#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myf s LEU 2 N 0.00 4.47 0.61 7.52 2.96 -1.26 -5.06 118.68 127.92 1myf s LEU 2 Ca 0.00 1.43 -0.15 0.00 -0.22 0.00 0.00 54.13 55.20 1myf s LEU 2 Cb 0.00 -3.30 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1myf s LEU 2 CO 0.00 0.15 1.05 -0.94 -1.32 0.00 0.00 176.35 175.30 1myf s SER 3 N -1.36 5.75 0.36 3.68 1.04 -1.26 -4.85 113.70 117.05 1myf s SER 3 Ca 0.37 1.75 0.08 0.00 0.48 0.00 0.00 55.95 58.62 1myf s SER 3 Cb -0.19 -2.52 0.78 0.00 0.10 0.00 0.00 66.02 64.19 1myf s SER 3 CO 0.22 -1.19 1.91 -0.33 0.98 0.00 0.00 173.24 174.84 1myf h GLU 4 N 0.19 0.70 0.26 4.02 3.07 -1.98 0.47 114.58 121.31 1myf h GLU 4 Ca -0.46 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.34 1myf h GLU 4 Cb 1.21 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1myf h GLU 4 CO 0.58 0.47 -0.12 0.78 -1.40 0.00 0.00 179.01 179.31 1myf h GLY 5 N 0.73 -0.36 1.00 -3.84 0.00 -1.99 0.85 103.07 99.46 1myf h GLY 5 Ca 0.38 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.83 1myf h GLY 5 CO -0.15 -0.13 0.35 0.83 0.00 0.00 0.00 176.54 177.44 1myf h GLU 6 N -0.46 0.95 -0.20 4.80 4.39 -1.79 -0.17 114.58 122.10 1myf h GLU 6 Ca -0.04 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.57 1myf h GLU 6 Cb 0.35 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1myf h GLU 6 CO 0.06 0.73 0.05 -1.49 -1.16 0.00 0.00 179.01 177.20 1myf h TRP 7 N 0.93 0.09 -0.68 4.33 -0.00 -0.81 -0.49 115.95 119.31 1myf h TRP 7 Ca 0.24 0.01 0.07 0.00 -0.00 0.00 0.00 58.89 59.20 1myf h TRP 7 Cb 0.07 -0.01 -0.06 0.00 -0.00 0.00 0.00 29.16 29.16 1myf h TRP 7 CO -0.00 0.04 0.37 1.96 -0.00 0.00 0.00 178.44 180.81 1myf h GLN 8 N 0.14 0.65 0.11 0.49 4.20 -0.21 0.13 115.11 120.62 1myf h GLN 8 Ca 0.09 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1myf h GLN 8 Cb 0.07 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1myf h GLN 8 CO -0.11 0.43 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.24 1myf h LEU 9 N 0.67 -0.47 0.22 1.46 3.38 -0.62 0.17 115.31 120.13 1myf h LEU 9 Ca 0.31 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1myf h LEU 9 Cb 0.24 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1myf h LEU 9 CO -0.21 -0.25 -0.42 0.58 0.09 0.00 0.00 178.44 178.24 1myf h VAL 10 N -0.34 0.16 -0.72 1.22 2.07 -0.29 -0.00 116.25 118.35 1myf h VAL 10 Ca 0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.60 1myf h VAL 10 Cb 0.35 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1myf h VAL 10 CO -0.08 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 177.91 1myf h LEU 11 N -0.72 0.68 0.34 2.57 3.38 -0.68 0.17 115.31 121.05 1myf h LEU 11 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1myf h LEU 11 Cb 0.70 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1myf h LEU 11 CO -0.18 0.45 -0.16 -0.74 0.09 0.00 0.00 178.44 177.90 1myf h HIS 12 N 0.78 -0.42 -0.82 1.13 2.76 0.46 0.17 115.15 119.21 1myf h HIS 12 Ca 0.30 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.54 1myf h HIS 12 Cb 0.20 0.14 -0.07 0.00 1.55 0.00 0.00 27.41 29.24 1myf h HIS 12 CO -0.00 -0.22 0.48 0.28 -1.30 0.00 0.00 177.93 177.17 1myf h VAL 13 N -0.53 0.95 -0.26 5.26 2.07 -0.44 -1.69 116.25 121.62 1myf h VAL 13 Ca -0.05 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1myf h VAL 13 Cb 0.40 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1myf h VAL 13 CO 0.08 0.15 -0.07 -0.25 0.02 0.00 0.00 177.57 177.49 1myf h TRP 14 N 0.83 0.43 -0.58 1.57 2.91 -0.23 0.16 115.95 121.03 1myf h TRP 14 Ca 0.38 -0.05 0.07 0.00 1.13 0.00 0.00 58.89 60.42 1myf h TRP 14 Cb 0.29 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.78 1myf h TRP 14 CO -0.05 0.49 0.39 0.00 -1.03 0.00 0.00 178.44 178.23 1myf h ALA 15 N 1.54 1.86 -0.21 2.65 0.00 0.30 0.15 119.26 125.54 1myf h ALA 15 Ca 0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1myf h ALA 15 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1myf h ALA 15 CO 0.02 0.03 -0.37 0.87 0.00 0.00 0.00 179.25 179.80 1myf h LYS 16 N 0.53 0.46 0.68 0.00 1.57 -0.60 0.09 116.57 119.31 1myf h LYS 16 Ca 0.26 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1myf h LYS 16 Cb 0.33 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.64 1myf h LYS 16 CO -0.07 0.77 -0.33 0.28 -0.57 0.00 0.00 179.45 179.53 1myf h VAL 17 N 0.39 0.21 -0.74 0.50 2.07 -0.92 -3.16 116.25 114.60 1myf h VAL 17 Ca 0.04 -0.23 0.17 0.00 0.82 0.00 0.00 66.70 67.50 1myf h VAL 17 Cb 0.83 0.26 -0.12 0.00 -1.52 0.00 0.00 31.29 30.74 1myf h VAL 17 CO 0.07 0.02 0.08 -0.33 0.02 0.00 0.00 177.57 177.43 1myf h GLU 18 N -1.10 0.16 -1.27 1.57 5.08 -0.62 0.51 114.58 118.91 1myf h GLU 18 Ca -0.09 -0.01 0.39 0.00 -1.00 0.00 0.00 59.36 58.65 1myf h GLU 18 Cb 0.74 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.84 1myf h GLU 18 CO 0.15 0.11 0.84 0.00 -1.00 0.00 0.00 179.01 179.11 1myf h ALA 19 N 1.66 2.71 -1.86 3.43 0.00 -0.94 -1.31 119.26 122.95 1myf h ALA 19 Ca 0.41 0.07 -0.48 0.00 0.00 0.00 0.00 54.91 54.92 1myf h ALA 19 Cb 0.73 0.14 -0.40 0.00 0.00 0.00 0.00 17.79 18.26 1myf h ALA 19 CO -0.59 -1.25 -1.12 -3.47 0.00 0.00 0.00 179.25 172.83 1myf n ASP 20 N -4.58 1.49 -0.07 0.00 2.03 0.01 -4.97 116.55 110.45 1myf n ASP 20 Ca 0.33 -3.07 -0.08 0.00 0.52 0.00 0.00 54.79 52.50 1myf n ASP 20 Cb 1.30 -0.59 -0.01 0.00 -0.72 0.00 0.00 41.12 41.09 1myf n ASP 20 