#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mlr s VAL 1 N 0.00 -0.21 0.28 3.17 1.01 -1.26 -5.05 120.40 118.34 1mlr s VAL 1 Ca 0.00 0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 1mlr s VAL 1 Cb 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 36.38 36.03 1mlr s VAL 1 CO 0.00 0.14 0.83 -0.76 0.00 0.00 0.00 175.10 175.31 1mlr s LEU 2 N 2.25 4.32 0.72 3.92 1.02 -1.26 -5.08 118.68 124.56 1mlr s LEU 2 Ca 0.04 1.61 -0.11 0.00 0.02 0.00 0.00 54.13 55.68 1mlr s LEU 2 Cb -0.12 -3.82 0.02 0.00 0.02 0.00 0.00 46.19 42.29 1mlr s LEU 2 CO -0.05 -0.03 1.10 -0.94 0.02 0.00 0.00 176.35 176.45 1mlr s SER 3 N -1.67 5.31 0.35 2.29 1.04 -1.26 -4.88 113.70 114.88 1mlr s SER 3 Ca 0.47 1.06 0.02 0.00 0.48 0.00 0.00 55.95 57.98 1mlr s SER 3 Cb -0.17 -1.82 0.63 0.00 0.10 0.00 0.00 66.02 64.76 1mlr s SER 3 CO 0.22 -1.41 2.00 -0.08 0.98 0.00 0.00 173.24 174.95 1mlr h GLU 4 N -0.69 0.85 -0.24 4.02 4.57 -1.99 -1.81 114.58 119.29 1mlr h GLU 4 Ca -0.45 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.69 1mlr h GLU 4 Cb 1.27 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1mlr h GLU 4 CO 0.64 0.56 0.13 0.78 -1.18 0.00 0.00 179.01 179.94 1mlr h GLY 5 N 0.87 0.32 0.83 1.92 0.00 -1.99 0.00 103.07 105.02 1mlr h GLY 5 Ca 0.25 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.52 1mlr h GLY 5 CO -0.06 0.08 0.47 0.83 0.00 0.00 0.00 176.54 177.86 1mlr h GLU 6 N 0.26 0.88 -0.63 4.80 5.08 -1.80 -2.48 114.58 120.69 1mlr h GLU 6 Ca 0.09 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1mlr h GLU 6 Cb 0.01 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 1mlr h GLU 6 CO -0.05 0.58 0.32 -1.49 -1.00 0.00 0.00 179.01 177.36 1mlr h TRP 7 N 0.90 0.87 -0.35 4.33 4.06 -0.97 -1.74 115.95 123.06 1mlr h TRP 7 Ca 0.31 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.23 1mlr h TRP 7 Cb 0.05 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 27.92 1mlr h TRP 7 CO -0.04 0.63 0.19 1.96 -3.56 0.00 0.00 178.44 177.62 1mlr h GLN 8 N 0.89 0.48 -0.24 0.49 1.08 -0.80 0.23 115.11 117.24 1mlr h GLN 8 Ca 0.22 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1mlr h GLN 8 Cb 0.07 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1mlr h GLN 8 CO -0.03 0.40 0.16 -0.07 -0.95 0.00 0.00 178.83 178.34 1mlr h LEU 9 N 0.44 0.23 -0.00 1.46 3.38 -0.95 -0.92 115.31 118.94 1mlr h LEU 9 Ca 0.12 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.87 1mlr h LEU 9 Cb 0.05 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1mlr h LEU 9 CO -0.02 0.16 -0.85 0.58 0.09 0.00 0.00 178.44 178.40 1mlr h VAL 10 N 0.27 1.34 0.00 1.22 2.07 -0.81 -2.75 116.25 117.59 1mlr h VAL 10 Ca 0.10 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1mlr h VAL 10 Cb 0.06 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1mlr h VAL 10 CO -0.02 0.66 -0.13 0.18 0.02 0.00 0.00 177.57 178.28 1mlr n LEU 11 N -4.01 0.50 0.02 2.57 4.77 0.76 -1.35 117.00 120.25 1mlr n LEU 11 Ca -0.11 0.45 -0.18 0.00 -0.03 0.00 0.00 56.01 56.14 1mlr n LEU 11 Cb 0.79 -0.35 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 1mlr n LEU 11 CO 0.52 -0.08 0.16 -0.74 -1.33 0.00 0.00 177.39 175.92 1mlr h HIS 12 N 0.00 0.49 0.00 -1.77 2.76 -1.06 -1.59 115.15 113.99 1mlr h HIS 12 Ca 0.00 -0.32 -0.07 0.00 -2.20 0.00 0.00 60.37 57.77 1mlr h HIS 12 Cb 0.64 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 1mlr h HIS 12 CO 0.00 1.21 -0.35 -0.24 -1.30 0.00 0.00 177.93 177.25 1mlr h VAL 13 N -0.37 0.71 -0.35 5.26 3.04 -1.32 -3.05 116.25 120.18 1mlr h VAL 13 Ca -0.10 -1.63 -0.08 0.00 -1.01 0.00 0.00 66.70 63.88 1mlr h VAL 13 Cb 1.45 2.07 -0.02 0.00 -2.01 0.00 0.00 31.29 32.78 1mlr h VAL 13 CO 0.12 0.35 -0.14 -0.25 -1.01 0.00 0.00 177.57 176.64 1mlr h TRP 14 N 0.00 0.67 -0.04 3.17 2.91 -1.11 -1.19 115.95 120.36 1mlr h TRP 14 Ca -0.00 -0.12 0.01 0.00 1.13 0.00 0.00 58.89 59.91 1mlr h TRP 14 Cb 1.04 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 29.52 1mlr h TRP 14 CO 0.00 0.72 0.04 0.00 -1.03 0.00 0.00 178.44 178.17 1mlr h ALA 15 N 1.29 1.67 0.06 2.65 0.00 -1.17 -0.89 119.26 122.87 1mlr h ALA 15 Ca 0.10 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1mlr h ALA 15 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1mlr h ALA 15 CO 0.04 -0.06 -0.37 0.87 0.00 0.00 0.00 179.25 179.74 1mlr h LYS 16 N 0.00 0.15 -0.62 0.00 1.79 -1.30 -3.19 116.57 113.40 1mlr h LYS 16 Ca 0.02 -0.23 0.12 0.00 -2.18 0.00 0.00 60.65 58.38 1mlr h LYS 16 Cb 0.09 0.08 -0.12 0.00 -1.58 0.00 0.00 32.23 30.71 1mlr h LYS 16 CO -0.00 1.09 -0.17 0.28 -1.08 0.00 0.00 179.45 179.56 1mlr h VAL 17 N -0.67 0.35 0.00 0.50 2.07 -0.68 -2.34 116.25 115.48 1mlr h VAL 17 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1mlr h VAL 17 Cb 1.26 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1mlr h VAL 17 CO 0.07 0.00 0.12 -0.33 0.02 0.00 0.00 177.57 177.45 1mlr h GLU 18 N -0.02 0.00 0.00 1.57 5.08 -1.20 -1.38 114.58 118.63 1mlr h GLU 18 Ca 0.29 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1mlr h GLU 18 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1mlr h GLU 18 CO -0.65 0.00 -0.16 0.00 -1.00 0.00 0.00 179.01 177.21 1mlr h ALA 19 N 1.71 1.33 -1.94 3.43 0.00 -1.40 -3.36 119.26 119.04 1mlr h ALA 19 Ca 0.00 -0.14 -0.53 0.00 0.00 0.00 0.00 54.91 54.24 1mlr h ALA 19 Cb 0.25 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 17.65 1mlr h ALA 19 CO 0.00 0.19 -1.00 -3.47 0.00 0.00 0.00 179.25 174.98 1mlr n ASP 20 N -3.76 -0.41 -0.22 0.00 2.03 -0.53 -5.02 116.55 108.64 1mlr n ASP 20 Ca -0.02 -2.64 -0.07 0.00 0.52 0.00 0.00 54.79 52.59 1mlr n ASP 20 Cb 0.26 -0.34 0.03 0.00 -0.72 0.00 0.00 41.12 40.36 1mlr n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mlr h VAL 21 N 3.06 1.22 -0.41 5.18 2.07 -1.69 -2.21 116.25 123.46 1mlr h VAL 21 Ca 0.12 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 1mlr h VAL 21 Cb 0.91 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1mlr h VAL 21 CO 0.40 0.25 -0.10 0.00 0.02 0.00 0.00 177.57 178.14 1mlr h ALA 22 N 1.12 0.57 -0.45 1.67 0.00 -1.92 0.14 119.26 120.39 1mlr h ALA 22 Ca 0.21 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1mlr h ALA 22 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1mlr h ALA 22 CO -0.03 0.45 0.21 0.78 0.00 0.00 0.00 179.25 180.66 1mlr h GLY 23 N 0.62 0.70 0.99 0.00 0.00 -1.94 -1.82 103.07 101.61 1mlr h GLY 23 Ca 0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1mlr h GLY 23 CO 0.04 0.34 0.26 0.45 0.00 0.00 0.00 176.54 177.63 1mlr h HIS 24 N 0.58 0.84 -0.35 5.60 3.86 -1.21 -2.05 115.15 122.42 1mlr h HIS 24 Ca 0.15 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.37 1mlr h HIS 24 Cb 0.14 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.30 1mlr h HIS 24 CO -0.01 0.66 0.01 0.78 0.86 0.00 0.00 177.93 180.24 1mlr h GLY 25 N 0.78 0.36 0.64 2.45 0.00 -0.80 -1.49 103.07 105.01 1mlr h GLY 25 Ca 0.19 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1mlr h GLY 25 CO -0.02 -0.07 -0.44 1.46 0.00 0.00 0.00 176.54 177.46 1mlr h GLN 26 N 0.11 -0.92 -0.41 4.80 4.20 -1.27 -2.14 115.11 119.48 1mlr h GLN 26 Ca 0.17 0.06 0.06 0.00 0.06 0.00 0.00 58.65 59.00 1mlr h GLN 26 Cb 0.23 0.21 -0.09 0.00 0.30 0.00 0.00 27.48 28.13 1mlr h GLN 26 CO -0.27 -0.62 -0.49 -0.44 -0.67 0.00 0.00 178.83 176.34 1mlr h ASP 27 N -0.96 -1.65 -0.40 1.46 5.19 -1.24 -1.66 116.42 117.16 1mlr h ASP 27 Ca -0.06 0.23 0.08 0.00 -0.62 0.00 0.00 57.03 56.66 1mlr h ASP 27 Cb 0.82 0.70 -0.08 0.00 0.18 0.00 0.00 39.33 40.95 1mlr h ASP 27 CO -0.02 -0.39 -0.13 0.40 -3.12 0.00 0.00 179.24 175.98 1mlr h ILE 28 N -0.36 0.54 -0.39 0.35 2.04 -1.29 -1.78 117.51 116.61 1mlr h ILE 28 Ca 0.11 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 1mlr h ILE 28 Cb 0.59 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1mlr h ILE 28 CO -0.59 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 177.49 1mlr h LEU 29 N -0.05 0.67 -0.47 1.44 3.38 -1.26 0.04 115.31 119.07 1mlr h LEU 29 Ca 0.19 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1mlr h LEU 29 Cb 0.34 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1mlr h LEU 29 CO -0.43 0.81 0.25 0.40 0.09 0.00 0.00 178.44 179.56 1mlr h ILE 30 N 0.51 0.99 -1.00 1.22 2.04 -1.34 -0.27 117.51 119.67 1mlr h ILE 30 Ca 0.11 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1mlr h ILE 30 Cb 0.47 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1mlr h ILE 30 CO 0.02 0.09 0.65 -0.09 0.00 0.00 0.00 178.15 178.83 1mlr h ARG 31 N 0.50 1.20 -0.14 2.37 9.65 -1.09 0.52 114.38 127.40 1mlr h ARG 31 Ca 0.20 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 1mlr h ARG 31 Cb 0.08 -0.27 -0.01 0.00 -1.39 0.00 0.00 29.97 28.38 1mlr h ARG 31 CO -0.12 0.79 0.02 1.25 2.80 0.00 0.00 179.97 184.71 1mlr h LEU 32 N 1.23 0.22 -0.86 3.80 5.85 -0.72 0.23 115.31 125.07 1mlr h LEU 32 Ca 0.41 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1mlr h LEU 32 Cb 0.06 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1mlr h LEU 32 CO -0.14 0.44 -0.49 -0.26 -0.34 0.00 0.00 178.44 177.64 1mlr h PHE 33 N -0.00 0.24 -0.01 1.25 0.04 -0.77 0.98 116.94 118.66 1mlr h PHE 33 Ca 0.04 -0.07 -0.26 0.00 2.80 0.00 0.00 57.97 60.48 1mlr h PHE 33 Cb 0.31 -0.05 0.02 0.00 2.20 0.00 0.00 35.95 38.43 1mlr h PHE 33 CO 0.02 0.65 -1.00 0.87 -0.60 0.00 0.00 178.31 178.25 1mlr h LYS 34 N 0.16 0.70 -0.15 1.51 1.57 0.46 -2.68 116.57 118.13 1mlr h LYS 34 Ca 0.01 -0.74 -0.17 0.00 -1.87 0.00 0.00 60.65 57.88 1mlr h LYS 34 Cb 0.92 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1mlr h LYS 34 CO 0.07 1.31 -0.60 0.77 -0.57 0.00 0.00 179.45 180.44 1mlr h SER 35 N 0.38 0.57 -2.25 0.86 0.02 -0.82 -3.39 113.55 108.92 1mlr h SER 35 Ca -0.12 -0.32 -0.58 0.00 -0.84 0.00 0.00 61.79 59.92 1mlr h SER 35 Cb 1.66 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 63.64 1mlr h SER 35 CO 0.20 1.04 -0.92 1.41 -1.14 0.00 0.00 176.83 177.41 1mlr n HIS 36 N -3.93 0.58 -0.34 3.45 8.25 0.33 -5.01 115.22 118.55 1mlr n HIS 36 Ca -0.03 -3.68 0.20 0.00 -0.26 0.00 0.00 57.72 53.95 1mlr n HIS 36 Cb 0.63 -0.25 0.43 0.00 1.12 0.00 0.00 29.99 31.93 1mlr n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1mlr h PRO 37 N 4.64 0.48 -0.92 -0.41 0.11 -1.65 0.20 132.00 134.44 1mlr h PRO 37 Ca 0.16 -0.03 0.23 0.00 0.11 0.00 0.00 66.00 66.47 1mlr h PRO 37 Cb 0.84 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.78 1mlr h PRO 37 CO 0.53 0.31 0.63 1.05 -0.21 0.00 0.00 178.00 180.31 1mlr h GLU 38 N 0.49 0.25 0.00 1.05 9.09 -1.93 -1.01 114.58 122.53 1mlr h GLU 38 Ca 0.66 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 60.03 1mlr h GLU 38 Cb 1.39 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 28.43 1mlr h GLU 38 CO -0.47 0.17 -0.13 1.79 0.05 0.00 0.00 179.01 180.41 1mlr h THR 39 N 0.26 0.81 0.00 -1.06 1.35 -0.94 -2.17 112.91 111.16 1mlr h THR 39 Ca 0.47 -0.52 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 1mlr h THR 39 Cb 1.42 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1mlr h THR 39 CO -0.13 0.13 -0.05 0.25 -0.25 0.00 0.00 175.52 175.47 1mlr h LEU 40 N 0.00 0.00 -1.94 3.87 5.85 -1.32 -2.06 115.31 119.71 1mlr h LEU 40 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1mlr h LEU 40 Cb 0.