#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmh n GLU 2 N 0.00 1.83 -2.70 -1.09 0.00 -1.26 -4.86 120.64 112.56 2jmh n GLU 2 Ca 0.00 -3.18 -0.43 0.00 0.00 0.00 0.00 57.16 53.55 2jmh n GLU 2 Cb 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 31.44 29.67 2jmh n GLU 2 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2jmh n HIS 3 N -1.10 3.12 -3.03 -1.84 -0.00 -1.26 -5.00 115.22 106.10 2jmh n HIS 3 Ca 0.30 -2.87 -0.26 0.00 0.46 0.00 0.00 57.72 55.35 2jmh n HIS 3 Cb 0.96 -1.73 -0.01 0.00 -0.12 0.00 0.00 29.99 29.09 2jmh n HIS 3 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2jmh s LYS 4 N -0.66 3.54 0.40 1.57 -0.14 -1.26 -4.98 119.74 118.20 2jmh s LYS 4 Ca 0.36 -0.03 0.28 0.00 -1.36 0.00 0.00 55.97 55.23 2jmh s LYS 4 Cb 0.05 -2.53 1.18 0.00 -1.68 0.00 0.00 37.83 34.86 2jmh s LYS 4 CO 0.03 -0.00 1.84 -1.00 -0.76 0.00 0.00 175.35 175.46 2jmh h PRO 5 N 0.65 0.00 -6.34 -1.68 0.13 -2.04 -3.43 132.00 119.28 2jmh h PRO 5 Ca -0.48 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 2jmh h PRO 5 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2jmh h PRO 5 CO 0.62 0.00 -0.65 -1.59 -0.23 0.00 0.00 178.00 176.15 2jmh s LYS 6 N -3.49 2.47 -0.15 0.86 -2.85 -1.26 -5.12 119.74 110.20 2jmh s LYS 6 Ca 0.03 -1.03 -0.01 0.00 -1.00 0.00 0.00 55.97 53.96 2jmh s LYS 6 Cb 0.09 -2.42 0.04 0.00 -2.06 0.00 0.00 37.83 33.48 2jmh s LYS 6 CO 0.46 0.48 -0.04 0.21 0.10 0.00 0.00 175.35 176.55 2jmh s LYS 7 N -2.80 1.26 -1.44 1.78 2.47 -1.26 -4.77 119.74 114.98 2jmh s LYS 7 Ca 0.27 -0.38 0.00 0.00 -1.56 0.00 0.00 55.97 54.30 2jmh s LYS 7 Cb -0.10 -1.81 0.00 0.00 -1.46 0.00 0.00 37.83 34.46 2jmh s LYS 7 CO 0.19 -0.41 0.00 -3.47 0.16 0.00 0.00 175.35 171.82 2jmh n ASP 8 N 4.94 -4.79 -0.10 1.43 2.03 -1.26 -4.85 116.55 113.95 2jmh n ASP 8 Ca -0.11 0.13 -0.24 0.00 0.52 0.00 0.00 54.79 55.09 2jmh n ASP 8 Cb 0.48 -4.06 -0.11 0.00 -0.72 0.00 0.00 41.12 36.71 2jmh n ASP 8 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jmh n ASP 9 N -1.78 1.94 -0.04 1.67 -0.08 -1.26 -4.52 116.55 112.48 2jmh n ASP 9 Ca -0.19 0.32 -0.01 0.00 -1.51 0.00 0.00 54.79 53.41 2jmh n ASP 9 Cb 0.63 -0.87 -0.10 0.00 2.34 0.00 0.00 41.12 43.13 2jmh n ASP 9 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2jmh n PHE 10 N -4.16 0.00 -0.21 -0.67 -0.00 -1.26 -4.57 117.46 106.58 2jmh n PHE 10 Ca -0.40 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.06 2jmh n PHE 10 Cb 0.82 -0.46 0.12 0.00 -0.00 0.00 0.00 39.48 39.96 2jmh n PHE 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2jmh h ARG 11 N 0.00 0.31 -6.08 -4.13 2.47 -1.96 -3.46 114.38 101.53 2jmh h ARG 11 Ca -0.18 -0.02 -0.41 0.00 -1.26 0.00 0.00 59.98 58.11 2jmh h ARG 11 Cb 1.24 -0.07 0.07 0.00 -1.65 0.00 0.00 29.97 29.55 2jmh h ARG 11 CO 0.01 0.20 -0.85 0.09 0.56 0.00 0.00 179.97 179.98 2jmh n ASN 12 N -5.08 -2.20 -4.53 7.04 4.13 -1.26 -4.93 115.26 108.43 2jmh n ASN 12 Ca 0.10 -0.85 -0.30 0.00 1.68 0.00 0.00 54.58 55.20 2jmh n ASN 12 Cb 0.33 -3.99 0.21 0.00 -1.54 0.00 0.00 39.78 34.79 2jmh n ASN 12 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2jmh n GLU 13 N -4.18 -1.43 -2.59 3.52 4.07 -1.26 -3.41 120.64 115.36 2jmh n GLU 13 Ca -0.25 -0.37 -0.18 0.00 -0.06 0.00 0.00 57.16 56.30 2jmh n GLU 13 Cb 0.66 -2.19 0.01 0.00 -0.06 0.00 0.00 31.44 29.86 2jmh n GLU 13 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2jmh n PHE 14 N -4.55 -1.21 0.18 4.31 7.35 -1.26 -4.89 117.46 117.40 2jmh n PHE 14 Ca 0.07 0.20 0.04 0.00 -0.76 0.00 0.00 57.45 57.00 2jmh n PHE 14 Cb 0.54 -3.71 0.30 0.00 0.35 0.00 0.00 39.48 36.96 2jmh n PHE 14 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 2jmh h ASP 15 N -0.53 0.00 -5.52 -2.13 1.82 -1.93 -3.48 116.42 104.65 2jmh h ASP 15 Ca -0.43 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.14 2jmh h ASP 15 Cb 1.31 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.33 2jmh h ASP 15 CO 0.49 0.43 -0.17 1.41 -1.61 0.00 0.00 179.24 179.79 2jmh n HIS 16 N -3.62 -2.85 -4.37 0.28 8.25 -1.26 -5.04 115.22 106.61 2jmh n HIS 16 Ca -0.01 1.08 -0.19 0.00 -0.26 0.00 0.00 57.72 58.35 2jmh n HIS 16 Cb 0.53 -3.98 -0.10 0.00 1.12 0.00 0.00 29.99 27.55 2jmh n HIS 16 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jmh s LEU 17 N -4.22 2.36 0.00 2.41 1.43 -1.26 -5.04 118.68 114.36 2jmh s LEU 17 Ca 0.04 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 2jmh s LEU 17 Cb -0.01 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.77 2jmh s LEU 17 CO 0.76 -0.41 0.99 0.18 0.23 0.00 0.00 176.35 178.11 2jmh n LEU 18 N -0.47 0.00 -0.19 1.79 4.77 -1.26 -1.23 117.00 120.42 2jmh n LEU 18 Ca -0.06 0.99 0.25 0.00 -0.03 0.00 0.00 56.01 57.16 2jmh n LEU 18 Cb 0.63 -0.49 0.65 0.00 -2.33 0.00 0.00 43.42 41.88 2jmh n LEU 18 CO 0.37 -0.49 1.24 0.40 -1.33 0.00 0.00 177.39 177.58 2jmh h ILE 19 N 0.00 0.61 0.40 -0.08 1.08 -1.98 -1.07 117.51 116.47 2jmh h ILE 19 Ca 0.00 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 2jmh h ILE 19 Cb 0.00 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 2jmh h ILE 19 CO 0.00 0.03 -0.21 -0.08 -0.69 0.00 0.00 178.15 177.20 2jmh h GLU 20 N 0.14 -0.55 -0.72 2.37 4.57 -1.75 0.26 114.58 118.90 2jmh h GLU 20 Ca 0.43 0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.58 2jmh h GLU 20 Cb 1.47 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 30.15 2jmh h GLU 20 CO -0.07 -0.36 0.21 1.96 -1.18 0.00 0.00 179.01 179.56 2jmh h GLN 21 N -0.57 1.13 -0.60 1.92 4.20 0.04 -1.51 115.11 119.72 2jmh h GLN 21 Ca -0.05 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.36 2jmh h GLN 21 Cb 0.45 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2jmh h GLN 21 CO 0.08 0.98 0.22 0.00 -0.67 0.00 0.00 178.83 179.43 2jmh h ALA 22 N 1.10 0.78 -0.58 3.87 0.00 -1.11 -0.98 119.26 122.35 2jmh h ALA 22 Ca 0.23 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2jmh h ALA 22 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2jmh h ALA 22 CO -0.00 0.42 0.00 -0.91 0.00 0.00 0.00 179.25 178.76 2jmh h ASN 23 N 0.84 1.00 -0.53 0.00 2.35 -0.27 -1.49 115.58 117.49 2jmh h ASN 23 Ca 0.20 -0.31 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 2jmh h ASN 23 Cb 0.24 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2jmh h ASN 23 CO -0.01 1.06 0.08 -0.74 -1.65 0.00 0.00 177.43 176.17 2jmh h HIS 24 N 0.91 0.93 0.13 1.19 2.76 -1.07 0.56 115.15 120.56 2jmh h HIS 24 Ca 0.16 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2jmh h HIS 24 Cb 0.55 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.25 2jmh h HIS 24 CO 0.04 0.83 -0.06 0.00 -1.30 0.00 0.00 177.93 177.44 2jmh h ALA 25 N 0.98 -0.17 -0.17 5.26 0.00 -1.05 -1.51 119.26 122.59 2jmh h ALA 25 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2jmh h ALA 25 Cb 0.41 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jmh h ALA 25 CO 0.01 -0.49 -0.11 -0.84 0.00 0.00 0.00 179.25 177.82 2jmh h ILE 26 N -0.39 1.18 0.24 0.00 3.07 -1.25 -1.43 117.51 118.94 2jmh h ILE 26 Ca -0.02 -0.76 -0.01 0.00 1.55 0.00 0.00 64.86 65.62 2jmh h ILE 26 Cb 0.31 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.03 2jmh h ILE 26 CO 0.03 0.24 -0.12 -0.08 -1.05 0.00 0.00 178.15 177.17 2jmh h GLU 27 N 0.26 -0.31 -0.70 0.16 4.81 -0.72 0.07 114.58 118.16 2jmh h GLU 27 Ca 0.05 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2jmh h GLU 27 Cb 0.36 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 2jmh h GLU 27 CO 0.02 -0.01 0.42 -0.22 -0.73 0.00 0.00 179.01 178.49 2jmh h LYS 28 N -0.62 0.95 -0.35 1.92 3.11 -1.16 -1.21 116.57 119.21 2jmh h LYS 28 Ca -0.03 -0.09 -0.09 0.00 -2.81 0.00 0.00 60.65 57.63 2jmh h LYS 28 Cb 0.45 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.46 2jmh h LYS 28 CO 0.05 0.68 -0.14 0.78 -2.81 0.00 0.00 179.45 178.01 2jmh h GLY 29 N 0.95 0.68 1.07 5.01 0.00 -1.25 -1.37 103.07 108.17 2jmh h GLY 29 Ca 0.25 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 2jmh h GLY 29 CO -0.05 0.46 -0.33 -2.09 0.00 0.00 0.00 176.54 174.54 2jmh h GLU 30 N 0.57 0.87 0.22 4.80 4.81 -0.56 -0.64 114.58 124.66 2jmh h GLU 30 Ca 0.10 -0.45 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 2jmh h GLU 30 Cb 0.57 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2jmh h GLU 30 CO 0.04 1.09 -0.11 1.25 -0.73 