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1myf h VAL 21 N 1.61 0.34 -0.67 5.18 3.04 0.11 0.42 116.25 126.28 1myf h VAL 21 Ca 0.08 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.82 1myf h VAL 21 Cb 0.94 0.34 -0.05 0.00 -2.01 0.00 0.00 31.29 30.51 1myf h VAL 21 CO 0.55 0.00 0.38 0.00 -1.01 0.00 0.00 177.57 177.49 1myf h ALA 22 N 0.81 0.89 0.46 3.17 0.00 -1.87 0.27 119.26 123.00 1myf h ALA 22 Ca 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1myf h ALA 22 Cb 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1myf h ALA 22 CO -0.44 0.07 -0.22 0.78 0.00 0.00 0.00 179.25 179.44 1myf h GLY 23 N 0.70 -0.65 0.34 0.00 0.00 -1.65 0.52 103.07 102.34 1myf h GLY 23 Ca 0.29 0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.91 1myf h GLY 23 CO -0.17 -0.24 -0.21 0.45 0.00 0.00 0.00 176.54 176.37 1myf h HIS 24 N -0.69 -0.57 -0.35 5.60 3.86 -0.73 0.77 115.15 123.04 1myf h HIS 24 Ca -0.06 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.25 1myf h HIS 24 Cb 0.51 0.27 -0.08 0.00 1.06 0.00 0.00 27.41 29.17 1myf h HIS 24 CO -0.03 -0.29 -0.28 0.78 0.86 0.00 0.00 177.93 178.97 1myf h GLY 25 N -0.27 -0.16 0.70 2.45 0.00 -0.28 0.28 103.07 105.80 1myf h GLY 25 Ca 0.10 0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 1myf h GLY 25 CO -0.29 -0.21 -0.34 -1.61 0.00 0.00 0.00 176.54 174.10 1myf h GLN 26 N -0.23 -0.91 -0.92 4.80 4.15 -0.30 -2.49 115.11 119.21 1myf h GLN 26 Ca 0.17 0.06 0.23 0.00 0.77 0.00 0.00 58.65 59.88 1myf h GLN 26 Cb 0.50 0.21 -0.17 0.00 0.21 0.00 0.00 27.48 28.23 1myf h GLN 26 CO -0.48 -0.61 0.01 0.22 -1.93 0.00 0.00 178.83 176.04 1myf h ASP 27 N -1.11 -0.45 -0.27 -0.69 3.58 -0.59 0.24 116.42 117.12 1myf h ASP 27 Ca -0.10 0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 1myf h ASP 27 Cb 0.72 0.45 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 1myf h ASP 27 CO 0.16 -0.29 0.10 0.40 -2.88 0.00 0.00 179.24 176.73 1myf h ILE 28 N 0.05 1.18 -0.33 2.25 2.04 -0.39 0.22 117.51 122.54 1myf h ILE 28 Ca 0.53 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1myf h ILE 28 Cb 1.04 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1myf h ILE 28 CO -0.84 0.19 0.01 -0.07 0.00 0.00 0.00 178.15 177.44 1myf h LEU 29 N 0.28 0.55 -0.46 1.44 3.38 -0.43 0.82 115.31 120.90 1myf h LEU 29 Ca 0.09 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.81 1myf h LEU 29 Cb 0.20 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1myf h LEU 29 CO -0.01 0.72 0.19 0.40 0.09 0.00 0.00 178.44 179.83 1myf h ILE 30 N 0.37 0.89 0.12 1.22 2.04 -0.33 0.12 117.51 121.94 1myf h ILE 30 Ca 0.09 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1myf h ILE 30 Cb 0.43 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1myf h ILE 30 CO 0.01 0.07 -0.06 0.03 0.00 0.00 0.00 178.15 178.21 1myf h ARG 31 N 0.38 -0.15 -0.05 2.37 2.47 -0.31 0.11 114.38 119.19 1myf h ARG 31 Ca 0.21 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.98 1myf h ARG 31 Cb 0.18 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.49 1myf h ARG 31 CO -0.19 -0.04 -0.23 1.25 0.56 0.00 0.00 179.97 181.32 1myf h LEU 32 N -0.23 -0.69 0.54 3.04 5.85 -0.34 0.11 115.31 123.58 1myf h LEU 32 Ca -0.02 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1myf h LEU 32 Cb 0.19 0.30 0.01 0.00 0.37 0.00 0.00 40.66 41.52 1myf h LEU 32 CO 0.03 -0.29 -0.26 -0.26 -0.34 0.00 0.00 178.44 177.31 1myf h PHE 33 N -0.34 -0.68 -0.58 1.25 0.04 -0.67 0.53 116.94 116.49 1myf h PHE 33 Ca 0.08 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 1myf h PHE 33 Cb 0.44 0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.79 1myf h PHE 33 CO -0.29 -0.40 0.35 0.87 -0.60 0.00 0.00 178.31 178.23 1myf h LYS 34 N -0.79 0.79 -0.30 1.51 1.79 -0.67 -2.03 116.57 116.89 1myf h LYS 34 Ca -0.07 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.21 1myf h LYS 34 Cb 0.58 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1myf h LYS 34 CO 0.12 0.58 -0.26 0.77 -1.08 0.00 0.00 179.45 179.58 1myf h SER 35 N 0.79 0.74 -3.03 0.86 0.02 -0.80 -3.39 113.55 108.74 1myf h SER 35 Ca 0.21 -0.46 -0.61 0.00 -0.84 0.00 0.00 61.79 60.09 1myf h SER 35 Cb -0.01 -0.21 -0.41 0.00 0.14 0.00 0.00 62.40 61.92 1myf h SER 35 CO -0.04 1.05 -0.71 -1.00 -1.14 0.00 0.00 176.83 174.98 1myf s HIS 36 N -4.41 2.60 0.36 3.45 3.76 0.18 -4.99 115.29 116.23 1myf s HIS 36 Ca -0.12 -2.90 0.16 0.00 -0.15 0.00 0.00 55.06 52.05 1myf s HIS 36 Cb 0.09 -2.08 1.11 0.00 1.11 0.00 0.00 32.58 32.80 1myf s HIS 36 CO 0.83 -0.67 1.68 -1.35 -0.85 0.00 0.00 174.74 174.37 1myf h PRO 37 N 5.74 0.33 -0.12 8.40 0.11 -1.58 0.78 132.00 145.66 1myf h PRO 37 Ca 0.14 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.27 1myf h PRO 37 Cb 0.83 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1myf h PRO 37 CO 0.58 0.22 0.34 1.05 -0.21 0.00 0.00 178.00 179.98 1myf h GLU 38 N 0.34 0.00 -0.12 1.05 9.09 -1.92 -0.19 114.58 122.82 1myf h GLU 38 Ca 0.72 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.91 1myf h GLU 38 Cb 1.70 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.81 1myf h GLU 38 CO -0.53 0.00 -0.80 1.79 0.05 0.00 0.00 179.01 179.52 1myf h THR 39 N 0.00 1.30 -0.30 -1.06 1.35 -1.14 -3.28 112.91 109.78 1myf h THR 39 Ca 0.06 -2.04 -0.17 0.00 -0.55 0.00 0.00 66.41 63.70 1myf h THR 39 Cb 0.74 2.05 -0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1myf h THR 