#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 0.62 0.70 7.52 2.96 -1.26 -5.04 118.68 124.17 1myf s LEU 2 Ca 0.00 0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 54.24 1myf s LEU 2 Cb 0.00 0.63 0.02 0.00 0.50 0.00 0.00 46.19 47.34 1myf s LEU 2 CO 0.00 -0.15 1.08 -0.44 -1.32 0.00 0.00 176.35 175.52 1myf s SER 3 N 1.06 5.11 0.17 3.68 0.01 -1.26 -4.84 113.70 117.63 1myf s SER 3 Ca -0.08 1.78 -0.17 0.00 1.31 0.00 0.00 55.95 58.79 1myf s SER 3 Cb -0.09 -2.52 0.11 0.00 0.21 0.00 0.00 66.02 63.73 1myf s SER 3 CO -0.07 -1.63 1.65 -0.08 0.41 0.00 0.00 173.24 173.53 1myf h GLU 4 N -0.53 -0.05 -0.44 12.44 4.22 -1.99 -2.18 114.58 126.05 1myf h GLU 4 Ca -0.45 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.09 1myf h GLU 4 Cb 1.22 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.39 1myf h GLU 4 CO 0.55 -0.03 -0.26 0.78 -2.18 0.00 0.00 179.01 177.87 1myf h GLY 5 N -0.05 -0.02 1.00 1.92 0.00 -1.99 0.25 103.07 104.18 1myf h GLY 5 Ca 0.21 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 1myf h GLY 5 CO -0.47 -0.21 0.38 0.83 0.00 0.00 0.00 176.54 177.07 1myf h GLU 6 N -0.17 0.89 -0.57 4.80 3.07 -1.88 0.01 114.58 120.74 1myf h GLU 6 Ca 0.20 -0.09 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1myf h GLU 6 Cb 0.49 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 1myf h GLU 6 CO -0.54 0.64 0.35 -1.49 -1.40 0.00 0.00 179.01 176.58 1myf h TRP 7 N 0.88 0.67 -0.38 4.33 4.06 -0.58 0.81 115.95 125.74 1myf h TRP 7 Ca 0.23 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.20 1myf h TRP 7 Cb -0.01 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 27.92 1myf h TRP 7 CO -0.01 0.39 0.24 0.37 -3.56 0.00 0.00 178.44 175.87 1myf h GLN 8 N 0.71 0.50 0.09 0.49 4.15 0.14 0.71 115.11 121.90 1myf h GLN 8 Ca 0.22 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1myf h GLN 8 Cb -0.02 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1myf h GLN 8 CO -0.08 0.34 -0.12 1.25 -1.93 0.00 0.00 178.83 178.29 1myf h LEU 9 N 0.51 -0.32 -0.18 -2.39 5.85 -0.79 -0.32 115.31 117.67 1myf h LEU 9 Ca 0.14 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1myf h LEU 9 Cb -0.04 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 1myf h LEU 9 CO -0.03 -0.18 -0.31 0.58 -0.34 0.00 0.00 178.44 178.16 1myf h VAL 10 N -0.25 0.29 -0.62 1.05 2.07 -0.24 0.00 116.25 118.56 1myf h VAL 10 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1myf h VAL 10 Cb 0.25 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1myf h VAL 10 CO -0.06 0.00 0.37 -0.07 0.02 0.00 0.00 177.57 177.84 1myf h LEU 11 N -0.36 0.73 0.79 2.57 3.38 -0.72 0.22 115.31 121.91 1myf h LEU 11 Ca 0.11 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1myf h LEU 11 Cb 0.53 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1myf h LEU 11 CO -0.38 0.56 -0.38 0.45 0.09 0.00 0.00 178.44 178.78 1myf h HIS 12 N 0.84 -0.98 -0.45 1.13 3.86 0.72 0.79 115.15 121.07 1myf h HIS 12 Ca 0.22 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1myf h HIS 12 Cb -0.04 0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 1myf h HIS 12 CO 0.00 -0.60 0.28 -0.24 0.86 0.00 0.00 177.93 178.23 1myf h VAL 13 N -1.09 1.12 -0.26 2.45 3.04 -0.85 -0.42 116.25 120.24 1myf h VAL 13 Ca -0.11 -0.26 -0.07 0.00 -1.01 0.00 0.00 66.70 65.26 1myf h VAL 13 Cb 0.82 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 1myf h VAL 13 CO 0.18 0.13 -0.12 -0.25 -1.01 0.00 0.00 177.57 176.49 1myf h TRP 14 N 0.61 0.46 -0.56 3.17 2.91 -0.34 0.24 115.95 122.43 1myf h TRP 14 Ca 0.16 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.12 1myf h TRP 14 Cb -0.04 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 28.46 1myf h TRP 14 CO 0.00 0.54 0.37 0.00 -1.03 0.00 0.00 178.44 178.32 1myf h ALA 15 N 1.48 1.59 -0.40 2.65 0.00 0.90 0.86 119.26 126.34 1myf h ALA 15 Ca 0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1myf h ALA 15 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1myf h ALA 15 CO 0.03 0.38 -0.24 0.87 0.00 0.00 0.00 179.25 180.28 1myf h LYS 16 N 0.77 0.82 0.68 0.00 1.57 -0.37 0.30 116.57 120.34 1myf h LYS 16 Ca 0.21 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1myf h LYS 16 Cb -0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1myf h LYS 16 CO -0.04 0.98 -0.48 0.28 -0.57 0.00 0.00 179.45 179.62 1myf h VAL 17 N 0.71 0.00 -0.01 0.50 2.07 -0.32 -2.70 116.25 116.49 1myf h VAL 17 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1myf h VAL 17 Cb 0.78 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1myf h VAL 17 CO 0.06 0.00 0.01 -0.33 0.02 0.00 0.00 177.57 177.34 1myf h GLU 18 N -1.10 0.00 -0.41 1.57 5.08 -0.71 0.32 114.58 119.33 1myf h GLU 18 Ca -0.09 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1myf h GLU 18 Cb 0.90 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1myf h GLU 18 CO 0.06 0.00 0.32 0.00 -1.00 0.00 0.00 179.01 178.39 1myf h ALA 19 N 1.99 2.28 -2.06 3.43 0.00 -0.05 -2.79 119.26 122.07 1myf h ALA 19 Ca 0.01 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 1myf h ALA 19 Cb 0.03 0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.45 1myf h ALA 19 CO -0.00 -0.53 -1.05 -3.47 0.00 0.00 0.00 179.25 174.20 1myf n ASP 20 N -4.20 1.39 -0.03 0.00 2.03 0.06 -4.98 116.55 110.82 1myf n ASP 20 Ca 0.07 -3.05 -0.12 0.00 0.52 0.00 0.00 54.79 52.21 1myf n ASP 20 Cb 0.51 -0.62 -0.06 0.00 -0.72 0.00 0.00 41.12 40.23 1myf n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1myf h VAL 21 N 1.74 0.12 -0.49 5.18 2.07 -1.16 -0.52 116.25 123.18 1myf h VAL 21 Ca 0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.72 1myf h VAL 21 Cb 0.85 0.