THR 106 N 0.91 0.53 -0.72 2.25 2.02 -0.89 -2.26 112.91 114.76 1pgr h THR 106 Ca 0.26 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.52 1pgr h THR 106 Cb -0.08 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 66.80 1pgr h THR 106 CO -0.07 0.00 0.38 0.25 0.37 0.00 0.00 175.52 176.45 1pgr h LEU 107 N -0.36 0.52 -0.72 2.58 5.85 -1.04 -2.37 115.31 119.76 1pgr h LEU 107 Ca 0.04 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.67 1pgr h LEU 107 Cb 0.40 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1pgr h LEU 107 CO -0.14 0.31 -0.53 0.06 -0.34 0.00 0.00 178.44 177.80 1pgr h GLN 108 N 0.66 0.30 0.45 1.25 -0.00 -0.96 -1.94 115.11 114.86 1pgr h GLN 108 Ca 0.35 -0.18 -0.02 0.00 -0.00 0.00 0.00 58.65 58.80 1pgr h GLN 108 Cb 0.32 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 1pgr h GLN 108 CO -0.24 0.75 -0.22 -0.07 -0.00 0.00 0.00 178.83 179.05 1pgr h LEU 109 N 0.23 -0.51 -0.67 0.06 3.38 -1.12 -0.27 115.31 116.41 1pgr h LEU 109 Ca 0.01 -0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.05 1pgr h LEU 109 Cb 1.01 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 1pgr h LEU 109 CO 0.08 -0.23 0.01 0.44 0.09 0.00 0.00 178.44 178.84 1pgr h ASP 110 N -0.79 -0.28 -0.41 -0.43 5.19 -1.41 0.09 116.42 118.39 1pgr h ASP 110 Ca -0.06 0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.46 1pgr h ASP 110 Cb 0.55 0.29 -0.02 0.00 0.18 0.00 0.00 39.33 40.33 1pgr h ASP 110 CO 0.10 -0.13 0.06 0.58 -3.12 0.00 0.00 179.24 176.73 1pgr h VAL 111 N 0.12 1.24 -0.16 -1.35 2.07 -1.27 -1.94 116.25 114.97 1pgr h VAL 111 Ca 0.35 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1pgr h VAL 111 Cb 0.59 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1pgr h VAL 111 CO -0.57 0.31 0.09 0.00 0.02 0.00 0.00 177.57 177.42 1pgr h ALA 112 N 0.92 0.20 -0.04 1.67 0.00 0.13 -1.47 119.26 120.66 1pgr h ALA 112 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1pgr h ALA 112 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1pgr h ALA 112 CO 0.01 -0.28 -0.25 -0.44 0.00 0.00 0.00 179.25 178.29 1pgr h ASP 113 N 0.17 0.07 -0.52 0.00 5.19 -0.98 -0.95 116.42 119.40 1pgr h ASP 113 Ca 0.06 -0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.33 1pgr h ASP 113 Cb 0.04 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 1pgr h ASP 113 CO -0.01 0.33 -0.12 0.15 -3.12 0.00 0.00 179.24 176.47 1pgr h PHE 114 N 0.07 1.13 0.50 4.55 3.57 -0.93 -0.72 116.94 125.12 1pgr h PHE 114 Ca 0.01 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.25 1pgr h PHE 114 Cb 0.48 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1pgr h PHE 114 CO 0.00 1.06 -0.24 0.00 -2.23 0.00 0.00 178.31 176.90 1pgr h ALA 115 N 0.91 -0.68 -0.70 2.41 0.00 -0.42 -2.17 119.26 118.62 1pgr h ALA 115 Ca 0.13 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1pgr h ALA 115 Cb 0.69 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 18.61 1pgr h ALA 115 CO 0.05 -0.80 -0.29 1.15 0.00 0.00 0.00 179.25 179.35 1pgr h THR 116 N -0.83 0.17 -1.01 0.00 2.02 -1.08 0.81 112.91 113.00 1pgr h THR 116 Ca -0.07 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.21 1pgr h THR 116 Cb 0.58 0.17 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 1pgr h THR 116 CO 0.11 0.00 0.64 0.74 0.37 0.00 0.00 175.52 177.38 1pgr h THR 117 N -0.09 0.98 -0.02 3.16 2.02 -1.11 0.33 112.91 118.18 1pgr h THR 117 Ca 0.29 -0.37 -0.18 0.00 0.77 0.00 0.00 66.41 66.93 1pgr h THR 117 Cb 0.56 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1pgr h THR 117 CO -0.75 