39 CO -0.00 0.64 -0.51 0.25 -0.25 0.00 0.00 175.52 175.65 1myf h LEU 40 N 0.47 0.92 -1.27 3.87 7.12 -1.18 -2.89 115.31 122.35 1myf h LEU 40 Ca -0.06 -0.47 0.27 0.00 0.13 0.00 0.00 57.88 57.75 1myf h LEU 40 Cb 1.42 -0.26 -0.11 0.00 -0.53 0.00 0.00 40.66 41.18 1myf h LEU 40 CO 0.16 1.26 0.66 -0.33 -0.13 0.00 0.00 178.44 180.05 1myf h GLU 41 N 0.65 0.41 0.00 1.25 5.08 -1.47 0.14 114.58 120.64 1myf h GLU 41 Ca 0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1myf h GLU 41 Cb 1.10 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1myf h GLU 41 CO 0.11 0.27 -0.07 0.87 -1.00 0.00 0.00 179.01 179.19 1myf h LYS 42 N 0.42 0.00 -0.83 2.33 1.57 -1.59 0.18 116.57 118.66 1myf h LYS 42 Ca 0.63 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.33 1myf h LYS 42 Cb 1.51 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.77 1myf h LYS 42 CO -0.36 0.07 0.10 1.19 -0.57 0.00 0.00 179.45 179.88 1myf n PHE 43 N -3.25 1.33 0.00 -1.35 3.01 0.47 -4.92 117.46 112.75 1myf n PHE 43 Ca -0.00 -0.63 0.00 0.00 1.01 0.00 0.00 57.45 57.82 1myf n PHE 43 Cb 0.28 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 1myf n PHE 43 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1myf n ASP 44 N 0.15 0.00 -1.46 4.37 2.03 0.64 0.39 116.55 122.67 1myf n ASP 44 Ca 0.21 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.47 1myf n ASP 44 Cb 0.89 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.29 1myf n ASP 44 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1myf n ARG 45 N 0.00 0.40 -4.18 -0.67 0.63 -1.26 -4.39 116.66 107.20 1myf n ARG 45 Ca 0.00 -0.91 -0.31 0.00 -0.92 0.00 0.00 57.85 55.72 1myf n ARG 45 Cb 0.00 0.45 -0.06 0.00 0.45 0.00 0.00 32.46 33.30 1myf n ARG 45 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1myf n PHE 46 N -0.46 -1.40 0.00 -0.14 -0.00 0.16 -0.63 117.46 114.99 1myf n PHE 46 Ca -0.21 0.61 0.00 0.00 -0.00 0.00 0.00 57.45 57.85 1myf n PHE 46 Cb 0.70 -3.10 0.00 0.00 -0.00 0.00 0.00 39.48 37.08 1myf n PHE 46 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1myf n LYS 47 N -4.56 0.00 0.00 -4.13 5.02 -1.18 -3.35 118.16 109.96 1myf n LYS 47 Ca -0.30 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 1myf n LYS 47 Cb 0.68 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 1myf n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1myf n HIS 48 N 0.00 0.00 -2.38 2.13 1.44 -1.07 -5.02 115.22 110.31 1myf n HIS 48 Ca 0.00 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.31 1myf n HIS 48 Cb 0.00 0.05 -0.02 0.00 0.12 0.00 0.00 29.99 30.15 1myf n HIS 48 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1myf n LEU 49 N 0.00 4.62 0.14 2.39 4.77 0.19 -4.73 117.00 124.38 1myf n LEU 49 Ca 0.00 -3.74 -0.12 0.00 -0.03 0.00 0.00 56.01 52.11 1myf n LEU 49 Cb 0.45 -1.73 -0.08 0.00 -2.33 0.00 0.00 43.42 39.73 1myf n LEU 49 CO 0.00 -0.25 0.49 0.11 -1.33 0.00 0.00 177.39 176.41 1myf h LYS 50 N 7.96 -0.37 0.00 3.23 1.79 -1.95 -3.47 116.57 123.76 1myf h LYS 50 Ca 0.40 0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.75 1myf h LYS 50 Cb 0.87 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.57 1myf h LYS 50 CO 1.44 -0.03 -0.07 -2.37 -1.08 0.00 0.00 179.45 177.34 1myf n THR 51 N -5.08 0.00 -0.32 -0.16 5.66 -1.26 -5.04 114.28 108.07 1myf n THR 51 Ca -0.09 -0.95 0.09 0.00 -3.05 0.00 0.00 64.05 60.05 1myf n THR 51 Cb 0.27 0.59 0.21 0.00 -1.55 0.00 0.00 70.33 69.84 1myf n THR 51 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1myf h GLU 52 N 0.00 0.02 -0.43 1.09 4.39 -1.98 -0.00 114.58 117.67 1myf h GLU 52 Ca -0.15 -0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.64 1myf h GLU 52 Cb 0.64 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.20 1myf h GLU 52 CO 0.20 0.02 -0.11 0.00 -1.16 0.00 0.00 179.01 177.95 1myf h ALA 53 N 1.92 0.27 -0.23 3.43 0.00 -1.99 0.12 119.26 122.78 1myf h ALA 53 Ca 0.51 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.52 1myf h ALA 53 Cb 0.95 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1myf h ALA 53 CO -0.89 -0.45 -0.13 0.93 0.00 0.00 0.00 179.25 178.71 1myf h GLU 54 N -0.01 0.49 -0.67 0.00 3.07 -1.40 -0.25 114.58 115.82 1myf h GLU 54 Ca 0.21 -0.22 0.11 0.00 -0.50 0.00 0.00 59.36 58.95 1myf h GLU 54 Cb 0.32 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.14 1myf h GLU 54 CO -0.44 0.78 0.25 0.52 -1.40 0.00 0.00 179.01 178.72 1myf h MET 55 N 0.20 0.41 -0.12 2.33 2.86 -0.25 0.40 114.93 120.77 1myf h MET 55 Ca 0.05 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.53 1myf h MET 55 Cb 0.64 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1myf h MET 55 CO 0.04 0.27 -0.44 0.87 1.06 0.00 0.00 176.91 178.71 1myf h LYS 56 N 0.42 0.50 -0.00 1.72 1.57 -0.71 -3.29 116.57 116.78 1myf h LYS 56 Ca 0.35 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1myf h LYS 56 Cb 0.47 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1myf h LYS 56 CO -0.35 1.01 -0.21 0.00 -0.57 0.00 0.00 179.45 179.34 1myf n ALA 57 N -2.53 2.89 -2.01 3.86 0.00 -0.11 -4.83 120.51 117.77 1myf n ALA 57 Ca -0.08 -0.24 -0.33 0.00 0.00 0.00 0.00 53.44 52.79 1myf n ALA 57 Cb 0.56 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1myf n ALA 57 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1myf s SER 58 N -2.81 5.14 0.38 0.00 0.01 0.13 -4.81 113.70 111.74 1myf s SER 58 Ca 0.18 -0.07 0.07 0.00 1.31 0.00 0.00 