#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myh s LEU 2 N 0.00 4.36 1.01 0.99 1.02 -1.26 -5.08 118.68 119.72 1myh s LEU 2 Ca 0.00 0.80 -0.14 0.00 0.02 0.00 0.00 54.13 54.81 1myh s LEU 2 Cb 0.00 -2.55 0.19 0.00 0.02 0.00 0.00 46.19 43.85 1myh s LEU 2 CO 0.00 0.18 1.12 -0.94 0.02 0.00 0.00 176.35 176.74 1myh s SER 3 N -0.22 2.61 0.45 2.29 1.04 -1.26 -4.82 113.70 113.79 1myh s SER 3 Ca 0.22 0.95 0.20 0.00 0.48 0.00 0.00 55.95 57.81 1myh s SER 3 Cb -0.15 -1.47 1.07 0.00 0.10 0.00 0.00 66.02 65.56 1myh s SER 3 CO 0.10 -3.11 1.94 0.44 0.98 0.00 0.00 173.24 173.59 1myh h ASP 4 N -1.88 0.00 0.73 7.02 5.19 -2.00 -1.44 116.42 124.04 1myh h ASP 4 Ca -0.51 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 55.64 1myh h ASP 4 Cb 1.32 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.83 1myh h ASP 4 CO 0.54 0.23 -1.19 1.23 -3.12 0.00 0.00 179.24 176.93 1myh h GLY 5 N 1.11 0.22 0.70 2.75 0.00 -1.99 -2.68 103.07 103.18 1myh h GLY 5 Ca -0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 1myh h GLY 5 CO 0.03 0.50 -0.02 0.83 0.00 0.00 0.00 176.54 177.88 1myh h GLU 6 N 0.05 -0.05 -0.77 4.80 5.08 -1.86 -2.16 114.58 119.67 1myh h GLU 6 Ca -0.11 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.43 1myh h GLU 6 Cb 1.92 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 31.04 1myh h GLU 6 CO 0.18 0.25 -0.06 -1.49 -1.00 0.00 0.00 179.01 176.89 1myh h TRP 7 N -0.35 -0.17 -0.32 4.33 4.06 -1.25 -0.73 115.95 121.52 1myh h TRP 7 Ca -0.01 0.06 0.03 0.00 2.06 0.00 0.00 58.89 61.03 1myh h TRP 7 Cb 0.32 0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.65 1myh h TRP 7 CO 0.03 -0.28 0.15 1.96 -3.56 0.00 0.00 178.44 176.73 1myh h GLN 8 N 0.06 0.30 -0.80 0.49 7.50 -1.36 0.19 115.11 121.49 1myh h GLN 8 Ca 0.41 -0.02 -0.04 0.00 0.50 0.00 0.00 58.65 59.50 1myh h GLN 8 Cb 0.70 -0.07 -0.04 0.00 0.05 0.00 0.00 27.48 28.13 1myh h GLN 8 CO -0.72 0.20 0.33 -0.07 -1.50 0.00 0.00 178.83 177.06 1myh h LEU 9 N 0.31 1.09 -0.11 1.46 3.38 -0.51 0.15 115.31 121.07 1myh h LEU 9 Ca 0.14 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1myh h LEU 9 Cb 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1myh h LEU 9 CO -0.11 0.96 0.07 0.58 0.09 0.00 0.00 178.44 180.03 1myh h VAL 10 N 1.16 1.05 0.00 1.22 2.07 -0.61 -2.13 116.25 119.01 1myh h VAL 10 Ca 0.27 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.55 1myh h VAL 10 Cb 0.20 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1myh h VAL 10 CO -0.02 0.05 -0.51 -0.07 0.02 0.00 0.00 177.57 177.04 1myh h LEU 11 N 0.12 0.00 0.18 2.57 3.38 -0.70 -1.86 115.31 119.00 1myh h LEU 11 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1myh h LEU 11 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1myh h LEU 11 CO -0.01 0.51 -0.08 0.78 0.09 0.00 0.00 178.44 179.72 1myh h ASN 12 N 0.00 -0.20 -0.14 -0.43 -0.26 -0.35 -2.90 115.58 111.30 1myh h ASN 12 Ca -0.01 -0.22 0.02 0.00 -0.56 0.00 0.00 56.30 55.53 1myh h ASN 12 Cb 0.91 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 38.20 1myh h ASN 12 CO 0.07 0.12 0.01 0.58 -1.06 0.00 0.00 177.43 177.15 1myh h VAL 13 N -0.54 0.91 -0.65 2.81 2.07 -1.28 -2.38 116.25 117.19 1myh h VAL 13 Ca -0.02 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 67.67 1myh h VAL 13 Cb 0.41 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1myh h VAL 13 CO 0.04 0.01 0.70 -0.25 0.02 0.00 0.00 177.57 178.09 1myh h TRP 14 N 0.06 0.00 0.00 1.57 2.91 -1.37 0.29 115.95 119.41 1myh h TRP 14 Ca 0.06 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 59.98 1myh h TRP 14 Cb 0.07 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 1myh h TRP 14 CO -0.14 0.00 -0.50 0.78 -1.03 0.00 0.00 178.44 177.55 1myh h GLY 15 N 0.00 0.00 0.97 2.65 0.00 -1.21 -1.83 103.07 103.65 1myh h GLY 15 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1myh h GLY 15 CO -0.00 0.00 0.24 0.50 0.00 0.00 0.00 176.54 177.27 1myh h LYS 16 N 0.00 0.66 -0.43 4.80 1.79 -1.07 -2.07 116.57 120.26 1myh h LYS 16 Ca -0.00 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 1myh h LYS 16 Cb 0.93 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 1myh h LYS 16 CO 0.06 0.54 0.16 0.28 -1.08 0.00 0.00 179.45 179.42 1myh h VAL 17 N 0.61 1.21 0.00 0.50 2.07 -1.37 -1.36 116.25 117.91 1myh h VAL 17 Ca 0.16 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1myh h VAL 17 Cb 0.09 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1myh h VAL 17 CO -0.02 0.24 0.00 -0.33 0.02 0.00 0.00 177.57 177.48 1myh h GLU 18 N 0.55 0.00 0.00 1.57 5.08 -1.03 -1.11 114.58 119.64 1myh h GLU 18 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1myh h GLU 18 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1myh h GLU 18 CO -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.00 1myh h ALA 19 N 2.16 1.00 -1.22 3.43 0.00 -0.54 -3.38 119.26 120.70 1myh h ALA 19 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 1myh h ALA 19 Cb 0.39 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.91 1myh h ALA 19 CO 0.00 0.00 -0.80 -3.47 0.00 0.00 0.00 179.25 174.98 1myh n ASP 20 N -2.92 -1.44 0.22 0.00 2.03 -0.47 -5.05 116.55 108.92 1myh n ASP 20 Ca 0.04 -2.89 -0.15 0.00 0.52 0.00 0.00 54.79 52.30 1myh n ASP 20 Cb 0.48 0.53 -0.08 0.00 -0.72 0.00 0.00 41.12 41.33 1myh n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1myh h VAL 