0.00 0.00 179.01 180.55 2jmh h HIS 31 N 0.67 -0.28 -0.89 0.92 2.76 -1.10 -1.20 115.15 116.04 2jmh h HIS 31 Ca 0.06 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2jmh h HIS 31 Cb 0.92 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.92 2jmh h HIS 31 CO 0.06 0.07 0.56 -0.56 -1.30 0.00 0.00 177.93 176.76 2jmh h GLN 32 N -0.66 1.19 0.15 5.26 -0.00 -1.31 -1.52 115.11 118.23 2jmh h GLN 32 Ca -0.03 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.65 58.52 2jmh h GLN 32 Cb 0.46 -0.26 0.00 0.00 -0.00 0.00 0.00 27.48 27.69 2jmh h GLN 32 CO 0.05 0.82 -0.07 1.25 -0.00 0.00 0.00 178.83 180.87 2jmh h LEU 33 N 1.22 -0.17 -0.59 0.06 7.12 -1.09 0.27 115.31 122.13 2jmh h LEU 33 Ca 0.32 -0.14 0.06 0.00 0.13 0.00 0.00 57.88 58.25 2jmh h LEU 33 Cb -0.09 0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 40.03 2jmh h LEU 33 CO -0.06 0.04 0.29 -0.07 -0.13 0.00 0.00 178.44 178.51 2jmh h LEU 34 N -0.38 0.41 -0.34 2.25 3.38 -1.00 0.65 115.31 120.27 2jmh h LEU 34 Ca -0.02 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2jmh h LEU 34 Cb 0.30 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2jmh h LEU 34 CO 0.03 0.27 -0.11 0.22 0.09 0.00 0.00 178.44 178.94 2jmh h TYR 35 N 0.55 0.78 -0.01 1.13 5.03 -1.19 -2.89 116.97 120.36 2jmh h TYR 35 Ca 0.27 -0.18 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 2jmh h TYR 35 Cb 0.20 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.29 2jmh h TYR 35 CO -0.11 0.86 -0.12 -0.07 -1.32 0.00 0.00 178.16 177.41 2jmh h LEU 36 N 0.47 0.02 -1.47 2.82 3.38 0.05 -2.32 115.31 118.25 2jmh h LEU 36 Ca 0.08 -0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.26 2jmh h LEU 36 Cb 0.63 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 2jmh h LEU 36 CO 0.04 0.14 0.61 -0.61 0.09 0.00 0.00 178.44 178.70 2jmh h GLN 37 N 0.02 0.42 0.35 1.13 5.75 -0.66 -1.22 115.11 120.90 2jmh h GLN 37 Ca 0.00 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 2jmh h GLN 37 Cb 0.22 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.68 2jmh h GLN 37 CO 0.02 0.28 -0.17 0.45 -2.65 0.00 0.00 178.83 176.75 2jmh h HIS 38 N 0.43 -0.44 -0.84 3.99 3.86 -1.53 -0.78 115.15 119.84 2jmh h HIS 38 Ca 0.49 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.79 2jmh h HIS 38 Cb 1.18 0.14 -0.08 0.00 1.06 0.00 0.00 27.41 29.72 2jmh h HIS 38 CO -0.00 -0.13 0.47 1.96 0.86 0.00 0.00 177.93 181.09 2jmh h GLN 39 N -0.73 0.74 -0.28 2.45 1.08 -1.42 -1.50 115.11 115.46 2jmh h GLN 39 Ca -0.05 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 2jmh h GLN 39 Cb 0.50 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2jmh h GLN 39 CO 0.08 0.49 0.07 1.25 -0.95 0.00 0.00 178.83 179.77 2jmh h LEU 40 N 0.77 0.43 -0.26 1.46 7.12 -1.20 0.21 115.31 123.84 2jmh h LEU 40 Ca 0.42 -0.24 0.05 0.00 0.13 0.00 0.00 57.88 58.24 2jmh h LEU 40 Cb 0.43 -0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 40.40 2jmh h LEU 40 CO -0.27 0.55 -0.07 -0.78 -0.13 0.00 0.00 178.44 177.74 2jmh h ASP 41 N 0.28 -0.25 0.03 1.25 3.58 -0.32 0.93 116.42 121.92 2jmh h ASP 41 Ca 0.09 0.08 -0.14 0.00 0.42 0.00 0.00 57.03 57.47 2jmh h ASP 41 Cb 0.29 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2jmh h ASP 41 CO 0.00 -0.09 -0.48 1.05 -2.88 0.00 0.00 179.24 176.85 2jmh h GLU 42 N -0.00 0.52 0.00 0.28 4.11 -1.23 -2.93 114.58 115.33 2jmh h GLU 42 Ca 0.13 -0.29 -0.05 0.00 0.07 0.00 0.00 59.36 59.21 2jmh h GLU 42 Cb 0.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2jmh h GLU 42 CO -0.27 0.89 -0.22 1.25 0.07 0.00 0.00 179.01 180.73 2jmh h LEU 43 N 0.41 0.00 0.11 3.06 6.46 0.12 0.31 115.31 125.79 2jmh h LEU 43 Ca 0.02 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2jmh h LEU 43 Cb 0.99 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.90 2jmh h LEU 43 CO 0.09 0.22 -0.14 0.78 -0.62 0.00 0.00 178.44 178.76 2jmh h ASN 44 N 0.00 -0.39 0.05 1.25 4.21 -0.64 0.39 115.58 120.44 2jmh h ASN 44 Ca -0.00 0.04 -0.13 0.00 1.21 0.00 0.00 56.30 57.42 2jmh h ASN 44 Cb 0.40 0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.74 2jmh h ASN 44 CO 0.03 -0.21 -0.66 -0.33 -1.29 0.00 0.00 