#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mlq s VAL 1 N 0.00 0.36 0.30 3.17 1.01 -1.26 -5.06 120.40 118.92 1mlq s VAL 1 Ca 0.00 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 1mlq s VAL 1 Cb 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 36.38 35.79 1mlq s VAL 1 CO 0.00 0.24 0.81 -0.76 0.00 0.00 0.00 175.10 175.39 1mlq s LEU 2 N 1.72 4.22 0.67 3.92 1.02 -1.26 -5.09 118.68 123.88 1mlq s LEU 2 Ca 0.01 1.53 -0.10 0.00 0.02 0.00 0.00 54.13 55.59 1mlq s LEU 2 Cb -0.13 -3.94 0.01 0.00 0.02 0.00 0.00 46.19 42.16 1mlq s LEU 2 CO -0.04 -0.10 1.03 -0.94 0.02 0.00 0.00 176.35 176.32 1mlq s SER 3 N -1.85 5.49 0.25 2.29 1.04 -1.26 -4.89 113.70 114.77 1mlq s SER 3 Ca 0.50 1.00 -0.06 0.00 0.48 0.00 0.00 55.95 57.87 1mlq s SER 3 Cb -0.15 -1.86 0.28 0.00 0.10 0.00 0.00 66.02 64.39 1mlq s SER 3 CO 0.20 -1.25 1.92 -0.08 0.98 0.00 0.00 173.24 175.01 1mlq h GLU 4 N -0.50 1.31 -0.99 4.02 4.57 -1.99 -1.94 114.58 119.06 1mlq h GLU 4 Ca -0.45 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 57.69 1mlq h GLU 4 Cb 1.25 -0.30 -0.06 0.00 -0.16 0.00 0.00 28.75 29.49 1mlq h GLU 4 CO 0.63 0.87 0.65 0.78 -1.18 0.00 0.00 179.01 180.75 1mlq h GLY 5 N 1.35 1.45 0.97 1.92 0.00 -1.99 -0.08 103.07 106.69 1mlq h GLY 5 Ca 0.38 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1mlq h GLY 5 CO -0.09 0.41 0.04 0.83 0.00 0.00 0.00 176.54 177.73 1mlq h GLU 6 N 1.24 0.78 -0.75 4.80 5.08 -1.78 -2.24 114.58 121.71 1mlq h GLU 6 Ca 0.40 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1mlq h GLU 6 Cb 0.03 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1mlq h GLU 6 CO -0.13 0.82 0.41 -1.49 -1.00 0.00 0.00 179.01 177.61 1mlq h TRP 7 N 0.63 1.02 -0.56 4.33 -0.00 -1.01 -1.82 115.95 118.53 1mlq h TRP 7 Ca 0.13 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.99 1mlq h TRP 7 Cb 0.44 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.16 29.25 1mlq h TRP 7 CO 0.03 0.71 0.31 1.96 -0.00 0.00 0.00 178.44 181.46 1mlq h GLN 8 N 1.04 0.77 -0.12 0.49 1.08 -0.66 0.20 115.11 117.92 1mlq h GLN 8 Ca 0.26 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1mlq h GLN 8 Cb 0.03 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 1mlq h GLN 8 CO -0.04 0.59 0.08 -0.07 -0.95 0.00 0.00 178.83 178.43 1mlq h LEU 9 N 0.75 0.12 0.14 1.46 3.38 -0.81 -0.56 115.31 119.80 1mlq h LEU 9 Ca 0.20 -0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.86 1mlq h LEU 9 Cb 0.03 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 40.78 1mlq h LEU 9 CO -0.03 0.09 -1.27 0.58 0.09 0.00 0.00 178.44 177.90 1mlq h VAL 10 N 0.14 1.29 0.00 1.22 2.07 -0.64 -2.70 116.25 117.62 1mlq h VAL 10 Ca 0.04 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1mlq h VAL 10 Cb 0.00 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1mlq h VAL 10 CO -0.01 0.75 -0.24 0.18 0.02 0.00 0.00 177.57 178.27 1mlq n LEU 11 N -3.80 0.41 0.06 2.57 4.77 0.64 -1.29 117.00 120.35 1mlq n LEU 11 Ca -0.14 0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 1mlq n LEU 11 Cb 1.00 -0.34 -0.14 0.00 -2.33 0.00 0.00 43.42 41.60 1mlq n LEU 11 CO 0.58 -0.01 0.03 -0.74 -1.33 0.00 0.00 177.39 175.93 1mlq h HIS 12 N 0.00 0.63 0.00 -1.77 2.76 -0.99 -1.76 115.15 114.02 1mlq h HIS 12 Ca 0.00 -0.44 -0.06 0.00 -2.20 0.00 0.00 60.37 57.67 1mlq h HIS 12 Cb 0.59 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1mlq h HIS 12 CO 0.00 1.33 -0.30 -0.24 -1.30 0.00 0.00 177.93 177.42 1mlq h VAL 13 N -0.25 0.59 -0.05 5.26 3.04 -1.28 -2.98 116.25 120.59 1mlq h VAL 13 Ca -0.15 -1.51 -0.11 0.00 -1.01 0.00 0.00 66.70 63.92 1mlq h VAL 13 Cb 1.68 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 32.99 1mlq h VAL 13 CO 0.17 0.29 -0.46 -0.25 -1.01 0.00 0.00 177.57 176.31 1mlq h TRP 14 N 0.00 0.14 0.00 3.17 2.91 -1.04 -1.65 115.95 119.47 1mlq h TRP 14 Ca -0.00 -0.04 -0.02 0.00 1.13 0.00 0.00 58.89 59.95 1mlq h TRP 14 Cb 1.02 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.64 1mlq h TRP 14 CO 0.00 0.56 -0.11 0.00 -1.03 0.00 0.00 178.44 177.86 1mlq h ALA 15 N 1.43 1.44 0.07 2.65 0.00 -1.16 -1.44 119.26 122.26 1mlq h ALA 15 Ca 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1mlq h ALA 15 Cb 0.86 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.64 1mlq h ALA 15 CO 0.07 0.14 -0.61 0.87 0.00 0.00 0.00 179.25 179.71 1mlq h LYS 16 N 0.00 0.30 -0.71 0.00 1.79 -1.38 -3.20 116.57 113.36 1mlq h LYS 16 Ca -0.00 -0.41 0.12 0.00 -2.18 0.00 0.00 60.65 58.18 1mlq h LYS 16 Cb 0.26 0.14 -0.09 0.00 -1.58 0.00 0.00 32.23 30.97 1mlq h LYS 16 CO 0.01 1.14 0.29 0.28 -1.08 0.00 0.00 179.45 180.10 1mlq h VAL 17 N -0.35 0.72 0.00 0.50 2.07 -0.95 -2.18 116.25 116.05 1mlq h VAL 17 Ca -0.10 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1mlq h VAL 17 Cb 1.41 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1mlq h VAL 17 CO 0.12 0.08 0.00 -0.62 0.02 0.00 0.00 177.57 177.17 1mlq n GLU 18 N -4.98 0.02 0.27 1.57 1.02 -0.58 -1.51 120.64 116.44 1mlq n GLU 18 Ca 0.12 0.44 0.16 0.00 -0.02 0.00 0.00 57.16 57.87 1mlq n GLU 18 Cb 0.36 -1.55 0.63 0.00 -0.02 0.00 0.00 31.44 30.86 1mlq n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mlq h ALA 19 N 2.14 1.01 -1.65 0.62 0.00 -1.39 -3.36 119.26 116.64 1mlq h ALA 19 Ca 0.00 -0.04 -0.48 0.00 0.00 0.00 0.00 54.91 54.39 1mlq h ALA 19 Cb 0.08 -0.01 -0.33 0.00 0.00 0.00 0.00 17.79 17.53 1mlq h ALA 19 CO 0.00 0.05 -0.94 -3.47 