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1mlr h LEU 40 CO 0.02 0.05 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.75 1mlr h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.51 -1.58 114.58 117.82 1mlr h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mlr h GLU 41 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1mlr h GLU 41 CO 0.01 0.09 0.00 0.87 -1.00 0.00 0.00 179.01 178.98 1mlr h LYS 42 N 0.00 0.00 -4.27 2.33 1.79 -1.53 -3.39 116.57 111.50 1mlr h LYS 42 Ca -0.00 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.73 1mlr h LYS 42 Cb 0.34 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 30.76 1mlr h LYS 42 CO 0.01 0.00 -0.17 -0.06 -1.08 0.00 0.00 179.45 178.16 1mlr s PHE 43 N -3.29 3.20 -1.08 -1.35 0.40 -0.59 -4.89 117.98 110.39 1mlr s PHE 43 Ca 0.06 -1.14 0.16 0.00 -0.60 0.00 0.00 56.93 55.40 1mlr s PHE 43 Cb 0.10 -3.73 0.70 0.00 0.51 0.00 0.00 43.02 40.60 1mlr s PHE 43 CO 0.45 -1.04 1.50 -0.25 0.70 0.00 0.00 175.22 176.59 1mlr n ASP 44 N 5.48 0.00 0.03 1.36 8.00 -1.26 0.57 116.55 130.72 1mlr n ASP 44 Ca -0.13 0.42 0.11 0.00 0.71 0.00 0.00 54.79 55.91 1mlr n ASP 44 Cb 0.41 -0.46 -0.07 0.00 -0.02 0.00 0.00 41.12 40.98 1mlr n ASP 44 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1mlr n ARG 45 N -1.46 0.50 -0.04 -1.24 0.63 -1.26 -4.22 116.66 109.56 1mlr n ARG 45 Ca 0.04 -0.05 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 1mlr n ARG 45 Cb 0.17 -1.62 -0.04 0.00 0.45 0.00 0.00 32.46 31.42 1mlr n ARG 45 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1mlr n PHE 46 N -2.23 0.00 0.00 -0.14 3.72 0.19 -4.71 117.46 114.29 1mlr n PHE 46 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1mlr n PHE 46 Cb 0.51 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1mlr n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1mlr n LYS 47 N -2.51 0.00 0.26 -1.08 4.81 -0.29 -1.35 118.16 118.00 1mlr n LYS 47 Ca -0.13 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.49 1mlr n LYS 47 Cb 0.68 0.00 0.84 0.00 0.02 0.00 0.00 35.03 36.57 1mlr n LYS 47 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 1mlr h HIS 48 N 0.00 0.00 -2.15 5.64 2.07 -1.86 -3.47 115.15 115.39 1mlr h HIS 48 Ca 0.00 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 1mlr h HIS 48 Cb 0.00 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.00 1mlr h HIS 48 CO 0.00 0.00 1.09 1.28 -3.07 0.00 0.00 177.93 177.23 1mlr n LEU 49 N -2.79 3.58 0.00 6.12 4.77 -0.46 -4.91 117.00 123.32 1mlr n LEU 49 Ca -0.01 0.97 0.02 0.00 -0.03 0.00 0.00 56.01 56.96 1mlr n LEU 49 Cb 0.15 -1.42 -0.11 0.00 -2.33 0.00 0.00 43.42 39.72 1mlr n LEU 49 CO 0.20 -0.02 -0.55 0.29 -1.33 0.00 0.00 177.39 175.98 1mlr n LYS 50 N 6.39 0.64 -4.31 3.23 5.02 -1.26 -5.01 118.16 122.86 1mlr n LYS 50 Ca 0.21 0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.40 1mlr n LYS 50 Cb 0.32 -1.68 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 1mlr n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mlr s THR 51 N -3.02 0.48 0.32 -0.18 -4.23 -1.26 -5.02 115.64 102.73 1mlr s THR 51 Ca -0.05 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.53 1mlr s THR 51 Cb 0.09 -2.61 0.08 0.00 1.34 0.00 0.00 72.50 71.41 1mlr s THR 51 CO 0.84 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 176.61 1mlr h GLU 52 N 2.38 0.24 -0.47 3.99 4.81 -1.99 -1.45 114.58 122.08 1mlr h GLU 52 Ca -0.37 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1mlr h GLU 52 Cb 1.25 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1mlr h GLU 52 CO 0.59 0.54 0.19 0.00 -0.73 0.00 0.00 179.01 179.59 1mlr h ALA 53 N 1.46 0.62 -0.79 2.92 0.00 -1.99 0.18 119.26 121.66 1mlr h ALA 53 Ca 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1mlr h ALA 53 Cb 0.67 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1mlr h ALA 53 CO 0.05 0.23 0.42 0.93 0.00 0.00 0.00 179.25 180.87 1mlr h GLU 54 N 0.62 1.10 -0.40 0.00 5.08 -1.71 -2.18 114.58 117.10 1mlr h GLU 54 Ca 0.16 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1mlr h GLU 54 Cb 0.20 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1mlr h GLU 54 CO -0.01 0.82 0.20 0.52 -1.00 0.00 0.00 179.01 179.54 1mlr h MET 55 N 1.11 0.57 0.00 2.33 2.86 -0.84 -2.26 114.93 118.69 1mlr h MET 55 Ca 0.28 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1mlr h MET 55 Cb 0.05 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 1mlr h MET 55 CO -0.04 0.49 -0.03 0.87 1.06 0.00 0.00 176.91 179.26 1mlr h LYS 56 N 0.51 0.00 -0.19 1.72 1.57 -0.74 -2.28 116.57 117.16 1mlr h LYS 56 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1mlr h LYS 56 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1mlr h LYS 56 CO -0.02 0.03 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 1mlr n ALA 57 N -2.15 2.44 -2.64 3.86 0.00 -0.84 -4.86 120.51 116.32 1mlr n ALA 57 Ca -0.02 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.18 1mlr n ALA 57 Cb 0.17 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 