#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 2.23 0.76 1.34 1.02 -1.26 -5.07 118.68 117.70 1myf s LEU 2 Ca 0.00 -0.46 -0.12 0.00 0.02 0.00 0.00 54.13 53.57 1myf s LEU 2 Cb 0.00 -1.43 0.05 0.00 0.02 0.00 0.00 46.19 44.83 1myf s LEU 2 CO 0.00 0.23 1.11 -0.94 0.02 0.00 0.00 176.35 176.78 1myf s SER 3 N -0.08 4.88 0.28 2.29 1.04 -1.26 -4.79 113.70 116.06 1myf s SER 3 Ca -0.05 1.11 0.01 0.00 0.48 0.00 0.00 55.95 57.50 1myf s SER 3 Cb -0.14 -1.82 0.59 0.00 0.10 0.00 0.00 66.02 64.74 1myf s SER 3 CO 0.04 -1.70 1.79 -0.33 0.98 0.00 0.00 173.24 174.02 1myf h GLU 4 N -0.90 0.76 -0.14 4.02 3.07 -1.99 0.40 114.58 119.80 1myf h GLU 4 Ca -0.46 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.38 1myf h GLU 4 Cb 1.28 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.99 1myf h GLU 4 CO 0.63 0.50 -0.05 0.78 -1.40 0.00 0.00 179.01 179.47 1myf h GLY 5 N 0.78 0.08 0.95 -3.84 0.00 -1.99 0.99 103.07 100.05 1myf h GLY 5 Ca 0.50 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.86 1myf h GLY 5 CO -0.33 -0.07 0.13 0.83 0.00 0.00 0.00 176.54 177.10 1myf h GLU 6 N -0.02 0.71 -0.15 4.80 4.39 -1.66 -1.43 114.58 121.22 1myf h GLU 6 Ca 0.07 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1myf h GLU 6 Cb 0.13 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1myf h GLU 6 CO -0.15 0.69 0.08 -1.49 -1.16 0.00 0.00 179.01 176.98 1myf h TRP 7 N 0.59 0.16 -0.46 4.33 -0.00 -0.60 -0.00 115.95 119.97 1myf h TRP 7 Ca 0.14 0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 59.00 1myf h TRP 7 Cb 0.28 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.16 29.37 1myf h TRP 7 CO 0.01 0.09 0.11 -0.56 -0.00 0.00 0.00 178.44 178.10 1myf h GLN 8 N 0.18 0.69 0.46 0.49 -0.00 -0.67 0.50 115.11 116.76 1myf h GLN 8 Ca 0.06 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.65 58.57 1myf h GLN 8 Cb -0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 27.35 1myf h GLN 8 CO -0.03 0.63 -0.36 -0.07 -0.00 0.00 0.00 178.83 179.00 1myf h LEU 9 N 0.67 -0.93 -0.10 0.06 3.38 -0.92 -0.21 115.31 117.26 1myf h LEU 9 Ca 0.15 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.23 1myf h LEU 9 Cb 0.26 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1myf h LEU 9 CO -0.00 -0.53 -0.34 0.58 0.09 0.00 0.00 178.44 178.24 1myf h VAL 10 N -0.81 0.26 -0.86 1.22 2.07 -0.24 0.16 116.25 118.05 1myf h VAL 10 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 1myf h VAL 10 Cb 0.69 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1myf h VAL 10 CO 0.00 0.00 0.52 -0.07 0.02 0.00 0.00 177.57 178.04 1myf h LEU 11 N -0.44 0.81 -0.47 2.57 3.38 -0.87 0.20 115.31 120.50 1myf h LEU 11 Ca 0.08 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1myf h LEU 11 Cb 0.57 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1myf h LEU 11 CO -0.34 0.50 0.12 1.12 0.09 0.00 0.00 178.44 179.93 1myf h HIS 12 N 0.94 0.79 -0.95 1.13 2.07 0.35 -0.05 115.15 119.42 1myf h HIS 12 Ca 0.38 -0.09 0.06 0.00 -2.85 0.00 0.00 60.37 57.87 1myf h HIS 12 Cb 0.22 -0.22 -0.06 0.00 2.57 0.00 0.00 27.41 29.91 1myf h HIS 12 CO -0.04 0.72 0.61 0.28 -3.07 0.00 0.00 177.93 176.43 1myf h VAL 13 N 0.63 1.10 -0.13 6.12 2.07 0.19 0.11 116.25 126.33 1myf h VAL 13 Ca 0.15 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 1myf h VAL 13 Cb 0.32 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1myf h VAL 13 CO 0.00 0.21 -0.35 -0.25 0.02 0.00 0.00 177.57 177.20 1myf h TRP 14 N 1.13 0.32 -0.04 1.57 2.91 0.11 0.44 115.95 122.39 1myf h TRP 14 Ca 0.40 -0.08 -0.01 0.00 1.13 0.00 0.00 58.89 60.34 1myf h TRP 14 Cb 0.12 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 28.70 1myf h TRP 14 CO -0.01 0.60 -0.01 0.00 -1.03 0.00 0.00 178.44 177.98 1myf h ALA 15 N 1.40 0.06 0.00 2.65 0.00 -0.44 -3.26 119.26 119.68 1myf h ALA 15 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1myf h ALA 15 Cb 0.74 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1myf h ALA 15 CO 0.06 -0.23 -0.02 0.87 0.00 0.00 0.00 179.25 179.93 1myf h LYS 16 N -0.27 0.00 -0.55 0.00 1.79 0.10 0.26 116.57 117.90 1myf h LYS 16 Ca 0.01 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.64 1myf h LYS 16 Cb 0.41 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1myf h LYS 16 CO 0.00 0.02 0.64 0.28 -1.08 0.00 0.00 179.45 179.32 1myf h VAL 17 N 0.00 0.25 0.00 0.50 2.07 -0.24 -3.43 116.25 115.40 1myf h VAL 17 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1myf h VAL 17 Cb 0.13 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1myf h VAL 17 CO 0.00 0.00 0.00 1.21 0.02 0.00 0.00 177.57 178.80 1myf n GLU 18 N -3.54 0.00 -1.90 1.57 4.07 0.72 -4.09 120.64 117.47 1myf n GLU 18 Ca 0.11 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.16 1myf n GLU 18 Cb 0.84 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 32.21 1myf n GLU 18 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1myf n ALA 19 N -0.16 -0.55 -1.87 4.31 0.00 0.01 -4.79 120.51 117.45 1myf n ALA 19 Ca 0.00 0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.12 1myf n ALA 19 Cb 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 1myf n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1myf n ASP 20 N -0.72 7.72 -0.01 0.00 2.03 -1.26 -4.75 116.55 119.55 1myf n ASP 20 Ca -0.05 -3.14 -0.09 0.00 0.52 0.00 0.00 54.79 52.02 1myf n ASP 20 Cb 0.38 -1.34 -0.03 