55.95 57.45 1myf s SER 58 Cb 0.19 -2.54 0.80 0.00 0.21 0.00 0.00 66.02 64.68 1myf s SER 58 CO 0.57 -2.60 1.98 -0.33 0.41 0.00 0.00 173.24 173.26 1myf h GLU 59 N 13.55 0.66 -0.54 12.44 3.07 -1.89 0.14 114.58 142.01 1myf h GLU 59 Ca -0.10 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.67 1myf h GLU 59 Cb 1.10 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 1myf h GLU 59 CO 1.21 0.43 0.12 0.22 -1.40 0.00 0.00 179.01 179.59 1myf h ASP 60 N 0.68 0.77 -0.48 1.42 3.58 -1.98 0.15 116.42 120.56 1myf h ASP 60 Ca 0.28 -0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 1myf h ASP 60 Cb 0.26 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1myf h ASP 60 CO -0.09 0.77 0.11 0.25 -2.88 0.00 0.00 179.24 177.40 1myf h LEU 61 N 0.79 0.73 -0.00 2.28 5.85 -1.40 0.12 115.31 123.69 1myf h LEU 61 Ca 0.17 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1myf h LEU 61 Cb 0.31 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1myf h LEU 61 CO 0.00 0.78 -0.03 0.11 -0.34 0.00 0.00 178.44 178.97 1myf h LYS 62 N 0.65 -0.05 -0.83 1.25 1.57 -0.44 0.11 116.57 118.82 1myf h LYS 62 Ca 0.15 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.05 1myf h LYS 62 Cb 0.34 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.58 1myf h LYS 62 CO 0.00 -0.03 0.45 -0.22 -0.57 0.00 0.00 179.45 179.08 1myf h LYS 63 N -0.05 0.68 0.08 3.15 3.11 -0.50 0.14 116.57 123.18 1myf h LYS 63 Ca 0.01 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1myf h LYS 63 Cb 0.06 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.14 1myf h LYS 63 CO -0.03 0.45 -0.04 1.25 -2.81 0.00 0.00 179.45 178.27 1myf h HIS 64 N 0.70 -0.11 -0.93 1.91 2.76 0.34 -0.26 115.15 119.57 1myf h HIS 64 Ca 0.43 -0.00 0.22 0.00 -2.20 0.00 0.00 60.37 58.82 1myf h HIS 64 Cb 0.52 0.03 -0.12 0.00 1.55 0.00 0.00 27.41 29.39 1myf h HIS 64 CO -0.08 0.08 0.47 0.78 -1.30 0.00 0.00 177.93 177.88 1myf h GLY 65 N -0.28 1.66 0.78 5.26 0.00 0.52 0.26 103.07 111.28 1myf h GLY 65 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1myf h GLY 65 CO 0.02 -0.24 -0.17 -2.08 0.00 0.00 0.00 176.54 174.07 1myf h VAL 66 N 0.48 0.65 -0.64 4.60 2.07 -0.55 0.61 116.25 123.47 1myf h VAL 66 Ca 0.58 -0.40 0.13 0.00 0.82 0.00 0.00 66.70 67.83 1myf h VAL 66 Cb 1.09 0.85 -0.12 0.00 -1.52 0.00 0.00 31.29 31.58 1myf h VAL 66 CO -0.50 0.08 -0.16 0.74 0.02 0.00 0.00 177.57 177.75 1myf h THR 67 N -0.71 0.36 0.78 2.57 2.02 0.91 0.34 112.91 119.18 1myf h THR 67 Ca -0.05 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1myf h THR 67 Cb 0.49 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1myf h THR 67 CO 0.08 0.00 -0.38 0.58 0.37 0.00 0.00 175.52 176.17 1myf h VAL 68 N -0.00 0.00 -0.14 3.16 2.07 -0.47 -1.73 116.25 119.14 1myf h VAL 68 Ca 0.31 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 1myf h VAL 68 Cb 0.47 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1myf h VAL 68 CO -0.66 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 176.83 1myf h LEU 69 N -1.20 0.18 -0.65 2.57 3.38 -0.63 -1.47 115.31 117.49 1myf h LEU 69 Ca -0.11 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1myf h LEU 69 Cb 0.81 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1myf h LEU 69 CO 0.18 0.24 0.12 0.74 0.09 0.00 0.00 178.44 179.80 1myf h THR 70 N 0.19 1.26 0.71 0.22 2.02 -0.23 0.51 112.91 117.59 1myf h THR 70 Ca 0.05 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 1myf h THR 70 Cb 0.18 0.66 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1myf h THR 70 CO 0.01 0.38 -0.34 0.00 0.37 0.00 0.00 175.52 175.93 1myf h ALA 71 N 1.04 -1.03 -0.71 6.16 0.00 -0.41 0.56 119.26 124.87 1myf h ALA 71 Ca 0.20 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1myf h ALA 71 Cb 0.42 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1myf h ALA 71 CO 0.01 -0.96 0.47 1.25 0.00 0.00 0.00 179.25 180.02 1myf h LEU 72 N -1.15 0.65 0.29 0.00 5.85 -1.29 -0.67 115.31 118.97 1myf h LEU 72 Ca -0.10 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1myf h LEU 72 Cb 0.73 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1myf h LEU 72 CO 0.16 0.42 -0.14 1.23 -0.34 0.00 0.00 178.44 179.77 1myf h GLY 73 N 0.73 -0.40 0.84 3.75 0.00 0.04 0.59 103.07 108.63 1myf h GLY 73 Ca 0.31 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.82 1myf h GLY 73 CO -0.10 -0.15 0.43 0.00 0.00 0.00 0.00 176.54 176.72 1myf h ALA 74 N 0.19 0.91 0.02 3.60 0.00 -0.38 0.27 119.26 123.87 1myf h ALA 74 Ca -0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1myf h ALA 74 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1myf h ALA 74 CO 0.06 0.18 -0.18 0.82 0.00 0.00 0.00 179.25 180.14 1myf h ILE 75 N 0.83 0.57 -0.48 0.00 2.04 -0.93 0.25 117.51 119.79 1myf h ILE 75 Ca 0.28 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.16 1myf h ILE 75 Cb 0.04 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1myf h ILE 75 CO -0.12 0.00 0.29 -0.07 0.00 0.00 0.00 178.15 178.25 1myf h LEU 76 N -0.31 0.47 -1.39 1.44 3.38 -0.35 -2.45 115.31 116.10 1myf h LEU 76 Ca 0.05 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1myf h LEU 76 Cb 0.37 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1myf h LEU 76 CO -0.16 0.34 0.47 0.11 0.09 0.00 0.00 178.44 179.29 1myf h LYS 77 N 0.58 0.71 0.00 1.13 1.79 0.50 0.78 116.57 122.06 1myf h LYS 77 Ca 0.19 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1myf