1mlr n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mlr s SER 58 N -1.70 6.84 0.15 0.00 0.15 -0.86 -4.90 113.70 113.39 1mlr s SER 58 Ca 0.32 1.05 -0.09 0.00 0.70 0.00 0.00 55.95 57.92 1mlr s SER 58 Cb 0.20 -2.44 -0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1mlr s SER 58 CO 0.30 -0.51 1.48 -0.08 1.20 0.00 0.00 173.24 175.63 1mlr h GLU 59 N 7.65 0.85 -0.32 5.44 4.57 -1.89 -2.65 114.58 128.23 1mlr h GLU 59 Ca -0.23 -0.47 0.03 0.00 -1.18 0.00 0.00 59.36 57.51 1mlr h GLU 59 Cb 1.09 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 1mlr h GLU 59 CO 0.87 1.11 0.13 -0.44 -1.18 0.00 0.00 179.01 179.50 1mlr h ASP 60 N 0.69 0.16 -0.62 1.04 5.19 -1.97 0.24 116.42 121.15 1mlr h ASP 60 Ca 0.05 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.51 1mlr h ASP 60 Cb 1.01 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.50 1mlr h ASP 60 CO 0.10 0.13 0.41 0.25 -3.12 0.00 0.00 179.24 177.01 1mlr h LEU 61 N 0.28 0.67 -0.46 1.55 6.46 -1.87 -2.28 115.31 119.66 1mlr h LEU 61 Ca 0.14 -0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.72 1mlr h LEU 61 Cb 0.10 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 1mlr h LEU 61 CO -0.13 0.47 -0.65 0.50 -0.62 0.00 0.00 178.44 178.01 1mlr h LYS 62 N 0.79 0.48 -0.57 1.25 3.64 -1.28 -0.84 116.57 120.03 1mlr h LYS 62 Ca 0.24 -0.35 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1mlr h LYS 62 Cb -0.01 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1mlr h LYS 62 CO -0.06 0.97 0.17 0.87 -2.27 0.00 0.00 179.45 179.12 1mlr h LYS 63 N 0.35 0.89 -0.57 1.90 1.57 -0.73 -2.04 116.57 117.94 1mlr h LYS 63 Ca -0.01 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 1mlr h LYS 63 Cb 1.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1mlr h LYS 63 CO 0.12 0.81 0.02 1.25 -0.57 0.00 0.00 179.45 181.08 1mlr h HIS 64 N 0.80 1.09 -0.87 -1.35 2.76 -1.12 -1.52 115.15 114.94 1mlr h HIS 64 Ca 0.18 -0.18 0.11 0.00 -2.20 0.00 0.00 60.37 58.28 1mlr h HIS 64 Cb 0.30 -0.29 -0.08 0.00 1.55 0.00 0.00 27.41 28.90 1mlr h HIS 64 CO 0.02 0.97 0.50 0.78 -1.30 0.00 0.00 177.93 178.90 1mlr h GLY 65 N 0.89 1.37 0.78 5.26 0.00 -0.51 0.10 103.07 110.96 1mlr h GLY 65 Ca 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1mlr h GLY 65 CO 0.03 0.12 0.01 -2.08 0.00 0.00 0.00 176.54 174.62 1mlr h VAL 66 N 0.82 1.22 -0.41 4.60 2.07 -0.73 -1.30 116.25 122.52 1mlr h VAL 66 Ca 0.43 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 67.32 1mlr h VAL 66 Cb 0.42 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 1mlr h VAL 66 CO -0.26 0.20 -0.02 0.74 0.02 0.00 0.00 177.57 178.25 1mlr h THR 67 N -0.07 0.67 0.10 2.57 2.02 -1.04 -0.17 112.91 116.99 1mlr h THR 67 Ca 0.03 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1mlr h THR 67 Cb 0.30 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1mlr h THR 67 CO 0.00 0.02 -0.10 0.25 0.37 0.00 0.00 175.52 176.06 1mlr h LEU 68 N 0.09 -0.25 -0.67 2.58 6.46 -0.92 -2.05 115.31 120.55 1mlr h LEU 68 Ca 0.20 0.03 -0.13 0.00 -0.12 0.00 0.00 57.88 57.86 1mlr h LEU 68 Cb 0.30 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1mlr h LEU 68 CO -0.36 -0.15 -0.34 -0.07 -0.62 0.00 0.00 178.44 176.90 1mlr h LEU 69 N -0.22 0.68 -0.06 2.25 3.38 -1.12 -1.22 115.31 119.01 1mlr h LEU 69 Ca 0.00 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1mlr h LEU 69 Cb 0.21 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1mlr h LEU 69 CO -0.03 0.97 -0.02 0.74 0.09 0.00 0.00 178.44 180.19 1mlr h THR 70 N 0.55 0.92 -0.57 0.22 2.02 -0.99 0.00 112.91 115.07 1mlr h THR 70 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.28 1mlr h THR 70 Cb 0.85 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 1mlr h THR 70 CO 0.07 0.00 0.31 0.00 0.37 0.00 0.00 175.52 176.27 1mlr h ALA 71 N 1.05 0.74 -0.63 6.16 0.00 -1.15 -1.85 119.26 123.57 1mlr h ALA 71 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1mlr h ALA 71 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1mlr h ALA 71 CO -0.07 -0.02 0.30 1.25 0.00 0.00 0.00 179.25 180.72 1mlr h LEU 72 N 0.59 0.83 -1.00 0.00 5.85 -1.13 -2.43 115.31 118.02 1mlr h LEU 72 Ca 0.25 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1mlr h LEU 72 Cb 0.13 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1mlr h LEU 72 CO -0.15 0.73 0.44 1.23 -0.34 0.00 0.00 178.44 180.35 1mlr h GLY 73 N 0.87 1.22 2.00 3.75 0.00 -0.85 -1.02 103.07 109.05 1mlr h GLY 73 Ca 0.22 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 1mlr h GLY 73 CO -0.03 0.53 -0.24 0.00 0.00 0.00 0.00 176.54 176.80 1mlr h ALA 74 N 1.34 1.19 0.11 3.60 0.00 -0.88 -1.74 119.26 122.88 1mlr h ALA 74 Ca 0.29 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 1mlr h ALA 74 Cb 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1mlr h ALA 74 CO -0.05 0.30 -1.19 0.82 0.00 0.00 0.00 179.25 179.13 1mlr h ILE 75 N 0.00 1.42 -0.12 0.00 2.04 -0.80 -3.03 117.51 117.01 1mlr h ILE 75 Ca -0.00 -2.78 -0.17 0.00 1.00 0.00 0.00 64.86 62.91 1mlr h ILE 75 Cb 0.59 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.45 1mlr h ILE 75 CO 0.03 0.82 -0.63 -0.07 0.00 0.00 0.00 178.15 178.31 1mlr h LEU 76 N 0.15 0.50 -0.94 1.44 3.38 -0.88 -1.73 115.31 117.22 1mlr h LEU 76 Ca -0.14 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1mlr h LEU 76 Cb 1.88 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1mlr h LEU 76 CO 0.21 1.00 0.00 0.11 