#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myf n LEU 2 N 0.00 1.33 -4.59 1.34 7.94 -1.26 -5.04 117.00 116.72 1myf n LEU 2 Ca 0.00 -4.99 -0.30 0.00 -1.11 0.00 0.00 56.01 49.61 1myf n LEU 2 Cb 0.00 0.34 0.24 0.00 0.53 0.00 0.00 43.42 44.53 1myf n LEU 2 CO 0.00 2.15 0.62 -0.44 -1.11 0.00 0.00 177.39 178.61 1myf s SER 3 N -1.92 0.88 0.26 1.96 0.01 -1.26 -4.67 113.70 108.97 1myf s SER 3 Ca 0.38 0.64 -0.01 0.00 1.31 0.00 0.00 55.95 58.27 1myf s SER 3 Cb 0.22 -0.89 0.57 0.00 0.21 0.00 0.00 66.02 66.13 1myf s SER 3 CO -0.09 -4.15 1.69 -0.33 0.41 0.00 0.00 173.24 170.77 1myf h GLU 4 N -2.60 0.31 -0.24 12.44 4.39 -1.98 -1.56 114.58 125.34 1myf h GLU 4 Ca -0.45 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.27 1myf h GLU 4 Cb 1.29 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.84 1myf h GLU 4 CO 0.34 0.20 -0.02 0.78 -1.16 0.00 0.00 179.01 179.15 1myf h GLY 5 N 0.31 0.21 0.96 -3.84 0.00 -1.99 0.23 103.07 98.96 1myf h GLY 5 Ca 0.48 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.86 1myf h GLY 5 CO -0.53 -0.06 0.36 0.83 0.00 0.00 0.00 176.54 177.14 1myf h GLU 6 N 0.05 0.70 -0.75 4.80 3.07 -1.66 0.01 114.58 120.80 1myf h GLU 6 Ca 0.11 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1myf h GLU 6 Cb 0.15 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 1myf h GLU 6 CO -0.21 0.47 0.49 -1.49 -1.40 0.00 0.00 179.01 176.86 1myf h TRP 7 N 0.73 0.96 -0.35 4.33 4.06 -0.67 -0.53 115.95 124.47 1myf h TRP 7 Ca 0.21 0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.21 1myf h TRP 7 Cb -0.05 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 27.75 1myf h TRP 7 CO -0.04 0.62 0.15 0.37 -3.56 0.00 0.00 178.44 175.97 1myf h GLN 8 N 1.02 0.31 -0.03 0.49 4.15 0.45 0.14 115.11 121.64 1myf h GLN 8 Ca 0.27 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.70 1myf h GLN 8 Cb -0.09 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 1myf h GLN 8 CO -0.06 0.20 -0.14 -0.07 -1.93 0.00 0.00 178.83 176.84 1myf h LEU 9 N 0.32 -0.40 0.05 -2.39 3.38 -0.69 0.31 115.31 115.89 1myf h LEU 9 Ca 0.16 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1myf h LEU 9 Cb 0.10 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1myf h LEU 9 CO -0.13 -0.19 -0.31 0.58 0.09 0.00 0.00 178.44 178.48 1myf h VAL 10 N -0.22 0.34 -0.81 1.22 2.07 -0.44 0.44 116.25 118.86 1myf h VAL 10 Ca 0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 1myf h VAL 10 Cb 0.29 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1myf h VAL 10 CO -0.15 0.00 0.49 -0.07 0.02 0.00 0.00 177.57 177.85 1myf h LEU 11 N -0.49 0.75 0.59 2.57 3.38 -0.58 0.24 115.31 121.78 1myf h LEU 11 Ca 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1myf h LEU 11 Cb 0.55 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.17 1myf h LEU 11 CO -0.22 0.48 -0.28 -0.74 0.09 0.00 0.00 178.44 177.76 1myf h HIS 12 N 0.88 -0.74 -0.64 1.13 2.76 0.01 0.61 115.15 119.16 1myf h HIS 12 Ca 0.36 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.55 1myf h HIS 12 Cb 0.19 0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.35 1myf h HIS 12 CO -0.05 -0.42 0.37 0.28 -1.30 0.00 0.00 177.93 176.81 1myf h VAL 13 N -0.89 1.03 -0.04 5.26 2.07 -0.72 -2.30 116.25 120.65 1myf h VAL 13 Ca -0.08 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1myf h VAL 13 Cb 0.64 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1myf h VAL 13 CO 0.13 0.13 -0.27 -0.25 0.02 0.00 0.00 177.57 177.33 1myf h TRP 14 N 0.72 0.08 -0.03 1.57 2.91 -0.42 0.20 115.95 120.98 1myf h TRP 14 Ca 0.27 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.28 1myf h TRP 14 Cb 0.09 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1myf h TRP 14 CO -0.06 0.35 0.02 0.00 -1.03 0.00 0.00 178.44 177.72 1myf h ALA 15 N 1.65 1.99 -0.24 2.65 0.00 -0.28 0.36 119.26 125.40 1myf h ALA 15 Ca 0.01 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1myf h ALA 15 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1myf h ALA 15 CO 0.04 -0.04 -0.45 0.87 0.00 0.00 0.00 179.25 179.67 1myf h LYS 16 N 0.00 0.62 0.75 0.00 1.57 -0.56 0.13 116.57 119.09 1myf h LYS 16 Ca 0.01 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 1myf h LYS 16 Cb 0.06 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1myf h LYS 16 CO -0.00 0.95 -0.41 0.28 -0.57 0.00 0.00 179.45 179.70 1myf h VAL 17 N 0.50 0.16 -0.84 0.50 2.07 -1.10 -2.82 116.25 114.73 1myf h VAL 17 Ca 0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.70 1myf h VAL 17 Cb 0.98 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1myf h VAL 17 CO 0.09 0.00 0.55 -0.33 0.02 0.00 0.00 177.57 177.90 1myf h GLU 18 N -1.08 0.54 -0.64 1.57 5.08 -0.71 0.31 114.58 119.66 1myf h GLU 18 Ca -0.10 -0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.39 1myf h GLU 18 Cb 0.85 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1myf h GLU 18 CO 0.13 0.36 0.44 0.00 -1.00 0.00 0.00 179.01 178.95 1myf h ALA 19 N 1.62 2.38 -1.35 3.43 0.00 -0.47 -3.22 119.26 121.65 1myf h ALA 19 Ca 0.42 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.91 1myf h ALA 19 Cb 0.80 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.28 1myf h ALA 19 CO -0.17 -0.56 -0.95 -3.47 0.00 0.00 0.00 179.25 174.11 1myf n ASP 20 N -4.41 -0.29 -0.17 0.00 2.03 0.34 -4.99 116.55 109.07 1myf n ASP 20 Ca 0.12 -3.19 -0.03 0.00 0.52 0.00 0.00 54.79 