0.19 -0.77 0.40 0.37 0.00 0.00 175.52 174.96 1pgr h ILE 118 N 1.07 1.45 0.69 3.11 2.04 -0.24 -2.86 117.51 122.78 1pgr h ILE 118 Ca 0.47 -2.38 -0.03 0.00 1.00 0.00 0.00 64.86 63.92 1pgr h ILE 118 Cb 0.37 2.29 0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1pgr h ILE 118 CO -0.23 0.70 -0.33 -0.25 0.00 0.00 0.00 178.15 178.03 1pgr h TRP 119 N 0.13 -0.86 -0.77 1.37 2.91 0.13 -2.40 115.95 116.45 1pgr h TRP 119 Ca -0.03 -0.02 0.22 0.00 1.13 0.00 0.00 58.89 60.19 1pgr h TRP 119 Cb 1.36 0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 30.26 1pgr h TRP 119 CO 0.03 -0.54 0.55 1.96 -1.03 0.00 0.00 178.44 179.41 1pgr h GLN 120 N -1.10 0.00 -0.10 2.65 4.20 -1.06 0.14 115.11 119.85 1pgr h GLN 120 Ca -0.10 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.49 1pgr h GLN 120 Cb 0.71 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.50 1pgr h GLN 120 CO 0.16 0.00 -0.44 0.37 -0.67 0.00 0.00 178.83 178.25 1pgr h GLN 121 N 0.00 0.47 -0.51 1.46 5.75 -1.46 -1.17 115.11 119.65 1pgr h GLN 121 Ca 0.37 -0.38 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 1pgr h GLN 121 Cb 1.47 0.08 -0.05 0.00 1.07 0.00 0.00 27.48 30.05 1pgr h GLN 121 CO -0.00 1.01 0.25 0.52 -2.65 0.00 0.00 178.83 177.95 1pgr h MET 122 N 0.04 0.47 0.14 1.69 2.86 -0.26 0.25 114.93 120.12 1pgr h MET 122 Ca -0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1pgr h MET 122 Cb 1.08 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1pgr h MET 122 CO 0.09 0.31 -0.25 0.93 1.06 0.00 0.00 176.91 179.05 1pgr h GLU 123 N 0.48 -0.40 -0.72 1.72 5.08 -1.09 0.22 114.58 119.86 1pgr h GLU 123 Ca 0.23 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.73 1pgr h GLU 123 Cb 0.16 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.38 1pgr h GLU 123 CO -0.17 -0.27 -0.41 0.93 -1.00 0.00 0.00 179.01 178.08 1pgr h GLU 124 N -0.42 -0.13 0.00 2.33 5.08 -0.56 0.48 114.58 121.36 1pgr h GLU 124 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pgr h GLU 124 Cb 0.39 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1pgr h GLU 124 CO -0.10 -0.09 0.00 1.28 -1.00 0.00 0.00 179.01 179.11 1pgr n LEU 125 N -5.42 0.00 0.00 1.33 4.77 0.83 -4.81 117.00 113.70 1pgr n LEU 125 Ca 0.04 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1pgr n LEU 125 Cb 0.36 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1pgr n LEU 125 CO -0.05 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.42 1pgr n GLY 126 N -0.54 2.39 0.00 -0.72 0.00 0.17 -4.87 105.19 101.61 1pgr n GLY 126 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1pgr n GLY 126 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1pgr n MET 127 N -2.00 0.00 0.00 1.61 0.00 0.61 -4.89 117.12 112.45 1pgr n MET 127 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 57.70 58.03 1pgr n MET 127 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 31.68 1pgr n MET 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pgr n ALA 128 N -1.32 0.00 -1.58 3.17 0.00 -1.00 -4.89 120.51 114.88 1pgr n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pgr n ALA 128 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1pgr n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pgr n ALA 137 N 6.22 0.15 -2.34 0.00 0.00 -1.26 -4.80 120.51 118.47 1pgr n ALA 137 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1pgr n ALA 137 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1pgr n ALA 137 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1pgr s MET 138 N 0.58 3.82 1.32 0.00 1.00 -1.26 -5.01 