0.09 0.00 0.00 178.44 179.84 1mlr h LYS 77 N 0.32 0.00 0.00 1.13 1.57 -1.25 -0.58 116.57 117.76 1mlr h LYS 77 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1mlr h LYS 77 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1mlr h LYS 77 CO 0.11 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.86 1mlr h LYS 78 N 0.00 0.00 -6.01 3.15 1.79 -1.19 -3.48 116.57 110.83 1mlr h LYS 78 Ca 0.00 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.06 1mlr h LYS 78 Cb 0.38 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.10 1mlr h LYS 78 CO 0.00 0.00 -0.77 1.63 -1.08 0.00 0.00 179.45 179.23 1mlr n LYS 79 N -2.94 -6.02 0.00 3.15 5.02 -0.23 -1.30 118.16 115.85 1mlr n LYS 79 Ca 0.02 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1mlr n LYS 79 Cb 0.36 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 29.84 1mlr n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mlr n GLY 80 N -1.60 3.40 2.76 0.72 0.00 -1.26 -4.95 105.19 104.25 1mlr n GLY 80 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1mlr n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mlr n HIS 81 N -1.80 2.80 -0.48 1.61 8.25 -0.42 -4.60 115.22 120.58 1mlr n HIS 81 Ca 0.00 -2.79 0.06 0.00 -0.26 0.00 0.00 57.72 54.73 1mlr n HIS 81 Cb 0.00 -1.90 0.14 0.00 1.12 0.00 0.00 29.99 29.36 1mlr n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mlr n HIS 82 N 3.18 0.40 -0.29 4.41 1.44 -1.26 -4.74 115.22 118.36 1mlr n HIS 82 Ca 0.46 -0.67 0.01 0.00 -2.01 0.00 0.00 57.72 55.50 1mlr n HIS 82 Cb 0.33 -0.12 0.08 0.00 0.12 0.00 0.00 29.99 30.39 1mlr n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1mlr h GLU 83 N 1.17 -0.03 -0.53 -1.40 3.07 -2.00 -1.43 114.58 113.43 1mlr h GLU 83 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1mlr h GLU 83 Cb 0.90 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.80 1mlr h GLU 83 CO 0.06 -0.02 0.04 0.00 -1.40 0.00 0.00 179.01 177.68 1mlr h ALA 84 N 1.60 0.71 -0.32 3.43 0.00 -2.00 -2.67 119.26 120.00 1mlr h ALA 84 Ca 0.36 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1mlr h ALA 84 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1mlr h ALA 84 CO -0.84 0.49 0.05 0.93 0.00 0.00 0.00 179.25 179.87 1mlr h GLU 85 N 0.78 0.47 0.00 0.00 3.07 -1.78 -3.21 114.58 113.92 1mlr h GLU 85 Ca 0.15 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1mlr h GLU 85 Cb 0.47 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1mlr h GLU 85 CO 0.02 0.46 -0.20 1.25 -1.40 0.00 0.00 179.01 179.15 1mlr h LEU 86 N 0.46 0.00 0.78 1.33 5.85 -0.94 -3.35 115.31 119.44 1mlr h LEU 86 Ca 0.11 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1mlr h LEU 86 Cb 0.23 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.27 1mlr h LEU 86 CO 0.00 0.20 -0.38 0.11 -0.34 0.00 0.00 178.44 178.03 1mlr h LYS 87 N 0.00 -1.02 0.00 1.25 1.57 -1.50 0.13 116.57 117.00 1mlr h LYS 87 Ca -0.00 0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1mlr h LYS 87 Cb 0.85 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1mlr h LYS 87 CO 0.03 -0.67 -0.21 -1.00 -0.57 0.00 0.00 179.45 177.03 1mlr h PRO 88 N -1.11 0.00 -0.03 3.15 0.13 -1.77 -1.27 132.00 131.10 1mlr h PRO 88 Ca -0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1mlr h PRO 88 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1mlr h PRO 88 CO 0.18 0.21 -0.07 1.25 -0.23 0.00 0.00 178.00 179.33 1mlr h LEU 89 N 0.00 0.11 -1.04 1.56 5.85 -1.61 -2.30 115.31 117.87 1mlr h LEU 89 Ca -0.00 -0.60 0.03 0.00 0.84 0.00 0.00 57.88 58.14 1mlr h LEU 89 Cb 0.41 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1mlr h LEU 89 CO 0.03 0.69 0.65 0.00 -0.34 0.00 0.00 178.44 179.46 1mlr h ALA 90 N 0.42 1.34 -0.53 1.25 0.00 -0.50 -2.03 119.26 119.21 1mlr h ALA 90 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1mlr h ALA 90 Cb 0.68 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1mlr h ALA 90 CO 0.02 0.58 0.08 0.37 0.00 0.00 0.00 179.25 180.30 1mlr h GLN 91 N 1.28 0.88 -0.00 0.00 4.15 -1.12 -0.43 115.11 119.86 1mlr h GLN 91 Ca 0.38 -0.24 -0.16 0.00 0.77 0.00 0.00 58.65 59.40 1mlr h GLN 91 Cb -0.06 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1mlr h GLN 91 CO -0.10 0.87 -0.74 0.66 -1.93 0.00 0.00 178.83 177.58 1mlr h SER 92 N 0.76 0.05 0.58 -0.69 4.64 -1.35 -1.36 113.55 116.17 1mlr h SER 92 Ca 0.16 -0.03 -0.24 0.00 -0.47 0.00 0.00 61.79 61.21 1mlr h SER 92 Cb 0.42 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1mlr h SER 92 CO 0.01 0.77 -1.05 0.45 -0.87 0.00 0.00 176.83 176.15 1mlr h HIS 93 N 0.02 0.42 0.03 4.77 3.86 -1.30 0.17 115.15 123.13 1mlr h HIS 93 Ca -0.01 -0.27 -0.21 0.00 -1.16 0.00 0.00 60.37 58.72 1mlr h HIS 93 Cb 1.31 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.73 1mlr h HIS 93 CO 0.00 1.14 -0.99 0.00 0.86 0.00 0.00 177.93 178.94 1mlr h ALA 94 N 0.76 0.39 0.00 2.45 0.00 -1.05 0.17 119.26 121.99 1mlr h ALA 94 Ca -0.09 -0.83 -0.19 0.00 0.00 0.00 0.00 54.91 53.80 1mlr h ALA 94 Cb 1.73 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 1mlr h ALA 94 CO 0.17 1.08 -1.71 2.41 0.00 0.00 0.00 179.25 181.19 1mlr n THR 95 N -3.49 0.71 -0.10 0.00 -1.04 -0.52 -4.08 114.28 105.76 1mlr n THR 95 Ca -0.03 -0.37 -0.14 0.00 -2.04 0.00 0.00 64.05 61.48 1mlr n THR 95 Cb 0.90 -0.83 -0.05 0.00 -1.82 0.00 0.00 70.33 68.53 1mlr n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1mlr n LYS 96 N -2.59 0.53 0.08 -2.82 4.81 -0.27 -4.69 118.16 113.22 1mlr n LYS 96 Ca -0.19 0.32 -0.22 0.00 -0.87 0.00 0.00 58.31 57.35 1mlr n LYS 96 Cb 0.79 -1.52 -0.12 0.00 0.02 0.00 0.00 35.03 34.20 1mlr n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1mlr h HIS 97 N -1.00 1.01 -4.13 5.64 3.86 -1.22 -3.49 115.15 115.82 1mlr h HIS 97 Ca -0.19 -0.62 -0.03 0.00 -1.16 0.00 0.00 60.37 58.37 1mlr h HIS 97 Cb 1.07 -0.09 0.02 0.00 1.06 0.00 0.00 27.41 29.47 1mlr h HIS 97 CO -0.27 1.46 -0.10 1.63 0.86 0.00 0.00 177.93 181.51 1mlr n LYS 98 N -3.79 -0.74 -3.61 2.45 4.01 -0.15 -4.99 118.16 111.34 1mlr n LYS 98 Ca -0.13 0.83 -0.40 0.00 -0.51 0.00 0.00 58.31 58.10 1mlr n LYS 98 Cb 0.97 -3.52 -0.11 0.00 -0.51 0.00 0.00 35.03 31.85 1mlr n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1mlr s ILE 99 N -3.05 4.58 0.73 -0.18 -1.09 -0.13 -5.02 121.20 117.04 1mlr s ILE 99 Ca 0.06 -0.77 -0.15 0.00 -2.23 0.00 0.00 60.65 57.55 1mlr s ILE 99 Cb -0.01 -3.51 0.04 0.00 -1.58 0.00 0.00 42.46 37.39 1mlr s ILE 99 CO 0.35 -0.18 1.22 -2.16 -1.23 0.00 0.00 174.94 172.95 1mlr s PRO 100 N 1.57 2.14 0.24 2.79 0.04 -1.26 -4.82 135.00 135.69 1mlr s PRO 100 Ca 0.03 1.81 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 1mlr s PRO 100 Cb -0.19 -1.83 0.39 0.00 0.04 0.00 0.00 34.50 32.91 1mlr s PRO 100 CO 0.07 -1.85 1.80 0.82 0.04 0.00 0.00 177.00 177.88 1mlr h ILE 101 N -0.24 0.89 -0.99 0.56 1.08 -1.85 0.59 117.51 117.55 1mlr h ILE 101 Ca -0.48 -0.25 0.22 0.00 -0.39 0.00 0.00 64.86 63.96 1mlr h ILE 101 Cb 1.30 0.08 -0.10 0.00 -3.07 0.00 0.00 36.82 35.04 1mlr h ILE 101 CO 0.50 0.14 0.63 0.50 -0.69 0.00 0.00 178.15 179.22 1mlr h LYS 102 N 0.74 0.54 -0.20 2.37 1.63 -1.91 -1.39 116.57 118.35 1mlr h LYS 102 Ca 0.39 -0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 60.02 1mlr h LYS 102 Cb 0.37 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1mlr h LYS 102 CO -0.26 0.36 -0.46 1.88 -3.45 0.00 0.00 179.45 177.53 1mlr h TYR 103 N 0.56 0.62 0.00 1.91 -1.99 -1.23 -1.55 116.97 115.29 1mlr h TYR 103 Ca 0.57 -0.19 -0.04 0.00 2.00 0.00 0.00 58.73 61.06 1mlr h TYR 103 Cb 1.17 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.77 1mlr h TYR 103 CO -0.00 0.88 -0.20 -0.07 -0.00 0.00 0.00 178.16 178.76 1mlr h LEU 104 N 0.41 0.00 -0.21 3.88 3.38 -1.22 -1.70 115.31 119.85 1mlr h LEU 104 Ca 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1mlr h LEU 104 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1mlr h LEU 104 CO 0.09 0.20 -0.53 -0.33 0.09 0.00 0.00 178.44 177.96 1mlr h GLU 105 N 0.00 0.73 -0.66 1.13 5.08 -0.67 -1.98 114.58 118.20 1mlr h GLU 105 Ca -0.00 -0.50 0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1mlr h GLU 105 Cb 0.44 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1mlr h GLU 105 CO 0.03 1.12 0.40 0.74 -1.00 0.00 0.00 179.01 180.30 1mlr h PHE 106 N 0.44 0.74 0.00 4.33 0.04 -0.98 -1.50 116.94 120.02 1mlr h PHE 106 Ca -0.01 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1mlr h PHE 106 Cb 1.14 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 1mlr h PHE 106 CO 0.09 0.40 -0.18 0.97 -0.60 0.00 0.00 178.31 178.99 1mlr h ILE 107 N 0.77 0.38 -0.54 -0.55 2.10 -1.28 -2.18 117.51 116.20 1mlr h ILE 107 Ca 0.28 -1.19 -0.11 0.00 1.08 0.00 0.00 64.86 64.91 1mlr h ILE 107 Cb 0.07 1.90 -0.02 0.00 -1.09 0.00 0.00 36.82 37.69 1mlr h ILE 107 CO -0.13 0.18 -0.10 0.28 -1.08 0.00 0.00 178.15 177.29 1mlr h SER 108 N 0.00 1.02 -0.41 2.19 0.02 -0.52 0.18 113.55 116.04 1mlr h SER 108 Ca -0.00 -0.34 -0.11 0.00 -0.84 0.00 0.00 61.79 60.50 1mlr h SER 108 Cb 0.89 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1mlr h SER 108 CO 0.02 1.13 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.61 1mlr h GLU 109 N 0.91 0.89 -0.21 3.45 4.81 -1.10 -1.49 114.58 121.83 1mlr h GLU 109 Ca 0.14 -0.34 -0.11 0.00 -0.13 0.00 0.00 59.36 58.93 1mlr h GLU 109 Cb 0.67 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1mlr h GLU 109 CO 0.05 0.98 -0.32 0.00 -0.73 0.00 0.00 179.01 178.99 1mlr h ALA 110 N 1.03 1.05 -0.33 2.92 0.00 -0.74 -1.03 119.26 122.16 1mlr h ALA 110 Ca 0.12 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1mlr h ALA 110 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1mlr h ALA 110 CO 0.05 0.58 -0.07 0.82 0.00 0.00 0.00 179.25 180.63 1mlr h ILE 111 N 0.38 1.28 -0.08 0.00 2.04 -0.24 -1.66 117.51 119.23 1mlr h ILE 111 Ca 0.05 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.71 1mlr h ILE 111 Cb 0.75 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1mlr h ILE 111 CO 0.06 0.36 -0.29 0.40 0.00 0.00 0.00 178.15 178.68 1mlr h ILE 112 N 0.42 1.24 -0.22 -0.67 2.04 -1.12 -0.76 117.51 118.45 1mlr h ILE 112 Ca 0.08 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 1mlr h ILE 112 Cb 0.57 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1mlr h ILE 112 CO 0.03 0.34 -0.05 -0.74 0.00 0.00 0.00 178.15 177.74 1mlr h HIS 113 N 0.13 0.46 -0.29 1.37 2.76 -0.92 -1.71 115.15 116.96 1mlr h HIS 113 Ca 0.02 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.02 1mlr h HIS 113 Cb 0.59 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 1mlr h HIS 113 CO 0.01 0.65 -0.08 0.28 -1.30 0.00 0.00 177.93 177.48 1mlr h VAL 114 N 0.15 1.28 -0.71 5.26 2.07 -0.92 -1.50 116.25 121.88 1mlr h VAL 114 Ca 0.06 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.46 1mlr h VAL 114 Cb 0.49 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1mlr