52.21 1myf n ASP 20 Cb 0.60 0.20 0.06 0.00 -0.72 0.00 0.00 41.12 41.26 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 1.74 0.87 -0.55 5.18 3.04 -0.54 0.35 116.25 126.35 1myf h VAL 21 Ca 0.03 -0.14 0.04 0.00 -1.01 0.00 0.00 66.70 65.62 1myf h VAL 21 Cb 1.00 0.42 -0.04 0.00 -2.01 0.00 0.00 31.29 30.66 1myf h VAL 21 CO 0.39 0.08 0.30 0.00 -1.01 0.00 0.00 177.57 177.32 1myf h ALA 22 N 1.32 0.71 0.11 3.17 0.00 -1.89 0.23 119.26 122.91 1myf h ALA 22 Ca 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1myf h ALA 22 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1myf h ALA 22 CO -0.21 -0.02 -0.05 0.78 0.00 0.00 0.00 179.25 179.74 1myf h GLY 23 N 0.58 -0.16 0.44 0.00 0.00 -1.67 0.88 103.07 103.15 1myf h GLY 23 Ca 0.23 0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.65 1myf h GLY 23 CO -0.14 -0.06 -0.26 0.45 0.00 0.00 0.00 176.54 176.53 1myf h HIS 24 N -0.44 -0.71 -0.31 5.60 3.86 -0.82 -0.82 115.15 121.51 1myf h HIS 24 Ca -0.02 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1myf h HIS 24 Cb 0.36 0.31 -0.07 0.00 1.06 0.00 0.00 27.41 29.07 1myf h HIS 24 CO 0.02 -0.36 -0.14 0.78 0.86 0.00 0.00 177.93 179.09 1myf h GLY 25 N -0.43 0.12 0.88 2.45 0.00 -0.45 0.27 103.07 105.91 1myf h GLY 25 Ca 0.05 0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 1myf h GLY 25 CO -0.21 -0.16 -0.43 -1.61 0.00 0.00 0.00 176.54 174.14 1myf h GLN 26 N -0.09 -1.05 -0.63 4.80 4.15 -0.42 -0.80 115.11 121.06 1myf h GLN 26 Ca 0.16 0.07 0.13 0.00 0.77 0.00 0.00 58.65 59.78 1myf h GLN 26 Cb 0.33 0.24 -0.10 0.00 0.21 0.00 0.00 27.48 28.16 1myf h GLN 26 CO -0.37 -0.70 0.04 0.22 -1.93 0.00 0.00 178.83 176.09 1myf h ASP 27 N -1.09 -0.20 0.06 -0.69 1.82 -0.83 0.08 116.42 115.57 1myf h ASP 27 Ca -0.10 0.15 0.02 0.00 -0.39 0.00 0.00 57.03 56.71 1myf h ASP 27 Cb 0.87 0.25 -0.04 0.00 0.68 0.00 0.00 39.33 41.09 1myf h ASP 27 CO 0.12 -0.09 -0.23 0.40 -1.61 0.00 0.00 179.24 177.83 1myf h ILE 28 N 0.15 0.48 0.21 2.25 2.04 -0.06 0.24 117.51 122.81 1myf h ILE 28 Ca 0.34 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 1myf h ILE 28 Cb 0.54 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1myf h ILE 28 CO -0.51 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 177.47 1myf h LEU 29 N -0.40 -0.23 -0.70 1.44 3.38 -0.26 0.17 115.31 118.70 1myf h LEU 29 Ca 0.04 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 57.94 1myf h LEU 29 Cb 0.45 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 1myf h LEU 29 CO -0.17 0.04 0.35 0.40 0.09 0.00 0.00 178.44 179.16 1myf h ILE 30 N -0.51 0.86 -0.46 1.22 2.04 -0.87 0.87 117.51 120.65 1myf h ILE 30 Ca -0.03 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1myf h ILE 30 Cb 0.39 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1myf h ILE 30 CO 0.05 0.11 0.20 -0.09 0.00 0.00 0.00 178.15 178.41 1myf h ARG 31 N 0.61 0.68 0.43 2.37 2.43 -0.30 0.98 114.38 121.58 1myf h ARG 31 Ca 0.34 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1myf h ARG 31 Cb 0.35 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1myf h ARG 31 CO -0.26 0.61 -0.29 1.25 -1.51 0.00 0.00 179.97 179.77 1myf h LEU 32 N 0.60 -0.75 -0.16 3.80 5.85 0.32 0.97 115.31 125.95 1myf h LEU 32 Ca 0.16 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.98 1myf h LEU 32 Cb 0.17 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1myf h LEU 32 CO -0.01 -0.45 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.07 1myf h PHE 33 N -0.70 -0.83 -0.82 1.25 0.04 -0.73 -1.18 116.94 113.97 1myf h PHE 33 Ca -0.04 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1myf h PHE 33 Cb 0.59 0.39 -0.04 0.00 2.20 0.00 0.00 35.95 39.09 1myf h PHE 33 CO -0.12 -0.38 0.37 -0.22 -0.60 0.00 0.00 178.31 177.36 1myf h LYS 34 N -0.36 1.21 0.69 1.51 3.64 -0.72 -2.54 116.57 120.01 1myf h LYS 34 Ca 0.11 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1myf h LYS 34 Cb 0.52 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1myf h LYS 34 CO -0.36 0.95 -0.33 0.77 -2.27 0.00 0.00 179.45 178.20 1myf h SER 35 N 1.18 -0.79 -2.80 4.20 0.02 -0.42 -3.41 113.55 111.54 1myf h SER 35 Ca 0.28 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.64 1myf h SER 35 Cb 0.16 0.20 -0.39 0.00 0.14 0.00 0.00 62.40 62.52 1myf h SER 35 CO -0.03 -0.43 -0.84 -1.38 -1.14 0.00 0.00 176.83 173.01 1myf s HIS 36 N -4.99 1.29 0.64 3.45 -3.43 -0.48 -5.02 115.29 106.74 1myf s HIS 36 Ca -0.15 -2.10 0.19 0.00 -0.80 0.00 0.00 55.06 52.20 1myf s HIS 36 Cb 0.02 -1.26 0.89 0.00 -1.43 0.00 0.00 32.58 30.80 1myf s HIS 36 CO 0.48 -0.80 1.46 -1.35 -2.00 0.00 0.00 174.74 172.54 1myf h PRO 37 N 6.52 0.00 -1.05 -0.38 0.11 -1.66 -2.47 132.00 133.07 1myf h PRO 37 Ca 0.10 0.00 0.27 0.00 0.11 0.00 0.00 66.00 66.48 1myf h PRO 37 Cb 0.93 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.94 1myf h PRO 37 CO 0.37 0.00 0.66 0.93 -0.21 0.00 0.00 178.00 179.75 1myf h GLU 38 N 0.00 0.41 0.35 1.05 3.07 -1.93 0.17 114.58 117.70 1myf h GLU 38 Ca 0.16 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.97 1myf h GLU 38 Cb 1.74 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.57 1myf h GLU 38 CO -0.00 0.27 -0.17 1.79 -1.40 0.00 0.00 179.01 179.50 1myf h THR 39 N 0.42 0.65 -0.87 1.13 1.35 -1.79 -2.14 112.91 111.66 1myf h THR 39 Ca 0.63 -0.38 0.05 0.00 -0.55 0.00 0.00 66.41 66.16 1myf h THR 39 Cb 1.51 0.85 -0.06 0.00 -1.73 