177.43 174.96 2jmh h GLU 45 N -0.30 0.10 -0.24 0.81 4.39 -1.61 -3.32 114.58 114.42 2jmh h GLU 45 Ca 0.01 -0.17 0.07 0.00 0.34 0.00 0.00 59.36 59.61 2jmh h GLU 45 Cb 0.30 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2jmh h GLU 45 CO -0.06 1.08 0.18 -0.91 -1.16 0.00 0.00 179.01 178.14 2jmh h ASN 46 N -0.75 0.00 -6.43 1.42 2.35 -0.44 -3.45 115.58 108.28 2jmh h ASN 46 Ca -0.15 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.10 2jmh h ASN 46 Cb 1.32 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.62 2jmh h ASN 46 CO -0.00 0.00 -0.81 0.29 -1.65 0.00 0.00 177.43 175.26 2jmh n LYS 47 N -4.33 -4.43 -2.38 0.81 4.76 0.14 -4.87 118.16 107.85 2jmh n LYS 47 Ca 0.03 0.51 -0.43 0.00 -2.87 0.00 0.00 58.31 55.55 2jmh n LYS 47 Cb 0.33 -5.18 -0.02 0.00 -1.84 0.00 0.00 35.03 28.32 2jmh n LYS 47 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2jmh s SER 48 N -3.63 6.68 0.11 4.39 1.04 -1.25 -4.85 113.70 116.20 2jmh s SER 48 Ca 0.49 1.34 -0.21 0.00 0.48 0.00 0.00 55.95 58.04 2jmh s SER 48 Cb -0.25 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.22 2jmh s SER 48 CO 0.86 -1.05 1.75 0.07 0.98 0.00 0.00 173.24 175.86 2jmh h LYS 49 N 9.28 0.10 -0.44 4.02 2.10 -1.90 -0.96 116.57 128.78 2jmh h LYS 49 Ca -0.27 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.36 2jmh h LYS 49 Cb 1.11 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.39 2jmh h LYS 49 CO 1.02 0.07 0.23 0.93 -2.00 0.00 0.00 179.45 179.70 2jmh h GLU 50 N 0.11 0.62 -0.67 0.07 4.39 -1.91 -1.50 114.58 115.68 2jmh h GLU 50 Ca 0.04 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.69 2jmh h GLU 50 Cb -0.00 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 2jmh h GLU 50 CO -0.02 0.50 0.44 1.25 -1.16 0.00 0.00 179.01 180.03 2jmh h LEU 51 N 0.57 0.70 -0.09 1.33 5.85 -1.91 -0.69 115.31 121.07 2jmh h LEU 51 Ca 0.15 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2jmh h LEU 51 Cb 0.07 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 2jmh h LEU 51 CO -0.02 0.49 -0.08 -0.61 -0.34 0.00 0.00 178.44 177.88 2jmh h GLN 52 N 0.82 0.20 -0.30 1.25 -0.00 -0.71 0.33 115.11 116.70 2jmh h GLN 52 Ca 0.27 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.65 58.80 2jmh h GLN 52 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 2jmh h GLN 52 CO -0.07 0.62 0.13 0.93 0.00 0.00 0.00 178.83 180.44 2jmh h GLU 53 N -0.21 0.41 0.02 1.69 5.08 -0.88 0.25 114.58 120.93 2jmh h GLU 53 Ca 0.01 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2jmh h GLU 53 Cb 0.58 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2jmh h GLU 53 CO 0.02 0.33 -0.29 0.87 -1.00 0.00 0.00 179.01 178.93 2jmh h LYS 54 N 0.41 0.16 -0.26 2.33 1.79 -1.06 -2.77 116.57 117.17 2jmh h LYS 54 Ca 0.11 -0.20 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 2jmh h LYS 54 Cb 0.06 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2jmh h LYS 54 CO -0.01 0.98 0.09 0.82 -1.08 0.00 0.00 179.45 180.25 2jmh h ILE 55 N -0.56 1.19 -0.31 1.86 2.04 -0.69 -1.34 117.51 119.69 2jmh h ILE 55 Ca -0.04 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 2jmh h ILE 55 Cb 1.10 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2jmh h ILE 55 CO 0.06 0.19 0.16 -0.29 0.00 0.00 0.00 178.15 178.27 2jmh h ILE 56 N 0.26 1.10 0.20 -0.67 2.10 -0.64 0.38 117.51 120.24 2jmh h ILE 56 Ca 0.08 -0.27 -0.01 0.00 1.08 0.00 0.00 64.86 65.74 2jmh h ILE 56 Cb 0.22 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 36.64 2jmh h ILE 56 CO -0.00 0.11 -0.10 0.03 -1.08 0.00 0.00 178.15 177.11 2jmh h ARG 57 N 0.43 -0.26 -0.69 2.19 -0.00 -1.18 -0.25 114.38 114.62 2jmh h ARG 57 Ca 0.11 0.02 -0.07 0.00 -0.50 0.00 0.00 59.98 59.54 2jmh h ARG 57 Cb 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 29.97 30.03 2jmh h ARG 57 CO -0.02 0.13 0.17 1.49 0.00 0.00 0.00 179.97 181.74 2jmh h GLU 58 N -0.83 1.09 -0.39 0.04 4.81 -1.09 -1.82 114.58 116.40 2jmh h GLU 58 Ca -0.03 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 58.83 2jmh h GLU 58 Cb 0.52 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2jmh h GLU 58 CO 0.05 0.96 -0.26 1.25 -0.73 0.00 0.00 179.01 