0.00 0.00 0.00 179.25 174.89 1mlq n ASP 20 N -3.15 -0.73 -0.08 0.00 2.03 -0.57 -5.02 116.55 109.03 1mlq n ASP 20 Ca 0.01 -2.76 -0.10 0.00 0.52 0.00 0.00 54.79 52.46 1mlq n ASP 20 Cb 0.33 -0.03 -0.02 0.00 -0.72 0.00 0.00 41.12 40.68 1mlq n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mlq h VAL 21 N 2.85 1.12 -0.26 5.18 2.07 -1.70 -2.23 116.25 123.28 1mlq h VAL 21 Ca 0.07 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1mlq h VAL 21 Cb 0.93 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1mlq h VAL 21 CO 0.39 0.12 0.11 0.00 0.02 0.00 0.00 177.57 178.22 1mlq h ALA 22 N 1.04 0.34 -0.57 1.67 0.00 -1.91 -0.34 119.26 119.49 1mlq h ALA 22 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mlq h ALA 22 Cb 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1mlq h ALA 22 CO -0.02 -0.08 0.36 0.78 0.00 0.00 0.00 179.25 180.30 1mlq h GLY 23 N 0.28 0.81 0.94 0.00 0.00 -1.94 -1.48 103.07 101.69 1mlq h GLY 23 Ca 0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1mlq h GLY 23 CO -0.01 0.31 0.14 0.45 0.00 0.00 0.00 176.54 177.43 1mlq h HIS 24 N 0.77 0.64 -0.43 5.60 3.86 -1.31 -1.96 115.15 122.31 1mlq h HIS 24 Ca 0.21 -0.06 0.08 0.00 -1.16 0.00 0.00 60.37 59.44 1mlq h HIS 24 Cb -0.06 -0.19 -0.08 0.00 1.06 0.00 0.00 27.41 28.14 1mlq h HIS 24 CO -0.03 0.58 -0.04 0.78 0.86 0.00 0.00 177.93 180.08 1mlq h GLY 25 N 0.52 0.39 0.76 2.45 0.00 -0.91 -1.60 103.07 104.69 1mlq h GLY 25 Ca 0.13 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 1mlq h GLY 25 CO -0.01 -0.13 -0.48 1.46 0.00 0.00 0.00 176.54 177.38 1mlq h GLN 26 N 0.07 -1.10 -0.74 4.80 4.20 -1.23 -2.42 115.11 118.68 1mlq h GLN 26 Ca 0.21 0.08 0.09 0.00 0.06 0.00 0.00 58.65 59.09 1mlq h GLN 26 Cb 0.32 0.25 -0.12 0.00 0.30 0.00 0.00 27.48 28.23 1mlq h GLN 26 CO -0.39 -0.73 -0.48 -0.44 -0.67 0.00 0.00 178.83 176.11 1mlq h ASP 27 N -1.14 -1.71 -0.04 1.46 5.19 -1.20 -1.68 116.42 117.30 1mlq h ASP 27 Ca -0.09 0.28 0.04 0.00 -0.62 0.00 0.00 57.03 56.63 1mlq h ASP 27 Cb 0.93 0.78 -0.06 0.00 0.18 0.00 0.00 39.33 41.16 1mlq h ASP 27 CO 0.07 -0.31 -0.35 0.40 -3.12 0.00 0.00 179.24 175.93 1mlq h ILE 28 N -0.15 0.25 -0.87 0.35 2.04 -1.33 -0.92 117.51 116.88 1mlq h ILE 28 Ca 0.19 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 1mlq h ILE 28 Cb 0.53 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1mlq h ILE 28 CO -0.80 0.00 0.54 -0.07 0.00 0.00 0.00 178.15 177.82 1mlq h LEU 29 N -0.48 1.03 -0.16 1.44 3.38 -1.26 -0.16 115.31 119.11 1mlq h LEU 29 Ca 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1mlq h LEU 29 Cb 0.58 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1mlq h LEU 29 CO -0.31 0.78 0.07 0.40 0.09 0.00 0.00 178.44 179.48 1mlq h ILE 30 N 1.19 1.14 -0.78 1.22 2.04 -1.30 -0.04 117.51 120.98 1mlq h ILE 30 Ca 0.31 -0.40 0.11 0.00 1.00 0.00 0.00 64.86 65.88 1mlq h ILE 30 Cb -0.07 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1mlq h ILE 30 CO -0.06 0.13 0.51 -0.09 0.00 0.00 0.00 178.15 178.64 1mlq h ARG 31 N 0.12 0.63 -0.19 2.37 9.65 -0.83 0.27 114.38 126.40 1mlq h ARG 31 Ca 0.05 -0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 58.78 1mlq h ARG 31 Cb 0.14 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1mlq h ARG 31 CO -0.01 0.42 -0.32 1.25 2.80 0.00 0.00 179.97 184.12 1mlq h LEU 32 N 0.65 0.61 -0.58 3.80 5.85 -0.58 0.41 115.31 125.47 1mlq h LEU 32 Ca 0.36 -0.53 -0.15 0.00 0.84 0.00 0.00 57.88 58.40 1mlq h LEU 32 Cb 0.53 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1mlq h LEU 32 CO -0.14 1.02 -0.53 -0.26 -0.34 0.00 0.00 178.44 178.19 1mlq h PHE 33 N 0.22 0.60 -0.20 1.25 0.04 -0.59 0.27 116.94 118.54 1mlq h PHE 33 Ca 0.02 -0.21 -0.10 0.00 2.80 0.00 0.00 57.97 60.48 1mlq h PHE 33 Cb 0.90 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 1mlq h PHE 33 CO 0.09 0.91 -0.25 0.87 -0.60 0.00 0.00 178.31 179.33 1mlq h LYS 34 N 0.38 0.52 -0.45 1.51 1.57 -0.19 -2.92 116.57 116.98 1mlq h LYS 34 Ca 0.01 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.38 1mlq h LYS 34 Cb 1.06 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1mlq h LYS 34 CO 0.10 0.89 -0.19 0.77 -0.57 0.00 0.00 179.45 180.44 1mlq h SER 35 N 0.19 0.94 -2.71 0.86 0.02 -0.81 -3.38 113.55 108.65 1mlq h SER 35 Ca 0.02 -0.39 -0.60 0.00 -0.84 0.00 0.00 61.79 59.98 1mlq h SER 35 Cb 0.82 -0.26 -0.40 0.00 0.14 0.00 0.00 62.40 62.70 1mlq h SER 35 CO 0.06 1.12 -0.81 -1.00 -1.14 0.00 0.00 176.83 175.07 1mlq s HIS 36 N -4.67 2.10 0.53 3.45 3.76 0.08 -5.00 115.29 115.53 1mlq s HIS 36 Ca -0.12 -2.72 0.25 0.00 -0.15 0.00 0.00 55.06 52.32 1mlq s HIS 36 Cb 0.11 -1.66 1.38 0.00 1.11 0.00 0.00 32.58 33.52 1mlq s HIS 36 CO 0.85 -0.71 2.00 -1.35 -0.85 0.00 0.00 174.74 174.68 1mlq h PRO 37 N 5.61 0.01 0.00 8.40 0.11 -1.70 0.91 132.00 145.35 1mlq h PRO 37 Ca 0.20 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 1mlq h PRO 37 Cb 0.85 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1mlq h PRO 37 CO 0.51 0.01 -0.01 1.05 -0.21 0.00 0.00 178.00 179.35 1mlq h GLU 38 N 0.01 0.00 0.00 1.05 9.09 -1.92 -1.57 114.58 121.24 1mlq h GLU 38 Ca 0.25 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.59 1mlq h GLU 38 Cb 0.97 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.06 1mlq h GLU 38 CO -0.01 0.01 -0.30 1.79 0.05 0.00 0.00 179.01 180.55 1mlq h THR 39 N 0.00 0.80 -0.14 -1.06 1.35 -1.15 -2.69 112.91 110.02 1mlq h THR 39 Ca -0.00 -1.26 -0.01 0.00 -0.55 0.00 0.00 66.41 64.59 1mlq h THR 39 Cb 0.01 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1mlq h THR 39 CO 0.00 0.30 0.04 0.25 -0.25 0.00 0.00 175.52 175.86 1mlq h LEU 40 N 0.00 0.17 -2.36 3.87 5.85 -1.44 -1.23 115.31 120.17 1mlq h LEU 40 Ca -0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1mlq h LEU 40 Cb 0.76 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1mlq h LEU 40 CO 0.04 0.18 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.96 1mlq h GLU 41 N 0.19 0.00 0.00 1.25 5.08 -1.59 -1.53 114.58 117.98 1mlq h GLU 41 Ca 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1mlq h GLU 41 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1mlq h GLU 41 CO -0.00 0.03 -0.16 0.87 -1.00 0.00 0.00 179.01 178.75 1mlq h LYS 42 N 0.00 0.00 -5.33 2.33 1.79 -1.37 -3.41 116.57 110.58 1mlq h LYS 42 Ca -0.00 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.82 1mlq h LYS 42 Cb 0.09 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 30.58 1mlq h LYS 42 CO 0.00 0.16 0.27 -0.06 -1.08 0.00 0.00 179.45 178.74 1mlq s PHE 43 N -3.76 2.93 -0.45 -1.35 0.40 -0.57 -4.90 117.98 110.28 1mlq s PHE 43 Ca -0.00 -0.33 0.25 0.00 -0.60 0.00 0.00 56.93 56.24 1mlq s PHE 43 Cb 0.10 -3.78 1.00 0.00 0.51 0.00 0.00 43.02 40.85 1mlq s PHE 43 CO 0.60 -1.18 1.74 -0.44 0.70 0.00 0.00 175.22 176.64 1mlq h ASP 44 N 9.14 0.00 0.88 1.36 3.32 -1.84 0.13 116.42 129.41 1mlq h ASP 44 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1mlq h ASP 44 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1mlq h ASP 44 CO 1.02 0.00 -0.79 -0.09 -1.72 0.00 0.00 179.24 177.66 1mlq h ARG 45 N 0.00 0.00 0.00 3.56 2.43 -1.94 -3.33 114.38 115.10 1mlq h ARG 45 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1mlq h ARG 45 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1mlq h ARG 45 CO 0.00 0.00 -0.99 1.19 -1.51 0.00 0.00 179.97 178.66 1mlq n PHE 46 N -2.31 0.00 -0.09 2.20 3.72 0.23 -4.73 117.46 116.47 1mlq n PHE 46 Ca 0.02 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.44 1mlq n PHE 46 Cb 0.48 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.06 1mlq n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1mlq n LYS 47 N -1.55 -0.02 0.20 -1.08 4.81 0.02 -1.88 118.16 118.66 1mlq n LYS 47 Ca 0.00 0.41 0.15 0.00 -0.87 0.00 0.00 58.31 57.99 1mlq n LYS 47 Cb 0.06 -0.61 0.63 0.00 0.02 0.00 0.00 35.03 35.13 1mlq n LYS 47 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 1mlq h HIS 48 N 0.00 0.00 -2.40 5.64 2.07 -1.85 -3.47 115.15 115.14 1mlq h HIS 48 Ca 0.13 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 57.11 1mlq h HIS 48 Cb 0.22 0.00 0.04 0.00 2.57 0.00 0.00 27.41 30.24 1mlq h HIS 48 CO -0.19 0.00 1.09 1.28 -3.07 0.00 0.00 177.93 177.04 1mlq n LEU 49 N -2.61 3.88 -0.07 6.12 4.77 -0.79 -4.91 117.00 123.40 1mlq n LEU 49 Ca 0.01 0.99 -0.07 0.00 -0.03 0.00 0.00 56.01 56.91 1mlq n LEU 49 Cb 0.22 -1.51 -0.15 0.00 -2.33 0.00 0.00 43.42 39.65 1mlq n LEU 49 CO 0.21 0.10 -0.96 0.29 -1.33 0.00 0.00 177.39 175.71 1mlq n LYS 50 N 5.65 0.67 -4.37 3.23 5.02 -1.26 -4.99 118.16 122.11 1mlq n LYS 50 Ca 0.19 0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.32 1mlq n LYS 50 Cb 0.36 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 1mlq n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mlq s THR 51 N -2.66 0.83 0.37 -0.18 -4.23 -1.26 -5.01 115.64 103.50 1mlq s THR 51 Ca -0.08 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.52 1mlq s THR 51 Cb 0.07 -2.68 0.12 0.00 1.34 0.00 0.00 72.50 71.36 1mlq s THR 51 CO 0.84 -0.03 1.86 -0.08 -0.54 0.00 0.00 174.62 176.67 1mlq h GLU 52 N 2.29 0.19 -0.57 3.99 4.81 -1.99 -1.19 114.58 122.10 1mlq h GLU 52 Ca -0.39 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 1mlq h GLU 52 Cb 1.24 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1mlq h GLU 52 CO 0.64 0.42 0.04 0.00 -0.73 0.00 0.00 179.01 179.38 1mlq h ALA 53 N 1.59 0.77 -0.80 2.92 0.00 -1.99 0.13 119.26 121.88 1mlq h ALA 53 Ca 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1mlq h ALA 53 Cb 0.51 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1mlq h ALA 53 CO 0.04 0.56 0.41 0.93 0.00 0.00 0.00 179.25 181.19 1mlq h GLU 54 N 0.87 1.14 -0.45 0.00 5.08 -1.69 -1.98 114.58 117.55 1mlq h GLU 54 Ca 0.17 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1mlq h GLU 54 Cb 0.49 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1mlq h GLU 54 CO 0.02 0.86 0.29 0.52 -1.00 0.00 0.00 179.01 179.70 1mlq h MET 55 N 1.12 0.60 0.00 2.33 2.86 -0.71 -2.23 114.93 118.90 1mlq h MET 55 Ca 0.28 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1mlq h MET 55 Cb 0.08 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 1mlq h MET 55 CO -0.04 0.42 -0.07 0.87 1.06 0.00 0.00 176.91 179.15 1mlq h LYS 56 N 0.60 0.00 -0.01 1.72 1.57 -0.50 -2.17 116.57 117.78 1mlq h LYS 56 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1mlq h LYS 56 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1mlq h LYS 56 CO -0.03 0.07 -0.35 0.00 -0.57 0.00 0.00 179.45 178.57 1mlq n ALA 57 N -2.49 3.27 -2.53 3.86 0.00 -0.77 -4.86 120.51 117.00 1mlq n ALA 57 Ca -0.03 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 1mlq n ALA 57 Cb 0.15 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 1mlq n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mlq s SER 58 N -2.58 6.85 0.13 0.00 