0.00 -0.72 0.00 0.00 41.12 39.41 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 2.47 0.50 0.37 5.18 3.04 -1.92 0.15 116.25 126.04 1myf h VAL 21 Ca 0.64 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 66.31 1myf h VAL 21 Cb 0.40 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1myf h VAL 21 CO 1.35 0.00 -0.19 0.00 -1.01 0.00 0.00 177.57 177.72 1myf h ALA 22 N 0.79 -0.51 0.12 3.17 0.00 -1.87 0.14 119.26 121.09 1myf h ALA 22 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1myf h ALA 22 Cb 0.40 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1myf h ALA 22 CO -0.29 -0.79 -0.06 0.78 0.00 0.00 0.00 179.25 178.89 1myf h GLY 23 N -0.52 -0.16 0.97 0.00 0.00 -1.86 0.69 103.07 102.19 1myf h GLY 23 Ca -0.05 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1myf h GLY 23 CO 0.07 -0.06 0.29 0.45 0.00 0.00 0.00 176.54 177.30 1myf h HIS 24 N -0.25 0.55 -0.34 5.60 3.86 -0.74 0.87 115.15 124.70 1myf h HIS 24 Ca -0.02 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1myf h HIS 24 Cb 0.20 -0.19 -0.07 0.00 1.06 0.00 0.00 27.41 28.41 1myf h HIS 24 CO -0.04 0.34 -0.14 0.78 0.86 0.00 0.00 177.93 179.73 1myf h GLY 25 N 0.60 0.15 0.76 2.45 0.00 -0.31 0.33 103.07 107.05 1myf h GLY 25 Ca 0.17 0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.64 1myf h GLY 25 CO -0.05 -0.16 -0.36 -1.61 0.00 0.00 0.00 176.54 174.35 1myf h GLN 26 N -0.07 -0.98 -0.92 4.80 4.15 -0.07 -2.38 115.11 119.63 1myf h GLN 26 Ca 0.17 0.07 0.27 0.00 0.77 0.00 0.00 58.65 59.92 1myf h GLN 26 Cb 0.33 0.22 -0.15 0.00 0.21 0.00 0.00 27.48 28.10 1myf h GLN 26 CO -0.39 -0.65 0.34 0.22 -1.93 0.00 0.00 178.83 176.42 1myf h ASP 27 N -1.06 0.16 -0.18 -0.69 3.58 -0.51 0.24 116.42 117.96 1myf h ASP 27 Ca -0.10 0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 1myf h ASP 27 Cb 0.78 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 1myf h ASP 27 CO 0.17 -0.15 0.05 0.40 -2.88 0.00 0.00 179.24 176.83 1myf h ILE 28 N 0.24 1.19 -0.38 2.25 2.04 -0.21 0.26 117.51 122.89 1myf h ILE 28 Ca 0.62 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 1myf h ILE 28 Cb 1.31 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1myf h ILE 28 CO -0.65 0.19 -0.06 -0.07 0.00 0.00 0.00 178.15 177.56 1myf h LEU 29 N 0.11 0.72 -0.51 1.44 3.38 -0.45 0.45 115.31 120.45 1myf h LEU 29 Ca 0.06 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.73 1myf h LEU 29 Cb 0.24 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1myf h LEU 29 CO -0.00 0.89 0.25 0.40 0.09 0.00 0.00 178.44 180.07 1myf h ILE 30 N 0.53 0.94 -0.06 1.22 2.04 -0.36 0.13 117.51 121.94 1myf h ILE 30 Ca 0.10 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1myf h ILE 30 Cb 0.57 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1myf h ILE 30 CO 0.03 0.09 0.03 0.03 0.00 0.00 0.00 178.15 178.33 1myf h ARG 31 N 0.49 0.09 -0.42 2.37 2.47 -0.24 0.16 114.38 119.30 1myf h ARG 31 Ca 0.23 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 59.00 1myf h ARG 31 Cb 0.15 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.40 1myf h ARG 31 CO -0.17 0.14 0.11 1.25 0.56 0.00 0.00 179.97 181.86 1myf h LEU 32 N 0.01 0.07 0.31 3.04 5.85 -0.27 0.14 115.31 124.47 1myf h LEU 32 Ca 0.02 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1myf h LEU 32 Cb 0.08 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1myf h LEU 32 CO -0.00 0.08 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.76 1myf h PHE 33 N 0.26 -0.39 -0.90 1.25 0.04 -0.55 0.87 116.94 117.53 1myf h PHE 33 Ca 0.20 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.99 1myf h PHE 33 Cb 0.22 0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.45 1myf h PHE 33 CO -0.18 -0.07 0.58 -0.22 -0.60 0.00 0.00 178.31 177.82 1myf h LYS 34 N -0.74 1.10 0.07 1.51 1.63 -0.51 -2.38 116.57 117.25 1myf h LYS 34 Ca -0.04 -0.07 -0.14 0.00 -0.85 0.00 0.00 60.65 59.55 1myf h LYS 34 Cb 0.50 -0.25 0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1myf h LYS 34 CO 0.07 0.73 -0.61 0.77 -3.45 0.00 0.00 179.45 176.96 1myf h SER 35 N 1.13 0.42 -3.36 4.20 0.02 -0.78 -3.41 113.55 111.76 1myf h SER 35 Ca 0.35 -0.88 -0.62 0.00 -0.84 0.00 0.00 61.79 59.81 1myf h SER 35 Cb -0.01 -0.13 -0.41 0.00 0.14 0.00 0.00 62.40 61.99 1myf h SER 35 CO -0.11 1.25 -0.66 -1.00 -1.14 0.00 0.00 176.83 175.17 1myf s HIS 36 N -2.73 2.91 0.64 3.45 3.76 0.30 -4.97 115.29 118.64 1myf s HIS 36 Ca -0.14 -3.03 0.32 0.00 -0.15 0.00 0.00 55.06 52.06 1myf s HIS 36 Cb 0.01 -2.37 1.79 0.00 1.11 0.00 0.00 32.58 33.12 1myf s HIS 36 CO 0.81 -0.66 2.07 -1.00 -0.85 0.00 0.00 174.74 175.10 1myf h PRO 37 N 5.89 0.00 -0.05 8.40 0.13 -1.63 -0.21 132.00 144.53 1myf h PRO 37 Ca 0.08 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.23 1myf h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1myf h PRO 37 CO 0.63 0.00 0.04 0.93 -0.23 0.00 0.00 178.00 179.37 1myf h GLU 38 N 0.00 0.00 0.18 0.86 3.07 -1.91 0.01 114.58 116.80 1myf h GLU 38 Ca 0.05 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1myf h GLU 38 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1myf h GLU 38 CO -0.00 0.00 -0.09 1.79 -1.40 0.00 0.00 179.01 179.31 1myf h THR 39 N 0.00 0.92 -0.89 1.13 1.35 -1.32 -2.87 112.91 111.23 1myf h THR 39 Ca 0.03 -0.75 0.02 0.00 -0.55 0.00 0.00 66.41 65.16 1myf h THR 39 Cb 0.11 1.36 -0.05 0.00 -1.73 0.00 