119.30 119.75 1pgr s MET 138 Ca 0.00 0.35 -0.18 0.00 0.00 0.00 0.00 55.69 55.86 1pgr s MET 138 Cb 0.00 -2.57 0.33 0.00 0.00 0.00 0.00 34.83 32.59 1pgr s MET 138 CO 0.00 0.23 0.90 -2.30 0.00 0.00 0.00 175.02 173.85 1pgr n PRO 139 N -0.42 -3.60 -0.10 2.03 -0.02 -1.26 -5.04 135.00 126.58 1pgr n PRO 139 Ca 0.01 -1.05 -0.23 0.00 -2.02 0.00 0.00 63.50 60.21 1pgr n PRO 139 Cb 0.53 -2.03 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 1pgr n PRO 139 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pgr n ALA 140 N -5.38 1.17 -3.58 3.55 0.00 -1.26 -4.98 120.51 110.02 1pgr n ALA 140 Ca 0.07 -0.92 -0.25 0.00 0.00 0.00 0.00 53.44 52.34 1pgr n ALA 140 Cb 0.57 -0.20 0.01 0.00 0.00 0.00 0.00 19.45 19.83 1pgr n ALA 140 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pgr n PHE 141 N -3.77 -2.41 0.02 0.00 3.72 -1.26 -4.86 117.46 108.90 1pgr n PHE 141 Ca -0.44 0.98 -0.04 0.00 -0.05 0.00 0.00 57.45 57.90 1pgr n PHE 141 Cb 0.93 -2.72 0.14 0.00 -0.94 0.00 0.00 39.48 36.88 1pgr n PHE 141 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pgr n ALA 142 N -1.74 3.58 -3.64 4.37 0.00 -1.26 -4.55 120.51 117.28 1pgr n ALA 142 Ca -0.20 -1.15 -0.05 0.00 0.00 0.00 0.00 53.44 52.04 1pgr n ALA 142 Cb 0.66 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 1pgr n ALA 142 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1pgr s SER 143 N -0.22 -0.25 0.11 0.00 1.04 -1.26 -4.97 113.70 108.15 1pgr s SER 143 Ca 0.27 -0.21 -0.28 0.00 0.48 0.00 0.00 55.95 56.20 1pgr s SER 143 Cb 0.21 0.42 -0.09 0.00 0.10 0.00 0.00 66.02 66.66 1pgr s SER 143 CO 0.06 -0.74 1.46 0.00 0.98 0.00 0.00 173.24 175.01 1pgr h ALA 144 N 2.00 -0.72 -0.59 5.32 0.00 -1.93 0.30 119.26 123.65 1pgr h ALA 144 Ca -0.23 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1pgr h ALA 144 Cb 1.23 1.06 -0.05 0.00 0.00 0.00 0.00 17.79 20.03 1pgr h ALA 144 CO 0.28 -0.94 0.32 0.35 0.00 0.00 0.00 179.25 179.25 1pgr h PHE 145 N -0.35 0.58 -0.67 0.00 3.57 -1.97 0.68 116.94 118.79 1pgr h PHE 145 Ca 0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1pgr h PHE 145 Cb 0.51 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1pgr h PHE 145 CO -0.70 0.28 0.31 1.96 -2.23 0.00 0.00 178.31 177.93 1pgr h GLN 146 N 0.60 0.95 -0.42 1.11 4.20 -1.67 0.48 115.11 120.37 1pgr h GLN 146 Ca 0.26 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.71 1pgr h GLN 146 Cb 0.15 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1pgr h GLN 146 CO -0.16 0.74 -0.26 0.00 -0.67 0.00 0.00 178.83 178.48 1pgr h ARG 147 N 0.94 0.87 -0.26 1.46 3.08 0.60 0.47 114.38 121.54 1pgr h ARG 147 Ca 0.23 -0.38 -0.19 0.00 0.07 0.00 0.00 59.98 59.71 1pgr h ARG 147 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1pgr h ARG 147 CO -0.03 1.03 -0.57 0.00 -1.07 0.00 0.00 179.97 179.33 1pgr h ARG 148 N 0.75 0.83 -0.02 0.04 3.08 -0.17 0.97 114.38 119.85 1pgr h ARG 148 Ca 0.09 -0.54 -0.06 0.00 0.07 0.00 0.00 59.98 59.55 1pgr h ARG 148 Cb 0.81 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1pgr h ARG 148 CO 0.07 1.17 -0.22 0.00 -1.07 0.00 0.00 179.97 179.92 1pgr h ALA 149 N 0.72 0.05 -0.77 0.04 0.00 0.02 -2.16 119.26 117.16 1pgr h ALA 149 Ca 0.01 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.55 1pgr h ALA 149 Cb 1.17 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1pgr h ALA 149 CO 0.12 0.06 0.50 0.78 0.00 0.00 0.00 179.25 180.72 1pgr h GLY 150 N -0.44 1.05 0.98 0.00 0.00 -0.09 -0.55 103.07 104.03 1pgr h GLY 150 Ca -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1pgr h