180.28 2jmh h LEU 59 N 1.03 0.82 0.28 1.64 5.85 -0.32 -0.81 115.31 123.80 2jmh h LEU 59 Ca 0.22 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2jmh h LEU 59 Cb 0.36 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2jmh h LEU 59 CO 0.00 1.03 -0.13 -0.78 -0.34 0.00 0.00 178.44 178.22 2jmh h ASP 60 N 0.69 -0.31 -0.54 1.25 3.58 -0.77 0.28 116.42 120.60 2jmh h ASP 60 Ca 0.09 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2jmh h ASP 60 Cb 0.78 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 2jmh h ASP 60 CO 0.06 -0.04 0.29 1.62 -2.88 0.00 0.00 179.24 178.29 2jmh h VAL 61 N -0.59 1.19 0.51 2.25 3.04 -1.35 0.96 116.25 122.25 2jmh h VAL 61 Ca -0.04 -0.48 -0.02 0.00 -1.01 0.00 0.00 66.70 65.14 2jmh h VAL 61 Cb 0.43 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.23 2jmh h VAL 61 CO 0.06 0.20 -0.24 0.58 -1.01 0.00 0.00 177.57 177.16 2jmh h VAL 62 N 0.73 0.39 -0.14 1.51 2.07 -1.12 -1.76 116.25 117.92 2jmh h VAL 62 Ca 0.19 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.37 2jmh h VAL 62 Cb 0.06 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2jmh h VAL 62 CO -0.03 0.05 0.11 0.00 0.02 0.00 0.00 177.57 177.72 2jmh h ALA 64 N 1.92 -0.69 -0.77 0.00 0.00 -0.65 0.65 119.26 119.73 2jmh h ALA 64 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2jmh h ALA 64 Cb 0.28 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2jmh h ALA 64 CO -0.00 -0.67 0.38 0.00 0.00 0.00 0.00 179.25 178.96 2jmh h MET 65 N -1.11 1.08 -0.19 0.00 -0.00 -1.06 -1.65 114.93 112.01 2jmh h MET 65 Ca -0.07 -0.14 -0.03 0.00 -0.00 0.00 0.00 59.70 59.46 2jmh h MET 65 Cb 0.58 -0.20 -0.01 0.00 -0.00 0.00 0.00 31.60 31.97 2jmh h MET 65 CO 0.12 0.82 -0.01 0.82 -0.00 0.00 0.00 176.91 178.65 2jmh h ILE 66 N 1.08 1.26 0.16 -0.10 5.03 -0.92 -1.22 117.51 122.81 2jmh h ILE 66 Ca 0.27 -0.91 0.00 0.00 -0.12 0.00 0.00 64.86 64.10 2jmh h ILE 66 Cb 0.08 1.50 -0.01 0.00 -3.03 0.00 0.00 36.82 35.36 2jmh h ILE 66 CO -0.04 0.27 -0.14 -0.33 -0.68 0.00 0.00 178.15 177.24 2jmh h GLU 67 N 0.08 -0.31 0.21 2.37 5.08 -0.63 0.27 114.58 121.65 2jmh h GLU 67 Ca 0.05 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2jmh h GLU 67 Cb 0.42 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jmh h GLU 67 CO 0.01 -0.20 -0.12 0.78 -1.00 0.00 0.00 179.01 178.47 2jmh h GLY 68 N -0.32 -0.33 0.95 -3.84 0.00 -1.32 -1.30 103.07 96.91 2jmh h GLY 68 Ca -0.00 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.48 2jmh h GLY 68 CO -0.03 -0.13 0.47 0.00 0.00 0.00 0.00 176.54 176.85 2jmh h ALA 69 N 0.46 0.93 0.16 3.60 0.00 -1.14 -1.50 119.26 121.78 2jmh h ALA 69 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jmh h ALA 69 Cb 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jmh h ALA 69 CO 0.02 0.30 -0.17 1.96 0.00 0.00 0.00 179.25 181.36 2jmh h GLN 70 N 0.94 -0.36 -0.51 0.00 4.20 -0.25 0.26 115.11 119.40 2jmh h GLN 70 Ca 0.28 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.04 2jmh h GLN 70 Cb -0.06 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2jmh h GLN 70 CO -0.08 -0.24 0.30 0.78 -0.67 0.00 0.00 178.83 178.92 2jmh h GLY 71 N -0.37 0.71 0.78 3.46 0.00 -1.02 0.21 103.07 106.84 2jmh h GLY 71 Ca 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 2jmh h GLY 71 CO -0.05 0.18 -0.35 0.00 0.00 0.00 0.00 176.54 176.32 2jmh h ALA 72 N 1.23 -0.99 -0.08 3.60 0.00 -1.05 -0.46 119.26 121.50 2jmh h ALA 72 Ca 0.21 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2jmh h ALA 72 Cb 0.03 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2jmh h ALA 72 CO -0.10 -0.94 -0.23 1.25 0.00 0.00 0.00 179.25 179.23 2jmh h LEU 73 N -1.22 -0.69 -0.18 0.00 6.46 -0.45 0.22 115.31 119.45 2jmh h LEU 73 Ca -0.10 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.81 2jmh h LEU 73 Cb 0.77 0.30 -0.05 0.00 -0.73 0.00 0.00 40.66 40.95 2jmh h LEU 73 CO 0.17 -0.28 -0.15 -0.33 -0.62 0.00 0.00 178.44 177.22 2jmh h GLU 74 N -0.32 -0.15 0.00 1.25 5.08 -0.64 0.26 114.58 120.06 2jmh h GLU 74 Ca 0.08 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2jmh h GLU 74 Cb 0.44 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jmh