21 N 3.06 0.64 -0.25 5.18 2.07 -1.63 -2.97 116.25 122.36 1myh h VAL 21 Ca 0.02 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1myh h VAL 21 Cb 0.96 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1myh h VAL 21 CO 0.35 0.02 0.17 0.00 0.02 0.00 0.00 177.57 178.12 1myh h ALA 22 N 0.09 2.07 -0.25 1.67 0.00 -1.89 0.30 119.26 121.24 1myh h ALA 22 Ca -0.05 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1myh h ALA 22 Cb 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1myh h ALA 22 CO 0.08 -0.13 -0.35 0.78 0.00 0.00 0.00 179.25 179.64 1myh h GLY 23 N 0.12 0.75 0.97 0.00 0.00 -1.91 0.43 103.07 103.43 1myh h GLY 23 Ca 0.11 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 1myh h GLY 23 CO -0.01 0.74 -0.18 0.45 0.00 0.00 0.00 176.54 177.53 1myh h HIS 24 N 0.41 -0.48 -0.12 5.60 3.86 -1.35 -2.00 115.15 121.07 1myh h HIS 24 Ca 0.03 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1myh h HIS 24 Cb 0.94 0.16 -0.03 0.00 1.06 0.00 0.00 27.41 29.54 1myh h HIS 24 CO 0.08 -0.29 -0.05 0.78 0.86 0.00 0.00 177.93 179.31 1myh h GLY 25 N -0.50 0.06 0.98 2.45 0.00 -0.81 -1.60 103.07 103.66 1myh h GLY 25 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1myh h GLY 25 CO 0.07 -0.07 0.11 -1.61 0.00 0.00 0.00 176.54 175.04 1myh h GLN 26 N -0.04 0.23 -0.24 4.80 4.15 -0.17 -2.36 115.11 121.48 1myh h GLN 26 Ca 0.06 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 1myh h GLN 26 Cb 0.13 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1myh h GLN 26 CO -0.14 0.18 -0.11 1.49 -1.93 0.00 0.00 178.83 178.31 1myh h GLU 27 N 0.22 0.39 -0.15 1.69 4.57 -1.10 -1.82 114.58 118.37 1myh h GLU 27 Ca 0.06 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1myh h GLU 27 Cb 0.00 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1myh h GLU 27 CO -0.01 0.51 0.05 0.28 -1.18 0.00 0.00 179.01 178.66 1myh h VAL 28 N 0.36 0.97 0.49 0.32 2.07 -1.22 0.13 116.25 119.36 1myh h VAL 28 Ca 0.07 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1myh h VAL 28 Cb 0.42 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1myh h VAL 28 CO 0.02 0.02 -0.37 -0.07 0.02 0.00 0.00 177.57 177.19 1myh h LEU 29 N 0.13 -0.98 -0.52 2.57 3.38 -1.19 -0.38 115.31 118.31 1myh h LEU 29 Ca 0.06 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1myh h LEU 29 Cb 0.04 0.31 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 1myh h LEU 29 CO -0.07 -0.55 -0.06 0.40 0.09 0.00 0.00 178.44 178.25 1myh h ILE 30 N -0.85 0.53 -0.94 1.22 2.04 -1.15 -1.41 117.51 116.95 1myh h ILE 30 Ca -0.05 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1myh h ILE 30 Cb 0.72 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 1myh h ILE 30 CO 0.00 0.01 0.61 0.03 0.00 0.00 0.00 178.15 178.81 1myh h ARG 31 N 0.06 1.03 0.02 2.37 2.47 0.12 -1.96 114.38 118.50 1myh h ARG 31 Ca 0.26 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.93 1myh h ARG 31 Cb 0.40 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 1myh h ARG 31 CO -0.49 0.68 -0.08 1.25 0.56 0.00 0.00 179.97 181.89 1myh h LEU 32 N 1.06 -0.23 -0.78 3.04 6.46 -0.07 -2.42 115.31 122.38 1myh h LEU 32 Ca 0.41 0.03 -0.13 0.00 -0.12 0.00 0.00 57.88 58.08 1myh h LEU 32 Cb 0.23 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1myh h LEU 32 CO -0.16 -0.12 -0.46 -0.26 -0.62 0.00 0.00 178.44 176.81 1myh h PHE 33 N -0.15 0.41 0.18 1.25 0.04 -1.29 0.23 116.94 117.62 1myh h PHE 33 Ca 0.02 -0.13 -0.34 0.00 2.80 0.00 0.00 57.97 60.33 1myh h PHE 33 Cb 0.18 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 38.25 1myh h PHE 33 CO -0.14 0.75 -1.65 -0.22 -0.60 0.00 0.00 178.31 176.45 1myh h LYS 34 N 0.28 0.39 0.12 1.51 3.64 -1.41 -3.06 116.57 118.05 1myh h LYS 34 Ca 0.02 -0.67 -0.30 0.00 -1.27 0.00 0.00 60.65 58.43 1myh h LYS 34 Cb 0.92 0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1myh h LYS 34 CO 0.08 1.30 -1.45 0.78 -2.27 0.00 0.00 179.45 177.89 1myh h GLY 35 N 0.82 0.29 -6.29 5.01 0.00 -1.42 -3.41 103.07 98.06 1myh h GLY 35 Ca -0.30 -0.75 -0.58 0.00 0.00 0.00 0.00 47.33 45.69 1myh h GLY 35 CO 0.19 0.66 -0.98 1.42 0.00 0.00 0.00 176.54 177.83 1myh n HIS 36 N -3.47 -0.34 0.22 5.60 8.25 0.81 -5.01 115.22 121.27 1myh n HIS 36 Ca -0.14 -3.48 0.18 0.00 -0.26 0.00 0.00 57.72 54.02 1myh n HIS 36 Cb 1.04 -0.01 0.85 0.00 1.12 0.00 0.00 29.99 32.99 1myh n HIS 36 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1myh h PRO 37 N 5.06 0.00 -0.16 -0.41 0.13 -1.73 -1.35 132.00 133.55 1myh h PRO 37 Ca 0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.32 1myh h PRO 37 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1myh h PRO 37 CO 0.44 0.00 0.05 1.05 -0.23 0.00 0.00 178.00 179.31 1myh h GLU 38 N 0.00 0.22 0.00 0.86 9.09 -1.92 -0.46 114.58 122.36 1myh h GLU 38 Ca 0.08 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 59.46 1myh h GLU 38 Cb 0.57 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 27.63 1myh h GLU 38 CO -0.00 0.19 -0.08 1.79 0.05 0.00 0.00 179.01 180.96 1myh h THR 39 N 0.22 0.31 -0.52 -1.06 1.35 -1.57 -2.92 112.91 108.72 1myh h THR 39 Ca 0.06 -0.50 -0.09 0.00 -0.55 0.00 0.00 66.41 65.32 1myh h THR 39 Cb 0.07 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 1myh h THR 39 CO -0.00 0.08 -0.03 0.25 -0.25 0.00 0.00 175.52 175.57 1myh h LEU 40 N 0.00 0.89 -1.54 3.87 5.85 -1.21 -2.64 115.31 120.53 1myh h LEU 40 