0.00 0.00 68.15 68.72 1myf h THR 39 CO -0.36 0.07 0.55 0.25 -0.25 0.00 0.00 175.52 175.78 1myf h LEU 40 N -0.69 0.88 -0.75 3.87 7.12 -1.38 0.75 115.31 125.10 1myf h LEU 40 Ca -0.05 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 1myf h LEU 40 Cb 0.48 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.40 1myf h LEU 40 CO 0.08 0.58 0.38 -0.33 -0.13 0.00 0.00 178.44 179.02 1myf h GLU 41 N 1.02 1.07 -0.27 1.25 5.08 -0.75 -3.13 114.58 118.85 1myf h GLU 41 Ca 0.37 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1myf h GLU 41 Cb 0.11 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1myf h GLU 41 CO -0.15 0.82 -0.30 -0.22 -1.00 0.00 0.00 179.01 178.15 1myf h LYS 42 N 1.05 0.68 -6.35 2.33 3.11 -0.47 -3.44 116.57 113.48 1myf h LYS 42 Ca 0.26 -0.37 -0.63 0.00 -2.81 0.00 0.00 60.65 57.09 1myf h LYS 42 Cb 0.08 0.02 0.04 0.00 -1.00 0.00 0.00 32.23 31.38 1myf h LYS 42 CO -0.04 0.99 0.81 1.19 -2.81 0.00 0.00 179.45 179.59 1myf n PHE 43 N -4.27 2.08 0.05 1.91 3.72 0.12 -4.94 117.46 116.13 1myf n PHE 43 Ca -0.04 0.32 -0.10 0.00 -0.05 0.00 0.00 57.45 57.58 1myf n PHE 43 Cb 0.48 -2.51 -0.07 0.00 -0.94 0.00 0.00 39.48 36.44 1myf n PHE 43 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1myf h ASP 44 N 6.59 -0.19 0.60 4.37 3.58 -1.87 -3.21 116.42 126.29 1myf h ASP 44 Ca -0.47 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 56.66 1myf h ASP 44 Cb 1.29 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1myf h ASP 44 CO 0.89 0.38 0.00 0.03 -2.88 0.00 0.00 179.24 177.66 1myf h ARG 45 N -0.91 0.00 -2.48 0.28 -0.00 -1.96 -3.25 114.38 106.05 1myf h ARG 45 Ca -0.02 0.00 -0.69 0.00 -0.50 0.00 0.00 59.98 58.77 1myf h ARG 45 Cb 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 29.97 30.34 1myf h ARG 45 CO 0.04 0.00 1.98 1.19 0.00 0.00 0.00 179.97 183.18 1myf n PHE 46 N -2.81 2.37 -0.53 3.04 3.72 -1.21 -4.92 117.46 117.11 1myf n PHE 46 Ca -0.00 -2.63 -0.25 0.00 -0.05 0.00 0.00 57.45 54.52 1myf n PHE 46 Cb 0.20 -1.74 -0.05 0.00 -0.94 0.00 0.00 39.48 36.95 1myf n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1myf n LYS 47 N 1.56 0.00 -0.57 -1.08 5.02 -1.23 -4.50 118.16 117.36 1myf n LYS 47 Ca 0.60 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.73 1myf n LYS 47 Cb 0.32 -0.62 -0.02 0.00 -0.02 0.00 0.00 35.03 34.69 1myf n LYS 47 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1myf n HIS 48 N 3.00 0.95 -1.40 2.13 8.25 -1.26 -4.89 115.22 121.99 1myf n HIS 48 Ca 0.22 -1.54 -0.29 0.00 -0.26 0.00 0.00 57.72 55.85 1myf n HIS 48 Cb -0.02 -1.39 0.17 0.00 1.12 0.00 0.00 29.99 29.87 1myf n HIS 48 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1myf s LEU 49 N 0.07 1.72 -0.02 2.41 1.43 -1.26 -5.02 118.68 118.01 1myf s LEU 49 Ca 0.31 0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 54.18 1myf s LEU 49 Cb 0.09 -3.06 -0.07 0.00 0.03 0.00 0.00 46.19 43.18 1myf s LEU 49 CO -0.02 -3.00 0.68 0.11 0.23 0.00 0.00 176.35 174.35 1myf h LYS 50 N -1.80 -0.46 -6.40 1.70 1.79 -2.00 -3.47 116.57 105.93 1myf h LYS 50 Ca -0.50 0.03 -0.65 0.00 -2.18 0.00 0.00 60.65 57.35 1myf h LYS 50 Cb 1.32 0.10 -0.13 0.00 -1.58 0.00 0.00 32.23 31.95 1myf h LYS 50 CO 0.54 -0.30 -0.68 -0.08 -1.08 0.00 0.00 179.45 177.85 1myf s THR 51 N -3.20 3.82 0.53 -0.16 -1.32 -1.26 -5.01 115.64 109.05 1myf s THR 51 Ca -0.07 -1.12 0.31 0.00 -1.21 0.00 0.00 61.69 59.60 1myf s THR 51 Cb 0.01 -2.83 0.47 0.00 -1.51 0.00 0.00 72.50 68.64 1myf s THR 51 CO 0.21 0.08 1.90 -0.33 -2.21 0.00 0.00 174.62 174.27 1myf h GLU 52 N 3.36 0.01 -0.84 7.08 5.08 -1.99 0.95 114.58 128.23 1myf h GLU 52 Ca -0.48 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.96 1myf h GLU 52 Cb 1.17 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 1myf h GLU 52 CO 0.58 0.01 0.50 0.00 -1.00 0.00 0.00 179.01 179.09 1myf h ALA 53 N 1.58 1.17 -0.49 3.43 0.00 -1.99 0.19 119.26 123.15 1myf h ALA 53 Ca 0.41 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 1myf h ALA 53 Cb 1.61 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1myf h ALA 53 CO -0.01 0.18 -0.02 0.93 0.00 0.00 0.00 179.25 180.33 1myf h GLU 54 N 0.87 0.89 0.01 0.00 5.08 -1.22 -0.52 114.58 119.69 1myf h GLU 54 Ca 0.38 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1myf h GLU 54 Cb 0.27 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1myf h GLU 54 CO -0.21 0.94 -0.01 0.52 -1.00 0.00 0.00 179.01 179.25 1myf h MET 55 N 0.75 -0.02 -0.54 2.33 2.86 -0.94 0.33 114.93 119.70 1myf h MET 55 Ca 0.14 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1myf h MET 55 Cb 0.55 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1myf h MET 55 CO 0.03 -0.01 0.32 0.87 1.06 0.00 0.00 176.91 179.17 1myf h LYS 56 N -0.02 0.60 -0.35 1.72 1.57 -0.59 0.77 116.57 120.28 1myf h LYS 56 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1myf h LYS 56 Cb 0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1myf h LYS 56 CO -0.00 0.40 0.22 0.00 -0.57 0.00 0.00 179.45 179.50 1myf h ALA 57 N 1.25 1.74 -0.02 3.86 0.00 -0.36 -2.96 119.26 122.77 1myf h ALA 57 Ca 0.22 -0.03 -0.68 0.00 0.00 0.00 0.00 54.91 54.43 1myf h ALA 57 Cb 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.72 1myf h ALA 57 CO -0.11 0.24 3.74 0.43 0.00 0.00 0.00 179.25 183.55 1myf n SER 58 N -4.48 8.23 0.20 0.00 7.64 0.11 -4.76 113.62 120.57 1myf n SER 58 Ca 0.02 -2.62 0.05 0.00 1.01 