h GLU 74 CO -0.26 -0.10 -0.08 0.00 -1.00 0.00 0.00 179.01 177.57 2jmh h ARG 75 N -0.16 0.00 0.07 2.33 2.47 -0.65 0.29 114.38 118.73 2jmh h ARG 75 Ca 0.11 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2jmh h ARG 75 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2jmh h ARG 75 CO -0.27 0.08 -0.03 1.49 0.56 0.00 0.00 179.97 181.79 2jmh h GLU 76 N 0.00 -0.09 -0.40 0.04 4.57 0.13 -3.09 114.58 115.75 2jmh h GLU 76 Ca -0.00 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 2jmh h GLU 76 Cb 0.18 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2jmh h GLU 76 CO 0.01 0.43 -0.13 1.37 -1.18 0.00 0.00 179.01 179.52 2jmh h LEU 77 N -0.94 0.71 -0.79 1.64 8.10 -0.42 -2.08 115.31 121.53 2jmh h LEU 77 Ca -0.01 -0.21 0.00 0.00 0.11 0.00 0.00 57.88 57.77 2jmh h LEU 77 Cb 0.56 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 2jmh h LEU 77 CO 0.01 0.85 0.00 0.29 -4.11 0.00 0.00 178.44 175.49 2jmh n LYS 78 N -4.16 0.15 -0.30 0.17 4.76 0.10 -2.87 118.16 116.00 2jmh n LYS 78 Ca 0.01 0.47 0.08 0.00 -2.87 0.00 0.00 58.31 56.00 2jmh n LYS 78 Cb 0.36 -1.84 0.24 0.00 -1.84 0.00 0.00 35.03 31.96 2jmh n LYS 78 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2jmh h ARG 79 N 0.00 0.61 -1.95 1.97 9.65 -1.28 -3.43 114.38 119.95 2jmh h ARG 79 Ca 0.00 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 2jmh h ARG 79 Cb 0.23 -0.14 -0.22 0.00 -1.39 0.00 0.00 29.97 28.46 2jmh h ARG 79 CO 0.00 0.40 0.14 0.95 2.80 0.00 0.00 179.97 184.27 2jmh s THR 80 N -5.95 0.00 -0.30 0.20 -4.23 -1.14 -5.14 115.64 99.09 2jmh s THR 80 Ca -0.12 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.22 2jmh s THR 80 Cb 0.22 -1.00 0.19 0.00 1.34 0.00 0.00 72.50 73.25 2jmh s THR 80 CO 0.78 0.00 1.21 1.51 -0.54 0.00 0.00 174.62 177.58 2jmh s ASP 81 N 0.63 -0.18 -0.35 3.99 -4.77 -1.26 -4.94 116.67 109.78 2jmh s ASP 81 Ca -0.02 0.30 0.06 0.00 -3.30 0.00 0.00 52.55 49.59 2jmh s ASP 81 Cb -0.05 0.95 0.19 0.00 -1.09 0.00 0.00 42.92 42.92 2jmh s ASP 81 CO -0.04 -0.05 0.63 -0.22 0.70 0.00 0.00 175.17 176.19 2jmh s LEU 82 N 0.96 -1.54 -0.29 2.11 1.98 -1.26 -5.01 118.68 115.62 2jmh s LEU 82 Ca -0.06 -0.29 -0.38 0.00 -2.89 0.00 0.00 54.13 50.51 2jmh s LEU 82 Cb -0.03 1.96 0.16 0.00 0.66 0.00 0.00 46.19 48.94 2jmh s LEU 82 CO -0.12 -0.23 1.38 0.20 -1.89 0.00 0.00 176.35 175.70 2jmh s ASN 83 N 2.34 -0.01 0.08 3.68 -0.87 -1.26 -4.98 114.94 113.91 2jmh s ASN 83 Ca 0.13 0.00 -0.33 0.00 -1.57 0.00 0.00 52.86 51.10 2jmh s ASN 83 Cb -0.07 0.01 -0.18 0.00 -0.02 0.00 0.00 41.25 41.00 2jmh s ASN 83 CO -0.16 -0.02 1.62 0.40 -2.57 0.00 0.00 177.10 176.37 2jmh h ILE 84 N 2.00 0.30 -0.20 0.60 1.08 -2.01 0.27 117.51 119.55 2jmh h ILE 84 Ca -0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 2jmh h ILE 84 Cb 1.13 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 2jmh h ILE 84 CO 0.19 0.00 0.11 0.25 -0.69 0.00 0.00 178.15 178.00 2jmh h LEU 85 N -0.89 0.25 -1.06 1.44 6.46 -1.99 -1.33 115.31 118.19 2jmh h LEU 85 Ca -0.08 -0.09 0.06 0.00 -0.12 0.00 0.00 57.88 57.65 2jmh h LEU 85 Cb 0.71 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.51 2jmh h LEU 85 CO 0.10 0.27 0.63 -0.33 -0.62 0.00 0.00 178.44 178.49 2jmh h GLU 86 N 0.21 1.12 -0.21 1.25 4.39 -1.92 -1.06 114.58 118.36 2jmh h GLU 86 Ca 0.07 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2jmh h GLU 86 Cb 0.08 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 2jmh h GLU 86 CO -0.01 0.74 0.01 -0.09 -1.16 0.00 0.00 179.01 178.49 2jmh h ARG 87 N 1.15 0.36 0.50 2.33 2.43 -0.13 -0.67 114.38 120.35 2jmh h ARG 87 Ca 0.41 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2jmh h ARG 87 Cb 0.14 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2jmh h ARG 87 CO -0.15 0.55 -0.30 0.35 -1.51 0.00 0.00 179.97 178.90 2jmh h PHE 88 N 0.13 -0.80 -0.50 2.20 3.57 -0.74 0.27 116.94 121.06 2jmh h PHE 88 Ca 0.06 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.60 2jmh h PHE 88 Cb 0.38 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 2jmh h PHE 88 CO 0.03 -0.47 0.25 -0.91 -2.23 0.00 0.00 178.31 174.99 2jmh h ASN 89 N -0.76 