Ca -0.00 -0.24 0.17 0.00 0.84 0.00 0.00 57.88 58.64 1myh h LEU 40 Cb 0.37 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1myh h LEU 40 CO 0.01 0.96 0.54 -0.33 -0.34 0.00 0.00 178.44 179.29 1myh h GLU 41 N 0.83 0.42 0.00 1.25 5.08 -1.57 0.63 114.58 121.23 1myh h GLU 41 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1myh h GLU 41 Cb 0.53 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1myh h GLU 41 CO 0.03 0.28 0.00 1.63 -1.00 0.00 0.00 179.01 179.95 1myh n LYS 42 N -4.49 0.08 -3.65 2.33 4.76 -0.99 -4.62 118.16 111.57 1myh n LYS 42 Ca 0.16 0.28 -0.39 0.00 -2.87 0.00 0.00 58.31 55.50 1myh n LYS 42 Cb 0.58 -1.65 -0.11 0.00 -1.84 0.00 0.00 35.03 32.02 1myh n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1myh s PHE 43 N -3.11 3.36 0.19 2.13 0.40 0.21 -4.95 117.98 116.21 1myh s PHE 43 Ca 0.07 -1.66 -0.12 0.00 -0.60 0.00 0.00 56.93 54.62 1myh s PHE 43 Cb 0.10 -2.90 0.17 0.00 0.51 0.00 0.00 43.02 40.90 1myh s PHE 43 CO 0.35 -0.86 1.80 -0.44 0.70 0.00 0.00 175.22 176.78 1myh h ASP 44 N 8.33 0.48 -0.08 1.36 3.32 -1.84 -1.28 116.42 126.70 1myh h ASP 44 Ca -0.21 0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.88 1myh h ASP 44 Cb 1.08 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 1myh h ASP 44 CO 0.73 0.32 0.35 -0.09 -1.72 0.00 0.00 179.24 178.83 1myh h ARG 45 N 0.61 0.00 0.00 3.56 2.43 -1.94 -2.20 114.38 116.84 1myh h ARG 45 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1myh h ARG 45 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1myh h ARG 45 CO -0.15 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.50 1myh n PHE 46 N -3.06 0.00 0.32 2.20 3.72 -0.68 -4.76 117.46 115.20 1myh n PHE 46 Ca -0.00 -0.15 0.21 0.00 -0.05 0.00 0.00 57.45 57.47 1myh n PHE 46 Cb 0.42 -0.01 1.08 0.00 -0.94 0.00 0.00 39.48 40.03 1myh n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1myh h LYS 47 N 0.00 0.00 0.00 -1.08 2.10 -0.60 -2.04 116.57 114.95 1myh h LYS 47 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1myh h LYS 47 Cb 0.41 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1myh h LYS 47 CO 0.00 0.00 -0.04 1.12 -2.00 0.00 0.00 179.45 178.53 1myh h HIS 48 N 0.00 0.00 -2.91 0.07 2.07 -1.86 -3.44 115.15 109.08 1myh h HIS 48 Ca 0.00 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.95 1myh h HIS 48 Cb 0.12 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.06 1myh h HIS 48 CO 0.00 0.04 1.15 -0.51 -3.07 0.00 0.00 177.93 175.54 1myh s LEU 49 N -8.62 3.68 0.00 6.12 1.43 -0.77 -4.86 118.68 115.66 1myh s LEU 49 Ca -0.05 1.26 0.20 0.00 -1.03 0.00 0.00 54.13 54.52 1myh s LEU 49 Cb 0.16 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 1myh s LEU 49 CO 0.65 -1.44 0.97 0.29 0.23 0.00 0.00 176.35 177.06 1myh n LYS 50 N 8.00 1.30 -3.71 1.70 4.76 -1.26 -4.95 118.16 124.00 1myh n LYS 50 Ca 0.19 -0.80 -0.11 0.00 -2.87 0.00 0.00 58.31 54.72 1myh n LYS 50 Cb 0.47 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 32.19 1myh n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1myh s SER 51 N -2.34 -0.16 0.23 4.39 1.04 -1.26 -5.03 113.70 110.58 1myh s SER 51 Ca 0.15 -0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.26 1myh s SER 51 Cb 0.16 0.41 0.40 0.00 0.10 0.00 0.00 66.02 67.09 1myh s SER 51 CO 0.55 -0.73 1.73 -0.08 0.98 0.00 0.00 173.24 175.69 1myh h GLU 52 N 2.79 0.41 -0.36 4.02 4.81 -1.98 0.85 114.58 125.12 1myh h GLU 52 Ca -0.33 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 58.95 1myh h GLU 52 Cb 1.22 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 1myh h GLU 52 CO 0.47 0.27 -0.03 0.22 -0.73 0.00 0.00 179.01 179.21 1myh h ASP 53 N 0.42 -0.21 -0.77 1.04 3.58 -1.98 0.37 116.42 118.86 1myh h ASP 53 Ca 0.38 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.88 1myh h ASP 53 Cb 0.54 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.73 1myh h ASP 53 CO -0.38 -0.07 0.32 -0.33 -2.88 0.00 0.00 179.24 175.90 1myh h GLU 54 N 0.06 1.15 -0.81 0.28 5.08 -1.41 0.25 114.58 119.18 1myh h GLU 54 Ca 0.17 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1myh h GLU 54 Cb 0.25 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1myh h GLU 54 CO -0.32 0.93 0.52 0.52 -1.00 0.00 0.00 179.01 179.66 1myh h MET 55 N 1.13 0.97 -0.07 2.33 2.86 0.15 -2.12 114.93 120.18 1myh h MET 55 Ca 0.26 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.72 1myh h MET 55 Cb 0.20 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1myh h MET 55 CO -0.02 0.64 -0.49 0.87 1.06 0.00 0.00 176.91 178.97 1myh h LYS 56 N 1.00 0.19 0.00 1.72 1.57 0.35 -3.14 116.57 118.27 1myh h LYS 56 Ca 0.33 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1myh h LYS 56 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1myh h LYS 56 CO -0.12 0.64 -0.48 0.00 -0.57 0.00 0.00 179.45 178.93 1myh h ALA 57 N 1.34 0.94 -1.80 3.86 0.00 0.01 -3.45 119.26 120.16 1myh h ALA 57 Ca 0.01 -0.43 -0.54 0.00 0.00 0.00 0.00 54.91 53.95 1myh h ALA 57 Cb 0.92 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1myh h ALA 57 CO 0.07 0.59 1.50 0.45 0.00 0.00 0.00 179.25 181.86 1myh s SER 58 N -6.56 5.16 0.30 0.00 0.15 -0.85 -4.84 113.70 107.06 1myh s SER 58 Ca 0.00 1.39 0.04 0.00 0.70 0.00 0.00 55.95 58.08 1myh s SER 58 Cb 0.11 -2.51 0.47 0.00 -1.71 0.00 0.00 66.02 62.38 1myh s SER 58 CO 0.72 -2.27 1.75 1.05 1.20 0.00 0.00 173.24 175.69 1myh h GLU 59 N 16.25 0.45 0.00 5.44 4.11 -1.88 -3.02 114.58 135.92 1myh h GLU 59 Ca -0.33 -0.16 -0.06 0.00 0.07 0.00 0.00 59.36 58.89 1myh h GLU 59 Cb 1.