h LYS 77 Cb 0.00 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 1myf h LYS 77 CO -0.08 0.47 0.00 1.63 -1.08 0.00 0.00 179.45 180.39 1myf n LYS 78 N -4.48 0.34 -4.00 3.15 4.76 -0.02 -4.88 118.16 113.02 1myf n LYS 78 Ca 0.11 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.28 1myf n LYS 78 Cb 0.23 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.84 1myf n LYS 78 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1myf n LYS 79 N -1.00 -0.93 -0.28 1.97 2.85 0.27 -0.55 118.16 120.47 1myf n LYS 79 Ca 0.08 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.42 1myf n LYS 79 Cb 0.04 -3.05 0.00 0.00 -0.65 0.00 0.00 35.03 31.36 1myf n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1myf n GLY 80 N -2.17 0.66 2.76 2.58 0.00 -1.26 -4.99 105.19 102.76 1myf n GLY 80 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1myf n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1myf n HIS 81 N -2.02 3.47 -4.20 1.61 8.25 0.28 -4.99 115.22 117.63 1myf n HIS 81 Ca 0.00 -3.54 -0.12 0.00 -0.26 0.00 0.00 57.72 53.80 1myf n HIS 81 Cb 0.00 -0.76 -0.10 0.00 1.12 0.00 0.00 29.99 30.25 1myf n HIS 81 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1myf s HIS 82 N -3.38 1.01 0.08 4.41 -3.43 -1.26 -4.90 115.29 107.82 1myf s HIS 82 Ca 0.43 -0.97 0.00 0.00 -0.80 0.00 0.00 55.06 53.72 1myf s HIS 82 Cb 0.20 -0.58 0.00 0.00 -1.43 0.00 0.00 32.58 30.78 1myf s HIS 82 CO -0.08 -0.19 0.00 -0.85 -2.00 0.00 0.00 174.74 171.62 1myf n GLU 83 N -0.12 0.00 -0.07 -0.38 0.00 -1.26 -4.96 120.64 113.84 1myf n GLU 83 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 56.97 1myf n GLU 83 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 32.03 1myf n GLU 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1myf h ALA 84 N 0.00 0.34 0.00 -1.84 0.00 -2.01 -0.92 119.26 114.83 1myf h ALA 84 Ca 0.00 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.33 1myf h ALA 84 Cb 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1myf h ALA 84 CO 0.00 -0.16 2.89 -1.91 0.00 0.00 0.00 179.25 180.08 1myf n GLU 85 N -4.87 3.13 0.02 0.00 2.13 -1.26 -3.55 120.64 116.25 1myf n GLU 85 Ca -0.02 -1.85 0.00 0.00 0.66 0.00 0.00 57.16 55.94 1myf n GLU 85 Cb 0.05 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.17 1myf n GLU 85 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1myf n LEU 86 N 3.46 -0.41 -0.32 4.31 7.94 -1.05 -4.78 117.00 126.15 1myf n LEU 86 Ca 0.67 0.45 0.04 0.00 -1.11 0.00 0.00 56.01 56.06 1myf n LEU 86 Cb 0.34 0.75 0.11 0.00 0.53 0.00 0.00 43.42 45.15 1myf n LEU 86 CO 0.70 0.02 0.68 0.11 -1.11 0.00 0.00 177.39 177.79 1myf h LYS 87 N 0.00 -0.00 -0.67 1.96 1.57 -1.22 0.39 116.57 118.59 1myf h LYS 87 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1myf h LYS 87 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1myf h LYS 87 CO 0.00 -0.00 0.44 -1.35 -0.57 0.00 0.00 179.45 177.97 1myf h PRO 88 N -0.00 0.61 -0.33 3.15 0.11 -1.86 -0.48 132.00 133.20 1myf h PRO 88 Ca 0.43 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.48 1myf h PRO 88 Cb 0.65 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1myf h PRO 88 CO -0.92 0.40 0.13 1.25 -0.21 0.00 0.00 178.00 178.65 1myf h LEU 89 N 0.63 0.47 -0.24 2.35 6.46 -0.60 -1.22 115.31 123.16 1myf h LEU 89 Ca 0.30 -0.18 0.05 0.00 -0.12 0.00 0.00 57.88 57.93 1myf h LEU 89 Cb 0.36 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 1myf h LEU 89 CO -0.10 0.52 -0.09 0.00 -0.62 0.00 0.00 178.44 178.15 1myf h ALA 90 N 0.97 0.12 -0.37 1.25 0.00 -0.35 0.05 119.26 120.93 1myf h ALA 90 Ca 0.11 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1myf h ALA 90 Cb 0.20 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1myf h ALA 90 CO -0.01 -0.50 -0.10 1.96 0.00 0.00 0.00 179.25 180.60 1myf h GLN 91 N -0.04 -0.02 0.66 0.00 4.20 -0.80 0.19 115.11 119.30 1myf h GLN 91 Ca 0.12 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1myf h GLN 91 Cb 0.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1myf h GLN 91 CO -0.27 -0.01 -0.44 0.77 -0.67 0.00 0.00 178.83 178.21 1myf h SER 92 N -0.02 -1.13 -0.21 1.46 0.02 -0.68 0.25 113.55 113.24 1myf h SER 92 Ca 0.18 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1myf h SER 92 Cb 0.29 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1myf h SER 92 CO -0.39 -0.66 0.29 0.45 -1.14 0.00 0.00 176.83 175.38 1myf h HIS 93 N -1.04 0.00 0.00 3.45 3.86 -0.44 0.15 115.15 121.13 1myf h HIS 93 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1myf h HIS 93 Cb 0.86 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1myf h HIS 93 CO -0.13 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.66 1myf n ALA 94 N -2.24 0.00 -0.03 2.45 0.00 0.60 -0.56 120.51 120.74 1myf n ALA 94 Ca 0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 1myf n ALA 94 Cb 0.42 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.98 1myf n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1myf h THR 95 N 0.00 1.29 0.00 0.00 1.03 -0.49 -1.64 112.91 113.10 1myf h THR 95 Ca 0.00 -1.45 -0.09 0.00 -0.01 0.00 0.00 66.41 64.86 1myf h THR 95 Cb 0.00 1.42 -0.01 0.00 -1.07 0.00 0.00 68.15 68.49 1myf h THR 95 CO 0.00 0.47 -0.86 0.29 -0.01 0.00 0.00 175.52 175.40 1myf n LYS 96 N -4.07 0.50 0.09 0.00 5.02 -0.09 -4.67 118.16 114.94 1myf n LYS 96 Ca -0.01 0.51 0.06 0.00 -2.02 0.00 0.00 58.31 56.85 