0.00 0.00 58.87 57.33 1myf n SER 58 Cb 0.07 -1.56 0.08 0.00 -1.01 0.00 0.00 64.21 61.78 1myf n SER 58 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1myf n GLU 59 N 3.79 0.02 0.21 1.43 2.13 -1.12 -0.08 120.64 127.02 1myf n GLU 59 Ca 0.76 0.87 0.18 0.00 0.66 0.00 0.00 57.16 59.62 1myf n GLU 59 Cb 0.25 -2.30 0.83 0.00 0.27 0.00 0.00 31.44 30.49 1myf n GLU 59 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1myf h ASP 60 N 0.00 0.00 -0.14 4.31 3.58 -1.88 0.33 116.42 122.62 1myf h ASP 60 Ca 0.09 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.57 1myf h ASP 60 Cb 1.97 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.98 1myf h ASP 60 CO -0.00 0.00 -0.09 0.25 -2.88 0.00 0.00 179.24 176.52 1myf h LEU 61 N 0.00 -0.29 -0.02 2.28 5.85 -0.75 0.33 115.31 122.71 1myf h LEU 61 Ca 0.09 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1myf h LEU 61 Cb 0.62 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1myf h LEU 61 CO -0.00 -0.12 -0.02 0.50 -0.34 0.00 0.00 178.44 178.46 1myf h LYS 62 N -0.09 0.05 -0.81 1.25 3.64 -0.65 -0.81 116.57 119.15 1myf h LYS 62 Ca 0.09 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.57 1myf h LYS 62 Cb 0.22 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 1myf h LYS 62 CO -0.20 0.50 0.42 -0.22 -2.27 0.00 0.00 179.45 177.68 1myf h LYS 63 N -0.39 0.62 -0.12 1.90 3.64 -0.96 -0.16 116.57 121.10 1myf h LYS 63 Ca 0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1myf h LYS 63 Cb 0.49 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1myf h LYS 63 CO 0.00 0.41 -0.08 1.25 -2.27 0.00 0.00 179.45 178.77 1myf h HIS 64 N 0.64 0.30 -0.84 1.91 2.76 -0.18 -1.88 115.15 117.85 1myf h HIS 64 Ca 0.42 -0.08 0.20 0.00 -2.20 0.00 0.00 60.37 58.72 1myf h HIS 64 Cb 0.54 -0.07 -0.12 0.00 1.55 0.00 0.00 27.41 29.31 1myf h HIS 64 CO -0.09 0.63 0.30 0.78 -1.30 0.00 0.00 177.93 178.24 1myf h GLY 65 N -0.11 1.34 0.99 5.26 0.00 -0.09 0.32 103.07 110.78 1myf h GLY 65 Ca 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1myf h GLY 65 CO 0.02 -0.26 -0.30 -2.08 0.00 0.00 0.00 176.54 173.92 1myf h VAL 66 N 0.33 0.40 -0.60 4.60 2.07 -0.97 0.23 116.25 122.31 1myf h VAL 66 Ca 0.51 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.15 1myf h VAL 66 Cb 0.95 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 31.02 1myf h VAL 66 CO -0.55 0.00 0.05 0.74 0.02 0.00 0.00 177.57 177.83 1myf h THR 67 N -0.81 0.56 0.27 2.57 2.02 -0.08 0.21 112.91 117.65 1myf h THR 67 Ca -0.08 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1myf h THR 67 Cb 0.63 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1myf h THR 67 CO 0.12 0.03 -0.13 0.58 0.37 0.00 0.00 175.52 176.49 1myf h VAL 68 N 0.16 0.00 -0.97 3.16 2.07 -0.25 -1.59 116.25 118.83 1myf h VAL 68 Ca 0.31 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.92 1myf h VAL 68 Cb 0.49 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 1myf h VAL 68 CO -0.47 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 177.66 1myf h LEU 69 N -0.41 0.82 -0.71 2.57 4.07 -0.87 -1.13 115.31 119.65 1myf h LEU 69 Ca -0.04 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1myf h LEU 69 Cb 0.28 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 1myf h LEU 69 CO 0.06 0.41 0.46 0.74 -1.08 0.00 0.00 178.44 179.03 1myf h THR 70 N 0.87 1.19 0.22 0.22 2.02 -0.49 0.65 112.91 117.59 1myf h THR 70 Ca 0.49 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1myf h THR 70 Cb 0.62 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1myf h THR 70 CO -0.26 0.19 -0.10 0.00 0.37 0.00 0.00 175.52 175.72 1myf h ALA 71 N 1.25 -0.29 -0.47 6.16 0.00 -0.22 -0.05 119.26 125.63 1myf h ALA 71 Ca 0.26 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1myf h ALA 71 Cb -0.08 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1myf h ALA 71 CO -0.05 -0.57 0.31 1.25 0.00 0.00 0.00 179.25 180.19 1myf h LEU 72 N -0.47 0.46 0.05 0.00 5.85 -1.09 -2.34 115.31 117.75 1myf h LEU 72 Ca -0.03 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1myf h LEU 72 Cb 0.36 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1myf h LEU 72 CO 0.05 0.32 -0.02 1.23 -0.34 0.00 0.00 178.44 179.67 1myf h GLY 73 N 0.53 -0.07 0.56 3.75 0.00 0.59 -0.47 103.07 107.97 1myf h GLY 73 Ca 0.19 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.62 1myf h GLY 73 CO -0.05 -0.02 0.32 0.00 0.00 0.00 0.00 176.54 176.78 1myf h ALA 74 N 0.71 0.85 0.23 3.60 0.00 -0.64 0.36 119.26 124.37 1myf h ALA 74 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1myf h ALA 74 Cb 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1myf h ALA 74 CO 0.01 -0.06 -0.15 0.82 0.00 0.00 0.00 179.25 179.87 1myf h ILE 75 N 0.57 0.68 -0.87 0.00 1.08 -1.17 -2.13 117.51 115.66 1myf h ILE 75 Ca 0.30 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.76 1myf h ILE 75 Cb 0.27 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 1myf h ILE 75 CO -0.23 0.00 0.51 -0.07 -0.69 0.00 0.00 178.15 177.67 1myf h LEU 76 N -0.37 1.06 -0.75 1.44 3.38 -0.56 -2.91 115.31 116.59 1myf h LEU 76 Ca -0.02 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1myf h LEU 76 Cb 0.32 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1myf h LEU 76 CO 0.01 0.83 0.49 0.11 0.09 0.00 0.00 178.44 179.97 1myf h LYS 77 N 1.20 0.94 -5.83 1.13 1.79 0.08 -3.17 116.57 112.71 1myf h LYS 77 Ca 0.31 -0.06 -0.58 0.00 -2.18 0.00 0.00 60.65 58.14 1myf h LYS 77 Cb -0.02 -0.21 -0.08 0.00 -1.58 0.00 0.00 32.23 30.34 1myf h LYS 77 CO -0.06 0.62 1.78 0.15 -1.08 0.00 0.00 179.45 180.87 1myf s LYS 78 N -6.12 3.56 0.00 3.15 -0.14 -0.84 -4.84 119.74 114.51 1myf s LYS 78 Ca -0.13 -1.58 0.00 0.00 -1.36 0.00 0.00 55.97 52.90 1myf s LYS 78 Cb 0.16 -5.42 0.00 0.00 -1.68 0.00 0.00 37.83 30.88 1myf s LYS 78 CO 0.78 -2.62 0.17 0.36 -0.76 0.00 0.00 175.35 173.28 1myf n LYS 79 N 8.50 0.00 0.00 1.68 2.85 -1.20 -3.51 118.16 126.48 1myf n LYS 79 Ca 0.45 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.71 1myf n LYS 79 Cb 0.47 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 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 2.30 1.81 2.84 2.58 0.00 -1.26 -5.07 105.19 108.40 1myf n GLY 80 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1myf n GLY 80 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1myf n HIS 81 N 0.00 3.54 -4.60 1.61 1.44 -1.23 -5.04 115.22 110.94 1myf n HIS 81 Ca 0.00 -4.17 -0.28 0.00 -2.01 0.00 0.00 57.72 51.26 1myf n HIS 81 Cb 0.00 -0.75 -0.08 0.00 0.12 0.00 0.00 29.99 29.28 1myf n HIS 81 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 1myf s HIS 82 N -1.75 1.88 0.00 -1.40 -3.43 -1.26 -4.86 115.29 104.46 1myf s HIS 82 Ca 0.29 -1.10 0.00 0.00 -0.80 0.00 0.00 55.06 53.46 1myf s HIS 82 Cb 0.00 -1.37 0.00 0.00 -1.43 0.00 0.00 32.58 29.78 1myf s HIS 82 CO -0.11 -0.03 0.00 0.39 -2.00 0.00 0.00 174.74 172.98 1myf n GLU 83 N -1.02 0.00 -0.29 -0.38 -0.58 -1.26 -4.97 120.64 112.14 1myf n GLU 83 Ca -0.10 0.00 0.32 0.00 -0.42 0.00 0.00 57.16 56.96 1myf n GLU 83 Cb 0.66 0.00 0.71 0.00 -0.57 0.00 0.00 31.44 32.24 1myf n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1myf h ALA 84 N 0.00 2.95 0.00 0.62 0.00 -2.03 0.96 119.26 121.77 1myf h ALA 84 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1myf h ALA 84 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1myf h ALA 84 CO 0.00 -1.28 -0.27 0.93 0.00 0.00 0.00 179.25 178.62 1myf h GLU 85 N 0.05 0.00 -2.78 0.00 3.07 -1.95 -3.34 114.58 109.63 1myf h GLU 85 Ca 0.54 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 59.09 1myf h GLU 85 Cb 2.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.95 1myf h GLU 85 CO -0.05 0.27 1.47 -0.11 -1.40 0.00 0.00 179.01 179.20 1myf n LEU 86 N -3.73 5.08 -4.48 1.33 7.94 0.33 -4.92 117.00 118.55 1myf n LEU 86 Ca -0.01 -2.94 -0.53 0.00 -1.11 0.00 0.00 56.01 51.42 1myf n LEU 86 Cb 0.38 -1.15 -0.08 0.00 0.53 0.00 0.00 43.42 43.11 1myf n LEU 86 CO 0.35 1.13 1.68 0.29 -1.11 0.00 0.00 177.39 179.72 1myf n LYS 87 N 3.31 0.99 -0.31 1.96 4.01 -1.26 -3.23 118.16 123.63 1myf n LYS 87 Ca 0.44 0.30 0.00 0.00 -0.51 0.00 0.00 58.31 58.54 1myf n LYS 87 Cb 0.42 -2.26 0.00 0.00 -0.51 0.00 0.00 35.03 32.68 1myf n LYS 87 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1myf n PRO 88 N 7.45 -0.11 -0.06 1.97 -0.02 -1.26 -4.74 135.00 138.23 1myf n PRO 88 Ca 0.39 -0.02 -0.06 0.00 -2.02 0.00 0.00 63.50 61.79 1myf n PRO 88 Cb 0.17 0.04 -0.05 0.00 -0.02 0.00 0.00 33.50 33.64 1myf n PRO 88 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1myf h LEU 89 N 0.19 0.00 -0.57 2.45 6.46 -1.94 -1.31 115.31 120.59 1myf h LEU 89 Ca 0.00 -0.40 0.07 0.00 -0.12 0.00 0.00 57.88 57.43 1myf h LEU 89 Cb 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 39.87 1myf h LEU 89 CO 0.00 0.75 0.25 0.00 -0.62 0.00 0.00 178.44 178.82 1myf h ALA 90 N -0.60 0.73 -0.12 1.25 0.00 -1.85 0.15 119.26 118.82 1myf h ALA 90 Ca -0.02 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1myf h ALA 90 Cb 0.46 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1myf h ALA 90 CO -0.01 -0.13 -0.35 0.37 0.00 0.00 0.00 179.25 179.13 1myf h GLN 91 N 0.47 -0.42 0.55 0.00 -0.00 -1.94 0.27 115.11 114.04 1myf h GLN 91 Ca 0.27 0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.92 1myf h GLN 91 Cb 0.25 0.09 0.01 0.00 0.00 0.00 0.00 27.48 27.83 1myf h GLN 91 CO -0.23 -0.28 -0.26 0.66 0.00 0.00 0.00 178.83 178.72 1myf h SER 92 N -0.43 -0.63 -0.25 -0.69 4.64 -0.71 0.63 113.55 116.11 1myf h SER 92 Ca 0.09 -0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.45 1myf h SER 92 Cb 0.57 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1myf h SER 92 CO -0.36 -0.36 0.29 0.45 -0.87 0.00 0.00 176.83 175.98 1myf h HIS 93 N -0.87 0.00 0.00 4.77 3.86 -0.73 0.21 115.15 122.39 1myf h HIS 93 Ca -0.08 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.00 1myf h HIS 93 Cb 0.62 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 1myf h HIS 93 CO -0.01 0.00 -0.94 0.00 0.86 0.00 0.00 177.93 177.84 1myf h ALA 94 N 1.65 0.15 0.04 2.45 0.00 -0.30 0.85 119.26 124.09 1myf h ALA 94 Ca 0.12 -0.91 -0.32 0.00 0.00 0.00 0.00 54.91 53.81 1myf h ALA 94 Cb 0.70 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1myf h ALA 94 CO -0.00 0.62 -1.82 0.25 0.00 0.00 0.00 179.25 178.29 1myf n THR 95 N -4.51 1.65 -0.09 0.00 -2.24 0.20 -3.98 114.28 105.30 1myf n THR 95 Ca -0.21 -0.76 -0.13 0.00 -2.27 0.00 0.00 64.05 60.68 1myf n THR 95 Cb 0.50 -1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 67.46 1myf n THR 95 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1myf n LYS 96 N -3.16 0.52 0.03 -0.78 5.02 0.55 -4.71 118.16 115.64 1myf n LYS 96 Ca -0.22 0.37 -0.08 0.00 -2.02 0.00 0.00 58.31 56.36 1myf n LYS 96 Cb 1.05 -1.57 -0.13 0.00 -0.02 0.00 0.00 35.03 34.37 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 0.04 -5.16 2.13 3.86 -1.23 -3.49 115.15 110.30 1myf h HIS 97 Ca -0.17 -0.03 -0.25 0.00 -1.16 0.00 0.00 60.37 58.76 1myf h HIS 97 Cb 0.99 -0.00 0.16 0.00 1.06 0.00 0.00 27.41 29.62 1myf h HIS 97 CO -0.23 1.04 -0.72 1.63 0.86 0.00 0.00 177.93 180.50 1myf n LYS 98 N -3.25 -3.55 -3.31 2.45 4.76 -0.89 -5.00 118.16 109.37 1myf n LYS 98 Ca -0.08 0.75 -0.43 0.00 -2.87 0.00 0.00 58.31 55.68 1myf n LYS 98 Cb 0.99 -5.36 -0.08 0.00 -1.84 0.00 0.00 35.03 28.75 1myf n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1myf s ILE 99 N -3.33 5.09 0.56 -0.18 -1.09 0.24 -5.03 121.20 117.47 1myf s ILE 99 Ca 0.24 -0.58 -0.20 0.00 -2.23 0.00 0.00 60.65 57.87 1myf s ILE 99 Cb -0.03 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1myf s ILE 99 CO 0.64 -0.53 1.25 -2.16 -1.23 0.00 0.00 174.94 172.91 1myf s PRO 100 N 2.08 3.14 0.52 2.79 0.04 -1.26 -4.78 135.00 137.52 1myf s PRO 100 Ca 0.10 1.94 0.27 0.00 0.04 0.00 0.00 61.00 63.36 1myf s PRO 100 Cb -0.19 -2.10 1.39 0.00 0.04 0.00 0.00 34.50 33.63 1myf s PRO 100 CO 0.11 -1.10 1.92 -0.84 0.04 0.00 0.00 177.00 177.13 1myf h ILE 101 N 1.21 0.63 -0.82 0.56 -2.65 -1.97 0.14 117.51 114.61 1myf h ILE 101 Ca -0.50 -0.02 0.19 0.00 1.03 0.00 0.00 64.86 65.56 1myf h ILE 101 Cb 1.29 0.56 -0.12 0.00 -2.05 0.00 0.00 36.82 36.50 1myf h ILE 101 CO 0.56 0.01 0.27 0.50 0.03 0.00 0.00 178.15 179.53 1myf h LYS 102 N 0.07 0.31 -0.07 0.16 1.63 -1.95 0.44 116.57 117.16 1myf h LYS 102 Ca 0.37 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 60.09 1myf h LYS 102 Cb 1.39 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.94 1myf h LYS 102 CO -0.03 0.21 -0.27 1.88 -3.45 0.00 0.00 179.45 177.78 1myf h TYR 103 N 0.32 0.14 -0.20 1.91 0.05 -1.06 0.34 116.97 118.47 1myf h TYR 103 Ca 0.49 -0.02 -0.12 0.00 0.05 0.00 0.00 58.73 59.13 1myf h TYR 103 Cb 0.90 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 1myf h TYR 103 CO -0.21 0.39 -0.38 -0.07 -1.05 0.00 0.00 178.16 176.84 1myf h LEU 104 N 0.11 0.47 -0.29 3.88 3.38 -0.24 0.12 115.31 122.74 1myf h LEU 104 Ca 0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1myf h LEU 104 Cb 0.55 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1myf h LEU 104 CO 0.04 0.81 0.17 -0.33 0.09 0.00 0.00 178.44 179.21 1myf h GLU 105 N 0.38 0.40 -0.23 1.13 4.39 0.13 0.11 114.58 120.88 1myf h GLU 105 Ca 0.04 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.75 1myf h GLU 105 Cb 0.84 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.35 1myf h GLU 105 CO 0.07 0.33 -0.15 0.74 -1.16 0.00 0.00 179.01 178.84 1myf h PHE 106 N 0.36 -0.36 -0.04 4.33 0.04 -0.42 0.61 116.94 121.45 1myf h PHE 106 Ca 0.10 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.82 1myf h PHE 106 Cb 0.04 0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1myf h PHE 106 CO -0.04 -0.22 -0.37 0.97 -0.60 0.00 0.00 178.31 178.06 1myf h ILE 107 N -0.13 1.28 0.25 -0.55 2.10 -0.69 0.00 117.51 119.77 1myf h ILE 107 Ca 0.13 -1.34 -0.01 0.00 1.08 0.00 0.00 64.86 64.72 1myf h ILE 107 Cb 0.33 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.72 1myf h ILE 107 CO -0.32 0.39 -0.12 -1.28 -1.08 0.00 0.00 178.15 175.75 1myf h SER 108 N 0.08 -0.28 -0.71 2.19 0.87 -0.21 0.63 113.55 116.11 1myf h SER 108 Ca 0.01 -0.02 0.14 0.00 -1.23 0.00 0.00 61.79 60.68 1myf h SER 108 Cb 0.70 0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 62.63 1myf h SER 108 CO 0.05 -0.16 0.24 -0.33 -0.53 0.00 0.00 176.83 176.10 1myf h GLU 109 N -0.38 0.36 0.57 2.24 5.08 -0.60 0.08 114.58 121.93 1myf h GLU 109 Ca -0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1myf h GLU 109 Cb 0.29 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1myf h GLU 109 CO 0.06 0.24 -0.34 0.00 -1.00 0.00 0.00 179.01 177.96 1myf h ALA 110 N 1.54 -0.86 -0.94 3.43 0.00 -0.59 0.84 119.26 122.68 1myf h ALA 110 Ca 0.39 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1myf h ALA 110 Cb 0.61 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1myf h ALA 110 CO -0.42 -1.00 0.62 -0.84 0.00 0.00 0.00 179.25 177.61 1myf h ILE 111 N -0.85 1.24 -0.35 0.00 -0.00 -0.26 0.12 117.51 117.42 1myf h ILE 111 Ca -0.07 -0.44 0.03 0.00 -0.00 0.00 0.00 64.86 64.38 1myf h ILE 111 Cb 0.69 -0.15 -0.03 0.00 -0.00 0.00 0.00 36.82 37.33 1myf h ILE 111 CO 0.08 0.23 0.15 0.40 -0.00 0.00 0.00 178.15 179.01 1myf h ILE 112 N 1.28 0.95 -0.09 0.16 1.08 -0.87 0.01 117.51 120.03 1myf h ILE 112 Ca 0.35 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.71 1myf h ILE 112 Cb -0.15 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 1myf h ILE 112 CO -0.07 0.06 0.05 -0.74 -0.69 0.00 0.00 178.15 176.75 1myf h HIS 113 N 0.32 0.09 -0.54 1.37 2.76 0.11 -0.70 115.15 118.57 1myf h HIS 113 Ca 0.15 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1myf h HIS 113 Cb 0.09 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 1myf h HIS 113 CO -0.12 0.06 0.30 0.28 -1.30 0.00 0.00 177.93 177.15 1myf h VAL 114 N 0.11 1.18 0.10 5.26 2.07 -0.31 0.10 116.25 124.75 1myf h VAL 114 Ca 0.04 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.14 1myf h VAL 114 Cb -0.00 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1myf h VAL 114 CO -0.02 0.19 -0.19 -0.07 0.02 0.00 0.00 177.57 177.49 1myf h LEU 115 N 0.72 -0.54 -0.61 2.57 3.38 -0.84 0.14 115.31 120.12 1myf h LEU 115 Ca 0.19 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1myf h LEU 115 Cb 0.03 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1myf h LEU 115 CO -0.03 -0.27 0.24 -0.74 0.09 0.00 0.00 178.44 177.72 1myf h HIS 116 N -0.37 0.42 -0.03 1.13 2.76 -0.65 0.27 115.15 118.68 1myf h HIS 116 Ca 0.03 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1myf h HIS 116 Cb 0.39 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 1myf h HIS 116 CO -0.19 0.12 -0.02 0.77 -1.30 0.00 0.00 177.93 177.30 1myf h SER 117 N 0.43 0.08 0.84 3.26 0.02 -0.29 -2.94 113.55 114.93 1myf h SER 117 Ca 0.31 -0.43 -0.24 0.00 -0.84 0.00 0.00 61.79 60.59 1myf h SER 117 Cb 0.37 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1myf h SER 117 CO -0.30 0.48 -1.13 -0.09 -1.14 0.00 0.00 176.83 174.66 1myf h ARG 118 N -0.33 0.10 -2.05 3.45 2.43 -0.65 -3.39 114.38 113.94 1myf h ARG 118 Ca 0.01 -0.17 -0.54 0.00 -0.81 0.00 0.00 59.98 58.47 1myf h ARG 118 Cb 0.46 0.06 -0.41 0.00 -0.42 0.00 0.00 29.97 29.66 1myf h ARG 118 CO 0.01 1.06 -0.86 0.72 -1.51 0.00 0.00 179.97 179.38 1myf n HIS 119 N -3.40 2.57 -1.17 2.20 8.25 0.95 -5.07 115.22 119.54 1myf n HIS 119 Ca -0.04 -3.79 -0.31 0.00 -0.26 0.00 0.00 57.72 53.32 1myf n HIS 119 Cb 0.98 -0.42 0.10 0.00 1.12 0.00 0.00 29.99 31.77 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 -3.12 2.05 0.00 -0.41 0.04 -1.11 -0.57 135.00 131.88 1myf s PRO 120 Ca 0.45 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1myf s PRO 120 Cb 0.32 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 33.00 1myf s PRO 120 CO -0.11 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.53 1myf n GLY 121 N -0.93 1.43 0.21 0.56 0.00 -1.26 -4.26 105.19 100.95 1myf n GLY 121 Ca 0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1myf n GLY 121 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1myf h ASP 122 N 0.00 0.71 -0.45 1.61 5.19 -1.98 -3.27 116.42 118.23 1myf h ASP 122 Ca 0.00 -0.38 -0.72 0.00 -0.62 0.00 0.00 57.03 55.31 1myf h ASP 122 Cb 0.00 -0.19 -0.07 0.00 0.18 0.00 0.00 39.33 39.24 1myf h ASP 122 CO 0.00 0.92 2.76 0.33 -3.12 0.00 0.00 179.24 180.13 1myf n PHE 123 N -4.38 3.55 -2.22 4.55 7.35 0.26 -4.80 117.46 121.78 1myf n PHE 123 Ca -0.02 -2.93 -0.27 0.00 -0.76 0.00 0.00 57.45 53.47 1myf n PHE 123 Cb 0.36 -2.42 0.12 0.00 0.35 0.00 0.00 39.48 37.89 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 2.76 1.74 0.26 7.13 0.00 -1.24 -4.77 107.32 113.21 1myf s GLY 124 Ca 0.46 -1.24 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 1myf s GLY 124 CO -0.05 -0.67 1.67 0.00 0.00 0.00 0.00 173.10 174.05 1myf h ALA 125 N -0.93 1.07 -0.34 3.20 0.00 -1.93 0.80 119.26 121.13 1myf h ALA 125 Ca -0.42 0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1myf h ALA 125 Cb 1.28 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1myf h ALA 125 CO 0.47 -0.38 0.14 -0.44 0.00 0.00 0.00 179.25 179.05 1myf h ASP 126 N 0.25 0.18 0.04 0.00 5.19 -1.96 0.72 116.42 120.84 1myf h ASP 126 Ca 0.47 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.90 1myf h ASP 126 Cb 0.85 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 1myf h ASP 126 CO -0.57 0.14 -0.02 0.00 -3.12 0.00 0.00 179.24 175.67 1myf h ALA 127 N 1.20 -0.05 -0.45 3.45 0.00 -1.36 -0.81 119.26 121.23 1myf h ALA 127 Ca 0.15 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1myf h ALA 127 Cb 0.09 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 1myf h ALA 127 CO -0.13 -0.48 -0.28 0.37 0.00 0.00 0.00 179.25 178.73 1myf h GLN 128 N -0.16 -0.18 -0.02 0.00 -0.00 -0.35 0.22 115.11 114.62 1myf h GLN 128 Ca -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.67 1myf h GLN 128 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.65 1myf h GLN 128 CO 0.01 -0.12 -0.05 0.78 0.00 0.00 0.00 178.83 179.45 1myf h GLY 129 N -0.19 -0.03 0.77 2.39 0.00 -0.72 0.91 103.07 106.20 1myf h GLY 129 Ca 0.20 0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.62 1myf h GLY 129 CO -0.56 -0.06 0.13 0.00 0.00 0.00 0.00 176.54 176.05 1myf h ALA 130 N 0.93 0.37 0.25 3.60 0.00 -0.20 -0.05 119.26 124.18 1myf h ALA 130 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1myf h ALA 130 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1myf h ALA 130 CO -0.06 -0.27 -0.12 1.98 0.00 0.00 0.00 179.25 180.78 1myf h MET 131 N 0.28 -0.32 -0.09 0.00 1.85 -0.44 0.10 114.93 116.30 1myf h MET 131 Ca 0.14 0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.29 1myf h MET 131 Cb 0.09 0.07 -0.05 0.00 0.43 0.00 0.00 31.60 32.14 1myf h MET 131 CO -0.13 -0.19 -0.23 -0.97 -0.40 0.00 0.00 176.91 174.99 1myf h ASN 132 N -0.37 -0.72 -0.35 1.39 -1.24 -0.61 0.11 115.58 113.79 1myf h ASN 132 Ca -0.03 0.11 0.06 0.00 0.71 0.00 0.00 56.30 57.14 1myf h ASN 132 Cb 0.28 0.31 -0.05 0.00 0.73 0.00 0.00 38.32 39.60 1myf h ASN 132 CO 0.06 -0.29 0.03 0.11 -1.29 0.00 0.00 177.43 176.05 1myf h LYS 133 N -0.32 0.13 -0.57 6.67 1.57 -0.94 0.43 116.57 123.55 1myf h LYS 133 Ca 0.09 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 1myf h LYS 133 Cb 0.45 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.66 1myf h LYS 133 CO -0.28 0.09 0.22 0.00 -0.57 0.00 0.00 179.45 178.92 1myf h ALA 134 N 1.28 0.72 0.00 3.86 0.00 -0.32 0.12 119.26 124.92 1myf h ALA 134 Ca 0.17 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1myf