0.15 -0.82 -4.90 113.70 112.54 1mlq s SER 58 Ca 0.21 1.23 -0.14 0.00 0.70 0.00 0.00 55.95 57.95 1mlq s SER 58 Cb 0.19 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.95 1mlq s SER 58 CO 0.56 -0.92 1.58 -0.08 1.20 0.00 0.00 173.24 175.58 1mlq h GLU 59 N 8.51 0.75 -0.23 5.44 4.57 -1.89 -2.81 114.58 128.92 1mlq h GLU 59 Ca -0.23 -0.24 0.06 0.00 -1.18 0.00 0.00 59.36 57.77 1mlq h GLU 59 Cb 1.08 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.54 1mlq h GLU 59 CO 1.02 0.82 -0.14 -0.44 -1.18 0.00 0.00 179.01 179.10 1mlq h ASP 60 N 0.60 -0.45 -0.79 1.04 5.19 -1.97 -0.42 116.42 119.61 1mlq h ASP 60 Ca 0.12 0.10 0.07 0.00 -0.62 0.00 0.00 57.03 56.70 1mlq h ASP 60 Cb 0.48 0.24 -0.05 0.00 0.18 0.00 0.00 39.33 40.17 1mlq h ASP 60 CO 0.02 -0.17 0.52 0.25 -3.12 0.00 0.00 179.24 176.73 1mlq h LEU 61 N -0.12 0.74 -0.41 1.55 6.46 -1.89 -1.86 115.31 119.78 1mlq h LEU 61 Ca 0.13 0.01 -0.18 0.00 -0.12 0.00 0.00 57.88 57.71 1mlq h LEU 61 Cb 0.31 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1mlq h LEU 61 CO -0.31 0.47 -0.72 0.50 -0.62 0.00 0.00 178.44 177.76 1mlq h LYS 62 N 0.84 0.42 -0.61 1.25 3.64 -1.33 -0.64 116.57 120.14 1mlq h LYS 62 Ca 0.35 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1mlq h LYS 62 Cb 0.27 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1mlq h LYS 62 CO -0.12 0.97 0.09 0.87 -2.27 0.00 0.00 179.45 178.99 1mlq h LYS 63 N 0.29 1.01 -0.18 1.90 1.57 -0.81 -2.32 116.57 118.03 1mlq h LYS 63 Ca -0.03 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.37 1mlq h LYS 63 Cb 1.29 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1mlq h LYS 63 CO 0.12 0.96 -0.33 1.25 -0.57 0.00 0.00 179.45 180.88 1mlq h HIS 64 N 0.92 0.44 -0.45 -1.35 2.76 -0.98 -1.70 115.15 114.78 1mlq h HIS 64 Ca 0.18 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1mlq h HIS 64 Cb 0.44 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 1mlq h HIS 64 CO 0.03 0.67 0.23 0.78 -1.30 0.00 0.00 177.93 178.35 1mlq h GLY 65 N 1.09 0.66 0.76 5.26 0.00 -0.59 -1.10 103.07 109.15 1mlq h GLY 65 Ca 0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 1mlq h GLY 65 CO 0.06 0.28 -0.11 -2.08 0.00 0.00 0.00 176.54 174.68 1mlq h VAL 66 N 0.63 1.33 -0.22 4.60 2.07 -0.95 -1.50 116.25 122.20 1mlq h VAL 66 Ca 0.16 -1.21 0.06 0.00 0.82 0.00 0.00 66.70 66.53 1mlq h VAL 66 Cb 0.04 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 1mlq h VAL 66 CO -0.02 0.36 -0.26 0.74 0.02 0.00 0.00 177.57 178.40 1mlq h THR 67 N 0.01 0.37 -0.25 2.57 2.02 -1.19 -0.28 112.91 116.16 1mlq h THR 67 Ca 0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.27 1mlq h THR 67 Cb 0.61 0.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 1mlq h THR 67 CO 0.03 0.00 -0.11 0.25 0.37 0.00 0.00 175.52 176.06 1mlq h LEU 68 N -0.28 -0.37 -0.65 2.58 6.46 -1.14 -2.28 115.31 119.63 1mlq h LEU 68 Ca 0.13 0.09 -0.13 0.00 -0.12 0.00 0.00 57.88 57.85 1mlq h LEU 68 Cb 0.48 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 1mlq h LEU 68 CO -0.38 -0.14 -0.30 -0.07 -0.62 0.00 0.00 178.44 176.93 1mlq h LEU 69 N -0.07 0.75 -0.20 2.25 3.38 -1.06 -1.16 115.31 119.19 1mlq h LEU 69 Ca 0.13 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1mlq h LEU 69 Cb 0.27 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1mlq h LEU 69 CO -0.30 1.00 0.00 0.74 0.09 0.00 0.00 178.44 179.98 1mlq h THR 70 N 0.62 0.86 -0.87 0.22 2.02 -1.02 -0.06 112.91 114.68 1mlq h THR 70 Ca 0.07 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1mlq h THR 70 Cb 0.82 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1mlq h THR 70 CO 0.07 0.01 0.57 0.00 0.37 0.00 0.00 175.52 176.55 1mlq h ALA 71 N 1.17 1.10 -0.22 6.16 0.00 -1.17 -1.75 119.26 124.56 1mlq h ALA 71 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1mlq h ALA 71 Cb 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1mlq h ALA 71 CO -0.16 0.50 -0.07 1.25 0.00 0.00 0.00 179.25 180.76 1mlq h LEU 72 N 1.17 0.44 -0.71 0.00 5.85 -1.17 -2.65 115.31 118.24 1mlq h LEU 72 Ca 0.32 -0.38 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1mlq h LEU 72 Cb -0.13 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.73 1mlq h LEU 72 CO -0.07 0.72 0.41 1.23 -0.34 0.00 0.00 178.44 180.39 1mlq h GLY 73 N 0.15 1.05 2.00 3.75 0.00 -0.90 -0.83 103.07 108.29 1mlq h GLY 73 Ca 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1mlq h GLY 73 CO 0.03 0.18 -0.15 0.00 0.00 0.00 0.00 176.54 176.60 1mlq h ALA 74 N 1.36 1.41 0.12 3.60 0.00 -0.99 -1.79 119.26 122.97 1mlq h ALA 74 Ca 0.32 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.80 1mlq h ALA 74 Cb 0.19 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.98 1mlq h ALA 74 CO -0.18 0.19 -1.22 0.82 0.00 0.00 0.00 179.25 178.86 1mlq h ILE 75 N 0.00 1.29 -0.45 0.00 2.04 -1.01 -2.99 117.51 116.38 1mlq h ILE 75 Ca -0.00 -2.44 -0.14 0.00 1.00 0.00 0.00 64.86 63.28 1mlq h ILE 75 Cb 0.34 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1mlq h ILE 75 CO 0.02 0.74 -0.25 -0.07 0.00 0.00 0.00 178.15 178.59 1mlq h LEU 76 N 0.25 0.99 -2.26 1.44 3.38 -0.90 -1.75 115.31 116.46 1mlq h LEU 76 Ca -0.19 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1mlq h LEU 76 Cb 1.89 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1mlq h LEU 76 CO 0.23 1.18 0.00 0.11 0.09 0.00 0.00 178.44 180.05 1mlq h LYS 77 N 0.82 0.00 0.00 1.13 1.57 -1.32 -1.10 116.57 117.67 1mlq