0.00 68.15 67.84 1myf h THR 39 CO -0.00 0.16 0.59 0.25 -0.25 0.00 0.00 175.52 176.27 1myf h LEU 40 N -0.63 0.98 -1.17 3.87 5.85 -1.59 0.31 115.31 122.93 1myf h LEU 40 Ca -0.03 -0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.83 1myf h LEU 40 Cb 0.46 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 1myf h LEU 40 CO 0.04 0.69 0.60 -0.08 -0.34 0.00 0.00 178.44 179.36 1myf h GLU 41 N 1.15 0.73 0.00 1.25 4.81 -0.97 -1.94 114.58 119.62 1myf h GLU 41 Ca 0.34 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.33 1myf h GLU 41 Cb -0.05 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1myf h GLU 41 CO -0.09 0.48 -0.89 -0.22 -0.73 0.00 0.00 179.01 177.57 1myf h LYS 42 N 0.75 0.22 -5.71 1.92 3.64 -0.73 -3.42 116.57 113.24 1myf h LYS 42 Ca 0.50 -0.24 -0.36 0.00 -1.27 0.00 0.00 60.65 59.28 1myf h LYS 42 Cb 0.77 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1myf h LYS 42 CO -0.26 0.97 1.10 -0.06 -2.27 0.00 0.00 179.45 178.92 1myf s PHE 43 N -3.21 1.41 0.23 1.91 0.40 -0.73 -4.85 117.98 113.14 1myf s PHE 43 Ca -0.03 1.22 -0.09 0.00 -0.60 0.00 0.00 56.93 57.43 1myf s PHE 43 Cb 0.10 -3.81 0.36 0.00 0.51 0.00 0.00 43.02 40.19 1myf s PHE 43 CO 0.83 -2.15 1.64 -0.44 0.70 0.00 0.00 175.22 175.81 1myf h ASP 44 N 15.37 -0.35 0.07 1.36 5.19 -1.83 0.26 116.42 136.48 1myf h ASP 44 Ca -0.14 0.18 -0.24 0.00 -0.62 0.00 0.00 57.03 56.21 1myf h ASP 44 Cb 1.14 0.32 0.01 0.00 0.18 0.00 0.00 39.33 40.98 1myf h ASP 44 CO 1.16 -0.16 -0.93 0.03 -3.12 0.00 0.00 179.24 176.22 1myf h ARG 45 N 0.10 0.63 0.00 3.56 -0.00 -1.94 -3.35 114.38 113.38 1myf h ARG 45 Ca 0.37 -0.62 -0.10 0.00 -0.50 0.00 0.00 59.98 59.13 1myf h ARG 45 Cb 0.62 0.16 -0.02 0.00 0.00 0.00 0.00 29.97 30.74 1myf h ARG 45 CO -0.61 1.23 -0.96 0.74 0.00 0.00 0.00 179.97 180.36 1myf h PHE 46 N 0.38 0.00 -0.99 3.04 0.04 -1.66 -3.38 116.94 114.37 1myf h PHE 46 Ca -0.09 0.00 0.35 0.00 2.80 0.00 0.00 57.97 61.02 1myf h PHE 46 Cb 1.57 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 39.55 1myf h PHE 46 CO 0.08 0.36 0.45 -0.22 -0.60 0.00 0.00 178.31 178.39 1myf h LYS 47 N 0.00 0.14 0.00 1.51 3.11 -0.59 0.15 116.57 120.89 1myf h LYS 47 Ca -0.07 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.76 1myf h LYS 47 Cb 1.34 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.54 1myf h LYS 47 CO 0.04 0.09 -0.03 1.12 -2.81 0.00 0.00 179.45 177.86 1myf h HIS 48 N 0.14 0.00 -2.42 1.91 2.07 -1.81 -3.39 115.15 111.66 1myf h HIS 48 Ca 0.74 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 57.67 1myf h HIS 48 Cb 1.79 0.00 -0.12 0.00 2.57 0.00 0.00 27.41 31.65 1myf h HIS 48 CO -0.10 0.03 0.83 -0.51 -3.07 0.00 0.00 177.93 175.11 1myf s LEU 49 N -6.31 3.87 -0.04 6.12 1.43 0.52 -4.92 118.68 119.34 1myf s LEU 49 Ca -0.00 -0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 52.18 1myf s LEU 49 Cb 0.10 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1myf s LEU 49 CO 0.53 -1.59 0.30 0.11 0.23 0.00 0.00 176.35 175.93 1myf h LYS 50 N 9.73 -0.18 -7.00 1.70 1.57 -1.83 -3.43 116.57 117.12 1myf h LYS 50 Ca -0.23 0.01 -0.48 0.00 -1.87 0.00 0.00 60.65 58.09 1myf h LYS 50 Cb 1.06 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.41 1myf h LYS 50 CO 1.23 -0.12 0.24 -0.08 -0.57 0.00 0.00 179.45 180.15 1myf s THR 51 N -2.13 4.64 0.30 -0.16 -1.32 -1.26 -4.94 115.64 110.77 1myf s THR 51 Ca -0.03 0.96 0.05 0.00 -1.21 0.00 0.00 61.69 61.47 1myf s THR 51 Cb 0.00 -3.71 0.31 0.00 -1.51 0.00 0.00 72.50 67.59 1myf s THR 51 CO 0.08 -0.56 1.66 -0.08 -2.21 0.00 0.00 174.62 173.52 1myf h GLU 52 N 1.22 0.28 -0.78 7.08 4.81 -2.00 0.70 114.58 125.89 1myf h GLU 52 Ca -0.47 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1myf h GLU 52 Cb 1.18 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1myf h GLU 52 CO 0.63 0.19 0.51 0.00 -0.73 0.00 0.00 179.01 179.61 1myf h ALA 53 N 1.78 1.63 0.22 2.92 0.00 -1.98 0.93 119.26 124.76 1myf h ALA 53 Ca 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 1myf h ALA 53 Cb 1.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1myf h ALA 53 CO -0.61 0.25 -0.11 0.93 0.00 0.00 0.00 179.25 179.72 1myf h GLU 54 N 0.85 -0.28 -0.55 0.00 5.08 -1.23 -0.01 114.58 118.43 1myf h GLU 54 Ca 0.34 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1myf h GLU 54 Cb 0.22 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1myf h GLU 54 CO -0.12 0.08 0.35 0.00 -1.00 0.00 0.00 179.01 178.32 1myf h MET 55 N -0.72 0.68 -0.59 2.33 -0.00 -1.33 0.16 114.93 115.47 1myf h MET 55 Ca -0.03 -0.04 0.06 0.00 -0.00 0.00 0.00 59.70 59.69 1myf h MET 55 Cb 0.49 -0.15 -0.06 0.00 -0.00 0.00 0.00 31.60 31.88 1myf h MET 55 CO 0.05 0.45 0.29 -0.22 -0.00 0.00 0.00 176.91 177.48 1myf h LYS 56 N 0.70 0.52 0.00 -0.10 3.11 -0.81 -2.11 116.57 117.88 1myf h LYS 56 Ca 0.21 -0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 57.92 1myf h LYS 56 Cb -0.03 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.06 1myf h LYS 56 CO -0.07 0.34 -0.46 0.00 -2.81 0.00 0.00 179.45 176.45 1myf h ALA 57 N 1.34 0.91 -1.73 5.00 0.00 0.12 -3.44 119.26 121.45 1myf h ALA 57 Ca 0.27 -0.42 -0.54 0.00 0.00 0.00 0.00 54.91 54.22 1myf h ALA 57 Cb 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1myf h ALA 57 CO -0.21 0.57 1.38 -1.54 0.00 0.00 0.00 179.25 179.46 1myf s SER 58 N -6.51 5.44 0.27 0.00 1.04 0.45 -4.84 113.70 