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1myh h GLU 59 CO 1.06 0.65 -0.35 -0.44 0.07 0.00 0.00 179.01 179.99 1myh h ASP 60 N 0.40 0.00 -0.19 3.06 5.19 -1.96 -2.41 116.42 120.51 1myh h ASP 60 Ca 0.06 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.39 1myh h ASP 60 Cb 0.62 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 1myh h ASP 60 CO 0.04 0.28 -0.15 0.25 -3.12 0.00 0.00 179.24 176.54 1myh h LEU 61 N 0.00 0.58 0.25 1.55 6.46 -1.86 -2.76 115.31 119.54 1myh h LEU 61 Ca -0.01 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1myh h LEU 61 Cb 1.22 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 1myh h LEU 61 CO 0.04 0.76 -0.12 0.50 -0.62 0.00 0.00 178.44 178.99 1myh h LYS 62 N 0.54 -0.33 -0.84 1.25 3.64 -1.52 -0.15 116.57 119.16 1myh h LYS 62 Ca 0.09 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1myh h LYS 62 Cb 0.57 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 1myh h LYS 62 CO 0.04 0.00 0.56 -0.22 -2.27 0.00 0.00 179.45 177.56 1myh h LYS 63 N -0.70 1.11 -0.00 1.90 3.64 -1.39 -1.93 116.57 119.19 1myh h LYS 63 Ca -0.03 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1myh h LYS 63 Cb 0.48 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1myh h LYS 63 CO 0.06 0.73 -0.00 1.25 -2.27 0.00 0.00 179.45 179.22 1myh h HIS 64 N 1.14 0.00 -0.79 1.91 2.76 -1.32 -2.85 115.15 116.00 1myh h HIS 64 Ca 0.31 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.53 1myh h HIS 64 Cb -0.13 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 28.78 1myh h HIS 64 CO -0.00 0.53 0.52 0.78 -1.30 0.00 0.00 177.93 178.46 1myh h GLY 65 N -0.52 1.11 0.47 5.26 0.00 -0.90 0.12 103.07 108.60 1myh h GLY 65 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.01 1myh h GLY 65 CO 0.00 0.30 -0.14 -0.57 0.00 0.00 0.00 176.54 176.13 1myh h ASN 66 N 0.92 -0.45 -0.05 0.19 -1.24 -1.14 -2.52 115.58 111.30 1myh h ASN 66 Ca 0.33 0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.42 1myh h ASN 66 Cb 0.13 0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.39 1myh h ASN 66 CO -0.10 -0.19 0.03 0.74 -1.29 0.00 0.00 177.43 176.62 1myh h THR 67 N -0.17 1.05 0.41 -3.57 2.02 -1.13 -0.51 112.91 111.01 1myh h THR 67 Ca 0.10 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1myh h THR 67 Cb 0.31 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1myh h THR 67 CO -0.24 0.04 -0.38 0.58 0.37 0.00 0.00 175.52 175.89 1myh h VAL 68 N 0.01 0.00 -0.01 3.16 2.07 -0.44 -2.63 116.25 118.41 1myh h VAL 68 Ca 0.02 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.37 1myh h VAL 68 Cb 0.05 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 1myh h VAL 68 CO -0.00 0.00 -0.75 -0.07 0.02 0.00 0.00 177.57 176.77 1myh h LEU 69 N -0.78 0.15 -1.31 2.57 3.38 -1.34 -1.47 115.31 116.51 1myh h LEU 69 Ca -0.05 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.88 1myh h LEU 69 Cb 0.67 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1myh h LEU 69 CO -0.03 0.85 0.52 0.74 0.09 0.00 0.00 178.44 180.60 1myh h THR 70 N 0.08 1.00 0.07 0.22 2.02 -1.08 -1.90 112.91 113.32 1myh h THR 70 Ca -0.02 -0.28 -0.19 0.00 0.77 0.00 0.00 66.41 66.69 1myh h THR 70 Cb 1.32 0.12 0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1myh h THR 70 CO 0.11 0.15 -0.78 0.00 0.37 0.00 0.00 175.52 175.37 1myh h ALA 71 N 1.58 0.00 -0.65 6.16 0.00 -1.24 -2.88 119.26 122.23 1myh h ALA 71 Ca 0.35 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1myh h ALA 71 Cb 0.31 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1myh h ALA 71 CO -0.13 0.41 0.40 1.25 0.00 0.00 0.00 179.25 181.19 1myh h LEU 72 N -0.13 0.65 -0.61 0.00 5.85 -1.17 -2.85 115.31 117.05 1myh h LEU 72 Ca -0.12 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.73 1myh h LEU 72 Cb 1.52 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 42.31 1myh h LEU 72 CO 0.15 0.45 -0.11 1.23 -0.34 0.00 0.00 178.44 179.82 1myh h GLY 73 N 0.78 0.50 1.23 3.75 0.00 -1.39 -0.37 103.07 107.58 1myh h GLY 73 Ca 0.26 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1myh h GLY 73 CO -0.11 -0.23 0.45 -1.33 0.00 0.00 0.00 176.54 175.32 1myh h GLY 74 N 0.03 1.09 1.30 4.60 0.00 -1.28 -1.99 103.07 106.82 1myh h GLY 74 Ca 0.30 -0.45 -0.25 0.00 0.00 0.00 0.00 47.33 46.93 1myh h GLY 74 CO -0.60 0.44 -1.01 -2.22 0.00 0.00 0.00 176.54 173.15 1myh h ILE 75 N 1.04 1.31 -0.59 2.60 2.04 -1.18 -3.14 117.51 119.59 1myh h ILE 75 Ca 0.27 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.84 1myh h ILE 75 Cb -0.03 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1myh h ILE 75 CO -0.05 0.70 0.37 -0.07 0.00 0.00 0.00 178.15 179.10 1myh h LEU 76 N 0.36 0.69 -0.86 1.44 3.38 -0.46 -2.40 115.31 117.46 1myh h LEU 76 Ca -0.11 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 57.93 1myh h LEU 76 Cb 1.65 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 42.15 1myh h LEU 76 CO 0.19 0.53 0.49 0.11 0.09 0.00 0.00 178.44 179.85 1myh h LYS 77 N 0.79 0.74 0.00 1.13 1.57 -1.46 0.27 116.57 119.61 1myh h LYS 77 Ca 0.21 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1myh h LYS 77 Cb -0.05 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.09 1myh h LYS 77 CO -0.04 0.49 0.00 1.63 -0.57 0.00 0.00 179.45 180.95 1myh n LYS 78 N -4.77 0.01 -4.01 3.15 4.76 -0.90 -4.91 118.16 111.48 1myh n LYS 78 Ca 0.16 0.39 -0.27 0.00 -2.87 0.00 0.00 58.31 55.73 1myh n LYS 78 Cb 0.35 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 1myh n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1myh n LYS 79 N -1.41 -3.02 0.00 1.97 5.02 0.95 -2.58 118.16 119.09 1myh n LYS 79 Ca 0.00 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1myh n LYS 79 Cb 0.01 -4.46 0.00 0.00 -0.02 0.00 0.00 35.03 30.56 1myh n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1myh n GLY 80 N -2.02 1.84 2.40 0.72 0.00 -1.26 -4.92 105.19 101.95 1myh n GLY 80 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1myh n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1myh n HIS 81 N -2.00 3.10 -0.20 1.61 8.25 -1.06 -4.77 115.22 120.14 1myh n HIS 81 Ca 0.00 -2.73 0.06 0.00 -0.26 0.00 0.00 57.72 54.79 1myh n HIS 81 Cb 0.00 -1.06 0.17 0.00 1.12 0.00 0.00 29.99 30.22 1myh n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1myh n HIS 82 N -0.76 0.51 -0.33 4.41 1.44 -1.26 -4.80 115.22 114.42 1myh n HIS 82 Ca 0.55 -0.51 0.06 0.00 -2.01 0.00 0.00 57.72 55.82 1myh n HIS 82 Cb 0.64 -0.03 0.14 0.00 0.12 0.00 0.00 29.99 30.86 1myh n HIS 82 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1myh n GLU 83 N 0.58 -0.08 -0.07 -1.40 4.71 -1.26 -0.34 120.64 122.77 1myh n GLU 83 Ca 0.13 1.43 -0.12 0.00 -0.01 0.00 0.00 57.16 58.59 1myh n GLU 83 Cb 0.45 -2.15 -0.05 0.00 -1.01 0.00 0.00 31.44 28.68 1myh n GLU 83 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1myh h ALA 84 N 1.84 0.29 -0.41 0.62 0.00 -2.01 0.41 119.26 119.99 1myh h ALA 84 Ca 0.45 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1myh h ALA 84 Cb 0.72 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1myh h ALA 84 CO -0.94 0.04 -0.33 0.93 0.00 0.00 0.00 179.25 178.96 1myh h GLU 85 N 0.13 0.94 0.00 0.00 3.07 -1.82 -2.99 114.58 113.91 1myh h GLU 85 Ca 0.06 -0.46 -0.11 0.00 -0.50 0.00 0.00 59.36 58.35 1myh h GLU 85 Cb 0.45 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1myh h GLU 85 CO 0.02 1.12 -0.51 1.25 -1.40 0.00 0.00 179.01 179.48 1myh h LEU 86 N 0.79 0.00 -0.42 1.33 6.46 -0.58 -3.33 115.31 119.55 1myh h LEU 86 Ca 0.08 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1myh h LEU 86 Cb 0.91 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.81 1myh h LEU 86 CO 0.08 0.51 0.24 0.74 -0.62 0.00 0.00 178.44 179.40 1myh h THR 87 N 0.00 1.02 0.00 1.05 2.02 -0.02 -1.93 112.91 115.06 1myh h THR 87 Ca -0.01 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 1myh h THR 87 Cb 1.24 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1myh h THR 87 CO 0.07 0.09 -0.34 1.55 0.37 0.00 0.00 175.52 177.26 1myh h PRO 88 N 0.48 0.00 -0.12 6.66 0.13 -1.73 -1.33 132.00 136.09 1myh h PRO 88 Ca 0.17 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.14 1myh h PRO 88 Cb 0.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1myh h PRO 88 CO -0.09 0.34 -0.62 1.25 -0.23 0.00 0.00 178.00 178.64 1myh h LEU 89 N 0.00 0.48 -0.96 1.56 7.12 -1.57 -1.95 115.31 119.99 1myh h LEU 89 Ca -0.00 -0.28 -0.07 0.00 0.13 0.00 0.00 57.88 57.66 1myh h LEU 89 Cb 0.67 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.64 1myh h LEU 89 CO 0.04 0.99 0.04 0.00 -0.13 0.00 0.00 178.44 179.38 1myh h ALA 90 N 1.01 1.14 0.16 1.25 0.00 -0.84 -0.67 119.26 121.32 1myh h ALA 90 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1myh h ALA 90 Cb 1.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1myh h ALA 90 CO 0.11 0.56 -0.07 1.96 0.00 0.00 0.00 179.25 181.80 1myh h GLN 91 N 0.75 -0.20 0.02 0.00 4.20 -1.07 -0.32 115.11 118.48 1myh h GLN 91 Ca 0.15 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1myh h GLN 91 Cb 0.40 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1myh h GLN 91 CO 0.01 -0.01 -0.01 0.66 -0.67 0.00 0.00 178.83 178.82 1myh h SER 92 N -0.36 -0.02 0.35 1.46 4.64 -1.31 0.48 113.55 118.77 1myh h SER 92 Ca -0.02 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 1myh h SER 92 Cb 0.29 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1myh h SER 92 CO 0.04 0.24 -0.16 0.45 -0.87 0.00 0.00 176.83 176.53 1myh h HIS 93 N -0.29 0.00 0.08 4.77 3.86 -1.14 0.76 115.15 123.19 1myh h HIS 93 Ca -0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.87 1myh h HIS 93 Cb 0.28 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1myh h HIS 93 CO 0.01 0.16 -1.83 0.00 0.86 0.00 0.00 177.93 177.14 1myh n ALA 94 N -2.34 0.88 -0.01 2.45 0.00 -0.13 0.16 120.51 121.52 1myh n ALA 94 Ca -0.02 -0.59 0.09 0.00 0.00 0.00 0.00 53.44 52.92 1myh n ALA 94 Cb 0.26 -0.61 -0.16 0.00 0.00 0.00 0.00 19.45 18.94 1myh n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1myh n THR 95 N -3.76 0.15 -0.03 0.00 -2.24 0.17 -3.60 114.28 104.97 1myh n THR 95 Ca -0.33 -0.53 -0.03 0.00 -2.27 0.00 0.00 64.05 60.88 1myh n THR 95 Cb 0.94 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.10 1myh n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1myh n LYS 96 N -2.32 0.20 0.21 -0.78 4.81 -0.20 -4.73 118.16 115.35 1myh n LYS 96 Ca -0.06 0.08 0.09 0.00 -0.87 0.00 0.00 58.31 57.55 1myh n LYS 96 Cb 0.62 -0.81 0.38 0.00 0.02 0.00 0.00 35.03 35.23 1myh n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1myh h HIS 97 N -0.38 0.00 -5.98 