h LYS 77 Ca 0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1mlq h LYS 77 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1mlq h LYS 77 CO 0.07 0.00 -0.01 0.87 -0.57 0.00 0.00 179.45 179.81 1mlq h LYS 78 N 0.00 0.00 -6.06 3.15 1.79 -1.16 -3.48 116.57 110.81 1mlq h LYS 78 Ca 0.00 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.04 1mlq h LYS 78 Cb 0.22 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.93 1mlq h LYS 78 CO 0.00 0.01 -0.72 1.63 -1.08 0.00 0.00 179.45 179.29 1mlq n LYS 79 N -3.11 -6.77 0.00 3.15 5.02 -0.42 -1.25 118.16 114.79 1mlq n LYS 79 Ca -0.00 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1mlq n LYS 79 Cb 0.26 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.58 1mlq n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mlq n GLY 80 N -1.84 2.84 2.85 0.72 0.00 -1.26 -4.96 105.19 103.53 1mlq n GLY 80 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1mlq n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mlq n HIS 81 N -0.96 2.84 -0.25 1.61 8.25 -0.38 -4.62 115.22 121.71 1mlq n HIS 81 Ca 0.00 -2.77 0.03 0.00 -0.26 0.00 0.00 57.72 54.73 1mlq n HIS 81 Cb 0.00 -1.88 0.08 0.00 1.12 0.00 0.00 29.99 29.30 1mlq n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mlq n HIS 82 N 3.52 0.18 -0.34 4.41 1.44 -1.26 -4.72 115.22 118.45 1mlq n HIS 82 Ca 0.40 -0.59 0.04 0.00 -2.01 0.00 0.00 57.72 55.55 1mlq n HIS 82 Cb 0.35 -0.08 0.11 0.00 0.12 0.00 0.00 29.99 30.50 1mlq n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1mlq h GLU 83 N 0.64 -0.01 -0.35 -1.40 3.07 -2.00 -1.34 114.58 113.19 1mlq h GLU 83 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1mlq h GLU 83 Cb 0.69 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1mlq h GLU 83 CO 0.01 -0.00 -0.03 0.00 -1.40 0.00 0.00 179.01 177.59 1mlq h ALA 84 N 1.82 0.48 -0.97 3.43 0.00 -2.00 -2.76 119.26 119.25 1mlq h ALA 84 Ca 0.43 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1mlq h ALA 84 Cb 0.67 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1mlq h ALA 84 CO -0.96 0.27 0.64 0.93 0.00 0.00 0.00 179.25 180.14 1mlq h GLU 85 N 0.44 1.22 0.00 0.00 3.07 -1.75 -3.20 114.58 114.36 1mlq h GLU 85 Ca 0.10 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 1mlq h GLU 85 Cb 0.50 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1mlq h GLU 85 CO 0.02 0.81 -0.33 1.25 -1.40 0.00 0.00 179.01 179.36 1mlq h LEU 86 N 1.25 0.00 0.30 1.33 5.85 -0.98 -3.35 115.31 119.71 1mlq h LEU 86 Ca 0.38 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 1mlq h LEU 86 Cb -0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1mlq h LEU 86 CO -0.11 0.33 -0.30 0.11 -0.34 0.00 0.00 178.44 178.13 1mlq h LYS 87 N 0.00 -0.58 -0.01 1.25 1.57 -1.50 0.38 116.57 117.68 1mlq h LYS 87 Ca -0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1mlq h LYS 87 Cb 0.61 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 1mlq h LYS 87 CO 0.04 -0.39 0.01 -1.00 -0.57 0.00 0.00 179.45 177.54 1mlq h PRO 88 N -0.61 0.00 -0.11 3.15 0.13 -1.77 -1.17 132.00 131.63 1mlq h PRO 88 Ca -0.04 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.91 1mlq h PRO 88 Cb 0.52 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.66 1mlq h PRO 88 CO -0.04 0.00 -0.63 1.25 -0.23 0.00 0.00 178.00 178.35 1mlq h LEU 89 N 0.00 0.74 -0.66 1.56 5.85 -1.61 -2.20 115.31 119.00 1mlq h LEU 89 Ca 0.01 -0.65 -0.10 0.00 0.84 0.00 0.00 57.88 57.97 1mlq h LEU 89 Cb 0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1mlq h LEU 89 CO -0.00 1.28 -0.07 0.00 -0.34 0.00 0.00 178.44 179.31 1mlq h ALA 90 N 0.48 0.86 -0.58 1.25 0.00 -0.67 -1.82 119.26 118.80 1mlq h ALA 90 Ca -0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1mlq h ALA 90 Cb 1.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1mlq h ALA 90 CO 0.13 0.65 -0.00 0.37 0.00 0.00 0.00 179.25 180.40 1mlq h GLN 91 N 0.88 1.01 0.05 0.00 4.15 -1.14 0.10 115.11 120.16 1mlq h GLN 91 Ca 0.15 -0.31 -0.24 0.00 0.77 0.00 0.00 58.65 59.01 1mlq h GLN 91 Cb 0.61 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1mlq h GLN 91 CO 0.04 0.99 -1.06 0.66 -1.93 0.00 0.00 178.83 177.53 1mlq h SER 92 N 0.92 0.49 0.62 -0.69 4.64 -1.36 -0.52 113.55 117.64 1mlq h SER 92 Ca 0.17 -0.44 -0.20 0.00 -0.47 0.00 0.00 61.79 60.85 1mlq h SER 92 Cb 0.54 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1mlq h SER 92 CO 0.03 1.27 -0.90 0.45 -0.87 0.00 0.00 176.83 176.81 1mlq h HIS 93 N 0.17 0.27 0.12 4.77 3.86 -1.29 0.58 115.15 123.62 1mlq h HIS 93 Ca -0.10 -0.15 -0.27 0.00 -1.16 0.00 0.00 60.37 58.69 1mlq h HIS 93 Cb 1.72 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 30.17 1mlq h HIS 93 CO 0.06 0.98 -1.22 0.00 0.86 0.00 0.00 177.93 178.62 1mlq h ALA 94 N 0.97 0.12 0.00 2.45 0.00 -0.94 0.74 119.26 122.59 1mlq h ALA 94 Ca -0.04 -0.88 -0.31 0.00 0.00 0.00 0.00 54.91 53.68 1mlq h ALA 94 Cb 1.54 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 1mlq h ALA 94 CO 0.14 0.98 -2.16 2.41 0.00 0.00 0.00 179.25 180.62 1mlq n THR 95 N -3.53 1.17 -0.08 0.00 -1.04 -0.21 -3.76 114.28 106.83 1mlq n THR 95 Ca -0.08 -0.48 -0.11 0.00 -2.04 0.00 0.00 64.05 61.34 1mlq n THR 95 Cb 1.01 -1.14 -0.06 0.00 -1.82 0.00 0.00 70.33 68.33 1mlq n THR 95 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1mlq h LYS 96 N 0.00 0.00 0.16 -2.82 3.64 -1.20 -3.42 116.57 112.93 1mlq h LYS 96 Ca -0.46 