109.55 1myf s SER 58 Ca 0.01 1.05 -0.05 0.00 0.48 0.00 0.00 55.95 57.44 1myf s SER 58 Cb 0.11 -2.52 0.53 0.00 0.10 0.00 0.00 66.02 64.24 1myf s SER 58 CO 0.71 -2.11 1.61 1.05 0.98 0.00 0.00 173.24 175.48 1myf h GLU 59 N 14.75 0.06 -0.75 4.02 9.09 -1.86 0.23 114.58 140.13 1myf h GLU 59 Ca -0.31 -0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.12 1myf h GLU 59 Cb 1.19 -0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 28.24 1myf h GLU 59 CO 1.10 0.04 0.49 0.22 0.05 0.00 0.00 179.01 180.91 1myf h ASP 60 N 0.06 0.82 -0.37 3.06 3.58 -1.95 0.24 116.42 121.87 1myf h ASP 60 Ca 0.47 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.82 1myf h ASP 60 Cb 0.87 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1myf h ASP 60 CO -0.78 0.58 -0.13 0.25 -2.88 0.00 0.00 179.24 176.28 1myf h LEU 61 N 0.96 0.76 -0.36 2.28 7.12 -0.86 0.34 115.31 125.55 1myf h LEU 61 Ca 0.29 -0.38 -0.00 0.00 0.13 0.00 0.00 57.88 57.91 1myf h LEU 61 Cb -0.03 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 39.87 1myf h LEU 61 CO -0.07 0.97 0.21 0.50 -0.13 0.00 0.00 178.44 179.91 1myf h LYS 62 N 0.54 0.49 -0.93 1.25 3.64 -0.40 0.13 116.57 121.29 1myf h LYS 62 Ca 0.09 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1myf h LYS 62 Cb 0.66 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 1myf h LYS 62 CO 0.05 0.39 0.61 -0.22 -2.27 0.00 0.00 179.45 178.00 1myf h LYS 63 N 0.46 1.14 -0.03 1.90 3.11 -0.43 -0.88 116.57 121.84 1myf h LYS 63 Ca 0.13 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1myf h LYS 63 Cb 0.03 -0.26 -0.00 0.00 -1.00 0.00 0.00 32.23 31.00 1myf h LYS 63 CO -0.02 0.75 0.01 1.25 -2.81 0.00 0.00 179.45 178.63 1myf h HIS 64 N 1.17 0.04 -0.86 1.91 2.76 0.11 -0.33 115.15 119.96 1myf h HIS 64 Ca 0.37 -0.00 0.20 0.00 -2.20 0.00 0.00 60.37 58.74 1myf h HIS 64 Cb 0.01 -0.01 -0.12 0.00 1.55 0.00 0.00 27.41 28.84 1myf h HIS 64 CO -0.00 0.18 0.35 0.78 -1.30 0.00 0.00 177.93 177.94 1myf h GLY 65 N -0.12 1.41 0.95 5.26 0.00 0.18 0.32 103.07 111.07 1myf h GLY 65 Ca 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1myf h GLY 65 CO -0.00 -0.23 -0.28 -2.08 0.00 0.00 0.00 176.54 173.95 1myf h VAL 66 N 0.39 0.41 -0.45 4.60 2.07 -0.93 0.97 116.25 123.31 1myf h VAL 66 Ca 0.52 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 68.04 1myf h VAL 66 Cb 0.95 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 31.08 1myf h VAL 66 CO -0.51 0.01 -0.24 0.74 0.02 0.00 0.00 177.57 177.59 1myf h THR 67 N -0.84 0.34 0.50 2.57 2.02 0.85 0.34 112.91 118.68 1myf h THR 67 Ca -0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1myf h THR 67 Cb 0.62 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1myf h THR 67 CO 0.13 0.00 -0.24 0.58 0.37 0.00 0.00 175.52 176.36 1myf h VAL 68 N -0.14 0.49 -0.05 3.16 2.07 -0.36 0.01 116.25 121.43 1myf h VAL 68 Ca 0.21 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1myf h VAL 68 Cb 0.47 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1myf h VAL 68 CO -0.54 0.03 -0.31 -0.07 0.02 0.00 0.00 177.57 176.70 1myf h LEU 69 N -0.78 0.09 -0.56 2.57 3.38 -0.58 -0.65 115.31 118.78 1myf h LEU 69 Ca -0.07 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1myf h LEU 69 Cb 0.56 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1myf h LEU 69 CO 0.11 0.40 -0.26 0.74 0.09 0.00 0.00 178.44 179.52 1myf h THR 70 N 0.08 1.27 0.68 0.22 2.02 -0.08 0.48 112.91 117.58 1myf h THR 70 Ca 0.01 -1.41 -0.03 0.00 0.77 0.00 0.00 66.41 65.74 1myf h THR 70 Cb 0.59 1.23 0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1myf h THR 70 CO 0.04 0.48 -0.33 0.00 0.37 0.00 0.00 175.52 176.08 1myf h ALA 71 N 0.95 -0.92 -0.59 6.16 0.00 -0.45 0.17 119.26 124.57 1myf h ALA 71 Ca 0.09 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1myf h ALA 71 Cb 0.81 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1myf h ALA 71 CO 0.07 -0.88 0.25 1.25 0.00 0.00 0.00 179.25 179.95 1myf h LEU 72 N -1.19 0.30 -0.57 0.00 5.85 -1.16 -1.29 115.31 117.25 1myf h LEU 72 Ca -0.09 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1myf h LEU 72 Cb 0.72 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 1myf h LEU 72 CO 0.15 0.19 0.26 1.23 -0.34 0.00 0.00 178.44 179.93 1myf h GLY 73 N 0.46 0.81 1.03 3.75 0.00 -0.04 0.98 103.07 110.06 1myf h GLY 73 Ca 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1myf h GLY 73 CO -0.26 0.06 0.55 0.00 0.00 0.00 0.00 176.54 176.89 1myf h ALA 74 N 1.35 1.21 0.37 3.60 0.00 0.19 0.33 119.26 126.31 1myf h ALA 74 Ca 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1myf h ALA 74 Cb 0.25 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1myf h ALA 74 CO -0.23 0.67 -0.18 0.82 0.00 0.00 0.00 179.25 180.33 1myf h ILE 75 N 1.30 0.64 -0.39 0.00 5.03 -0.01 -1.30 117.51 122.78 1myf h ILE 75 Ca 0.33 -0.02 0.07 0.00 -0.12 0.00 0.00 64.86 65.12 1myf h ILE 75 Cb -0.04 0.65 -0.06 0.00 -3.03 0.00 0.00 36.82 34.34 1myf h ILE 75 CO -0.06 0.00 0.01 -0.07 -0.68 0.00 0.00 178.15 177.35 1myf h LEU 76 N -0.51 -0.14 -0.63 1.44 3.38 -0.46 -2.62 115.31 115.76 1myf h LEU 76 Ca -0.05 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1myf h LEU 76 Cb 0.39 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1myf h LEU 76 CO 0.08 -0.03 0.33 0.50 0.09 0.00 0.00 178.44 179.41 1myf h LYS 77 N 0.11 0.59 0.00 1.13 3.64 -0.11 0.73 