1myf n LYS 96 Cb 0.48 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 1myf n LYS 96 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1myf h HIS 97 N -1.00 0.00 -5.97 2.13 3.86 -1.31 -3.49 115.15 109.37 1myf h HIS 97 Ca -0.14 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.78 1myf h HIS 97 Cb 0.83 0.00 0.06 0.00 1.06 0.00 0.00 27.41 29.37 1myf h HIS 97 CO -0.14 0.29 -0.69 1.17 0.86 0.00 0.00 177.93 179.42 1myf n LYS 98 N -2.86 -1.44 -3.56 2.45 4.81 0.28 -4.94 118.16 112.90 1myf n LYS 98 Ca -0.03 0.86 -0.41 0.00 -0.87 0.00 0.00 58.31 57.86 1myf n LYS 98 Cb 0.69 -4.50 -0.08 0.00 0.02 0.00 0.00 35.03 31.15 1myf n LYS 98 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1myf s ILE 99 N -3.24 4.27 -1.61 3.15 1.01 0.28 -5.00 121.20 120.06 1myf s ILE 99 Ca 0.26 -2.06 -0.10 0.00 0.00 0.00 0.00 60.65 58.75 1myf s ILE 99 Cb -0.08 -3.79 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 1myf s ILE 99 CO 0.82 -0.82 2.91 -0.81 0.00 0.00 0.00 174.94 177.04 1myf n PRO 100 N 4.57 3.64 -3.79 2.79 -0.04 -1.26 -4.69 135.00 136.22 1myf n PRO 100 Ca -0.03 -2.22 -0.28 0.00 -0.04 0.00 0.00 63.50 60.94 1myf n PRO 100 Cb 0.41 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1myf n PRO 100 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1myf n ILE 101 N 3.69 -2.88 0.06 0.52 5.41 -1.26 -4.83 119.36 120.06 1myf n ILE 101 Ca 0.77 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 64.40 1myf n ILE 101 Cb 0.24 -2.55 0.00 0.00 -0.71 0.00 0.00 39.64 36.62 1myf n ILE 101 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1myf n LYS 102 N -2.97 0.00 0.05 0.38 5.02 -1.26 -4.91 118.16 114.47 1myf n LYS 102 Ca -0.27 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.11 1myf n LYS 102 Cb 0.63 0.00 0.52 0.00 -0.02 0.00 0.00 35.03 36.16 1myf n LYS 102 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1myf h TYR 103 N 0.00 0.31 0.00 2.13 0.05 -1.92 0.10 116.97 117.65 1myf h TYR 103 Ca 0.00 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1myf h TYR 103 Cb 0.00 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 1myf h TYR 103 CO 0.00 0.18 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.19 1myf h LEU 104 N 0.32 0.00 -0.38 3.88 3.38 -1.94 0.11 115.31 120.68 1myf h LEU 104 Ca 0.15 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 1myf h LEU 104 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1myf h LEU 104 CO -0.03 0.03 -0.73 -0.33 0.09 0.00 0.00 178.44 177.46 1myf h GLU 105 N 0.00 0.46 -0.47 1.13 5.08 -1.15 -0.68 114.58 118.94 1myf h GLU 105 Ca -0.00 -0.37 -0.13 0.00 -1.00 0.00 0.00 59.36 57.86 1myf h GLU 105 Cb 0.07 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1myf h GLU 105 CO 0.00 1.00 -0.21 0.74 -1.00 0.00 0.00 179.01 179.55 1myf h PHE 106 N 0.31 1.09 -0.09 4.33 0.04 -0.73 0.78 116.94 122.68 1myf h PHE 106 Ca -0.03 -0.26 -0.10 0.00 2.80 0.00 0.00 57.97 60.37 1myf h PHE 106 Cb 1.31 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1myf h PHE 106 CO 0.05 1.07 -0.41 0.97 -0.60 0.00 0.00 178.31 179.39 1myf h ILE 107 N 0.83 1.31 -0.17 -0.55 2.10 -0.90 0.41 117.51 120.53 1myf h ILE 107 Ca 0.11 -1.50 -0.00 0.00 1.08 0.00 0.00 64.86 64.54 1myf h ILE 107 Cb 0.78 1.70 -0.01 0.00 -1.09 0.00 0.00 36.82 38.19 1myf h ILE 107 CO 0.06 0.45 0.11 0.28 -1.08 0.00 0.00 178.15 177.97 1myf h SER 108 N 0.17 0.20 -0.28 2.19 0.02 -0.81 0.29 113.55 115.34 1myf h SER 108 Ca 0.02 -0.04 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1myf h SER 108 Cb 0.80 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.25 1myf h SER 108 CO 0.06 0.18 -0.01 -0.08 -1.14 0.00 0.00 176.83 175.84 1myf h GLU 109 N 0.21 0.07 0.21 3.45 4.81 -0.48 0.09 114.58 122.93 1myf h GLU 109 Ca 0.06 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1myf h GLU 109 Cb 0.01 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1myf h GLU 109 CO -0.01 0.05 -0.31 0.00 -0.73 0.00 0.00 179.01 178.01 1myf h ALA 110 N 1.25 -0.58 -0.75 2.92 0.00 -0.70 0.11 119.26 121.51 1myf h ALA 110 Ca 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1myf h ALA 110 Cb 0.18 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1myf h ALA 110 CO -0.23 -0.87 0.32 0.97 0.00 0.00 0.00 179.25 179.43 1myf h ILE 111 N -0.58 1.24 -0.66 0.00 2.10 -0.68 0.36 117.51 119.29 1myf h ILE 111 Ca 0.01 -0.74 0.03 0.00 1.08 0.00 0.00 64.86 65.24 1myf h ILE 111 Cb 0.57 0.33 -0.04 0.00 -1.09 0.00 0.00 36.82 36.59 1myf h ILE 111 CO -0.12 0.31 0.41 0.40 -1.08 0.00 0.00 178.15 178.06 1myf h ILE 112 N 1.07 1.07 -0.21 2.19 2.04 -0.70 0.48 117.51 123.45 1myf h ILE 112 Ca 0.25 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1myf h ILE 112 Cb 0.17 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1myf h ILE 112 CO -0.03 0.14 0.09 -0.74 0.00 0.00 0.00 178.15 177.62 1myf h HIS 113 N 0.79 0.18 0.27 1.37 2.76 0.11 0.55 115.15 121.18 1myf h HIS 113 Ca 0.27 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 1myf h HIS 113 Cb 0.04 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 1myf h HIS 113 CO -0.05 0.10 -0.19 0.28 -1.30 0.00 0.00 177.93 176.77 1myf h VAL 114 N 0.21 0.60 -0.15 5.26 2.07 -0.23 0.48 116.25 124.48 1myf h VAL 114 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1myf h VAL 114 Cb 0.03 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1myf h VAL 114 CO -0.07 0.00 -0.21 -0.07 0.02 0.00 