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.62 1mlq h LYS 96 Cb 1.75 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.58 1mlq h LYS 96 CO -0.06 0.42 -1.42 0.45 -2.27 0.00 0.00 179.45 176.57 1mlq h HIS 97 N -1.00 0.62 -4.20 1.91 -0.00 -1.13 -3.49 115.15 107.87 1mlq h HIS 97 Ca -0.12 -0.45 0.00 0.00 -0.00 0.00 0.00 60.37 59.80 1mlq h HIS 97 Cb 0.75 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 1mlq h HIS 97 CO -0.04 1.41 -0.02 1.63 -0.00 0.00 0.00 177.93 180.91 1mlq n LYS 98 N -3.56 -0.70 -3.81 2.45 4.01 -0.12 -5.00 118.16 111.43 1mlq n LYS 98 Ca -0.14 1.03 -0.37 0.00 -0.51 0.00 0.00 58.31 58.32 1mlq n LYS 98 Cb 1.05 -3.66 -0.13 0.00 -0.51 0.00 0.00 35.03 31.79 1mlq n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1mlq s ILE 99 N -2.92 3.59 0.59 -0.18 -1.09 0.06 -5.02 121.20 116.24 1mlq s ILE 99 Ca 0.01 -1.02 -0.20 0.00 -2.23 0.00 0.00 60.65 57.21 1mlq s ILE 99 Cb -0.00 -2.96 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 1mlq s ILE 99 CO 0.38 -0.04 1.27 -2.16 -1.23 0.00 0.00 174.94 173.16 1mlq s PRO 100 N 1.40 2.94 0.28 2.79 0.04 -1.26 -4.79 135.00 136.39 1mlq s PRO 100 Ca -0.01 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1mlq s PRO 100 Cb -0.18 -2.02 0.60 0.00 0.04 0.00 0.00 34.50 32.93 1mlq s PRO 100 CO 0.01 -1.28 1.77 0.82 0.04 0.00 0.00 177.00 178.37 1mlq h ILE 101 N 0.99 0.74 -1.00 0.56 1.08 -1.90 0.70 117.51 118.68 1mlq h ILE 101 Ca -0.51 -0.24 0.23 0.00 -0.39 0.00 0.00 64.86 63.95 1mlq h ILE 101 Cb 1.31 -0.02 -0.10 0.00 -3.07 0.00 0.00 36.82 34.94 1mlq h ILE 101 CO 0.55 0.13 0.63 0.50 -0.69 0.00 0.00 178.15 179.27 1mlq h LYS 102 N 0.70 0.52 -0.28 2.37 1.63 -1.91 -1.84 116.57 117.76 1mlq h LYS 102 Ca 0.50 -0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 60.14 1mlq h LYS 102 Cb 0.71 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1mlq h LYS 102 CO -0.36 0.35 -0.35 1.88 -3.45 0.00 0.00 179.45 177.51 1mlq h TYR 103 N 0.54 0.73 0.00 1.91 -1.99 -1.21 -1.36 116.97 115.60 1mlq h TYR 103 Ca 0.57 -0.20 -0.04 0.00 2.00 0.00 0.00 58.73 61.06 1mlq h TYR 103 Cb 1.21 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.77 1mlq h TYR 103 CO -0.00 0.89 -0.17 -0.07 -0.00 0.00 0.00 178.16 178.80 1mlq h LEU 104 N 0.52 0.00 -0.19 3.88 3.38 -1.34 -1.59 115.31 119.97 1mlq h LEU 104 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1mlq h LEU 104 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1mlq h LEU 104 CO 0.07 0.17 -0.28 -0.33 0.09 0.00 0.00 178.44 178.17 1mlq h GLU 105 N 0.00 0.53 -0.66 1.13 5.08 -0.48 -2.09 114.58 118.08 1mlq h GLU 105 Ca -0.00 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1mlq h GLU 105 Cb 0.38 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1mlq h GLU 105 CO 0.02 0.91 0.38 0.74 -1.00 0.00 0.00 179.01 180.06 1mlq h PHE 106 N 0.19 0.70 0.00 4.33 0.04 -1.01 -1.75 116.94 119.44 1mlq h PHE 106 Ca 0.02 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 1mlq h PHE 106 Cb 0.85 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 1mlq h PHE 106 CO 0.09 0.35 -0.03 0.97 -0.60 0.00 0.00 178.31 179.09 1mlq h ILE 107 N 0.71 0.06 -0.34 -0.55 2.10 -1.28 -2.18 117.51 116.03 1mlq h ILE 107 Ca 0.29 -0.79 -0.17 0.00 1.08 0.00 0.00 64.86 65.27 1mlq h ILE 107 Cb 0.14 1.75 -0.00 0.00 -1.09 0.00 0.00 36.82 37.61 1mlq h ILE 107 CO -0.16 0.03 -0.44 0.28 -1.08 0.00 0.00 178.15 176.78 1mlq h SER 108 N 0.00 0.98 -0.46 2.19 0.02 -0.65 0.22 113.55 115.85 1mlq h SER 108 Ca -0.00 -0.49 -0.08 0.00 -0.84 0.00 0.00 61.79 60.38 1mlq h SER 108 Cb 0.74 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1mlq h SER 108 CO 0.00 1.28 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.89 1mlq h GLU 109 N 0.71 0.88 -0.51 3.45 4.81 -1.11 -2.14 114.58 120.66 1mlq h GLU 109 Ca 0.04 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 58.91 1mlq h GLU 109 Cb 1.04 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1mlq h GLU 109 CO 0.10 0.88 -0.11 0.00 -0.73 0.00 0.00 179.01 179.15 1mlq h ALA 110 N 1.18 0.84 -0.26 2.92 0.00 -0.73 -0.97 119.26 122.24 1mlq h ALA 110 Ca 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1mlq h ALA 110 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1mlq h ALA 110 CO 0.02 0.65 0.10 0.82 0.00 0.00 0.00 179.25 180.84 1mlq h ILE 111 N 0.85 1.18 -0.29 0.00 2.04 -0.73 -1.30 117.51 119.25 1mlq h ILE 111 Ca 0.13 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 1mlq h ILE 111 Cb 0.65 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1mlq h ILE 111 CO 0.05 0.19 -0.08 0.40 0.00 0.00 0.00 178.15 178.70 1mlq h ILE 112 N 0.26 1.21 0.21 -0.67 2.04 -1.25 -1.24 117.51 118.07 1mlq h ILE 112 Ca 0.09 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1mlq h ILE 112 Cb 0.20 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1mlq h ILE 112 CO -0.01 0.30 -0.10 -0.74 0.00 0.00 0.00 178.15 177.60 1mlq h HIS 113 N 0.45 -0.26 -0.61 1.37 2.76 -0.90 -1.64 115.15 116.32 1mlq h HIS 113 Ca 0.09 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1mlq h HIS 113 Cb 0.42 0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 1mlq h HIS 113 CO 0.01 -0.03 0.40 0.28 -1.30 0.00 0.00 177.93 177.30 1mlq h VAL 114 N -0.46 1.16 -0.63 5.26 2.07 -1.02 -0.70 116.25 121.94 1mlq h VAL 114 Ca -0.03 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1mlq h VAL 114 Cb 0.35 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1mlq h VAL 114 