h VAL 114 CO 0.02 0.36 0.47 -0.07 0.02 0.00 0.00 177.57 178.37 1mlr h LEU 115 N 0.33 0.81 -1.20 2.57 3.38 -1.11 -1.37 115.31 118.72 1mlr h LEU 115 Ca 0.07 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1mlr h LEU 115 Cb 0.57 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1mlr h LEU 115 CO 0.03 0.58 0.55 -0.74 0.09 0.00 0.00 178.44 178.95 1mlr h HIS 116 N 0.96 1.01 -0.12 1.13 2.76 -1.20 -0.73 115.15 118.95 1mlr h HIS 116 Ca 0.27 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.33 1mlr h HIS 116 Cb -0.10 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 28.53 1mlr h HIS 116 CO -0.03 0.60 -0.43 0.77 -1.30 0.00 0.00 177.93 177.54 1mlr h SER 117 N 1.06 0.59 0.25 3.26 0.02 -0.49 -3.29 113.55 114.96 1mlr h SER 117 Ca 0.32 -0.62 -0.34 0.00 -0.84 0.00 0.00 61.79 60.31 1mlr h SER 117 Cb -0.02 -0.17 0.04 0.00 0.14 0.00 0.00 62.40 62.38 1mlr h SER 117 CO -0.09 1.11 -1.52 0.03 -1.14 0.00 0.00 176.83 175.22 1mlr h ARG 118 N 0.10 0.53 -1.81 3.45 3.08 -1.29 -3.40 114.38 115.05 1mlr h ARG 118 Ca -0.02 -0.91 -0.63 0.00 0.07 0.00 0.00 59.98 58.48 1mlr h ARG 118 Cb 1.07 0.34 -0.39 0.00 0.08 0.00 0.00 29.97 31.07 1mlr h ARG 118 CO 0.09 1.44 -0.30 0.72 -1.07 0.00 0.00 179.97 180.85 1mlr n HIS 119 N -3.71 3.44 0.17 3.04 8.25 -0.28 -4.94 115.22 121.19 1mlr n HIS 119 Ca -0.18 -3.14 0.09 0.00 -0.26 0.00 0.00 57.72 54.24 1mlr n HIS 119 Cb 1.11 -0.43 0.61 0.00 1.12 0.00 0.00 29.99 32.40 1mlr n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mlr h PRO 120 N 2.84 0.09 0.00 -0.41 0.13 -1.72 -0.03 132.00 132.90 1mlr h PRO 120 Ca 0.32 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.43 1mlr h PRO 120 Cb 0.64 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 1mlr h PRO 120 CO 0.96 0.06 -0.10 0.78 -0.23 0.00 0.00 178.00 179.47 1mlr h GLY 121 N 0.09 0.00 -1.12 1.56 0.00 -1.92 -2.77 103.07 98.92 1mlr h GLY 121 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1mlr h GLY 121 CO -0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.23 1mlr n ASN 122 N -3.13 2.76 -2.96 0.19 3.02 -0.53 -4.62 115.26 109.98 1mlr n ASN 122 Ca 0.03 -1.96 -0.18 0.00 -0.03 0.00 0.00 54.58 52.44 1mlr n ASN 122 Cb 0.55 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1mlr n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1mlr n PHE 123 N 0.42 1.42 -1.79 3.10 7.35 -0.14 -4.64 117.46 123.18 1mlr n PHE 123 Ca 0.10 -3.55 -0.30 0.00 -0.76 0.00 0.00 57.45 52.94 1mlr n PHE 123 Cb 0.40 -0.39 0.20 0.00 0.35 0.00 0.00 39.48 40.03 1mlr n PHE 123 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1mlr s GLY 124 N -2.88 1.75 0.20 7.13 0.00 -1.25 -4.61 107.32 107.66 1mlr s GLY 124 Ca 0.39 -1.18 -0.16 0.00 0.00 0.00 0.00 44.72 43.77 1mlr s GLY 124 CO -0.07 -0.38 1.61 0.00 0.00 0.00 0.00 173.10 174.26 1mlr h ALA 125 N -1.82 0.26 -0.46 3.20 0.00 -1.98 0.45 119.26 118.91 1mlr h ALA 125 Ca -0.44 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1mlr h ALA 125 Cb 1.24 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 1mlr h ALA 125 CO 0.36 -0.51 0.20 -0.44 0.00 0.00 0.00 179.25 178.87 1mlr h ASP 126 N -0.06 0.62 -0.45 0.00 3.32 -1.99 -0.10 116.42 117.75 1mlr h ASP 126 Ca 0.28 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1mlr h ASP 126 Cb 0.50 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1mlr h ASP 126 CO -0.65 0.59 0.06 0.00 -1.72 0.00 0.00 179.24 177.52 1mlr h ALA 127 N 1.05 1.13 -0.49 3.45 0.00 -1.81 -1.03 119.26 121.56 1mlr h ALA 127 Ca 0.16 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1mlr h ALA 127 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1mlr h ALA 127 CO -0.02 0.57 -0.08 0.37 0.00 0.00 0.00 179.25 180.09 1mlr h GLN 128 N 0.78 0.93 -0.09 0.00 4.15 -0.72 -0.40 115.11 119.77 1mlr h GLN 128 Ca 0.16 -0.34 -0.05 0.00 0.77 0.00 0.00 58.65 59.19 1mlr h GLN 128 Cb 0.39 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1mlr h GLN 128 CO 0.01 1.00 -0.17 0.78 -1.93 0.00 0.00 178.83 178.52 1mlr h GLY 129 N 0.79 0.16 1.01 2.39 0.00 -0.73 -0.58 103.07 106.10 1mlr h GLY 129 Ca 0.13 -0.10 -0.17 0.00 0.00 0.00 0.00 47.33 47.19 1mlr h GLY 129 CO 0.04 0.09 -0.54 0.00 0.00 0.00 0.00 176.54 176.14 1mlr h ALA 130 N 1.69 0.30 -0.53 3.60 0.00 -0.86 -0.62 119.26 122.85 1mlr h ALA 130 Ca 0.03 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1mlr h ALA 130 Cb 0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1mlr h ALA 130 CO 0.03 0.51 0.35 1.98 0.00 0.00 0.00 179.25 182.11 1mlr h MET 131 N 0.37 0.69 -0.73 0.00 -1.53 -0.82 0.32 114.93 113.22 1mlr h MET 131 Ca -0.02 -0.04 0.04 0.00 -3.44 0.00 0.00 59.70 56.24 1mlr h MET 131 Cb 1.16 -0.16 -0.05 0.00 -0.55 0.00 0.00 31.60 32.00 1mlr h MET 131 CO 0.11 0.46 0.45 -0.97 0.14 0.00 0.00 176.91 177.10 1mlr h ASN 132 N 0.71 0.73 -0.68 1.39 -1.24 -1.03 -0.95 115.58 114.50 1mlr h ASN 132 Ca 0.19 0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.22 1mlr h ASN 132 Cb -0.08 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 38.79 1mlr h ASN 132 CO -0.04 0.49 0.45 0.50 -1.29 0.00 0.00 177.43 177.54 1mlr h LYS 133 N 0.86 0.90 -0.09 6.67 3.64 -0.70 0.53 116.57 128.38 1mlr h LYS 133 Ca 0.30 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 1mlr h LYS 133 Cb 0.06 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1mlr h LYS 133 CO -0.13 0.59 -0.35 0.00 -2.27 0.00 0.00 179.45 177.30 1mlr h ALA 134 N 1.25 1.26 0.00 