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.64 1myf h VAL 21 CO 0.56 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.83 1myf h ALA 22 N 0.13 -0.08 0.28 1.67 0.00 -1.89 0.35 119.26 119.72 1myf h ALA 22 Ca 0.08 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1myf h ALA 22 Cb 0.62 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1myf h ALA 22 CO -0.44 -0.68 -0.14 0.78 0.00 0.00 0.00 179.25 178.77 1myf h GLY 23 N -0.20 -0.40 0.64 0.00 0.00 -1.70 0.87 103.07 102.28 1myf h GLY 23 Ca 0.21 0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.72 1myf h GLY 23 CO -0.60 -0.14 0.01 0.45 0.00 0.00 0.00 176.54 176.25 1myf h HIS 24 N -0.41 0.00 -0.31 5.60 3.86 -0.78 0.10 115.15 123.22 1myf h HIS 24 Ca -0.04 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.26 1myf h HIS 24 Cb 0.31 0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.74 1myf h HIS 24 CO -0.05 -0.03 -0.24 0.78 0.86 0.00 0.00 177.93 179.26 1myf h GLY 25 N 0.09 -0.09 0.62 2.45 0.00 0.01 0.20 103.07 106.35 1myf h GLY 25 Ca 0.12 0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 1myf h GLY 25 CO -0.19 -0.20 -0.30 1.46 0.00 0.00 0.00 176.54 177.32 1myf h GLN 26 N -0.21 -0.80 -0.97 4.80 4.20 -0.22 -2.97 115.11 118.94 1myf h GLN 26 Ca 0.16 0.05 0.23 0.00 0.06 0.00 0.00 58.65 59.16 1myf h GLN 26 Cb 0.46 0.18 -0.18 0.00 0.30 0.00 0.00 27.48 28.23 1myf h GLN 26 CO -0.43 -0.53 -0.10 -3.47 -0.67 0.00 0.00 178.83 173.63 1myf n ASP 27 N -4.44 -0.22 0.22 1.46 -0.08 0.30 0.05 116.55 113.85 1myf n ASP 27 Ca -0.10 1.66 -0.15 0.00 -1.51 0.00 0.00 54.79 54.69 1myf n ASP 27 Cb 0.33 -0.56 -0.08 0.00 2.34 0.00 0.00 41.12 43.15 1myf n ASP 27 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1myf h ILE 28 N 0.00 0.59 -0.40 5.18 2.04 -0.58 0.26 117.51 124.60 1myf h ILE 28 Ca 0.53 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.30 1myf h ILE 28 Cb 0.99 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1myf h ILE 28 CO -0.95 0.00 -0.15 -0.07 0.00 0.00 0.00 178.15 176.97 1myf h LEU 29 N -0.53 0.73 -0.26 1.44 3.38 -0.77 0.11 115.31 119.41 1myf h LEU 29 Ca -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1myf h LEU 29 Cb 0.42 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1myf h LEU 29 CO 0.07 0.89 0.13 0.40 0.09 0.00 0.00 178.44 180.02 1myf h ILE 30 N 0.66 1.13 -0.25 1.22 2.04 -0.01 0.95 117.51 123.26 1myf h ILE 30 Ca 0.11 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1myf h ILE 30 Cb 0.63 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1myf h ILE 30 CO 0.04 0.13 0.00 -0.09 0.00 0.00 0.00 178.15 178.23 1myf h ARG 31 N 0.29 0.43 0.54 2.37 9.65 -0.10 0.08 114.38 127.65 1myf h ARG 31 Ca 0.09 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1myf h ARG 31 Cb 0.09 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1myf h ARG 31 CO -0.01 0.61 -0.50 1.25 2.80 0.00 0.00 179.97 184.12 1myf h LEU 32 N 0.21 -1.34 -0.26 3.80 5.85 -0.49 0.22 115.31 123.30 1myf h LEU 32 Ca 0.07 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.96 1myf h LEU 32 Cb 0.41 0.44 -0.07 0.00 0.37 0.00 0.00 40.66 41.80 1myf h LEU 32 CO 0.01 -0.67 -0.28 -0.26 -0.34 0.00 0.00 178.44 176.90 1myf h PHE 33 N -1.02 -0.76 -0.60 1.25 0.04 -0.78 0.13 116.94 115.20 1myf h PHE 33 Ca -0.07 0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.67 1myf h PHE 33 Cb 0.87 0.37 -0.03 0.00 2.20 0.00 0.00 35.95 39.37 1myf h PHE 33 CO -0.23 -0.35 0.09 -0.22 -0.60 0.00 0.00 178.31 177.00 1myf h LYS 34 N -0.28 0.97 0.10 1.51 3.64 -0.69 -3.22 116.57 118.60 1myf h LYS 34 Ca 0.14 -0.24 -0.27 0.00 -1.27 0.00 0.00 60.65 59.00 1myf h LYS 34 Cb 0.50 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1myf h LYS 34 CO -0.42 0.90 -1.30 0.77 -2.27 0.00 0.00 179.45 177.13 1myf h SER 35 N 0.91 0.34 -3.41 4.20 0.02 -0.28 -3.46 113.55 111.87 1myf h SER 35 Ca 0.18 -0.39 -0.43 0.00 -0.84 0.00 0.00 61.79 60.32 1myf h SER 35 Cb 0.41 -0.11 -0.35 0.00 0.14 0.00 0.00 62.40 62.49 1myf h SER 35 CO 0.01 1.31 -0.78 -1.00 -1.14 0.00 0.00 176.83 175.24 1myf s HIS 36 N -2.65 0.82 0.52 3.45 3.76 0.42 -5.07 115.29 116.53 1myf s HIS 36 Ca -0.04 -0.25 -0.09 0.00 -0.15 0.00 0.00 55.06 54.52 1myf s HIS 36 Cb 0.07 -0.75 0.12 0.00 1.11 0.00 0.00 32.58 33.14 1myf s HIS 36 CO 0.86 -0.24 0.58 -0.35 -0.85 0.00 0.00 174.74 174.74 1myf n PRO 37 N 4.26 -1.26 0.00 8.40 -0.04 -1.26 -4.13 135.00 140.97 1myf n PRO 37 Ca -0.21 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1myf n PRO 37 Cb 0.51 -0.71 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 1myf n PRO 37 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1myf n GLU 38 N -2.68 0.00 -0.31 0.54 1.02 -1.26 -4.71 120.64 113.24 1myf n GLU 38 Ca 0.08 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1myf n GLU 38 Cb 0.28 -0.01 0.06 0.00 -0.02 0.00 0.00 31.44 31.74 1myf n GLU 38 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1myf h THR 39 N 0.00 0.09 -0.95 2.62 1.35 -1.94 0.16 112.91 114.25 1myf h THR 39 