0.00 177.57 177.24 1myf h LEU 115 N -0.46 -0.65 -0.45 2.57 3.38 -0.77 0.21 115.31 119.14 1myf h LEU 115 Ca -0.02 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1myf h LEU 115 Cb 0.39 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1myf h LEU 115 CO 0.01 -0.26 0.24 -0.74 0.09 0.00 0.00 178.44 177.78 1myf h HIS 116 N -0.25 0.45 0.23 1.13 2.76 -0.67 0.28 115.15 119.07 1myf h HIS 116 Ca 0.11 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1myf h HIS 116 Cb 0.41 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1myf h HIS 116 CO -0.32 0.24 -0.11 1.03 -1.30 0.00 0.00 177.93 177.47 1myf h SER 117 N 0.48 -0.26 0.92 3.26 0.87 -0.24 -3.26 113.55 115.33 1myf h SER 117 Ca 0.19 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1myf h SER 117 Cb 0.07 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1myf h SER 117 CO -0.12 0.25 -0.86 0.03 -0.53 0.00 0.00 176.83 175.60 1myf h ARG 118 N -0.90 0.00 -1.16 2.24 -0.00 -0.67 -3.39 114.38 110.50 1myf h ARG 118 Ca -0.03 0.00 -0.46 0.00 -0.50 0.00 0.00 59.98 58.99 1myf h ARG 118 Cb 0.50 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.06 1myf h ARG 118 CO 0.05 0.00 -0.98 0.72 0.00 0.00 0.00 179.97 179.76 1myf n HIS 119 N -2.43 2.17 -1.12 3.04 8.25 0.98 -5.03 115.22 121.08 1myf n HIS 119 Ca 0.01 -2.85 -0.30 0.00 -0.26 0.00 0.00 57.72 54.32 1myf n HIS 119 Cb 0.50 -0.25 0.13 0.00 1.12 0.00 0.00 29.99 31.50 1myf n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1myf s PRO 120 N -3.36 1.52 0.00 -0.41 0.04 -1.23 -0.13 135.00 131.44 1myf s PRO 120 Ca 0.37 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1myf s PRO 120 Cb 0.42 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 33.14 1myf s PRO 120 CO -0.06 -2.13 0.00 0.41 0.04 0.00 0.00 177.00 175.26 1myf n GLY 121 N -0.87 1.54 0.16 0.56 0.00 -1.26 -4.20 105.19 101.11 1myf n GLY 121 Ca 0.08 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1myf n GLY 121 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1myf h ASP 122 N 0.00 0.48 -0.50 1.61 3.58 -1.97 -3.15 116.42 116.47 1myf h ASP 122 Ca 0.00 -0.43 -0.71 0.00 0.42 0.00 0.00 57.03 56.31 1myf h ASP 122 Cb 0.00 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 40.87 1myf h ASP 122 CO 0.00 0.81 3.13 0.33 -2.88 0.00 0.00 179.24 180.62 1myf n PHE 123 N -4.51 2.69 -2.05 0.28 7.35 0.82 -4.70 117.46 117.33 1myf n PHE 123 Ca -0.05 -2.96 -0.29 0.00 -0.76 0.00 0.00 57.45 53.39 1myf n PHE 123 Cb 0.35 -2.25 0.17 0.00 0.35 0.00 0.00 39.48 38.10 1myf n PHE 123 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1myf s GLY 124 N 1.62 1.77 0.17 7.13 0.00 -1.19 -4.72 107.32 112.10 1myf s GLY 124 Ca 0.59 -1.27 -0.17 0.00 0.00 0.00 0.00 44.72 43.87 1myf s GLY 124 CO -0.07 -0.55 1.65 0.00 0.00 0.00 0.00 173.10 174.13 1myf h ALA 125 N -1.41 0.23 -0.47 3.20 0.00 -1.92 0.12 119.26 119.02 1myf h ALA 125 Ca -0.43 0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1myf h ALA 125 Cb 1.25 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 1myf h ALA 125 CO 0.40 -0.48 0.15 -0.44 0.00 0.00 0.00 179.25 178.88 1myf h ASP 126 N -0.04 0.14 -0.13 0.00 5.19 -1.95 0.54 116.42 120.16 1myf h ASP 126 Ca 0.21 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 1myf h ASP 126 Cb 0.36 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1myf h ASP 126 CO -0.46 0.11 0.06 0.00 -3.12 0.00 0.00 179.24 175.82 1myf h ALA 127 N 1.32 0.17 -0.64 3.45 0.00 -1.57 0.56 119.26 122.56 1myf h ALA 127 Ca 0.22 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.17 1myf h ALA 127 Cb 0.24 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 1myf h ALA 127 CO -0.24 -0.26 0.16 0.37 0.00 0.00 0.00 179.25 179.28 1myf h GLN 128 N 0.07 0.28 -0.08 0.00 4.15 -0.02 0.21 115.11 119.71 1myf h GLN 128 Ca 0.04 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1myf h GLN 128 Cb 0.14 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1myf h GLN 128 CO -0.00 0.19 0.02 0.78 -1.93 0.00 0.00 178.83 177.88 1myf h GLY 129 N 0.29 0.14 0.46 2.39 0.00 -0.67 0.17 103.07 105.86 1myf h GLY 129 Ca 0.34 -0.09 0.16 0.00 0.00 0.00 0.00 47.33 47.74 1myf h GLY 129 CO -0.41 0.08 0.58 0.00 0.00 0.00 0.00 176.54 176.79 1myf h ALA 130 N 0.81 1.90 0.14 3.60 0.00 0.29 0.69 119.26 126.70 1myf h ALA 130 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1myf h ALA 130 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1myf h ALA 130 CO 0.00 -0.16 -0.07 1.98 0.00 0.00 0.00 179.25 181.00 1myf h MET 131 N 0.63 -0.19 -1.04 0.00 -1.53 -0.46 -1.67 114.93 110.67 1myf h MET 131 Ca 0.46 0.01 0.27 0.00 -3.44 0.00 0.00 59.70 57.00 1myf h MET 131 Cb 0.82 0.04 -0.11 0.00 -0.55 0.00 0.00 31.60 31.80 1myf h MET 131 CO -0.21 -0.12 0.64 -0.97 0.14 0.00 0.00 176.91 176.39 1myf h ASN 132 N -0.86 0.54 -0.92 1.39 -0.73 -0.50 -1.02 115.58 113.48 1myf h ASN 132 Ca -0.02 0.11 -0.50 0.00 1.87 0.00 0.00 56.30 57.76 1myf h ASN 132 Cb 0.15 0.03 -0.42 0.00 0.27 0.00 0.00 38.32 38.35 1myf h ASN 132 CO 0.03 0.07 -0.86 0.29 -0.37 0.00 0.00 177.43 176.59 1myf n LYS 133 N -4.76 3.15 0.16 6.67 4.76 0.22 -4.73 118.16 123.62 1myf n LYS 133 Ca 0.27 -4.10 0.19 0.00 -2.87 0.00 0.00 58.31 51.79 1myf n LYS 133 Cb 0.86 -2.11 0.79 0.00 -1.84 0.00 0.00 35.03 32.73 1myf n LYS 133 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1myf h ALA 134 N 2.39 1.94 0.00 7.82 0.00 -0.18 -3.44 119.26 127.80 1myf