5.00 0.00 -0.59 -0.51 119.26 125.67 1mlr h ALA 134 Ca 0.25 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1mlr h ALA 134 Cb -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1mlr h ALA 134 CO -0.06 0.51 -1.07 -0.07 0.00 0.00 0.00 179.25 178.57 1mlr h LEU 135 N 0.15 0.00 -0.54 0.00 3.38 -0.93 -1.27 115.31 116.10 1mlr h LEU 135 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1mlr h LEU 135 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1mlr h LEU 135 CO 0.05 0.89 -0.12 -0.33 0.09 0.00 0.00 178.44 179.03 1mlr h GLU 136 N 0.00 1.03 0.51 1.13 5.08 -0.72 -1.05 114.58 120.56 1mlr h GLU 136 Ca -0.07 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1mlr h GLU 136 Cb 1.74 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 1mlr h GLU 136 CO 0.10 1.08 -0.35 1.25 -1.00 0.00 0.00 179.01 180.09 1mlr h LEU 137 N 0.91 -0.89 -0.72 1.33 5.85 -0.79 -0.43 115.31 120.56 1mlr h LEU 137 Ca 0.14 0.06 0.16 0.00 0.84 0.00 0.00 57.88 59.08 1mlr h LEU 137 Cb 0.69 0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.87 1mlr h LEU 137 CO 0.05 -0.53 0.05 0.15 -0.34 0.00 0.00 178.44 177.82 1mlr h PHE 138 N -0.83 0.03 -0.55 1.25 3.57 -1.14 -2.04 116.94 117.23 1mlr h PHE 138 Ca -0.06 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1mlr h PHE 138 Cb 0.69 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1mlr h PHE 138 CO -0.12 -0.19 0.11 0.00 -2.23 0.00 0.00 178.31 175.87 1mlr h ARG 139 N 0.14 0.87 -0.50 1.11 3.08 -0.80 0.60 114.38 118.88 1mlr h ARG 139 Ca 0.39 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 60.15 1mlr h ARG 139 Cb 0.68 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1mlr h ARG 139 CO -0.60 0.80 -0.08 -0.22 -1.07 0.00 0.00 179.97 178.80 1mlr h LYS 140 N 0.83 0.94 -0.08 0.04 3.64 -0.80 0.33 116.57 121.47 1mlr h LYS 140 Ca 0.18 -0.34 -0.20 0.00 -1.27 0.00 0.00 60.65 59.01 1mlr h LYS 140 Cb 0.34 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1mlr h LYS 140 CO 0.00 1.00 -0.79 -0.44 -2.27 0.00 0.00 179.45 176.95 1mlr h ASP 141 N 0.80 0.60 -0.39 4.20 5.19 -1.19 -1.44 116.42 124.20 1mlr h ASP 141 Ca 0.13 -0.41 -0.08 0.00 -0.62 0.00 0.00 57.03 56.05 1mlr h ASP 141 Cb 0.63 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1mlr h ASP 141 CO 0.04 1.18 -0.06 0.40 -3.12 0.00 0.00 179.24 177.68 1mlr h ILE 142 N 0.32 1.27 -0.91 0.35 1.08 -0.81 -1.78 117.51 117.05 1mlr h ILE 142 Ca -0.05 -1.11 0.04 0.00 -0.39 0.00 0.00 64.86 63.35 1mlr h ILE 142 Cb 1.39 1.21 -0.05 0.00 -3.07 0.00 0.00 36.82 36.30 1mlr h ILE 142 CO 0.14 0.37 0.59 0.00 -0.69 0.00 0.00 178.15 178.57 1mlr h ALA 143 N 0.85 1.43 -0.27 1.87 0.00 -0.77 0.08 119.26 122.44 1mlr h ALA 143 Ca 0.10 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1mlr h ALA 143 Cb 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1mlr h ALA 143 CO 0.03 0.49 -0.31 0.00 0.00 0.00 0.00 179.25 179.46 1mlr h ALA 144 N 1.47 0.96 -0.14 0.00 0.00 -1.06 -2.12 119.26 118.36 1mlr h ALA 144 Ca 0.36 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1mlr h ALA 144 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1mlr h ALA 144 CO -0.11 0.61 -0.58 0.87 0.00 0.00 0.00 179.25 180.05 1mlr h LYS 145 N 0.49 0.45 -0.28 0.00 6.56 -0.78 -2.45 116.57 120.57 1mlr h LYS 145 Ca 0.06 -0.30 0.05 0.00 -1.06 0.00 0.00 60.65 59.40 1mlr h LYS 145 Cb 0.78 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.43 1mlr h LYS 145 CO 0.06 0.90 0.01 1.88 -2.06 0.00 0.00 179.45 180.25 1mlr h TYR 146 N 0.34 0.01 -0.55 -1.35 -1.99 -0.61 -0.73 116.97 112.08 1mlr h TYR 146 Ca 0.00 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.80 1mlr h TYR 146 Cb 1.11 0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.82 1mlr h TYR 146 CO 0.04 -0.03 0.28 -0.22 -0.00 0.00 0.00 178.16 178.23 1mlr h LYS 147 N 0.10 0.52 0.00 4.88 3.64 -1.22 -0.29 116.57 124.20 1mlr h LYS 147 Ca 0.13 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1mlr h LYS 147 Cb 0.17 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1mlr h LYS 147 CO -0.21 0.34 -0.25 0.93 -2.27 0.00 0.00 179.45 177.99 1mlr h GLU 148 N 0.54 0.00 0.00 1.90 5.08 -0.99 -1.82 114.58 119.29 1mlr h GLU 148 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1mlr h GLU 148 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1mlr h GLU 148 CO -0.17 0.25 -0.24 1.28 -1.00 0.00 0.00 179.01 179.13 1mlr n LEU 149 N -3.83 0.37 0.00 1.33 4.77 -0.32 -4.93 117.00 114.38 1mlr n LEU 149 Ca -0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1mlr n LEU 149 Cb 0.34 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1mlr n LEU 149 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1mlr n GLY 150 N 1.45 1.03 0.34 -0.72 0.00 -0.47 -4.98 105.19 101.83 1mlr n GLY 150 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1mlr n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1mlr n TYR 151 N -1.83 0.00 -1.90 1.61 9.36 -0.24 -5.00 117.16 119.15 1mlr n TYR 151 Ca 0.00 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.18 1mlr n TYR 151 Cb 0.00 -0.47 0.00 0.00 -0.63 0.00 0.00 39.34 38.24 1mlr n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1mlr n GLN 152 N -3.24 -0.21 0.00 2.98 0.00 -1.09 -4.88 117.38 110.94 1mlr n GLN 152 Ca -0.24 0.13 0.07 0.00 -0.00 0.00 0.00 57.00 56.96 1mlr n GLN 152 Cb 0.71 -0.24 0.06 0.00 0.00 0.00 0.00 30.24 30.76 1mlr n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47