GLY 150 CO 0.04 0.25 0.29 -1.33 0.00 0.00 0.00 176.54 175.79 1pgr h GLY 151 N 0.84 0.82 1.73 4.60 0.00 -0.68 -0.63 103.07 109.74 1pgr h GLY 151 Ca 0.33 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 1pgr h GLY 151 CO -0.11 0.36 -0.35 -2.08 0.00 0.00 0.00 176.54 174.36 1pgr h VAL 152 N 0.72 1.29 0.05 4.60 2.07 -0.50 -1.79 116.25 122.69 1pgr h VAL 152 Ca 0.19 -1.40 -0.15 0.00 0.82 0.00 0.00 66.70 66.16 1pgr h VAL 152 Cb 0.07 1.56 0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1pgr h VAL 152 CO -0.03 0.43 -0.60 -0.07 0.02 0.00 0.00 177.57 177.32 1pgr h LEU 153 N 0.27 0.44 -0.72 2.57 3.38 -0.91 -2.86 115.31 117.49 1pgr h LEU 153 Ca 0.03 -0.84 -0.06 0.00 0.09 0.00 0.00 57.88 57.10 1pgr h LEU 153 Cb 0.75 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1pgr h LEU 153 CO 0.06 1.24 0.21 0.58 0.09 0.00 0.00 178.44 180.61 1pgr h VAL 154 N -0.29 1.26 -0.80 1.22 2.07 -1.13 0.12 116.25 118.69 1pgr h VAL 154 Ca -0.09 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.51 1pgr h VAL 154 Cb 1.37 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1pgr h VAL 154 CO 0.12 0.36 0.53 0.00 0.02 0.00 0.00 177.57 178.60 1pgr h ALA 155 N 1.10 1.02 0.00 1.67 0.00 -1.41 0.27 119.26 121.92 1pgr h ALA 155 Ca 0.23 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1pgr h ALA 155 Cb 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1pgr h ALA 155 CO -0.00 0.42 -0.56 0.66 0.00 0.00 0.00 179.25 179.77 1pgr h SER 156 N 1.08 0.00 0.67 0.00 4.64 -1.20 -0.55 113.55 118.19 1pgr h SER 156 Ca 0.30 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.45 1pgr h SER 156 Cb -0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1pgr h SER 156 CO -0.07 0.56 -0.79 0.45 -0.87 0.00 0.00 176.83 176.11 1pgr h HIS 157 N 0.00 0.13 -0.14 4.77 3.86 -0.28 -2.27 115.15 121.23 1pgr h HIS 157 Ca -0.01 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 1pgr h HIS 157 Cb 1.18 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 1pgr h HIS 157 CO 0.00 0.84 -0.02 1.25 0.86 0.00 0.00 177.93 180.86 1pgr h LEU 158 N 0.05 0.25 -0.70 2.43 5.85 -0.72 -1.33 115.31 121.14 1pgr h LEU 158 Ca -0.02 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.41 1pgr h LEU 158 Cb 1.39 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.29 1pgr h LEU 158 CO 0.11 0.55 0.40 1.56 -0.34 0.00 0.00 178.44 180.72 1pgr h GLN 159 N -0.04 0.71 -0.45 1.25 1.08 -0.99 -0.29 115.11 116.38 1pgr h GLN 159 Ca 0.04 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1pgr h GLN 159 Cb 0.43 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1pgr h GLN 159 CO 0.01 0.47 0.16 0.77 -0.95 0.00 0.00 178.83 179.29 1pgr h SER 160 N 0.73 0.63 -0.61 1.46 0.02 -1.16 0.45 113.55 115.07 1pgr h SER 160 Ca 0.32 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1pgr h SER 160 Cb 0.19 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 1pgr h SER 160 CO -0.18 0.65 0.32 0.15 -1.14 0.00 0.00 176.83 176.62 1pgr h PHE 161 N 0.58 0.58 -0.09 3.45 3.57 -0.49 -1.69 116.94 122.85 1pgr h PHE 161 Ca 0.15 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.54 1pgr h PHE 161 Cb 0.23 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1pgr h PHE 161 CO 0.01 0.26 -0.54 -0.07 -2.23 0.00 0.00 178.31 175.74 1pgr h LEU 162 N 0.59 0.28 -0.94 0.59 3.38 -0.62 -0.48 115.31 118.10 1pgr h LEU 162 Ca 0.28 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1pgr h LEU 162 Cb 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1pgr h LEU 162 CO -0.19 0.77 -0.36 -0.08 0.09 0.00 0.00 