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.90 1myf h THR 39 Cb 0.00 0.09 -0.06 0.00 -1.73 0.00 0.00 68.15 66.46 1myf h THR 39 CO 0.00 0.00 0.62 0.25 -0.25 0.00 0.00 175.52 176.14 1myf h LEU 40 N -0.04 1.03 -1.77 3.87 5.85 -1.84 -1.45 115.31 120.96 1myf h LEU 40 Ca 0.34 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1myf h LEU 40 Cb 0.60 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1myf h LEU 40 CO -0.87 0.71 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.55 1myf h GLU 41 N 1.20 0.00 -0.48 1.25 3.07 -0.90 -2.90 114.58 115.82 1myf h GLU 41 Ca 0.38 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 1myf h GLU 41 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1myf h GLU 41 CO -0.12 0.05 0.27 0.87 -1.40 0.00 0.00 179.01 178.67 1myf h LYS 42 N 0.00 0.67 -1.99 2.33 1.79 -0.67 -2.33 116.57 116.37 1myf h LYS 42 Ca -0.00 -0.08 -0.26 0.00 -2.18 0.00 0.00 60.65 58.13 1myf h LYS 42 Cb 0.42 -0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 30.85 1myf h LYS 42 CO 0.01 0.52 -0.16 1.19 -1.08 0.00 0.00 179.45 179.93 1myf n PHE 43 N -4.67 0.43 0.00 -1.35 3.01 -1.16 -4.82 117.46 108.90 1myf n PHE 43 Ca 0.02 -1.59 0.00 0.00 1.01 0.00 0.00 57.45 56.88 1myf n PHE 43 Cb 0.08 -1.48 0.00 0.00 -0.01 0.00 0.00 39.48 38.07 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 2.00 0.00 0.00 4.37 2.03 -0.88 -0.55 116.55 123.52 1myf n ASP 44 Ca 0.42 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.73 1myf n ASP 44 Cb 0.80 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.20 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 0.00 -4.00 -0.67 3.00 -1.21 -4.42 116.66 109.36 1myf n ARG 45 Ca 0.00 -0.01 -0.28 0.00 -0.00 0.00 0.00 57.85 57.56 1myf n ARG 45 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 32.46 32.43 1myf n ARG 45 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1myf n PHE 46 N 0.00 -1.77 -1.52 -0.14 -0.00 0.29 -4.68 117.46 109.65 1myf n PHE 46 Ca 0.00 0.79 -0.13 0.00 -0.00 0.00 0.00 57.45 58.10 1myf n PHE 46 Cb 0.35 -3.63 -0.10 0.00 -0.00 0.00 0.00 39.48 36.10 1myf n PHE 46 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1myf n LYS 47 N -4.42 0.31 0.00 -4.13 4.81 -1.26 -1.71 118.16 111.76 1myf n LYS 47 Ca -0.17 -0.93 0.00 0.00 -0.87 0.00 0.00 58.31 56.34 1myf n LYS 47 Cb 0.62 -3.23 0.00 0.00 0.02 0.00 0.00 35.03 32.44 1myf n LYS 47 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1myf n HIS 48 N 16.41 0.00 -1.36 5.64 1.44 -1.26 -5.05 115.22 131.04 1myf n HIS 48 Ca 0.45 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.75 1myf n HIS 48 Cb 0.41 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.49 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 5.72 0.03 2.39 4.77 -0.69 -4.60 117.00 124.62 1myf n LEU 49 Ca 0.00 -3.53 -0.19 0.00 -0.03 0.00 0.00 56.01 52.26 1myf n LEU 49 Cb 0.00 -1.37 -0.13 0.00 -2.33 0.00 0.00 43.42 39.58 1myf n LEU 49 CO 0.00 0.55 0.12 0.11 -1.33 0.00 0.00 177.39 176.84 1myf h LYS 50 N 6.71 0.35 -6.09 3.23 1.79 -1.96 -3.46 116.57 117.13 1myf h LYS 50 Ca 0.53 -0.49 -0.67 0.00 -2.18 0.00 0.00 60.65 57.84 1myf h LYS 50 Cb 0.57 0.17 -0.13 0.00 -1.58 0.00 0.00 32.23 31.26 1myf h LYS 50 CO 1.87 1.19 -0.62 0.95 -1.08 0.00 0.00 179.45 181.76 1myf s THR 51 N -2.73 4.31 -0.97 -0.16 -4.23 -1.26 -5.01 115.64 105.59 1myf s THR 51 Ca -0.13 -0.50 -0.18 0.00 -1.18 0.00 0.00 61.69 59.70 1myf s THR 51 Cb 0.02 -2.92 -0.10 0.00 1.34 0.00 0.00 72.50 70.84 1myf s THR 51 CO 0.83 0.41 2.05 -0.62 -0.54 0.00 0.00 174.62 176.75 1myf n GLU 52 N 1.46 1.95 0.00 3.99 -0.58 -1.26 -2.61 120.64 123.59 1myf n GLU 52 Ca -0.15 -1.97 0.00 0.00 -0.42 0.00 0.00 57.16 54.62 1myf n GLU 52 Cb 0.53 -2.94 0.00 0.00 -0.57 0.00 0.00 31.44 28.46 1myf n GLU 52 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1myf n ALA 53 N 6.62 0.00 -0.29 0.62 0.00 -1.26 -4.94 120.51 121.26 1myf n ALA 53 Ca 0.50 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.09 1myf n ALA 53 Cb 0.36 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.22 1myf n ALA 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1myf h GLU 54 N 0.00 0.61 -0.97 0.00 5.08 -1.89 -1.00 114.58 116.40 1myf h GLU 54 Ca 0.00 -0.04 0.31 0.00 -1.00 0.00 0.00 59.36 58.63 1myf h GLU 54 Cb 0.00 -0.14 -0.16 0.00 0.50 0.00 0.00 28.75 28.96 1myf h GLU 54 CO 0.00 0.40 0.42 0.52 -1.00 0.00 0.00 179.01 179.35 1myf h MET 55 N 0.62 0.20 -0.86 2.33 2.86 -1.93 0.87 114.93 119.02 1myf h MET 55 Ca 0.49 -0.01 0.15 0.00 -2.06 0.00 0.00 59.70 58.27 1myf h MET 55 Cb 0.92 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.47 1myf h MET 55 CO -0.24 0.13 0.56 -0.22 1.06 0.00 0.00 176.91 178.20 1myf h LYS 56 N 0.21 0.58 -0.06 1.72 3.64 -1.57 -1.62 116.57 119.47 1myf h LYS 56 Ca 0.69 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 60.03 1myf h LYS 56 Cb 1.58 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 1myf h LYS 56 CO -0.68 0.38 -0.10 0.00 -2.27 0.00 0.00 179.45 176.78 1myf n ALA 57 N -2.46 2.75 -2.59 5.00 0.00 0.22 -5.01 120.51 118.42 1myf n ALA 57 Ca 0.17 -2.75 -0.43 0.00 0.00 0.00 0.00 53.44 50.44 1myf n ALA 57 Cb 0.51 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.80 6.54 0.22 0.00 0.01 -0.61 -4.90 113.70 112.16 1myf s SER 58 Ca 0.35 0.24 -0.03 0.00 1.31 0.00 0.00 55.95 57.82 1myf s SER 58 Cb 0.31 -2.52 0.21 0.00 0.21 0.00 