h ALA 134 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1myf h ALA 134 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1myf h ALA 134 CO 0.69 -0.46 0.00 1.28 0.00 0.00 0.00 179.25 180.75 1myf n LEU 135 N -3.74 0.00 0.00 0.00 4.77 -1.26 -4.61 117.00 112.15 1myf n LEU 135 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1myf n LEU 135 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1myf n LEU 135 CO 0.27 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.71 1myf n GLU 136 N 0.00 0.00 -0.46 3.23 1.02 -1.26 -4.84 120.64 118.33 1myf n GLU 136 Ca 0.00 0.00 0.36 0.00 -0.02 0.00 0.00 57.16 57.50 1myf n GLU 136 Cb 0.00 -2.85 0.56 0.00 -0.02 0.00 0.00 31.44 29.13 1myf n GLU 136 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1myf n LEU 137 N 0.00 0.05 -0.06 -4.62 -0.00 -1.26 -0.30 117.00 110.81 1myf n LEU 137 Ca 0.00 0.82 -0.08 0.00 -0.00 0.00 0.00 56.01 56.75 1myf n LEU 137 Cb 0.00 -0.41 -0.01 0.00 -0.00 0.00 0.00 43.42 43.00 1myf n LEU 137 CO 0.00 -0.85 0.72 0.15 -0.00 0.00 0.00 177.39 177.41 1myf h PHE 138 N 0.00 -0.55 -0.38 1.47 3.57 -2.00 0.90 116.94 119.95 1myf h PHE 138 Ca 0.67 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 62.11 1myf h PHE 138 Cb 2.52 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 41.52 1myf h PHE 138 CO -0.00 -0.29 -0.15 0.00 -2.23 0.00 0.00 178.31 175.64 1myf h ARG 139 N -0.20 0.70 -0.62 1.11 3.08 -1.07 -2.92 114.38 114.47 1myf h ARG 139 Ca 0.15 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1myf h ARG 139 Cb 0.42 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1myf h ARG 139 CO -0.39 0.82 0.17 0.87 -1.07 0.00 0.00 179.97 180.36 1myf h LYS 140 N 0.63 0.98 -0.12 0.04 1.57 -1.06 0.17 116.57 118.77 1myf h LYS 140 Ca 0.10 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1myf h LYS 140 Cb 0.61 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1myf h LYS 140 CO 0.04 0.88 0.02 0.22 -0.57 0.00 0.00 179.45 180.05 1myf h ASP 141 N 0.90 0.19 -0.52 0.86 1.82 -0.80 0.53 116.42 119.41 1myf h ASP 141 Ca 0.20 -0.25 0.04 0.00 -0.39 0.00 0.00 57.03 56.63 1myf h ASP 141 Cb 0.33 -0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.25 1myf h ASP 141 CO -0.00 0.39 0.27 0.40 -1.61 0.00 0.00 179.24 178.69 1myf h ILE 142 N -0.01 0.97 -0.19 2.25 2.04 -1.38 0.11 117.51 121.30 1myf h ILE 142 Ca 0.04 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1myf h ILE 142 Cb 0.28 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1myf h ILE 142 CO 0.00 0.10 0.11 0.00 0.00 0.00 0.00 178.15 178.35 1myf h ALA 143 N 1.27 0.24 -0.68 1.87 0.00 -0.40 0.18 119.26 121.74 1myf h ALA 143 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1myf h ALA 143 Cb 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1myf h ALA 143 CO -0.15 -0.23 0.44 0.00 0.00 0.00 0.00 179.25 179.31 1myf h ALA 144 N 1.00 0.87 -0.44 0.00 0.00 -0.53 -0.09 119.26 120.06 1myf h ALA 144 Ca 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1myf h ALA 144 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1myf h ALA 144 CO -0.01 0.31 -0.05 -0.22 0.00 0.00 0.00 179.25 179.27 1myf h LYS 145 N 0.93 0.82 0.07 0.00 1.63 -0.39 0.11 116.57 119.73 1myf h LYS 145 Ca 0.25 -0.29 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1myf h LYS 145 Cb -0.08 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.45 1myf h LYS 145 CO -0.05 0.91 -0.29 1.88 -3.45 0.00 0.00 179.45 178.45 1myf h TYR 146 N 0.66 -0.80 -0.96 1.91 -1.99 -0.36 0.32 116.97 115.75 1myf h TYR 146 Ca 0.12 0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.95 1myf h TYR 146 Cb 0.57 0.34 -0.07 0.00 2.00 0.00 0.00 36.73 39.58 1myf h TYR 146 CO 0.04 -0.39 0.62 0.87 -0.00 0.00 0.00 178.16 179.30 1myf h LYS 147 N -0.48 1.05 -0.83 4.88 1.57 -0.85 0.18 116.57 122.09 1myf h LYS 147 Ca 0.04 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1myf h LYS 147 Cb 0.53 -0.24 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 1myf h LYS 147 CO -0.21 0.69 0.50 1.49 -0.57 0.00 0.00 179.45 181.36 1myf h GLU 148 N 1.08 0.88 0.00 3.15 4.81 0.43 0.12 114.58 125.05 1myf h GLU 148 Ca 0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1myf h GLU 148 Cb 0.24 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1myf h GLU 148 CO -0.18 0.58 0.00 1.28 -0.73 0.00 0.00 179.01 179.97 1myf n LEU 149 N -4.66 0.00 -1.22 1.64 4.77 0.26 -4.86 117.00 112.93 1myf n LEU 149 Ca 0.12 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 1myf n LEU 149 Cb 0.20 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1myf n LEU 149 CO 0.30 -0.02 -0.14 0.61 -1.33 0.00 0.00 177.39 176.81 1myf n GLY 150 N 0.52 0.37 3.72 -0.72 0.00 0.42 -4.98 105.19 104.53 1myf n GLY 150 Ca 0.16 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1myf n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1myf s TYR 151 N -2.55 3.54 -1.10 1.61 6.14 0.39 -4.96 117.35 120.43 1myf s TYR 151 Ca 0.00 1.08 -0.15 0.00 0.64 0.00 0.00 57.07 58.64 1myf s TYR 151 Cb 0.00 -2.69 -0.07 0.00 0.42 0.00 0.00 41.96 39.62 1myf s TYR 151 CO 0.00 0.12 2.18 1.04 0.64 0.00 0.00 175.55 179.53 1myf n GLN 152 N 3.77 2.28 0.00 4.97 1.13 -1.26 -3.70 117.38 124.56 1myf n GLN 152 Ca -0.04 -2.01 0.06 0.00 -1.94 0.00 0.00 57.00 53.07 1myf n GLN 152 Cb 0.51 -2.90 0.35 0.00 0.11 0.00 0.00 30.24 28.31 1myf n GLN 152 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03