116.57 122.65 1myf h LYS 77 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1myf h LYS 77 Cb 0.26 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1myf h LYS 77 CO -0.31 0.39 0.00 1.63 -2.27 0.00 0.00 179.45 178.89 1myf n LYS 78 N -4.84 0.66 -4.04 1.90 5.02 -0.51 -4.91 118.16 111.44 1myf n LYS 78 Ca 0.08 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.02 1myf n LYS 78 Cb 0.19 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 1myf n LYS 78 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1myf n LYS 79 N -0.78 -0.58 -0.75 1.97 2.85 0.25 -0.45 118.16 120.67 1myf n LYS 79 Ca 0.09 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1myf n LYS 79 Cb 0.04 -2.37 0.00 0.00 -0.65 0.00 0.00 35.03 32.06 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 -2.10 0.85 2.78 2.58 0.00 -1.26 -4.94 105.19 103.10 1myf n GLY 80 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.07 3.73 0.00 1.61 8.25 0.41 -4.88 115.22 122.27 1myf n HIS 81 Ca 0.00 -3.56 0.00 0.00 -0.26 0.00 0.00 57.72 53.90 1myf n HIS 81 Cb 0.00 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.66 1myf n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1myf n HIS 82 N -0.32 0.00 0.00 4.41 1.44 -1.26 -4.88 115.22 114.62 1myf n HIS 82 Ca 0.36 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.07 1myf n HIS 82 Cb 0.45 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 1myf n HIS 82 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1myf n GLU 83 N 0.00 0.00 0.27 -1.40 4.71 -1.26 -4.61 120.64 118.35 1myf n GLU 83 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.00 1myf n GLU 83 Cb 0.00 -0.88 -0.08 0.00 -1.01 0.00 0.00 31.44 29.46 1myf n GLU 83 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1myf h ALA 84 N 0.00 -0.68 -3.00 0.62 0.00 -2.02 -3.43 119.26 110.75 1myf h ALA 84 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1myf h ALA 84 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1myf h ALA 84 CO 0.00 -0.80 0.00 -0.85 0.00 0.00 0.00 179.25 177.60 1myf n GLU 85 N -5.32 2.55 0.00 0.00 0.00 -1.26 -4.54 120.64 112.07 1myf n GLU 85 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.05 1myf n GLU 85 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.75 1myf n GLU 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1myf n LEU 86 N 0.00 0.00 -0.32 -1.84 7.94 -1.26 -4.72 117.00 116.80 1myf n LEU 86 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1myf n LEU 86 Cb 0.00 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.87 1myf n LEU 86 CO 0.00 0.00 0.38 0.29 -1.11 0.00 0.00 177.39 176.95 1myf n LYS 87 N 0.00 -0.34 0.02 1.96 5.02 -1.26 -0.34 118.16 123.22 1myf n LYS 87 Ca 0.00 1.17 -0.01 0.00 -2.02 0.00 0.00 58.31 57.46 1myf n LYS 87 Cb 0.00 -1.72 0.29 0.00 -0.02 0.00 0.00 35.03 33.57 1myf n LYS 87 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1myf h PRO 88 N 0.00 0.47 0.29 1.97 0.13 -1.91 0.27 132.00 133.21 1myf h PRO 88 Ca 0.12 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1myf h PRO 88 Cb 0.31 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1myf h PRO 88 CO -0.72 0.56 -0.14 1.25 -0.23 0.00 0.00 178.00 178.72 1myf h LEU 89 N 0.44 -0.33 -0.16 1.56 6.46 -1.08 0.66 115.31 122.86 1myf h LEU 89 Ca 0.09 -0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.79 1myf h LEU 89 Cb 0.42 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.38 1myf h LEU 89 CO 0.02 -0.08 -0.19 0.00 -0.62 0.00 0.00 178.44 177.56 1myf h ALA 90 N 0.09 -0.11 -1.00 1.25 0.00 -0.52 0.33 119.26 119.31 1myf h ALA 90 Ca -0.04 0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1myf h ALA 90 Cb 0.41 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1myf h ALA 90 CO 0.06 -0.64 0.65 1.96 0.00 0.00 0.00 179.25 181.28 1myf h GLN 91 N -0.23 1.15 0.78 0.00 1.08 -0.84 0.41 115.11 117.45 1myf h GLN 91 Ca 0.11 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1myf h GLN 91 Cb 0.39 -0.26 0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1myf h GLN 91 CO -0.30 0.76 -0.38 1.03 -0.95 0.00 0.00 178.83 178.99 1myf h SER 92 N 1.18 -0.89 -0.47 1.46 0.87 -0.03 0.14 113.55 115.81 1myf h SER 92 Ca 0.43 0.02 0.14 0.00 -1.23 0.00 0.00 61.79 61.14 1myf h SER 92 Cb 0.15 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1myf h SER 92 CO -0.17 -0.57 0.37 0.45 -0.53 0.00 0.00 176.83 176.39 1myf h HIS 93 N -1.18 0.00 0.06 2.24 3.86 -0.55 0.15 115.15 119.74 1myf h HIS 93 Ca -0.11 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1myf h HIS 93 Cb 0.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.29 1myf h HIS 93 CO -0.00 0.00 -0.03 0.00 0.86 0.00 0.00 177.93 178.76 1myf h ALA 94 N 1.69 -0.20 0.11 2.45 0.00 0.12 -1.96 119.26 121.47 1myf h ALA 94 Ca 0.22 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.81 1myf h ALA 94 Cb 0.97 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1myf h ALA 94 CO -0.00 -0.20 -1.55 1.79 0.00 0.00 0.00 179.25 179.29 1myf h THR 95 N -0.33 1.13 0.00 0.00 1.35 -0.65 0.67 112.91 115.08 1myf h THR 95 Ca -0.01 -2.78 -0.20 0.00 -0.55 0.00 0.00 66.41 62.87 1myf h THR 95 Cb 0.06 2.73 -0.03 0.00 -1.73 0.00 0.00 68.15 69.18 1myf h THR 95 CO 0.01 0.81 -1.36 0.29 -0.25 0.00 0.00 175.52 175.02 1myf n LYS 96 N -3.43 0.54 0.16 4.72 5.02 0.41 -4.51 118.16 121.06 1myf n LYS 96 Ca -0.17 0.43 0.04 0.00 -2.02 0.00 0.00 58.31 