0.00 66.02 64.23 1myf s SER 58 CO 0.02 -1.25 1.62 -0.33 0.41 0.00 0.00 173.24 173.71 1myf h GLU 59 N 9.27 0.70 -0.37 12.44 5.08 -1.91 0.21 114.58 140.01 1myf h GLU 59 Ca -0.24 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 57.74 1myf h GLU 59 Cb 1.06 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1myf h GLU 59 CO 1.11 0.90 -0.08 0.22 -1.00 0.00 0.00 179.01 180.16 1myf h ASP 60 N 0.60 0.71 0.12 1.42 3.58 -1.98 0.18 116.42 121.05 1myf h ASP 60 Ca 0.08 -0.36 0.01 0.00 0.42 0.00 0.00 57.03 57.17 1myf h ASP 60 Cb 0.78 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1myf h ASP 60 CO 0.06 0.90 -0.16 0.25 -2.88 0.00 0.00 179.24 177.42 1myf h LEU 61 N 0.50 -0.43 0.58 2.28 6.46 -1.90 0.32 115.31 123.12 1myf h LEU 61 Ca 0.09 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1myf h LEU 61 Cb 0.59 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1myf h LEU 61 CO 0.04 -0.23 -0.37 0.50 -0.62 0.00 0.00 178.44 177.75 1myf h LYS 62 N -0.33 -0.87 -0.66 1.25 3.64 -0.79 0.35 116.57 119.16 1myf h LYS 62 Ca 0.01 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.59 1myf h LYS 62 Cb 0.33 0.20 -0.10 0.00 -0.41 0.00 0.00 32.23 32.25 1myf h LYS 62 CO -0.07 -0.58 0.13 -0.22 -2.27 0.00 0.00 179.45 176.44 1myf h LYS 63 N -0.91 0.24 -0.03 1.90 3.11 -0.47 0.79 116.57 121.19 1myf h LYS 63 Ca -0.07 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.75 1myf h LYS 63 Cb 0.74 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.92 1myf h LYS 63 CO 0.06 0.16 -0.00 1.25 -2.81 0.00 0.00 179.45 178.10 1myf h HIS 64 N 0.24 0.06 -0.95 1.91 2.76 -0.61 -1.04 115.15 117.53 1myf h HIS 64 Ca 0.36 -0.01 0.23 0.00 -2.20 0.00 0.00 60.37 58.75 1myf h HIS 64 Cb 0.58 -0.02 -0.12 0.00 1.55 0.00 0.00 27.41 29.40 1myf h HIS 64 CO -0.27 0.36 0.49 0.78 -1.30 0.00 0.00 177.93 177.99 1myf h GLY 65 N -0.25 1.72 0.75 5.26 0.00 0.21 0.25 103.07 111.01 1myf h GLY 65 Ca 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1myf h GLY 65 CO 0.00 -0.25 -0.04 -2.08 0.00 0.00 0.00 176.54 174.17 1myf h VAL 66 N 0.49 1.08 -0.49 4.60 2.07 -0.77 0.81 116.25 124.05 1myf h VAL 66 Ca 0.60 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 67.65 1myf h VAL 66 Cb 1.13 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 32.27 1myf h VAL 66 CO -0.50 0.14 0.06 0.74 0.02 0.00 0.00 177.57 178.03 1myf h THR 67 N -0.36 0.68 0.59 2.57 2.02 0.52 0.14 112.91 119.06 1myf h THR 67 Ca -0.01 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1myf h THR 67 Cb 0.31 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1myf h THR 67 CO 0.02 0.03 -0.28 0.58 0.37 0.00 0.00 175.52 176.24 1myf h VAL 68 N 0.18 0.37 -0.41 3.16 2.07 -0.54 0.61 116.25 121.68 1myf h VAL 68 Ca 0.25 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1myf h VAL 68 Cb 0.35 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1myf h VAL 68 CO -0.36 0.03 0.02 -0.07 0.02 0.00 0.00 177.57 177.21 1myf h LEU 69 N -0.92 -0.13 -0.77 2.57 3.38 -0.59 -0.97 115.31 117.88 1myf h LEU 69 Ca -0.08 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1myf h LEU 69 Cb 0.65 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1myf h LEU 69 CO 0.13 -0.03 0.45 0.74 0.09 0.00 0.00 178.44 179.82 1myf h THR 70 N 0.13 1.22 0.70 0.22 2.02 -0.54 0.39 112.91 117.06 1myf h THR 70 Ca 0.20 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1myf h THR 70 Cb 0.28 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1myf h THR 70 CO -0.32 0.24 -0.34 0.00 0.37 0.00 0.00 175.52 175.47 1myf h ALA 71 N 1.24 -0.94 -1.00 6.16 0.00 -0.19 0.12 119.26 124.64 1myf h ALA 71 Ca 0.28 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1myf h ALA 71 Cb -0.01 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1myf h ALA 71 CO -0.05 -1.01 0.65 1.25 0.00 0.00 0.00 179.25 180.09 1myf h LEU 72 N -0.98 1.08 -0.61 0.00 5.85 -1.08 -2.63 115.31 116.93 1myf h LEU 72 Ca -0.10 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1myf h LEU 72 Cb 0.73 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1myf h LEU 72 CO 0.16 0.72 0.32 1.23 -0.34 0.00 0.00 178.44 180.53 1myf h GLY 73 N 1.24 0.89 0.93 3.75 0.00 -0.02 -0.32 103.07 109.54 1myf h GLY 73 Ca 0.40 -0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.58 1myf h GLY 73 CO -0.14 0.11 0.56 0.00 0.00 0.00 0.00 176.54 177.07 1myf h ALA 74 N 1.34 1.55 0.20 3.60 0.00 -0.59 0.18 119.26 125.54 1myf h ALA 74 Ca 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1myf h ALA 74 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1myf h ALA 74 CO -0.20 0.33 -0.10 0.82 0.00 0.00 0.00 179.25 180.11 1myf h ILE 75 N 0.97 0.89 -0.59 0.00 1.08 -1.02 -3.06 117.51 115.78 1myf h ILE 75 Ca 0.36 -0.69 0.10 0.00 -0.39 0.00 0.00 64.86 64.24 1myf h ILE 75 Cb 0.18 1.29 -0.08 0.00 -3.07 0.00 0.00 36.82 35.13 1myf h ILE 75 CO -0.13 0.15 0.16 -0.07 -0.69 0.00 0.00 178.15 177.57 1myf h LEU 76 N -0.63 0.07 -0.82 1.44 3.38 -0.65 -2.33 115.31 115.77 1myf h LEU 76 Ca -0.03 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.15 1myf h LEU 76 Cb 0.46 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 1myf h LEU 76 CO 0.05 0.05 0.45 0.11 0.09 0.00 0.00 178.44 179.18 1myf h LYS 77 N 0.30 0.70 -3.25 1.13 1.79 -0.59 -2.63 116.57 114.03 1myf h LYS 77 Ca 0.31 -0.04 -0.70 0.00 -2.18 0.00 0.00 60.65 58.03 1myf h