5.64 3.86 0.25 -3.48 115.15 115.06 1myh h HIS 97 Ca 0.00 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.83 1myh h HIS 97 Cb 0.38 0.00 0.11 0.00 1.06 0.00 0.00 27.41 28.96 1myh h HIS 97 CO -0.16 0.26 -0.89 1.63 0.86 0.00 0.00 177.93 179.63 1myh n LYS 98 N -3.37 -2.57 -3.24 2.45 4.01 -0.55 -4.97 118.16 109.91 1myh n LYS 98 Ca 0.00 0.61 -0.41 0.00 -0.51 0.00 0.00 58.31 58.01 1myh n LYS 98 Cb 0.48 -4.88 -0.08 0.00 -0.51 0.00 0.00 35.03 30.04 1myh n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1myh s ILE 99 N -3.51 5.03 0.88 -0.18 -1.09 0.43 -5.02 121.20 117.74 1myh s ILE 99 Ca 0.33 0.53 -0.11 0.00 -2.23 0.00 0.00 60.65 59.17 1myh s ILE 99 Cb -0.09 -3.92 0.12 0.00 -1.58 0.00 0.00 42.46 36.99 1myh s ILE 99 CO 0.82 -0.11 1.13 -0.81 -1.23 0.00 0.00 174.94 174.73 1myh n PRO 100 N 5.68 -0.22 -0.10 2.79 -0.04 -1.26 -4.82 135.00 137.04 1myh n PRO 100 Ca -0.05 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.28 1myh n PRO 100 Cb 0.49 -2.37 -0.04 0.00 -0.04 0.00 0.00 33.50 31.55 1myh n PRO 100 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1myh h VAL 101 N -1.51 1.28 0.00 0.52 2.07 -1.96 -2.41 116.25 114.23 1myh h VAL 101 Ca -0.44 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1myh h VAL 101 Cb 1.28 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1myh h VAL 101 CO 0.42 0.53 0.04 0.07 0.02 0.00 0.00 177.57 178.66 1myh h LYS 102 N 0.67 0.00 -0.01 1.57 2.10 -1.99 0.52 116.57 119.43 1myh h LYS 102 Ca 0.04 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.51 1myh h LYS 102 Cb 1.04 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 1myh h LYS 102 CO 0.10 0.00 -0.81 1.88 -2.00 0.00 0.00 179.45 178.62 1myh h TYR 103 N 0.00 0.20 -0.44 0.07 -1.99 -1.78 -2.29 116.97 110.73 1myh h TYR 103 Ca 0.00 -0.10 -0.05 0.00 2.00 0.00 0.00 58.73 60.57 1myh h TYR 103 Cb 0.08 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 1myh h TYR 103 CO 0.00 0.88 0.06 -0.07 -0.00 0.00 0.00 178.16 179.04 1myh h LEU 104 N 0.08 0.71 -1.01 3.88 3.38 0.02 -2.31 115.31 120.06 1myh h LEU 104 Ca -0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1myh h LEU 104 Cb 1.41 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1myh h LEU 104 CO 0.12 0.80 0.36 -0.33 0.09 0.00 0.00 178.44 179.48 1myh h GLU 105 N 0.60 1.06 -0.48 1.13 5.08 -0.95 -2.58 114.58 118.45 1myh h GLU 105 Ca 0.13 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1myh h GLU 105 Cb 0.40 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1myh h GLU 105 CO 0.01 0.82 0.31 0.74 -1.00 0.00 0.00 179.01 179.88 1myh h PHE 106 N 1.06 0.58 0.02 4.33 0.04 -1.09 -0.48 116.94 121.39 1myh h PHE 106 Ca 0.26 0.01 -0.21 0.00 2.80 0.00 0.00 57.97 60.84 1myh h PHE 106 Cb 0.10 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1myh h PHE 106 CO 0.01 0.35 -0.93 0.97 -0.60 0.00 0.00 178.31 178.11 1myh h ILE 107 N 0.62 1.53 0.38 -0.55 2.10 -1.33 -1.38 117.51 118.88 1myh h ILE 107 Ca 0.18 -2.79 -0.02 0.00 1.08 0.00 0.00 64.86 63.31 1myh h ILE 107 Cb -0.05 2.58 0.00 0.00 -1.09 0.00 0.00 36.82 38.26 1myh h ILE 107 CO -0.05 0.81 -0.19 0.28 -1.08 0.00 0.00 178.15 177.92 1myh h SER 108 N 0.08 -0.45 -0.66 2.19 0.02 -1.37 0.33 113.55 113.70 1myh h SER 108 Ca -0.05 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1myh h SER 108 Cb 1.59 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 64.22 1myh h SER 108 CO 0.14 -0.31 0.16 -0.08 -1.14 0.00 0.00 176.83 175.59 1myh h GLU 109 N -0.52 1.05 -0.69 3.45 4.81 -0.99 -1.12 114.58 120.58 1myh h GLU 109 Ca -0.05 -0.25 0.12 0.00 -0.13 0.00 0.00 59.36 59.05 1myh h GLU 109 Cb 0.40 -0.14 -0.09 0.00 0.63 0.00 0.00 28.75 29.56 1myh h GLU 109 CO 0.08 0.95 0.26 0.00 -0.73 0.00 0.00 179.01 179.56 1myh h ALA 110 N 1.06 0.93 -0.46 2.92 0.00 -1.08 -0.64 119.26 121.99 1myh h ALA 110 Ca 0.21 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1myh h ALA 110 Cb 0.36 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1myh h ALA 110 CO 0.00 -0.20 0.22 0.82 0.00 0.00 0.00 179.25 180.09 1myh h ILE 111 N 0.42 0.94 0.16 0.00 2.04 -0.14 -1.36 117.51 119.57 1myh h ILE 111 Ca 0.37 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 1myh h ILE 111 Cb 0.51 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1myh h ILE 111 CO -0.37 0.08 -0.12 0.40 0.00 0.00 0.00 178.15 178.15 1myh h ILE 112 N 0.43 0.74 -0.63 -0.67 1.08 -0.91 -0.86 117.51 116.69 1myh h ILE 112 Ca 0.21 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.76 1myh h ILE 112 Cb 0.14 0.74 -0.06 0.00 -3.07 0.00 0.00 36.82 34.56 1myh h ILE 112 CO -0.16 0.00 0.29 1.56 -0.69 0.00 0.00 178.15 179.15 1myh h GLN 113 N -0.28 0.50 -0.33 2.37 4.20 -0.87 0.35 115.11 121.05 1myh h GLN 113 Ca -0.01 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 1myh h GLN 113 Cb 0.25 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1myh h GLN 113 CO -0.01 0.33 -0.41 0.28 -0.67 0.00 0.00 178.83 178.36 1myh h VAL 114 N 0.52 1.28 -0.25 -0.54 2.07 -1.03 -1.63 116.25 116.67 1myh h VAL 114 Ca 0.30 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 1myh h VAL 114 Cb 0.31 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1myh h VAL 114 CO -0.25 0.52 0.03 -0.07 0.02 0.00 0.00 177.57 177.82 1myh h LEU 115 N 0.65 0.40 -0.40 2.57 3.38 -0.61 -0.78 115.31 120.53 1myh h LEU 115 Ca 0.05 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.81 