56.59 1myf n LYS 96 Cb 1.04 -1.62 0.16 0.00 -0.02 0.00 0.00 35.03 34.59 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 0.00 2.13 3.86 -1.36 -3.49 115.15 115.30 1myf h HIS 97 Ca -0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1myf h HIS 97 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1myf h HIS 97 CO -0.11 0.45 0.00 1.17 0.86 0.00 0.00 177.93 180.30 1myf n LYS 98 N -3.33 0.00 0.00 2.45 3.00 -1.13 -4.97 118.16 114.18 1myf n LYS 98 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1myf n LYS 98 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.67 1myf n LYS 98 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1myf n ILE 99 N 0.20 0.00 -0.07 3.15 -5.35 0.23 -4.90 119.36 112.62 1myf n ILE 99 Ca 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.46 1myf n ILE 99 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 37.89 1myf n ILE 99 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1myf n PRO 100 N 0.00 0.00 0.29 6.28 -0.02 -1.26 -4.73 135.00 135.56 1myf n PRO 100 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.65 1myf n PRO 100 Cb 0.00 -0.07 0.82 0.00 -0.02 0.00 0.00 33.50 34.24 1myf n PRO 100 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1myf h ILE 101 N 0.37 0.08 -1.00 4.25 2.04 -1.96 -2.15 117.51 119.13 1myf h ILE 101 Ca -0.00 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.08 1myf h ILE 101 Cb 0.06 0.68 -0.11 0.00 -0.74 0.00 0.00 36.82 36.71 1myf h ILE 101 CO 0.07 0.00 0.61 0.11 0.00 0.00 0.00 178.15 178.93 1myf h LYS 102 N 0.00 0.65 -0.06 2.37 1.79 -2.00 0.46 116.57 119.78 1myf h LYS 102 Ca 0.03 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1myf h LYS 102 Cb 0.70 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1myf h LYS 102 CO -0.00 0.43 -0.30 1.88 -1.08 0.00 0.00 179.45 180.37 1myf h TYR 103 N 0.67 0.12 -0.00 -1.35 0.05 -1.76 -0.83 116.97 113.87 1myf h TYR 103 Ca 0.61 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 59.29 1myf h TYR 103 Cb 1.07 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 1myf h TYR 103 CO -0.00 0.41 -0.35 -0.07 -1.05 0.00 0.00 178.16 177.09 1myf h LEU 104 N 0.10 0.01 -0.73 3.88 3.38 -0.31 0.31 115.31 121.94 1myf h LEU 104 Ca 0.01 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1myf h LEU 104 Cb 0.59 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1myf h LEU 104 CO 0.04 0.36 0.21 -0.33 0.09 0.00 0.00 178.44 178.81 1myf h GLU 105 N 0.01 1.15 -0.34 1.13 4.39 -0.28 0.83 114.58 121.47 1myf h GLU 105 Ca -0.00 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 1myf h GLU 105 Cb 0.63 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1myf h GLU 105 CO 0.05 0.99 0.08 0.74 -1.16 0.00 0.00 179.01 179.71 1myf h PHE 106 N 1.10 0.57 -0.16 4.33 0.04 -0.27 -0.76 116.94 121.79 1myf h PHE 106 Ca 0.23 -0.07 -0.13 0.00 2.80 0.00 0.00 57.97 60.81 1myf h PHE 106 Cb 0.33 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1myf h PHE 106 CO 0.03 0.58 -0.45 0.97 -0.60 0.00 0.00 178.31 178.84 1myf h ILE 107 N 0.39 1.32 -0.36 -0.55 2.10 -0.73 0.51 117.51 120.19 1myf h ILE 107 Ca 0.11 -1.63 -0.04 0.00 1.08 0.00 0.00 64.86 64.38 1myf h ILE 107 Cb 0.30 1.69 -0.01 0.00 -1.09 0.00 0.00 36.82 37.70 1myf h ILE 107 CO 0.00 0.50 0.08 0.77 -1.08 0.00 0.00 178.15 178.42 1myf h SER 108 N 0.31 0.55 -0.38 2.19 4.64 -0.80 0.91 113.55 120.97 1myf h SER 108 Ca 0.02 -0.23 0.05 0.00 -0.47 0.00 0.00 61.79 61.16 1myf h SER 108 Cb 0.91 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.81 1myf h SER 108 CO 0.08 0.64 0.09 -0.08 -0.87 0.00 0.00 176.83 176.68 1myf h GLU 109 N 0.43 0.21 -0.06 4.77 4.57 -0.95 0.17 114.58 123.72 1myf h GLU 109 Ca 0.11 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1myf h GLU 109 Cb 0.31 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 1myf h GLU 109 CO 0.00 0.14 -0.27 0.00 -1.18 0.00 0.00 179.01 177.70 1myf h ALA 110 N 1.27 -0.32 -0.16 2.92 0.00 -0.46 0.16 119.26 122.68 1myf h ALA 110 Ca 0.18 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1myf h ALA 110 Cb 0.20 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1myf h ALA 110 CO -0.22 -0.75 -0.33 0.82 0.00 0.00 0.00 179.25 178.77 1myf h ILE 111 N -0.37 0.27 -0.76 0.00 2.04 -0.30 0.20 117.51 118.59 1myf h ILE 111 Ca 0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.01 1myf h ILE 111 Cb 0.49 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1myf h ILE 111 CO -0.27 0.00 0.43 0.40 0.00 0.00 0.00 178.15 178.71 1myf h ILE 112 N -0.39 0.96 -0.51 -0.67 1.08 -0.59 -0.57 117.51 116.82 1myf h ILE 112 Ca 0.10 -0.26 -0.04 0.00 -0.39 0.00 0.00 64.86 64.27 1myf h ILE 112 Cb 0.55 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 1myf h ILE 112 CO -0.37 0.14 0.16 -0.74 -0.69 0.00 0.00 178.15 176.65 1myf h HIS 113 N 0.77 0.81 -0.27 1.37 2.76 0.91 0.67 115.15 122.17 1myf h HIS 113 Ca 0.35 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.44 1myf h HIS 113 Cb 0.25 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1myf h HIS 113 CO -0.07 0.70 0.17 0.28 -1.30 0.00 0.00 177.93 177.72 1myf h VAL 114 N 0.69 1.06 -0.25 5.26 2.07 0.25 0.17 116.25 125.49 1myf h VAL 114 Ca 0.16 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1myf h VAL 114 Cb 0.27 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1myf h VAL 114 CO -0.01 0.06 -0.02 -0.07 0.02 0.00 