LYS 77 Cb 0.43 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1myf h LYS 77 CO -0.36 0.46 3.24 1.63 -1.08 0.00 0.00 179.45 183.34 1myf n LYS 78 N -4.79 3.63 -0.88 3.15 4.01 -0.88 -4.89 118.16 117.51 1myf n LYS 78 Ca 0.14 -2.66 0.00 0.00 -0.51 0.00 0.00 58.31 55.28 1myf n LYS 78 Cb 0.32 -2.91 0.00 0.00 -0.51 0.00 0.00 35.03 31.93 1myf n LYS 78 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1myf n LYS 79 N 3.95 0.00 -0.59 1.97 2.85 -0.99 -0.72 118.16 124.63 1myf n LYS 79 Ca 0.65 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 1myf n LYS 79 Cb 0.29 -0.88 0.00 0.00 -0.65 0.00 0.00 35.03 33.79 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 3.42 0.79 2.31 2.58 0.00 -1.26 -4.96 105.19 108.07 1myf n GLY 80 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.01 0.94 -0.05 1.61 1.44 0.11 -4.91 115.22 112.36 1myf n HIS 81 Ca 0.00 -3.78 -0.03 0.00 -2.01 0.00 0.00 57.72 51.89 1myf n HIS 81 Cb 0.00 -0.42 -0.01 0.00 0.12 0.00 0.00 29.99 29.68 1myf n HIS 81 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1myf n HIS 82 N 0.79 0.42 0.00 -1.40 -0.00 -1.24 -4.84 115.22 108.95 1myf n HIS 82 Ca 0.25 0.18 0.00 0.00 -0.00 0.00 0.00 57.72 58.15 1myf n HIS 82 Cb 0.53 -0.50 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 1myf n HIS 82 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1myf n GLU 83 N -3.69 0.00 -0.28 -0.41 4.71 -1.26 -4.63 120.64 115.08 1myf n GLU 83 Ca -0.05 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.15 1myf n GLU 83 Cb 0.20 -0.54 0.20 0.00 -1.01 0.00 0.00 31.44 30.29 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 1.20 -3.30 0.62 0.00 -2.03 -3.48 119.26 112.27 1myf h ALA 84 Ca 0.00 0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.32 1myf h ALA 84 Cb 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.58 1myf h ALA 84 CO 0.00 -0.06 -1.14 0.39 0.00 0.00 0.00 179.25 178.44 1myf n GLU 85 N -4.85 -3.13 -0.47 0.00 4.71 -1.26 -4.55 120.64 111.09 1myf n GLU 85 Ca 0.15 2.52 -0.03 0.00 -0.01 0.00 0.00 57.16 59.80 1myf n GLU 85 Cb 0.38 -3.67 -0.04 0.00 -1.01 0.00 0.00 31.44 27.10 1myf n GLU 85 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1myf n LEU 86 N -4.22 3.76 0.06 -4.62 7.99 -1.26 -4.73 117.00 113.98 1myf n LEU 86 Ca -0.08 -1.92 -0.05 0.00 -0.01 0.00 0.00 56.01 53.95 1myf n LEU 86 Cb 0.65 -0.86 -0.03 0.00 -0.11 0.00 0.00 43.42 43.07 1myf n LEU 86 CO 0.03 0.82 0.51 0.11 -1.51 0.00 0.00 177.39 177.35 1myf h LYS 87 N 2.51 -0.25 -0.11 3.23 6.56 -1.96 0.23 116.57 126.78 1myf h LYS 87 Ca 0.04 0.02 -0.09 0.00 -1.06 0.00 0.00 60.65 59.56 1myf h LYS 87 Cb 0.82 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.53 1myf h LYS 87 CO 0.10 -0.16 -0.34 -1.00 -2.06 0.00 0.00 179.45 175.99 1myf h PRO 88 N -0.26 0.21 -0.31 3.15 0.13 -1.97 -0.71 132.00 132.24 1myf h PRO 88 Ca -0.01 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 1myf h PRO 88 Cb 0.24 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 1myf h PRO 88 CO -0.05 0.53 -0.06 1.25 -0.23 0.00 0.00 178.00 179.43 1myf h LEU 89 N 0.18 0.59 0.04 1.56 6.46 -1.91 0.44 115.31 122.67 1myf h LEU 89 Ca 0.02 -0.36 -0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1myf h LEU 89 Cb 0.69 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1myf h LEU 89 CO 0.05 0.81 -0.02 0.00 -0.62 0.00 0.00 178.44 178.66 1myf h ALA 90 N 0.80 -0.05 -0.40 1.25 0.00 -0.38 -1.22 119.26 119.26 1myf h ALA 90 Ca 0.08 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1myf h ALA 90 Cb 0.54 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1myf h ALA 90 CO 0.03 -0.48 -0.15 0.37 0.00 0.00 0.00 179.25 179.02 1myf h GLN 91 N -0.15 -0.07 0.93 0.00 4.15 -0.99 0.33 115.11 119.31 1myf h GLN 91 Ca -0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1myf h GLN 91 Cb 0.13 0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.85 1myf h GLN 91 CO 0.01 -0.04 -0.45 0.66 -1.93 0.00 0.00 178.83 177.08 1myf h SER 92 N -0.07 -1.05 -0.68 -0.69 4.64 -0.80 0.01 113.55 114.91 1myf h SER 92 Ca 0.19 0.04 0.18 0.00 -0.47 0.00 0.00 61.79 61.73 1myf h SER 92 Cb 0.37 0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 1myf h SER 92 CO -0.45 -0.75 0.48 0.45 -0.87 0.00 0.00 176.83 175.69 1myf h HIS 93 N -1.26 0.14 0.00 4.77 3.86 -1.00 0.25 115.15 121.91 1myf h HIS 93 Ca -0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1myf h HIS 93 Cb 0.95 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1myf h HIS 93 CO 0.02 0.05 0.00 0.00 0.86 0.00 0.00 177.93 178.86 1myf n ALA 94 N -2.62 -0.19 -0.08 2.45 0.00 0.12 -2.14 120.51 118.03 1myf n ALA 94 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 1myf n ALA 94 Cb 0.67 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.07 1myf n ALA 94 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1myf h THR 95 N 0.00 1.30 0.00 0.00 1.35 -0.90 -2.17 112.91 112.49 1myf h THR 95 Ca 0.00 -1.59 -0.35 0.00 -0.55 0.00 0.00 66.41 63.93 1myf h THR 95 Cb 0.00 1.65 -0.05 0.00 -1.73 0.00 0.00 68.15 68.02 1myf h THR 95 CO 0.00 0.51 -1.99 1.17 -0.25 0.00 0.00 175.52 174.96 1myf n LYS 96 N -4.17 0.57 -0.54 4.72 4.81 0.73 -4.56 118.16 119.72 1myf n LYS 96 Ca -0.04 0.35 -0.04 0.00 -0.87 0.00 0.00 58.31 57.71 1myf n LYS 96 Cb 0.54 -1.56 0.15 0.00 0.02 0.00 0.00 35.03 34.18 1myf n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1myf