CO 0.05 0.16 0.21 -0.07 0.02 0.00 0.00 177.57 177.93 1mlq h LEU 115 N 0.83 0.91 -0.34 2.57 3.38 -1.16 -1.54 115.31 119.95 1mlq h LEU 115 Ca 0.22 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1mlq h LEU 115 Cb -0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1mlq h LEU 115 CO -0.05 0.87 0.16 -0.74 0.09 0.00 0.00 178.44 178.77 1mlq h HIS 116 N 0.90 0.30 -0.60 1.13 2.76 -1.14 -1.29 115.15 117.21 1mlq h HIS 116 Ca 0.20 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.33 1mlq h HIS 116 Cb 0.28 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 1mlq h HIS 116 CO 0.02 0.16 0.14 0.77 -1.30 0.00 0.00 177.93 177.72 1mlq h SER 117 N 0.34 0.91 0.21 3.26 0.02 -0.61 -3.31 113.55 114.38 1mlq h SER 117 Ca 0.14 -0.24 -0.32 0.00 -0.84 0.00 0.00 61.79 60.53 1mlq h SER 117 Cb 0.06 -0.24 0.02 0.00 0.14 0.00 0.00 62.40 62.39 1mlq h SER 117 CO -0.11 0.91 -1.50 0.03 -1.14 0.00 0.00 176.83 175.02 1mlq h ARG 118 N 0.88 0.45 -2.29 3.45 3.08 -1.32 -3.41 114.38 115.22 1mlq h ARG 118 Ca 0.19 -0.77 -0.63 0.00 0.07 0.00 0.00 59.98 58.84 1mlq h ARG 118 Cb 0.36 0.29 -0.39 0.00 0.08 0.00 0.00 29.97 30.30 1mlq h ARG 118 CO 0.00 1.37 -0.34 0.72 -1.07 0.00 0.00 179.97 180.65 1mlq n HIS 119 N -3.74 3.73 0.23 3.04 8.25 -0.49 -4.94 115.22 121.30 1mlq n HIS 119 Ca -0.20 -3.78 0.09 0.00 -0.26 0.00 0.00 57.72 53.58 1mlq n HIS 119 Cb 1.05 -0.63 0.51 0.00 1.12 0.00 0.00 29.99 32.04 1mlq n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mlq h PRO 120 N 3.50 0.00 0.00 -0.41 0.13 -1.73 -0.36 132.00 133.13 1mlq h PRO 120 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1mlq h PRO 120 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1mlq h PRO 120 CO 0.90 0.24 -0.22 0.41 -0.23 0.00 0.00 178.00 179.09 1mlq n GLY 121 N -0.16 -1.49 0.01 1.56 0.00 -1.26 -2.54 105.19 101.31 1mlq n GLY 121 Ca -0.01 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.87 1mlq n GLY 121 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mlq n ASN 122 N -1.83 2.06 -2.60 1.61 3.02 -0.29 -4.61 115.26 112.62 1mlq n ASN 122 Ca 0.06 -2.20 -0.14 0.00 -0.03 0.00 0.00 54.58 52.27 1mlq n ASN 122 Cb 0.38 -0.08 0.02 0.00 -0.61 0.00 0.00 39.78 39.50 1mlq n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1mlq n PHE 123 N -0.67 1.82 -1.19 3.10 7.35 -0.36 -4.66 117.46 122.85 1mlq n PHE 123 Ca 0.03 -2.81 -0.28 0.00 -0.76 0.00 0.00 57.45 53.63 1mlq n PHE 123 Cb 0.32 -0.29 0.23 0.00 0.35 0.00 0.00 39.48 40.09 1mlq n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mlq n GLY 124 N -0.23 -2.49 0.34 7.13 0.00 -1.25 -4.63 105.19 104.06 1mlq n GLY 124 Ca 0.18 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.78 1mlq n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mlq h ALA 125 N -2.51 1.58 -0.16 4.61 0.00 -1.98 0.85 119.26 121.64 1mlq h ALA 125 Ca -0.39 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1mlq h ALA 125 Cb 1.16 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1mlq h ALA 125 CO 0.26 -0.08 -0.60 -0.44 0.00 0.00 0.00 179.25 178.38 1mlq h ASP 126 N 0.71 0.81 0.25 0.00 3.32 -1.99 -0.18 116.42 119.33 1mlq h ASP 126 Ca 0.56 -0.61 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1mlq h ASP 126 Cb 0.87 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1mlq h ASP 126 CO -0.39 1.28 -0.33 0.00 -1.72 0.00 0.00 179.24 178.08 1mlq h ALA 127 N 0.55 1.32 -0.15 3.45 0.00 -1.80 -1.62 119.26 121.00 1mlq h ALA 127 Ca -0.03 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 1mlq h ALA 127 Cb 1.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1mlq h ALA 127 CO 0.13 0.48 -0.69 0.37 0.00 0.00 0.00 179.25 179.53 1mlq h GLN 128 N 0.11 0.63 -0.32 0.00 4.15 -0.46 -0.89 115.11 118.34 1mlq h GLN 128 Ca 0.01 -0.48 -0.06 0.00 0.77 0.00 0.00 58.65 58.89 1mlq h GLN 128 Cb 0.65 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 1mlq h GLN 128 CO 0.05 1.10 -0.06 0.78 -1.93 0.00 0.00 178.83 178.77 1mlq h GLY 129 N 0.91 0.55 0.97 2.39 0.00 -0.79 -0.18 103.07 106.91 1mlq h GLY 129 Ca -0.03 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 1mlq h GLY 129 CO 0.13 0.32 -0.37 0.00 0.00 0.00 0.00 176.54 176.63 1mlq h ALA 130 N 1.46 0.37 -0.54 3.60 0.00 -0.91 0.50 119.26 123.73 1mlq h ALA 130 Ca 0.10 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1mlq h ALA 130 Cb 0.41 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1mlq h ALA 130 CO 0.02 0.45 0.34 1.98 0.00 0.00 0.00 179.25 182.03 1mlq h MET 131 N 0.38 0.73 -0.66 0.00 -1.53 -0.98 0.58 114.93 113.46 1mlq h MET 131 Ca 0.02 -0.06 0.01 0.00 -3.44 0.00 0.00 59.70 56.23 1mlq h MET 131 Cb 0.97 -0.16 -0.04 0.00 -0.55 0.00 0.00 31.60 31.82 1mlq h MET 131 CO 0.09 0.52 0.43 -0.97 0.14 0.00 0.00 176.91 177.11 1mlq h ASN 132 N 0.73 0.74 -0.79 1.39 -1.24 -0.95 -0.29 115.58 115.17 1mlq h ASN 132 Ca 0.20 -0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.22 1mlq h ASN 132 Cb -0.04 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.79 1mlq h ASN 132 CO -0.04 0.53 0.51 0.50 -1.29 0.00 0.00 177.43 177.64 1mlq h LYS 133 N 0.87 0.99 -0.43 6.67 3.64 -0.40 0.34 116.57 128.24 1mlq h LYS 133 Ca 0.25 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 1mlq h LYS 133 Cb -0.06 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 1mlq h LYS 133 CO -0.07 0.65 -0.16 0.00 -2.27 0.00 0.00 179.45 177.60 1mlq h ALA 134 N 1.32 0.90 -0.00 5.00 0.00 -0.53 -1.18 119.26 124.77 