0.00 177.57 177.56 1myf h LEU 115 N 0.35 -0.14 -0.63 2.57 3.38 -0.84 0.25 115.31 120.24 1myf h LEU 115 Ca 0.10 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1myf h LEU 115 Cb -0.03 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 1myf h LEU 115 CO -0.03 -0.04 0.28 -0.74 0.09 0.00 0.00 178.44 178.00 1myf h HIS 116 N 0.05 0.50 -0.00 1.13 2.76 -0.47 0.14 115.15 119.25 1myf h HIS 116 Ca 0.12 0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 58.11 1myf h HIS 116 Cb 0.16 -0.13 0.02 0.00 1.55 0.00 0.00 27.41 29.01 1myf h HIS 116 CO -0.22 0.17 -0.79 0.77 -1.30 0.00 0.00 177.93 176.56 1myf h SER 117 N 0.50 0.70 0.00 3.26 0.02 0.45 -3.33 113.55 115.15 1myf h SER 117 Ca 0.31 -0.75 -0.09 0.00 -0.84 0.00 0.00 61.79 60.42 1myf h SER 117 Cb 0.34 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1myf h SER 117 CO -0.27 1.36 -1.88 0.54 -1.14 0.00 0.00 176.83 175.44 1myf n ARG 118 N -4.06 0.80 -2.30 3.45 5.12 0.76 -4.65 116.66 115.78 1myf n ARG 118 Ca -0.11 -0.11 -0.14 0.00 -1.93 0.00 0.00 57.85 55.56 1myf n ARG 118 Cb 0.76 -1.41 0.03 0.00 -1.16 0.00 0.00 32.46 30.69 1myf n ARG 118 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1myf n HIS 119 N -2.25 2.12 -0.97 -1.55 8.25 0.48 -5.05 115.22 116.26 1myf n HIS 119 Ca -0.10 -2.16 -0.30 0.00 -0.26 0.00 0.00 57.72 54.89 1myf n HIS 119 Cb 0.63 -0.30 0.16 0.00 1.12 0.00 0.00 29.99 31.60 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 -3.64 0.98 0.00 -0.41 0.04 -1.21 0.08 135.00 130.84 1myf s PRO 120 Ca 0.42 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1myf s PRO 120 Cb 0.38 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 33.16 1myf s PRO 120 CO 0.01 -2.50 0.00 0.41 0.04 0.00 0.00 177.00 174.95 1myf n GLY 121 N -0.47 1.51 0.15 0.56 0.00 -1.26 -4.15 105.19 101.52 1myf n GLY 121 Ca 0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 0.49 -0.45 1.61 3.58 -1.98 -3.31 116.42 116.36 1myf h ASP 122 Ca 0.00 -0.60 -0.71 0.00 0.42 0.00 0.00 57.03 56.13 1myf h ASP 122 Cb 0.00 -0.14 -0.07 0.00 1.72 0.00 0.00 39.33 40.84 1myf h ASP 122 CO 0.00 1.01 2.73 0.33 -2.88 0.00 0.00 179.24 180.43 1myf n PHE 123 N -4.38 3.70 -2.06 0.28 7.35 0.11 -4.79 117.46 117.67 1myf n PHE 123 Ca -0.07 -2.94 -0.21 0.00 -0.76 0.00 0.00 57.45 53.47 1myf n PHE 123 Cb 0.50 -2.46 0.13 0.00 0.35 0.00 0.00 39.48 38.00 1myf n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1myf n GLY 124 N 4.12 -0.54 0.21 7.13 0.00 -1.25 -4.72 105.19 110.13 1myf n GLY 124 Ca 0.49 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.66 1myf n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myf h ALA 125 N -1.31 0.51 -0.21 4.61 0.00 -1.94 0.82 119.26 121.75 1myf h ALA 125 Ca -0.30 0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1myf h ALA 125 Cb 0.93 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1myf h ALA 125 CO 0.25 -0.38 -0.03 -0.44 0.00 0.00 0.00 179.25 178.66 1myf h ASP 126 N 0.13 -0.14 -0.13 0.00 5.19 -1.96 0.60 116.42 120.13 1myf h ASP 126 Ca 0.26 0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.75 1myf h ASP 126 Cb 0.40 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 1myf h ASP 126 CO -0.42 -0.04 -0.00 0.00 -3.12 0.00 0.00 179.24 175.65 1myf h ALA 127 N 1.20 0.10 -0.38 3.45 0.00 -1.61 -0.13 119.26 121.88 1myf h ALA 127 Ca 0.10 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.13 1myf h ALA 127 Cb 0.14 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1myf h ALA 127 CO -0.19 -0.46 -0.14 0.37 0.00 0.00 0.00 179.25 178.83 1myf h GLN 128 N 0.04 -0.06 -0.24 0.00 4.15 -0.19 0.16 115.11 118.96 1myf h GLN 128 Ca 0.06 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.51 1myf h GLN 128 Cb 0.07 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1myf h GLN 128 CO -0.10 -0.04 0.07 0.78 -1.93 0.00 0.00 178.83 177.61 1myf h GLY 129 N -0.06 0.29 0.97 2.39 0.00 -0.51 0.13 103.07 106.28 1myf h GLY 129 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1myf h GLY 129 CO -0.43 0.02 0.19 0.00 0.00 0.00 0.00 176.54 176.32 1myf h ALA 130 N 1.16 0.42 -0.20 3.60 0.00 -0.09 0.93 119.26 125.07 1myf h ALA 130 Ca 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1myf h ALA 130 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1myf h ALA 130 CO -0.12 -0.06 0.06 1.98 0.00 0.00 0.00 179.25 181.11 1myf h MET 131 N 0.42 0.32 -0.27 0.00 -1.53 -0.55 -0.73 114.93 112.58 1myf h MET 131 Ca 0.12 -0.07 0.05 0.00 -3.44 0.00 0.00 59.70 56.36 1myf h MET 131 Cb 0.04 -0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 31.00 1myf h MET 131 CO -0.02 0.43 -0.03 -0.97 0.14 0.00 0.00 176.91 176.45 1myf h ASN 132 N 0.15 -0.18 -0.34 1.39 -0.73 -0.59 0.68 115.58 115.96 1myf h ASN 132 Ca 0.06 0.07 0.07 0.00 1.87 0.00 0.00 56.30 58.38 1myf h ASN 132 Cb 0.25 0.14 -0.08 0.00 0.27 0.00 0.00 38.32 38.90 1myf h ASN 132 CO -0.00 -0.05 -0.18 0.11 -0.37 0.00 0.00 177.43 176.94 1myf h LYS 133 N 0.04 -0.12 -0.34 6.67 1.79 -0.67 0.20 116.57 124.14 1myf h LYS 133 Ca 0.13 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.66 1myf h LYS 133 Cb 0.19 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1myf h LYS 133 CO -0.25 -0.08 0.07 0.00 -1.08 0.00 0.00 179.45 178.11 1myf h ALA 134 N 1.10 0.36 -0.78 3.86 0.00 -0.09 0.13 119.26 123.85 1myf h ALA 134 Ca 0.17 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1myf