n HIS 97 N -4.33 1.32 -2.92 5.64 -0.00 -0.33 -4.92 115.22 109.68 1myf n HIS 97 Ca -0.43 -0.77 -0.06 0.00 -0.00 0.00 0.00 57.72 56.45 1myf n HIS 97 Cb 0.78 -0.46 0.01 0.00 -0.00 0.00 0.00 29.99 30.32 1myf n HIS 97 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1myf n LYS 98 N -0.01 -2.08 0.00 -0.41 4.01 -1.08 -4.86 118.16 113.73 1myf n LYS 98 Ca 0.22 1.94 0.00 0.00 -0.51 0.00 0.00 58.31 59.97 1myf n LYS 98 Cb 0.92 -5.68 0.00 0.00 -0.51 0.00 0.00 35.03 29.75 1myf n LYS 98 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1myf n ILE 99 N -0.72 0.00 -0.21 -0.18 -5.35 -0.82 -4.86 119.36 107.22 1myf n ILE 99 Ca 0.08 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.50 1myf n ILE 99 Cb 0.47 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.35 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 0.18 6.28 -0.02 -1.26 -4.72 135.00 135.46 1myf n PRO 100 Ca 0.00 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.66 1myf n PRO 100 Cb 0.00 -0.22 0.75 0.00 -0.02 0.00 0.00 33.50 34.01 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 1.14 0.22 -1.01 4.25 2.04 -1.33 -1.08 117.51 121.73 1myf h ILE 101 Ca -0.01 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.09 1myf h ILE 101 Cb 0.19 0.62 -0.10 0.00 -0.74 0.00 0.00 36.82 36.80 1myf h ILE 101 CO 0.20 0.00 0.64 0.50 0.00 0.00 0.00 178.15 179.49 1myf h LYS 102 N 0.00 0.47 -0.48 2.37 3.64 -1.87 0.43 116.57 121.13 1myf h LYS 102 Ca 0.12 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1myf h LYS 102 Cb 1.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1myf h LYS 102 CO -0.00 0.31 0.32 1.88 -2.27 0.00 0.00 179.45 179.69 1myf h TYR 103 N 0.48 0.58 0.00 1.91 0.05 -1.55 -0.99 116.97 117.45 1myf h TYR 103 Ca 0.58 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.36 1myf h TYR 103 Cb 1.32 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.87 1myf h TYR 103 CO -0.00 0.36 -0.06 -0.07 -1.05 0.00 0.00 178.16 177.34 1myf h LEU 104 N 0.62 0.00 -1.11 3.88 3.38 -0.34 -0.44 115.31 121.30 1myf h LEU 104 Ca 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 1myf h LEU 104 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1myf h LEU 104 CO -0.04 0.06 -0.41 -0.33 0.09 0.00 0.00 178.44 177.81 1myf h GLU 105 N 0.00 0.08 -0.16 1.13 5.08 -1.18 0.80 114.58 120.33 1myf h GLU 105 Ca -0.00 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1myf h GLU 105 Cb 0.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1myf h GLU 105 CO 0.01 0.47 -0.50 0.74 -1.00 0.00 0.00 179.01 178.73 1myf h PHE 106 N 0.06 0.82 0.00 4.33 0.04 -1.07 -2.46 116.94 118.66 1myf h PHE 106 Ca 0.00 -0.33 -0.07 0.00 2.80 0.00 0.00 57.97 60.38 1myf h PHE 106 Cb 0.75 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1myf h PHE 106 CO 0.00 1.11 -0.33 0.97 -0.60 0.00 0.00 178.31 179.46 1myf h ILE 107 N 0.29 1.03 0.03 -0.55 2.10 -1.27 -2.03 117.51 117.10 1myf h ILE 107 Ca -0.02 -1.22 0.02 0.00 1.08 0.00 0.00 64.86 64.72 1myf h ILE 107 Cb 1.12 1.70 -0.02 0.00 -1.09 0.00 0.00 36.82 38.53 1myf h ILE 107 CO 0.11 0.32 -0.13 0.28 -1.08 0.00 0.00 178.15 177.65 1myf h SER 108 N 0.00 -0.38 -0.60 2.19 0.02 -0.71 0.13 113.55 114.20 1myf h SER 108 Ca -0.00 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 61.11 1myf h SER 108 Cb 0.67 0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.29 1myf h SER 108 CO 0.04 -0.19 0.17 -0.33 -1.14 0.00 0.00 176.83 175.38 1myf h GLU 109 N -0.24 0.31 0.62 3.45 5.08 -1.16 -0.33 114.58 122.31 1myf h GLU 109 Ca 0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1myf h GLU 109 Cb 0.28 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1myf h GLU 109 CO -0.11 0.21 -0.41 0.00 -1.00 0.00 0.00 179.01 177.70 1myf h ALA 110 N 1.45 -1.01 -0.86 3.43 0.00 -0.77 0.12 119.26 121.64 1myf h ALA 110 Ca 0.31 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1myf h ALA 110 Cb 0.44 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1myf h ALA 110 CO -0.36 -1.09 0.57 -0.84 0.00 0.00 0.00 179.25 177.53 1myf h ILE 111 N -0.97 1.21 -0.45 0.00 3.07 -0.43 0.16 117.51 120.09 1myf h ILE 111 Ca -0.07 -0.39 0.00 0.00 1.55 0.00 0.00 64.86 65.94 1myf h ILE 111 Cb 0.80 -0.04 -0.02 0.00 -0.27 0.00 0.00 36.82 37.28 1myf h ILE 111 CO 0.06 0.21 0.29 0.40 -1.05 0.00 0.00 178.15 178.06 1myf h ILE 112 N 1.15 1.12 -0.54 0.16 2.04 -0.95 0.28 117.51 120.77 1myf h ILE 112 Ca 0.32 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 1myf h ILE 112 Cb -0.11 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1myf h ILE 112 CO -0.08 0.12 0.23 -0.74 0.00 0.00 0.00 178.15 177.68 1myf h HIS 113 N 0.61 0.80 -0.17 1.37 2.76 0.85 0.39 115.15 121.77 1myf h HIS 113 Ca 0.17 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1myf h HIS 113 Cb -0.06 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 1myf h HIS 113 CO -0.04 0.65 0.11 0.28 -1.30 0.00 0.00 177.93 177.63 1myf h VAL 114 N 0.72 1.04 -0.45 5.26 2.07 -0.06 0.14 116.25 124.98 1myf h VAL 114 Ca 0.18 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1myf h VAL 114 Cb 0.17 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1myf h VAL 114 CO -0.02 0.04 0.19 -0.07 0.02 0.00 0.00 177.57 177.73 1myf h LEU 115 N 0.23 0.24 -0.64 2.57 3.38 -0.72 0.21 115.31 120.58 1myf h LEU 115 Ca 0.06 