178.44 178.66 1pgr h GLU 163 N 0.19 0.33 0.04 1.13 4.81 -0.47 0.10 114.58 120.72 1pgr h GLU 163 Ca 0.00 -0.14 -0.23 0.00 -0.13 0.00 0.00 59.36 58.86 1pgr h GLU 163 Cb 1.02 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.41 1pgr h GLU 163 CO 0.08 0.65 -0.93 0.28 -0.73 0.00 0.00 179.01 178.37 1pgr h VAL 164 N 0.28 1.35 -0.92 0.32 2.07 -1.08 -3.25 116.25 115.02 1pgr h VAL 164 Ca 0.03 -2.27 0.01 0.00 0.82 0.00 0.00 66.70 65.29 1pgr h VAL 164 Cb 0.77 2.61 -0.05 0.00 -1.52 0.00 0.00 31.29 33.11 1pgr h VAL 164 CO 0.06 0.68 0.60 0.28 0.02 0.00 0.00 177.57 179.21 1pgr h SER 165 N 0.12 1.06 -0.63 0.57 0.02 -0.85 -1.82 113.55 112.03 1pgr h SER 165 Ca -0.13 -0.03 0.10 0.00 -0.84 0.00 0.00 61.79 60.89 1pgr h SER 165 Cb 1.62 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 63.82 1pgr h SER 165 CO 0.18 0.77 0.22 0.22 -1.14 0.00 0.00 176.83 177.09 1pgr h TYR 166 N 1.25 0.38 0.23 3.45 3.20 -0.85 0.16 116.97 124.78 1pgr h TYR 166 Ca 0.34 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1pgr h TYR 166 Cb -0.14 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.06 1pgr h TYR 166 CO -0.01 0.07 -0.11 0.00 -1.64 0.00 0.00 178.16 176.48 1pgr h ARG 167 N 0.39 -0.29 -0.67 1.82 2.47 -1.46 0.21 114.38 116.85 1pgr h ARG 167 Ca 0.32 0.02 0.14 0.00 -1.26 0.00 0.00 59.98 59.21 1pgr h ARG 167 Cb 0.43 0.07 -0.11 0.00 -1.65 0.00 0.00 29.97 28.71 1pgr h ARG 167 CO -0.34 -0.02 0.05 0.28 0.56 0.00 0.00 179.97 180.51 1pgr h VAL 168 N -0.55 0.48 -0.08 2.04 2.07 -0.77 0.50 116.25 119.94 1pgr h VAL 168 Ca -0.03 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1pgr h VAL 168 Cb 0.41 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1pgr h VAL 168 CO 0.05 0.03 -0.08 -0.07 0.02 0.00 0.00 177.57 177.52 1pgr h LEU 169 N 0.16 0.21 -0.85 2.57 3.38 -0.58 -1.17 115.31 119.03 1pgr h LEU 169 Ca 0.36 -0.48 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1pgr h LEU 169 Cb 0.60 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 1pgr h LEU 169 CO -0.54 0.64 0.47 0.03 0.09 0.00 0.00 178.44 179.14 1pgr h ARG 170 N -0.22 0.73 -0.28 1.13 3.08 0.16 0.20 114.38 119.18 1pgr h ARG 170 Ca 0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1pgr h ARG 170 Cb 0.58 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1pgr h ARG 170 CO 0.02 0.48 0.18 1.25 -1.07 0.00 0.00 179.97 180.83 1pgr h HIS 171 N 0.75 0.35 -0.86 3.04 2.76 -0.79 -0.35 115.15 120.05 1pgr h HIS 171 Ca 0.43 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.58 1pgr h HIS 171 Cb 0.47 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.27 1pgr h HIS 171 CO -0.07 0.23 0.46 -0.07 -1.30 0.00 0.00 177.93 177.18 1pgr h LEU 172 N 0.37 1.09 -0.35 0.26 4.07 0.27 -2.62 115.31 118.40 1pgr h LEU 172 Ca 0.10 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pgr h LEU 172 Cb -0.03 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.43 1pgr h LEU 172 CO -0.02 0.88 0.00 0.00 -1.08 0.00 0.00 178.44 178.22 1pgr h ALA 173 N 1.29 1.00 -2.17 1.53 0.00 -0.13 -3.35 119.26 117.44 1pgr h ALA 173 Ca 0.30 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.62 1pgr h ALA 173 Cb 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.43 1pgr h ALA 173 CO -0.05 0.00 -0.68 0.94 0.00 0.00 0.00 179.25 179.47 1pgr n GLN 174 N -2.48 2.29 0.00 0.00 -0.06 -0.19 -5.08 117.38 111.86 1pgr n GLN 174 Ca 0.04 -4.46 0.13 0.00 -2.00 0.00 0.00 57.00 50.70 1pgr n GLN 174 Cb 0.38 -2.10 0.22 0.00 -4.06 0.00 0.00 30.24 24.68 1pgr n GLN 174 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51