1myh h LEU 115 Cb 0.97 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1myh h LEU 115 CO 0.09 0.57 0.09 -0.61 0.09 0.00 0.00 178.44 178.67 1myh h GLN 116 N 0.22 0.22 0.29 1.13 5.75 -0.88 -0.14 115.11 121.69 1myh h GLN 116 Ca 0.07 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1myh h GLN 116 Cb 0.34 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1myh h GLN 116 CO 0.01 0.14 -0.14 0.77 -2.65 0.00 0.00 178.83 176.96 1myh h SER 117 N 0.23 -0.33 1.12 -0.69 0.02 -1.17 -3.14 113.55 109.59 1myh h SER 117 Ca 0.19 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1myh h SER 117 Cb 0.22 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1myh h SER 117 CO -0.24 -0.08 -0.81 0.11 -1.14 0.00 0.00 176.83 174.68 1myh h LYS 118 N -0.57 0.00 -1.38 3.45 1.57 -1.09 -3.41 116.57 115.14 1myh h LYS 118 Ca -0.04 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.31 1myh h LYS 118 Cb 0.42 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.32 1myh h LYS 118 CO 0.06 0.00 -1.10 0.72 -0.57 0.00 0.00 179.45 178.56 1myh n HIS 119 N -2.65 1.41 -0.22 -1.35 8.25 -0.07 -4.91 115.22 115.67 1myh n HIS 119 Ca 0.01 -3.15 0.14 0.00 -0.26 0.00 0.00 57.72 54.46 1myh n HIS 119 Cb 0.53 -0.35 0.43 0.00 1.12 0.00 0.00 29.99 31.72 1myh n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1myh h PRO 120 N 2.94 0.55 -0.66 -0.41 0.13 -1.71 -0.64 132.00 132.20 1myh h PRO 120 Ca 0.02 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 1myh h PRO 120 Cb 1.06 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.03 1myh h PRO 120 CO 0.57 0.37 0.23 0.78 -0.23 0.00 0.00 178.00 179.72 1myh h GLY 121 N 0.57 1.09 -0.05 1.56 0.00 -1.91 -3.03 103.07 101.30 1myh h GLY 121 Ca 0.41 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1myh h GLY 121 CO -0.17 0.58 -0.41 1.22 0.00 0.00 0.00 176.54 177.77 1myh n ASP 122 N -4.37 1.25 -3.44 0.19 9.92 -0.34 -4.60 116.55 115.18 1myh n ASP 122 Ca 0.05 -1.01 -0.27 0.00 -0.53 0.00 0.00 54.79 53.04 1myh n ASP 122 Cb 0.20 0.32 -0.08 0.00 -0.64 0.00 0.00 41.12 40.91 1myh n ASP 122 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1myh n PHE 123 N -0.64 2.55 -2.16 1.24 7.35 -0.67 -4.87 117.46 120.26 1myh n PHE 123 Ca 0.10 -4.02 -0.02 0.00 -0.76 0.00 0.00 57.45 52.75 1myh n PHE 123 Cb 0.38 -0.49 0.01 0.00 0.35 0.00 0.00 39.48 39.74 1myh n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1myh n GLY 124 N 1.20 0.56 0.33 7.13 0.00 -1.26 -4.69 105.19 108.47 1myh n GLY 124 Ca 0.27 -1.93 0.21 0.00 0.00 0.00 0.00 46.02 44.57 1myh n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myh h ALA 125 N -0.62 1.62 0.19 4.61 0.00 -1.97 0.90 119.26 123.99 1myh h ALA 125 Ca -0.03 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1myh h ALA 125 Cb 0.12 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1myh h ALA 125 CO 0.04 -0.68 -0.09 -0.44 0.00 0.00 0.00 179.25 178.07 1myh h ASP 126 N 0.08 -0.22 -0.49 0.00 5.19 -1.99 -1.67 116.42 117.32 1myh h ASP 126 Ca 0.69 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.79 1myh h ASP 126 Cb 1.60 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 41.15 1myh h ASP 126 CO -0.78 0.24 0.27 0.00 -3.12 0.00 0.00 179.24 175.85 1myh h ALA 127 N -0.11 0.63 -0.30 3.45 0.00 -1.81 -2.27 119.26 118.85 1myh h ALA 127 Ca -0.03 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1myh h ALA 127 Cb 0.51 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1myh h ALA 127 CO 0.04 0.15 -0.02 1.96 0.00 0.00 0.00 179.25 181.39 1myh h GLN 128 N 0.66 0.07 -0.19 0.00 4.20 -0.87 -1.06 115.11 117.92 1myh h GLN 128 Ca 0.17 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 1myh h GLN 128 Cb 0.05 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1myh h GLN 128 CO -0.03 0.04 -0.35 0.78 -0.67 0.00 0.00 178.83 178.60 1myh h GLY 129 N 0.07 0.44 0.56 3.46 0.00 -1.19 -1.91 103.07 104.49 1myh h GLY 129 Ca 0.15 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1myh h GLY 129 CO -0.26 0.37 -0.02 0.00 0.00 0.00 0.00 176.54 176.63 1myh h ALA 130 N 1.28 -0.05 -0.27 3.60 0.00 -1.21 -2.58 119.26 120.03 1myh h ALA 130 Ca 0.04 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1myh h ALA 130 Cb 0.79 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1myh h ALA 130 CO 0.06 -0.30 -0.06 1.98 0.00 0.00 0.00 179.25 180.93 1myh h MET 131 N -0.49 0.01 -0.44 0.00 -1.53 -1.26 -0.77 114.93 110.45 1myh h MET 131 Ca -0.00 -0.00 -0.12 0.00 -3.44 0.00 0.00 59.70 56.13 1myh h MET 131 Cb 0.45 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.49 1myh h MET 131 CO 0.01 0.01 -0.21 1.03 0.14 0.00 0.00 176.91 177.88 1myh h SER 132 N 0.01 0.89 -0.86 1.39 0.87 -1.37 -0.08 113.55 114.40 1myh h SER 132 Ca 0.13 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 1myh h SER 132 Cb 0.19 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 1myh h SER 132 CO -0.27 1.07 0.45 0.11 -0.53 0.00 0.00 176.83 177.66 1myh h LYS 133 N 0.76 1.21 -0.54 2.24 1.57 -1.35 -1.51 116.57 118.95 1myh h LYS 133 Ca 0.10 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1myh h LYS 133 Cb 0.75 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1myh h LYS 133 CO 0.06 0.91 -0.04 0.00 -0.57 0.00 0.00 179.45 179.80 1myh h ALA 134 N 1.24 0.90 -0.21 3.86 0.00 -0.85 -2.32 119.26 121.88 1myh h ALA 134 Ca 0.30 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1myh