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1myf h LEU 115 Cb -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 1myf h LEU 115 CO -0.01 0.18 0.32 -0.74 0.09 0.00 0.00 178.44 178.27 1myf h HIS 116 N 0.38 0.57 0.15 1.13 2.76 -0.46 0.15 115.15 119.83 1myf h HIS 116 Ca 0.20 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 1myf h HIS 116 Cb 0.16 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1myf h HIS 116 CO -0.13 0.23 -0.07 0.77 -1.30 0.00 0.00 177.93 177.43 1myf h SER 117 N 0.57 -0.17 0.84 3.26 0.02 0.39 -3.24 113.55 115.22 1myf h SER 117 Ca 0.31 -0.37 -0.23 0.00 -0.84 0.00 0.00 61.79 60.66 1myf h SER 117 Cb 0.28 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1myf h SER 117 CO -0.23 0.39 -1.23 0.03 -1.14 0.00 0.00 176.83 174.65 1myf h ARG 118 N -0.86 0.00 -1.16 3.45 3.08 -0.66 -3.40 114.38 114.84 1myf h ARG 118 Ca -0.02 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.57 1myf h ARG 118 Cb 0.53 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.17 1myf h ARG 118 CO 0.03 0.72 -0.97 0.72 -1.07 0.00 0.00 179.97 179.40 1myf n HIS 119 N -3.20 2.21 -0.16 3.04 8.25 0.51 -4.89 115.22 120.98 1myf n HIS 119 Ca -0.06 -2.84 -0.05 0.00 -0.26 0.00 0.00 57.72 54.50 1myf n HIS 119 Cb 0.95 -0.24 0.04 0.00 1.12 0.00 0.00 29.99 31.86 1myf n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1myf h PRO 120 N 2.74 0.54 0.00 -0.41 0.13 -1.58 -1.01 132.00 132.42 1myf h PRO 120 Ca 0.09 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1myf h PRO 120 Cb 1.10 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1myf h PRO 120 CO 0.64 0.36 0.13 0.41 -0.23 0.00 0.00 178.00 179.31 1myf n GLY 121 N -1.24 -0.54 0.69 1.56 0.00 -1.26 -1.23 105.19 103.18 1myf n GLY 121 Ca 0.04 0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1myf n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1myf n ASP 122 N -1.71 0.79 -2.63 1.61 2.03 -0.49 -5.08 116.55 111.07 1myf n ASP 122 Ca -0.00 -2.34 -0.13 0.00 0.52 0.00 0.00 54.79 52.83 1myf n ASP 122 Cb 0.14 -0.29 -0.04 0.00 -0.72 0.00 0.00 41.12 40.20 1myf n ASP 122 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1myf n PHE 123 N -0.21 -0.15 -0.26 -0.67 7.35 -0.36 -4.84 117.46 118.32 1myf n PHE 123 Ca 0.06 -1.57 0.00 0.00 -0.76 0.00 0.00 57.45 55.17 1myf n PHE 123 Cb 0.80 0.07 0.00 0.00 0.35 0.00 0.00 39.48 40.70 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 0.13 0.49 3.04 7.13 0.00 -1.26 -4.88 105.19 109.84 1myf n GLY 124 Ca -0.00 -1.68 -0.54 0.00 0.00 0.00 0.00 46.02 43.80 1myf n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myf n ALA 125 N 0.87 -1.81 0.00 4.61 0.00 -1.26 -0.71 120.51 122.21 1myf n ALA 125 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1myf n ALA 125 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1myf n ALA 125 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1myf n ASP 126 N 2.61 0.00 -0.19 0.00 2.03 -1.26 -4.58 116.55 115.16 1myf n ASP 126 Ca 0.23 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.50 1myf n ASP 126 Cb -0.01 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.46 1myf n ASP 126 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1myf h ALA 127 N 0.00 0.74 -0.61 -1.67 0.00 -1.43 0.25 119.26 116.54 1myf h ALA 127 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1myf h ALA 127 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1myf h ALA 127 CO 0.00 -0.02 0.40 -0.56 0.00 0.00 0.00 179.25 179.07 1myf h GLN 128 N 0.58 0.79 -0.35 0.00 -0.00 -1.17 -0.41 115.11 114.55 1myf h GLN 128 Ca 0.25 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.81 1myf h GLN 128 Cb 0.14 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.48 27.42 1myf h GLN 128 CO -0.16 0.52 0.05 0.78 -0.00 0.00 0.00 178.83 180.03 1myf h GLY 129 N 0.81 0.57 0.66 0.06 0.00 -1.58 0.31 103.07 103.90 1myf h GLY 129 Ca 0.23 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1myf h GLY 129 CO -0.06 0.29 -0.01 0.00 0.00 0.00 0.00 176.54 176.77 1myf h ALA 130 N 1.55 -0.02 -0.36 3.60 0.00 0.90 0.66 119.26 125.59 1myf h ALA 130 Ca 0.12 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1myf h ALA 130 Cb 0.25 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1myf h ALA 130 CO 0.00 -0.34 0.19 0.52 0.00 0.00 0.00 179.25 179.63 1myf h MET 131 N -0.35 0.39 -0.28 0.00 2.86 -0.90 -0.27 114.93 116.37 1myf h MET 131 Ca -0.00 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1myf h MET 131 Cb 0.34 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 1myf h MET 131 CO 0.00 0.26 -0.13 -0.97 1.06 0.00 0.00 176.91 177.13 1myf h ASN 132 N 0.40 -0.45 -0.11 1.22 -1.24 -0.79 0.26 115.58 114.88 1myf h ASN 132 Ca 0.15 0.11 0.03 0.00 0.71 0.00 0.00 56.30 57.29 1myf h ASN 132 Cb 0.04 0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 1myf h ASN 132 CO -0.09 -0.17 -0.06 0.11 -1.29 0.00 0.00 177.43 175.94 1myf h LYS 133 N -0.09 -0.05 -0.78 6.67 1.79 -0.64 0.17 116.57 123.64 1myf h LYS 133 Ca 0.15 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.69 1myf h LYS 133 Cb 0.31 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.91 1myf h LYS 133 CO -0.34 -0.03 0.45 0.00 -1.08 0.00 0.00 179.45 178.45 1myf h ALA 134 N 1.05 1.08 -0.73 3.86 0.00 -0.34 0.81 119.26 124.99 1myf h ALA 134 Ca 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1myf h ALA 134 