h ALA 134 Cb 0.39 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1myf h ALA 134 CO -0.42 -0.34 0.35 -0.07 0.00 0.00 0.00 179.25 178.77 1myf h LEU 135 N 0.19 1.04 -0.24 0.00 -0.00 -0.42 0.59 115.31 116.47 1myf h LEU 135 Ca 0.16 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1myf h LEU 135 Cb 0.18 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.56 1myf h LEU 135 CO -0.21 0.90 0.16 -0.33 -0.00 0.00 0.00 178.44 178.96 1myf h GLU 136 N 1.11 0.32 -0.36 1.13 4.39 0.12 0.71 114.58 122.00 1myf h GLU 136 Ca 0.26 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.95 1myf h GLU 136 Cb 0.16 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1myf h GLU 136 CO -0.03 0.22 0.22 1.25 -1.16 0.00 0.00 179.01 179.51 1myf h LEU 137 N 0.32 0.36 0.35 1.33 6.46 -0.49 0.19 115.31 123.83 1myf h LEU 137 Ca 0.09 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1myf h LEU 137 Cb -0.02 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 1myf h LEU 137 CO -0.02 0.26 -0.24 0.15 -0.62 0.00 0.00 178.44 177.97 1myf h PHE 138 N 0.44 -0.64 -0.64 1.25 3.57 -0.14 0.13 116.94 120.91 1myf h PHE 138 Ca 0.14 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1myf h PHE 138 Cb -0.01 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1myf h PHE 138 CO -0.07 -0.37 0.37 -0.09 -2.23 0.00 0.00 178.31 175.93 1myf h ARG 139 N -0.58 0.69 -0.86 1.11 1.12 -0.74 -0.99 114.38 114.13 1myf h ARG 139 Ca -0.03 -0.04 0.02 0.00 -1.11 0.00 0.00 59.98 58.82 1myf h ARG 139 Cb 0.50 -0.16 -0.05 0.00 -0.01 0.00 0.00 29.97 30.25 1myf h ARG 139 CO 0.02 0.46 0.57 -0.22 -3.11 0.00 0.00 179.97 177.68 1myf h LYS 140 N 0.72 1.08 -0.04 0.20 3.64 -0.01 0.28 116.57 122.43 1myf h LYS 140 Ca 0.27 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1myf h LYS 140 Cb 0.10 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1myf h LYS 140 CO -0.14 0.71 0.00 -0.44 -2.27 0.00 0.00 179.45 177.31 1myf h ASP 141 N 1.11 0.06 -0.86 4.20 3.32 0.43 -1.88 116.42 122.80 1myf h ASP 141 Ca 0.33 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 57.12 1myf h ASP 141 Cb -0.04 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 1myf h ASP 141 CO -0.09 0.33 0.56 0.40 -1.72 0.00 0.00 179.24 178.73 1myf h ILE 142 N -0.21 1.16 -0.93 0.35 2.04 -0.59 0.54 117.51 119.86 1myf h ILE 142 Ca 0.01 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.54 1myf h ILE 142 Cb 0.30 -0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 1myf h ILE 142 CO 0.00 0.20 0.60 0.00 0.00 0.00 0.00 178.15 178.95 1myf h ALA 143 N 1.49 1.25 -0.17 1.87 0.00 -0.16 0.43 119.26 123.96 1myf h ALA 143 Ca 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1myf h ALA 143 Cb -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1myf h ALA 143 CO -0.09 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 1myf h ALA 144 N 1.39 0.23 0.00 0.00 0.00 -0.34 -1.66 119.26 118.89 1myf h ALA 144 Ca 0.38 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1myf h ALA 144 Cb 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1myf h ALA 144 CO -0.13 -0.04 -0.11 0.87 0.00 0.00 0.00 179.25 179.84 1myf h LYS 145 N 0.05 0.00 0.00 0.00 1.79 0.33 0.10 116.57 118.84 1myf h LYS 145 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1myf h LYS 145 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1myf h LYS 145 CO 0.01 0.11 0.00 0.66 -1.08 0.00 0.00 179.45 179.15 1myf n TYR 146 N -4.33 0.00 -4.05 -1.35 4.02 0.14 -4.45 117.16 107.13 1myf n TYR 146 Ca -0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.54 1myf n TYR 146 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 1myf n TYR 146 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1myf n LYS 147 N -0.77 -4.41 -3.81 -0.72 4.81 0.35 0.69 118.16 114.30 1myf n LYS 147 Ca 0.05 0.49 -0.37 0.00 -0.87 0.00 0.00 58.31 57.61 1myf n LYS 147 Cb 0.02 -5.29 0.04 0.00 0.02 0.00 0.00 35.03 29.82 1myf n LYS 147 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1myf n GLU 148 N -4.54 -0.88 -2.52 1.64 -0.58 -0.64 -1.23 120.64 111.89 1myf n GLU 148 Ca 0.04 0.33 -0.20 0.00 -0.42 0.00 0.00 57.16 56.91 1myf n GLU 148 Cb 0.52 -3.58 0.00 0.00 -0.57 0.00 0.00 31.44 27.81 1myf n GLU 148 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1myf n LEU 149 N -4.48 -2.08 -0.07 -4.62 4.77 0.99 -4.87 117.00 106.63 1myf n LEU 149 Ca -0.10 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.71 1myf n LEU 149 Cb 0.58 -2.83 -0.03 0.00 -2.33 0.00 0.00 43.42 38.80 1myf n LEU 149 CO 0.70 -0.11 -0.66 0.61 -1.33 0.00 0.00 177.39 176.60 1myf n GLY 150 N -1.13 -0.44 4.99 -0.72 0.00 0.20 -4.99 105.19 103.10 1myf n GLY 150 Ca -0.21 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1myf n GLY 150 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1myf n TYR 151 N -4.26 0.00 -0.24 1.61 4.11 0.22 -4.18 117.16 114.42 1myf n TYR 151 Ca -0.16 0.00 0.03 0.00 -0.00 0.00 0.00 57.90 57.76 1myf n TYR 151 Cb 0.48 0.00 0.26 0.00 -0.00 0.00 0.00 39.34 40.09 1myf n TYR 151 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.86 176.30 1myf h GLN 152 N 0.00 0.95 0.00 -3.48 3.07 -1.91 -3.45 115.11 110.29 1myf h GLN 152 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1myf h GLN 152 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 27.35 1myf h GLN 152 CO 0.00 0.63 0.00 0.41 0.09 0.00 0.00 178.83 179.96