0.35 -0.79 0.41 4.21 -1.24 -1.59 115.58 116.17 2jmh h ASN 89 Ca -0.06 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.46 2jmh h ASN 89 Cb 0.62 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.75 2jmh h ASN 89 CO 0.06 0.25 0.40 1.88 -1.29 0.00 0.00 177.43 178.73 2jmh h TYR 90 N 0.49 1.11 0.43 1.19 -1.99 -0.93 0.01 116.97 117.28 2jmh h TYR 90 Ca 0.22 -0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.89 2jmh h TYR 90 Cb 0.14 -0.35 -0.00 0.00 2.00 0.00 0.00 36.73 38.52 2jmh h TYR 90 CO -0.11 0.80 -0.24 1.49 -0.00 0.00 0.00 178.16 180.10 2jmh h GLU 91 N 1.10 -0.60 -0.28 4.88 4.22 0.19 -1.36 114.58 122.73 2jmh h GLU 91 Ca 0.27 0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.72 2jmh h GLU 91 Cb 0.08 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2jmh h GLU 91 CO -0.04 -0.40 0.03 1.49 -2.18 0.00 0.00 179.01 177.90 2jmh h GLU 92 N -0.63 0.41 0.67 1.92 4.81 -1.20 -1.27 114.58 119.29 2jmh h GLU 92 Ca -0.05 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2jmh h GLU 92 Cb 0.50 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.82 2jmh h GLU 92 CO 0.07 0.42 -0.32 0.00 -0.73 0.00 0.00 179.01 178.44 2jmh h ALA 93 N 1.63 -0.90 -0.09 2.92 0.00 -0.60 -0.94 119.26 121.28 2jmh h ALA 93 Ca 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2jmh h ALA 93 Cb 0.23 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2jmh h ALA 93 CO 0.00 -0.98 -0.15 -0.56 0.00 0.00 0.00 179.25 177.56 2jmh h GLN 94 N -0.95 0.14 0.21 0.00 3.07 -1.15 -1.50 115.11 114.93 2jmh h GLN 94 Ca -0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.61 2jmh h GLN 94 Cb 0.71 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.25 2jmh h GLN 94 CO 0.15 0.30 -0.10 1.15 0.09 0.00 0.00 178.83 180.42 2jmh h THR 95 N 0.13 0.86 -0.59 1.86 2.02 -1.00 -0.87 112.91 115.32 2jmh h THR 95 Ca 0.03 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 2jmh h THR 95 Cb 0.35 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2jmh h THR 95 CO 0.02 0.09 0.13 -0.07 0.37 0.00 0.00 175.52 176.06 2jmh h LEU 96 N -0.48 0.91 -0.35 2.58 3.38 -1.02 -2.00 115.31 118.32 2jmh h LEU 96 Ca -0.03 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2jmh h LEU 96 Cb 0.37 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2jmh h LEU 96 CO 0.05 0.92 0.20 0.77 0.09 0.00 0.00 178.44 180.47 2jmh h SER 97 N 0.86 0.33 -0.08 -0.43 4.64 -1.23 -0.55 113.55 117.08 2jmh h SER 97 Ca 0.18 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2jmh h SER 97 Cb 0.38 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2jmh h SER 97 CO 0.01 0.24 0.05 0.11 -0.87 0.00 0.00 176.83 176.36 2jmh h LYS 98 N 0.42 0.11 -0.19 4.77 1.57 -1.02 -1.09 116.57 121.13 2jmh h LYS 98 Ca 0.14 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 2jmh h LYS 98 Cb 0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2jmh h LYS 98 CO -0.06 0.15 -0.05 0.82 -0.57 0.00 0.00 179.45 179.74 2jmh h ILE 99 N 0.05 0.81 -0.88 1.86 2.04 -1.14 -1.63 117.51 118.62 2jmh h ILE 99 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.92 2jmh h ILE 99 Cb 0.07 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2jmh h ILE 99 CO -0.00 0.00 0.57 0.25 0.00 0.00 0.00 178.15 178.96 2jmh h LEU 100 N -0.00 0.94 0.24 1.44 5.85 -0.98 -1.74 115.31 121.06 2jmh h LEU 100 Ca 0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2jmh h LEU 100 Cb 0.14 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2jmh h LEU 100 CO -0.20 0.64 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.27 2jmh h LEU 101 N 1.10 -0.55 -0.37 2.25 -0.00 -0.56 0.32 115.31 117.49 2jmh h LEU 101 Ca 0.35 0.05 0.06 0.00 -0.00 0.00 0.00 57.88 58.33 2jmh h LEU 101 Cb 0.01 0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 40.81 2jmh h LEU 101 CO -0.12 -0.32 0.08 0.11 -0.00 0.00 0.00 178.44 178.20 2jmh h LYS 102 N -0.47 0.20 -0.32 1.13 1.57 -1.04 -0.43 116.57 117.22 2jmh h LYS 102 Ca -0.01 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2jmh h LYS 102 Cb 0.43 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2jmh h LYS 102 CO -0.03 0.13 0.13 -0.44 -0.57 0.00 0.00 179.45 178.67 