h ALA 134 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1myh h ALA 134 CO -0.04 0.64 -0.55 -0.07 0.00 0.00 0.00 179.25 179.23 1myh h LEU 135 N 0.87 0.84 -1.57 0.00 3.38 -0.86 -2.48 115.31 115.49 1myh h LEU 135 Ca 0.15 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1myh h LEU 135 Cb 0.57 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1myh h LEU 135 CO 0.03 1.27 -0.07 -0.08 0.09 0.00 0.00 178.44 179.68 1myh h GLU 136 N 0.46 0.19 0.56 1.13 4.81 -1.28 -1.36 114.58 119.09 1myh h GLU 136 Ca -0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1myh h GLU 136 Cb 1.16 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.52 1myh h GLU 136 CO 0.12 0.27 -0.27 1.25 -0.73 0.00 0.00 179.01 179.65 1myh h LEU 137 N 0.18 -0.64 -0.49 1.64 5.85 -1.21 -2.07 115.31 118.57 1myh h LEU 137 Ca 0.04 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1myh h LEU 137 Cb 0.24 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.34 1myh h LEU 137 CO 0.01 -0.24 -0.34 0.15 -0.34 0.00 0.00 178.44 177.68 1myh h PHE 138 N -1.15 -0.95 -0.02 1.25 3.57 -1.42 -0.36 116.94 117.86 1myh h PHE 138 Ca -0.08 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1myh h PHE 138 Cb 0.61 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 1myh h PHE 138 CO 0.01 -0.39 -0.00 0.00 -2.23 0.00 0.00 178.31 175.69 1myh h ARG 139 N -0.21 0.00 0.00 1.11 3.08 -1.26 0.29 114.38 117.38 1myh h ARG 139 Ca 0.20 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1myh h ARG 139 Cb 0.55 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1myh h ARG 139 CO -0.61 0.00 0.00 -2.95 -1.07 0.00 0.00 179.97 175.34 1myh h ASN 140 N 0.00 0.00 0.43 7.04 7.08 -1.19 -0.35 115.58 128.59 1myh h ASN 140 Ca 0.01 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 53.00 1myh h ASN 140 Cb 0.01 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.25 1myh h ASN 140 CO -0.02 0.00 -0.96 0.44 -2.08 0.00 0.00 177.43 174.81 1myh h ASP 141 N 0.00 0.45 -0.05 6.14 3.32 -0.52 -2.24 116.42 123.53 1myh h ASP 141 Ca 0.00 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 1myh h ASP 141 Cb 0.71 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1myh h ASP 141 CO 0.00 1.19 0.02 0.24 -1.72 0.00 0.00 179.24 178.97 1myh h MET 142 N 0.18 0.07 -0.88 3.56 2.86 0.17 -2.19 114.93 118.72 1myh h MET 142 Ca -0.08 -0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.73 1myh h MET 142 Cb 1.61 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 33.19 1myh h MET 142 CO 0.16 0.17 0.57 0.00 1.06 0.00 0.00 176.91 178.88 1myh h ALA 143 N 0.90 2.06 0.11 6.32 0.00 -1.02 0.27 119.26 127.90 1myh h ALA 143 Ca 0.02 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 1myh h ALA 143 Cb 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1myh h ALA 143 CO -0.00 -0.33 -1.20 0.00 0.00 0.00 0.00 179.25 177.72 1myh h ALA 144 N 1.62 0.13 0.10 0.00 0.00 -1.22 -3.11 119.26 116.78 1myh h ALA 144 Ca 0.45 -0.89 -0.21 0.00 0.00 0.00 0.00 54.91 54.26 1myh h ALA 144 Cb 0.98 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.77 1myh h ALA 144 CO -0.18 1.01 -0.89 -0.22 0.00 0.00 0.00 179.25 178.96 1myh h LYS 145 N 0.06 0.44 -0.61 0.00 3.64 0.07 -2.89 116.57 117.28 1myh h LYS 145 Ca -0.11 -0.60 0.09 0.00 -1.27 0.00 0.00 60.65 58.76 1myh h LYS 145 Cb 1.94 0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 33.85 1myh h LYS 145 CO 0.19 1.25 -0.44 1.88 -2.27 0.00 0.00 179.45 180.05 1myh h TYR 146 N -0.09 -1.32 -0.74 1.91 -1.99 -1.03 -0.94 116.97 112.78 1myh h TYR 146 Ca -0.14 0.09 0.13 0.00 2.00 0.00 0.00 58.73 60.80 1myh h TYR 146 Cb 1.64 0.66 -0.09 0.00 2.00 0.00 0.00 36.73 40.94 1myh h TYR 146 CO 0.16 -0.42 0.31 -0.22 -0.00 0.00 0.00 178.16 177.99 1myh h LYS 147 N -0.21 0.47 0.00 4.88 1.63 -1.57 0.25 116.57 122.01 1myh h LYS 147 Ca 0.18 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.83 1myh h LYS 147 Cb 0.56 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 1myh h LYS 147 CO -0.71 0.31 -0.59 1.49 -3.45 0.00 0.00 179.45 176.49 1myh h GLU 148 N 0.48 0.00 -0.00 1.90 4.81 -1.16 -2.06 114.58 118.56 1myh h GLU 148 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1myh h GLU 148 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1myh h GLU 148 CO -0.37 0.59 -0.18 1.28 -0.73 0.00 0.00 179.01 179.61 1myh n LEU 149 N -3.78 0.43 -0.41 1.64 4.77 -0.21 -4.92 117.00 114.52 1myh n LEU 149 Ca -0.01 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 1myh n LEU 149 Cb 0.61 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1myh n LEU 149 CO 0.42 0.09 -0.05 0.61 -1.33 0.00 0.00 177.39 177.12 1myh n GLY 150 N 1.37 0.77 3.78 -0.72 0.00 0.32 -5.04 105.19 105.67 1myh n GLY 150 Ca 0.11 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 1myh n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1myh s PHE 151 N -2.20 3.62 0.00 1.61 5.36 0.60 -4.86 117.98 122.11 1myh s PHE 151 Ca 0.00 1.75 0.00 0.00 -0.96 0.00 0.00 56.93 57.72 1myh s PHE 151 Cb 0.00 -2.93 0.00 0.00 -0.34 0.00 0.00 43.02 39.75 1myh s PHE 151 CO 0.00 0.10 0.00 0.00 -1.46 0.00 0.00 175.22 173.86 1myh n GLN 152 N 0.38 0.00 0.00 10.12 -0.00 -1.26 -3.99 117.38 122.64 1myh n GLN 152 Ca 0.03 0.00 0.10 0.00 -0.00 0.00 0.00 57.00 57.13 1myh n GLN 152 Cb 0.50 0.00 0.09 0.00 -0.00 0.00 0.00 30.24 30.83 1myh n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47