1mlq h ALA 134 Ca 0.31 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1mlq h ALA 134 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1mlq h ALA 134 CO -0.09 0.63 -0.85 -0.07 0.00 0.00 0.00 179.25 178.86 1mlq h LEU 135 N 0.72 0.21 -0.82 0.00 3.38 -0.83 -1.59 115.31 116.39 1mlq h LEU 135 Ca 0.11 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1mlq h LEU 135 Cb 0.67 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1mlq h LEU 135 CO 0.05 0.96 0.24 -0.33 0.09 0.00 0.00 178.44 179.45 1mlq h GLU 136 N 0.09 1.11 0.94 1.13 5.08 -0.77 -0.89 114.58 121.28 1mlq h GLU 136 Ca -0.04 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1mlq h GLU 136 Cb 1.47 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.56 1mlq h GLU 136 CO 0.13 0.94 -0.46 1.25 -1.00 0.00 0.00 179.01 179.87 1mlq h LEU 137 N 1.07 -1.10 -0.81 1.33 5.85 -1.00 0.06 115.31 120.71 1mlq h LEU 137 Ca 0.24 0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.15 1mlq h LEU 137 Cb 0.28 0.29 -0.15 0.00 0.37 0.00 0.00 40.66 41.45 1mlq h LEU 137 CO -0.01 -0.77 -0.27 0.15 -0.34 0.00 0.00 178.44 177.20 1mlq h PHE 138 N -1.27 -0.66 -0.87 1.25 3.57 -1.20 -1.34 116.94 116.42 1mlq h PHE 138 Ca -0.13 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1mlq h PHE 138 Cb 0.98 0.41 -0.04 0.00 2.79 0.00 0.00 35.95 40.09 1mlq h PHE 138 CO 0.00 -0.37 0.49 0.00 -2.23 0.00 0.00 178.31 176.21 1mlq h ARG 139 N -0.04 1.20 -0.27 1.11 3.08 -0.86 0.10 114.38 118.71 1mlq h ARG 139 Ca 0.36 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 1mlq h ARG 139 Cb 0.60 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1mlq h ARG 139 CO -0.85 0.86 0.04 -0.22 -1.07 0.00 0.00 179.97 178.73 1mlq h LYS 140 N 1.21 0.44 -0.42 0.04 3.64 -0.60 0.16 116.57 121.05 1mlq h LYS 140 Ca 0.31 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1mlq h LYS 140 Cb -0.01 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1mlq h LYS 140 CO -0.05 0.56 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.22 1mlq h ASP 141 N 0.26 0.75 -0.26 4.20 5.19 -1.07 -1.70 116.42 123.79 1mlq h ASP 141 Ca 0.08 -0.33 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1mlq h ASP 141 Cb 0.33 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1mlq h ASP 141 CO 0.01 0.90 0.17 0.40 -3.12 0.00 0.00 179.24 177.59 1mlq h ILE 142 N 0.59 1.08 -1.00 0.35 1.08 -0.77 -1.94 117.51 116.89 1mlq h ILE 142 Ca 0.11 -0.16 0.11 0.00 -0.39 0.00 0.00 64.86 64.53 1mlq h ILE 142 Cb 0.53 0.72 -0.08 0.00 -3.07 0.00 0.00 36.82 34.92 1mlq h ILE 142 CO 0.03 0.08 0.64 0.00 -0.69 0.00 0.00 178.15 178.20 1mlq h ALA 143 N 1.08 1.51 -0.21 1.87 0.00 -0.78 0.11 119.26 122.84 1mlq h ALA 143 Ca 0.09 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1mlq h ALA 143 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1mlq h ALA 143 CO -0.02 0.26 -0.23 0.00 0.00 0.00 0.00 179.25 179.26 1mlq h ALA 144 N 1.53 1.23 -0.11 0.00 0.00 -1.08 -2.08 119.26 118.75 1mlq h ALA 144 Ca 0.49 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.87 1mlq h ALA 144 Cb 0.44 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1mlq h ALA 144 CO -0.25 0.50 -0.81 0.87 0.00 0.00 0.00 179.25 179.57 1mlq h LYS 145 N 0.34 0.65 -0.42 0.00 6.56 -0.80 -2.44 116.57 120.47 1mlq h LYS 145 Ca 0.06 -0.56 0.08 0.00 -1.06 0.00 0.00 60.65 59.16 1mlq h LYS 145 Cb 0.59 0.13 -0.07 0.00 -0.57 0.00 0.00 32.23 32.30 1mlq h LYS 145 CO 0.04 1.18 -0.06 1.88 -2.06 0.00 0.00 179.45 180.43 1mlq h TYR 146 N 0.43 -0.13 -0.42 -1.35 -1.99 -0.60 -0.42 116.97 112.48 1mlq h TYR 146 Ca -0.06 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.77 1mlq h TYR 146 Cb 1.43 0.12 -0.05 0.00 2.00 0.00 0.00 36.73 40.23 1mlq h TYR 146 CO 0.08 -0.14 0.12 -0.22 -0.00 0.00 0.00 178.16 177.99 1mlq h LYS 147 N 0.05 0.25 0.00 4.88 3.64 -1.26 -0.24 116.57 123.89 1mlq h LYS 147 Ca 0.20 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1mlq h LYS 147 Cb 0.31 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1mlq h LYS 147 CO -0.39 0.17 -0.15 0.93 -2.27 0.00 0.00 179.45 177.74 1mlq h GLU 148 N 0.26 0.00 0.00 1.90 5.08 -0.88 -2.15 114.58 118.79 1mlq h GLU 148 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1mlq h GLU 148 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1mlq h GLU 148 CO -0.24 0.15 -0.40 1.28 -1.00 0.00 0.00 179.01 178.80 1mlq n LEU 149 N -3.62 0.58 0.00 1.33 4.77 -0.23 -4.93 117.00 114.90 1mlq n LEU 149 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1mlq n LEU 149 Cb 0.28 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1mlq n LEU 149 CO 0.31 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1mlq n GLY 150 N 1.39 1.07 0.44 -0.72 0.00 -0.48 -4.98 105.19 101.90 1mlq n GLY 150 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1mlq n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1mlq n TYR 151 N -1.84 0.00 -2.71 1.61 9.36 -0.22 -5.00 117.16 118.35 1mlq n TYR 151 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1mlq n TYR 151 Cb 0.00 -0.16 0.00 0.00 -0.63 0.00 0.00 39.34 38.55 1mlq n TYR 151 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1mlq n GLN 152 N -2.91 -0.31 0.00 2.98 1.13 -1.05 -4.87 117.38 112.35 1mlq n GLN 152 Ca -0.08 0.15 0.11 0.00 -1.94 0.00 0.00 57.00 55.23 1mlq n GLN 152 Cb 0.57 -0.43 0.09 0.00 0.11 0.00 0.00 30.24 30.58 1mlq n GLN 152 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03