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1myf h ALA 134 CO -0.14 0.14 0.20 -0.07 0.00 0.00 0.00 179.25 179.38 1myf h LEU 135 N 0.81 1.09 -0.25 0.00 3.38 -0.04 0.01 115.31 120.31 1myf h LEU 135 Ca 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1myf h LEU 135 Cb 0.24 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1myf h LEU 135 CO -0.20 1.03 0.11 -0.33 0.09 0.00 0.00 178.44 179.13 1myf h GLU 136 N 1.10 0.37 -0.02 1.13 5.08 0.77 0.21 114.58 123.22 1myf h GLU 136 Ca 0.23 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1myf h GLU 136 Cb 0.34 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1myf h GLU 136 CO -0.00 0.40 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.27 1myf h LEU 137 N 0.27 -0.18 0.12 1.33 3.38 -0.68 0.21 115.31 119.77 1myf h LEU 137 Ca 0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1myf h LEU 137 Cb 0.16 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1myf h LEU 137 CO -0.01 -0.09 -0.10 0.15 0.09 0.00 0.00 178.44 178.49 1myf h PHE 138 N -0.10 -0.25 -0.47 1.13 3.57 -0.56 0.36 116.94 120.61 1myf h PHE 138 Ca 0.03 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1myf h PHE 138 Cb 0.14 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 1myf h PHE 138 CO -0.14 -0.15 0.12 -0.09 -2.23 0.00 0.00 178.31 175.81 1myf h ARG 139 N -0.23 0.25 -0.64 1.11 2.43 -0.48 -0.30 114.38 116.51 1myf h ARG 139 Ca -0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1myf h ARG 139 Cb 0.21 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1myf h ARG 139 CO -0.01 0.17 0.38 -0.22 -1.51 0.00 0.00 179.97 178.78 1myf h LYS 140 N 0.26 0.87 0.11 0.20 1.63 0.07 0.10 116.57 119.81 1myf h LYS 140 Ca 0.23 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1myf h LYS 140 Cb 0.28 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1myf h LYS 140 CO -0.28 0.61 -0.05 -0.44 -3.45 0.00 0.00 179.45 175.84 1myf h ASP 141 N 0.88 -0.12 -0.37 4.20 3.32 0.72 0.39 116.42 125.44 1myf h ASP 141 Ca 0.23 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.21 1myf h ASP 141 Cb -0.03 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1myf h ASP 141 CO -0.04 0.07 -0.04 0.40 -1.72 0.00 0.00 179.24 177.90 1myf h ILE 142 N -0.31 0.68 -0.37 0.35 1.08 -0.66 0.82 117.51 119.10 1myf h ILE 142 Ca -0.02 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 1myf h ILE 142 Cb 0.26 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 1myf h ILE 142 CO 0.02 0.01 0.14 0.00 -0.69 0.00 0.00 178.15 177.64 1myf h ALA 143 N 1.34 0.44 -0.87 1.87 0.00 -0.60 0.20 119.26 121.65 1myf h ALA 143 Ca 0.18 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1myf h ALA 143 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1myf h ALA 143 CO -0.34 -0.24 0.48 0.00 0.00 0.00 0.00 179.25 179.15 1myf h ALA 144 N 1.23 1.11 -0.34 0.00 0.00 -0.37 0.35 119.26 121.25 1myf h ALA 144 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1myf h ALA 144 Cb 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1myf h ALA 144 CO -0.16 0.62 0.15 0.87 0.00 0.00 0.00 179.25 180.73 1myf h LYS 145 N 1.21 0.49 -0.19 0.00 1.79 0.38 -0.02 116.57 120.22 1myf h LYS 145 Ca 0.31 -0.08 0.04 0.00 -2.18 0.00 0.00 60.65 58.74 1myf h LYS 145 Cb 0.02 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.55 1myf h LYS 145 CO -0.05 0.46 -0.06 1.88 -1.08 0.00 0.00 179.45 180.60 1myf h TYR 146 N 0.40 -0.14 -0.28 -1.35 -1.99 -0.25 0.17 116.97 113.53 1myf h TYR 146 Ca 0.11 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.89 1myf h TYR 146 Cb 0.14 0.09 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 1myf h TYR 146 CO -0.01 -0.10 0.10 -0.22 -0.00 0.00 0.00 178.16 177.93 1myf h LYS 147 N -0.02 0.22 -0.33 4.88 3.64 -0.74 0.39 116.57 124.61 1myf h LYS 147 Ca 0.10 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1myf h LYS 147 Cb 0.17 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1myf h LYS 147 CO -0.21 0.15 0.15 0.93 -2.27 0.00 0.00 179.45 178.20 1myf h GLU 148 N 0.23 0.31 0.00 1.90 5.08 -0.31 -2.08 114.58 119.71 1myf h GLU 148 Ca 0.13 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1myf h GLU 148 Cb 0.09 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1myf h GLU 148 CO -0.13 0.21 -0.27 -0.07 -1.00 0.00 0.00 179.01 177.75 1myf h LEU 149 N 0.32 0.00 -0.44 1.33 3.38 -0.29 -3.47 115.31 116.14 1myf h LEU 149 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1myf h LEU 149 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1myf h LEU 149 CO -0.10 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1myf n GLY 150 N -0.68 0.56 3.01 0.83 0.00 0.10 -5.07 105.19 103.94 1myf n GLY 150 Ca -0.02 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.54 0.87 -0.03 1.61 1.51 0.70 -4.99 117.35 115.48 1myf s TYR 151 Ca 0.00 -0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 55.79 1myf s TYR 151 Cb 0.00 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.22 1myf s TYR 151 CO 0.00 -0.05 0.45 1.96 -1.11 0.00 0.00 175.55 176.80 1myf h GLN 152 N 6.12 -0.28 0.00 -0.62 7.50 -1.97 -3.28 115.11 122.58 1myf h GLN 152 Ca -0.32 0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.85 1myf h GLN 152 Cb 1.17 0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.77 1myf h GLN 152 CO 0.49 -0.18 0.00 0.41 -1.50 0.00 0.00 178.83 178.05