2jmh h ASP 103 N 0.21 0.17 -0.13 0.86 3.32 -1.08 -1.47 116.42 118.29 2jmh h ASP 103 Ca 0.18 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2jmh h ASP 103 Cb 0.20 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2jmh h ASP 103 CO -0.23 0.13 0.05 0.17 -1.72 0.00 0.00 179.24 177.65 2jmh h LEU 104 N 0.28 0.22 -0.16 1.55 8.10 -0.39 -1.26 115.31 123.66 2jmh h LEU 104 Ca 0.14 -0.02 -0.04 0.00 0.11 0.00 0.00 57.88 58.07 2jmh h LEU 104 Cb 0.09 -0.06 -0.00 0.00 -0.44 0.00 0.00 40.66 40.24 2jmh h LEU 104 CO -0.12 0.23 -0.05 0.11 -4.11 0.00 0.00 178.44 174.49 2jmh h LYS 105 N 0.25 0.31 -0.70 0.17 6.56 -0.12 -1.40 116.57 121.64 2jmh h LYS 105 Ca 0.06 -0.13 -0.07 0.00 -1.06 0.00 0.00 60.65 59.46 2jmh h LYS 105 Cb 0.09 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.70 2jmh h LYS 105 CO -0.00 0.61 0.16 1.49 -2.06 0.00 0.00 179.45 179.65 2jmh h GLU 106 N 0.00 1.13 0.29 3.15 4.57 -0.91 -1.47 114.58 121.35 2jmh h GLU 106 Ca 0.04 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 2jmh h GLU 106 Cb 0.50 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2jmh h GLU 106 CO 0.02 1.00 -0.14 1.15 -1.18 0.00 0.00 179.01 179.86 2jmh h THR 107 N 1.07 0.75 -0.13 0.32 2.02 -1.21 -1.18 112.91 114.56 2jmh h THR 107 Ca 0.22 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 67.09 2jmh h THR 107 Cb 0.38 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 2jmh h THR 107 CO 0.00 0.07 -0.05 -0.08 0.37 0.00 0.00 175.52 175.83 2jmh h GLU 108 N -0.56 -0.03 -0.18 6.66 4.81 -1.22 -0.98 114.58 123.07 2jmh h GLU 108 Ca -0.04 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 2jmh h GLU 108 Cb 0.41 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 2jmh h GLU 108 CO 0.06 -0.02 -0.11 1.96 -0.73 0.00 0.00 179.01 180.17 2jmh h GLN 109 N -0.03 -0.10 -0.37 1.92 1.08 -1.25 -1.11 115.11 115.25 2jmh h GLN 109 Ca 0.07 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.33 2jmh h GLN 109 Cb 0.13 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.54 2jmh h GLN 109 CO -0.15 -0.07 0.07 0.87 -0.95 0.00 0.00 178.83 178.61 2jmh h LYS 110 N -0.10 0.19 -0.66 1.46 1.57 -0.91 0.41 116.57 118.52 2jmh h LYS 110 Ca 0.11 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2jmh h LYS 110 Cb 0.26 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 2jmh h LYS 110 CO -0.25 0.13 0.35 0.28 -0.57 0.00 0.00 179.45 179.38 2jmh h VAL 111 N 0.20 0.92 -0.05 0.50 2.07 -0.67 -0.79 116.25 118.43 2jmh h VAL 111 Ca 0.17 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 2jmh h VAL 111 Cb 0.20 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2jmh h VAL 111 CO -0.23 0.11 -0.37 0.11 0.02 0.00 0.00 177.57 177.22 2jmh h LYS 112 N 0.62 0.11 0.19 1.57 1.57 -0.51 -3.16 116.57 116.96 2jmh h LYS 112 Ca 0.31 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2jmh h LYS 112 Cb 0.25 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2jmh h LYS 112 CO -0.21 0.47 -0.09 0.22 -0.57 0.00 0.00 179.45 179.27 2jmh h ASP 113 N 0.09 -0.21 -2.80 0.86 3.58 0.42 -3.43 116.42 114.92 2jmh h ASP 113 Ca 0.01 -0.23 -0.56 0.00 0.42 0.00 0.00 57.03 56.67 2jmh h ASP 113 Cb 0.70 0.06 0.08 0.00 1.72 0.00 0.00 39.33 41.88 2jmh h ASP 113 CO 0.05 0.13 0.80 -0.38 -2.88 0.00 0.00 179.24 176.96 2jmh n ILE 114 N -5.06 0.65 -3.83 2.25 -0.00 -0.53 -4.98 119.36 107.86 2jmh n ILE 114 Ca -0.09 -0.16 -0.35 0.00 -0.00 0.00 0.00 62.75 62.15 2jmh n ILE 114 Cb 0.23 -1.73 -0.08 0.00 -0.00 0.00 0.00 39.64 38.05 2jmh n ILE 114 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2jmh s GLN 115 N 0.06 3.95 0.33 0.38 -2.07 -1.26 -4.96 119.66 116.08 2jmh s GLN 115 Ca 0.70 -0.23 -0.03 0.00 -1.82 0.00 0.00 55.36 53.98 2jmh s GLN 115 Cb -0.58 -3.31 0.00 0.00 -1.09 0.00 0.00 33.01 28.03 2jmh s GLN 115 CO 0.44 0.42 0.46 0.95 -1.32 0.00 0.00 175.29 176.24 2jmh s THR 116 N 0.01 0.00 -1.50 3.63 -4.23 -1.26 -4.97 115.64 107.31 2jmh s THR 116 Ca 0.09 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 2jmh s THR 116 Cb -0.11 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.13 2jmh s THR 116 CO -0.00 0.00 0.38 1.67 -0.54 0.00 0.00 174.62 176.12