h ALA 134 Cb 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1myf h ALA 134 CO -0.25 -0.17 -0.35 -0.07 0.00 0.00 0.00 179.25 178.40 1myf h LEU 135 N 0.42 0.00 -1.02 0.00 4.07 -0.08 -2.85 115.31 115.85 1myf h LEU 135 Ca 0.28 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.19 1myf h LEU 135 Cb 0.30 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 1myf h LEU 135 CO -0.26 0.35 0.15 -0.08 -1.08 0.00 0.00 178.44 177.52 1myf h GLU 136 N 0.00 0.86 -0.25 1.13 4.81 0.24 0.89 114.58 122.27 1myf h GLU 136 Ca -0.00 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1myf h GLU 136 Cb 0.63 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1myf h GLU 136 CO 0.05 0.76 0.07 -0.07 -0.73 0.00 0.00 179.01 179.09 1myf h LEU 137 N 0.83 0.06 0.47 1.64 3.38 -1.00 0.21 115.31 120.90 1myf h LEU 137 Ca 0.19 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1myf h LEU 137 Cb 0.28 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1myf h LEU 137 CO -0.00 0.07 -0.27 0.15 0.09 0.00 0.00 178.44 178.47 1myf h PHE 138 N 0.18 -0.70 -0.56 1.13 3.57 -1.10 0.80 116.94 120.25 1myf h PHE 138 Ca 0.11 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.67 1myf h PHE 138 Cb 0.09 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 1myf h PHE 138 CO -0.14 -0.42 0.24 0.00 -2.23 0.00 0.00 178.31 175.77 1myf h ARG 139 N -0.69 0.44 -0.80 1.11 3.08 -0.76 -1.16 114.38 115.60 1myf h ARG 139 Ca -0.06 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1myf h ARG 139 Cb 0.56 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1myf h ARG 139 CO 0.07 0.29 0.38 -0.22 -1.07 0.00 0.00 179.97 179.42 1myf h LYS 140 N 0.45 1.16 0.36 0.04 1.63 -0.17 0.25 116.57 120.29 1myf h LYS 140 Ca 0.27 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1myf h LYS 140 Cb 0.26 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1myf h LYS 140 CO -0.23 0.90 -0.17 0.22 -3.45 0.00 0.00 179.45 176.72 1myf h ASP 141 N 1.14 -0.40 -0.97 4.20 1.82 0.29 -0.57 116.42 121.93 1myf h ASP 141 Ca 0.27 -0.08 0.04 0.00 -0.39 0.00 0.00 57.03 56.87 1myf h ASP 141 Cb 0.13 0.10 -0.06 0.00 0.68 0.00 0.00 39.33 40.19 1myf h ASP 141 CO -0.03 -0.16 0.63 0.40 -1.61 0.00 0.00 179.24 178.47 1myf h ILE 142 N -0.64 1.17 -0.40 2.25 2.04 -1.07 0.10 117.51 120.96 1myf h ILE 142 Ca -0.05 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1myf h ILE 142 Cb 0.46 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1myf h ILE 142 CO 0.08 0.22 0.26 0.00 0.00 0.00 0.00 178.15 178.72 1myf h ALA 143 N 1.40 0.51 -0.47 1.87 0.00 -0.34 0.27 119.26 122.50 1myf h ALA 143 Ca 0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1myf h ALA 143 Cb -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1myf h ALA 143 CO -0.12 -0.03 0.28 0.00 0.00 0.00 0.00 179.25 179.37 1myf h ALA 144 N 1.14 0.60 -0.63 0.00 0.00 -0.17 -0.65 119.26 119.55 1myf h ALA 144 Ca 0.15 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1myf h ALA 144 Cb -0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1myf h ALA 144 CO -0.03 0.09 0.37 0.87 0.00 0.00 0.00 179.25 180.55 1myf h LYS 145 N 0.62 0.70 -0.33 0.00 1.79 -0.24 -0.62 116.57 118.49 1myf h LYS 145 Ca 0.17 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1myf h LYS 145 Cb 0.00 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.46 1myf h LYS 145 CO -0.03 0.46 0.16 1.88 -1.08 0.00 0.00 179.45 180.84 1myf h TYR 146 N 0.72 0.29 -0.43 -1.35 -1.99 -0.01 0.17 116.97 114.36 1myf h TYR 146 Ca 0.26 0.01 0.01 0.00 2.00 0.00 0.00 58.73 61.02 1myf h TYR 146 Cb 0.07 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.69 1myf h TYR 146 CO -0.06 0.15 0.27 0.87 -0.00 0.00 0.00 178.16 179.39 1myf h LYS 147 N 0.33 0.53 -0.40 4.88 1.57 -0.67 0.44 116.57 123.26 1myf h LYS 147 Ca 0.14 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1myf h LYS 147 Cb 0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1myf h LYS 147 CO -0.10 0.35 0.24 0.93 -0.57 0.00 0.00 179.45 180.30 1myf h GLU 148 N 0.54 0.47 0.00 3.15 5.08 -0.22 -2.53 114.58 121.07 1myf h GLU 148 Ca 0.17 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1myf h GLU 148 Cb -0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1myf h GLU 148 CO -0.06 0.31 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.75 1myf h LEU 149 N 0.48 0.00 -0.14 1.33 3.38 -0.32 -3.48 115.31 116.57 1myf h LEU 149 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1myf h LEU 149 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1myf h LEU 149 CO -0.06 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1myf n GLY 150 N -0.20 0.67 3.01 0.83 0.00 0.12 -5.08 105.19 104.55 1myf n GLY 150 Ca -0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 1myf n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1myf s TYR 151 N -1.51 0.34 0.00 1.61 1.51 0.61 -5.00 117.35 114.92 1myf s TYR 151 Ca 0.00 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.37 1myf s TYR 151 Cb 0.00 -0.25 0.00 0.00 -0.11 0.00 0.00 41.96 41.60 1myf s TYR 151 CO 0.00 -0.24 0.00 1.04 -1.11 0.00 0.00 175.55 175.24 1myf n GLN 152 N 1.16 0.00 -0.38 -0.62 3.00 -1.26 -3.57 117.38 115.71 1myf n GLN 152 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 1myf n GLN 152 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.81 1myf n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47