#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 2.25 -4.43 2.61 2.13 -1.26 -5.07 120.64 116.88 2jmh n GLU 2 Ca 0.00 -4.58 -0.25 0.00 0.66 0.00 0.00 57.16 52.99 2jmh n GLU 2 Cb 0.00 -2.29 -0.11 0.00 0.27 0.00 0.00 31.44 29.32 2jmh n GLU 2 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2jmh s HIS 3 N -1.95 2.34 0.93 4.31 3.76 -1.26 -5.13 115.29 118.29 2jmh s HIS 3 Ca 0.32 -0.33 -0.10 0.00 -0.15 0.00 0.00 55.06 54.79 2jmh s HIS 3 Cb 0.04 -1.09 0.15 0.00 1.11 0.00 0.00 32.58 32.80 2jmh s HIS 3 CO -0.09 0.60 1.14 0.15 -0.85 0.00 0.00 174.74 175.69 2jmh s LYS 4 N -3.10 0.91 0.07 1.40 3.01 -1.26 -4.93 119.74 115.85 2jmh s LYS 4 Ca 0.26 1.48 -0.31 0.00 -1.01 0.00 0.00 55.97 56.39 2jmh s LYS 4 Cb -0.07 -1.72 -0.07 0.00 -1.01 0.00 0.00 37.83 34.96 2jmh s LYS 4 CO 0.13 -2.69 1.39 -1.25 0.51 0.00 0.00 175.35 173.44 2jmh s PRO 5 N -4.65 4.31 0.05 -1.68 0.04 -1.26 -5.02 135.00 126.79 2jmh s PRO 5 Ca 0.67 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.67 2jmh s PRO 5 Cb -0.23 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.89 2jmh s PRO 5 CO 0.58 -0.48 0.32 0.21 0.04 0.00 0.00 177.00 177.67 2jmh s LYS 6 N 1.59 3.63 0.34 4.56 2.20 -1.26 -5.10 119.74 125.69 2jmh s LYS 6 Ca 0.64 -0.03 0.05 0.00 -0.36 0.00 0.00 55.97 56.28 2jmh s LYS 6 Cb -0.35 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 32.94 2jmh s LYS 6 CO 0.29 0.60 0.48 0.21 -0.36 0.00 0.00 175.35 176.57 2jmh s LYS 7 N -1.95 3.17 1.08 4.03 2.20 -1.26 -5.09 119.74 121.92 2jmh s LYS 7 Ca 0.31 -0.89 -0.16 0.00 -0.36 0.00 0.00 55.97 54.88 2jmh s LYS 7 Cb -0.13 -2.79 0.12 0.00 -1.51 0.00 0.00 37.83 33.52 2jmh s LYS 7 CO 0.18 0.07 0.35 -0.25 -0.36 0.00 0.00 175.35 175.35 2jmh n ASP 8 N -1.67 -2.03 -2.20 1.43 9.92 -1.26 -4.89 116.55 115.86 2jmh n ASP 8 Ca -0.01 0.02 -0.25 0.00 -0.53 0.00 0.00 54.79 54.01 2jmh n ASP 8 Cb 0.58 -1.11 0.15 0.00 -0.64 0.00 0.00 41.12 40.11 2jmh n ASP 8 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2jmh n ASP 9 N -2.33 4.50 -4.30 -2.24 9.92 -1.26 -4.80 116.55 116.05 2jmh n ASP 9 Ca 0.03 -3.57 -0.44 0.00 -0.53 0.00 0.00 54.79 50.28 2jmh n ASP 9 Cb 0.58 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 2jmh n ASP 9 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2jmh n PHE 10 N -1.02 4.67 -3.67 1.24 3.01 -1.26 -4.94 117.46 115.49 2jmh n PHE 10 Ca 0.58 -3.52 -0.09 0.00 1.01 0.00 0.00 57.45 55.42 2jmh n PHE 10 Cb 1.43 -1.80 -0.09 0.00 -0.01 0.00 0.00 39.48 39.01 2jmh n PHE 10 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2jmh s ARG 11 N -0.61 0.54 -1.07 -1.08 3.52 -1.26 -5.09 118.95 113.90 2jmh s ARG 11 Ca 0.35 0.98 -0.16 0.00 -0.13 0.00 0.00 55.73 56.77 2jmh s ARG 11 Cb -0.05 0.06 0.15 0.00 -1.56 0.00 0.00 34.95 33.56 2jmh s ARG 11 CO -0.03 -0.15 1.27 -0.80 -0.81 0.00 0.00 175.30 174.78 2jmh s ASN 12 N 1.46 6.86 0.09 -2.12 -0.87 -1.26 -4.98 114.94 114.11 2jmh s ASN 12 Ca -0.09 -2.54 0.09 0.00 -1.57 0.00 0.00 52.86 48.74 2jmh s ASN 12 Cb -0.07 -2.40 -0.03 0.00 -0.02 0.00 0.00 41.25 38.73 2jmh s ASN 12 CO -0.15 -0.89 -0.23 -0.70 -2.57 0.00 0.00 177.10 172.56 2jmh s GLU 13 N 2.05 1.30 -0.32 -0.60 2.12 -1.26 -5.05 118.70 116.94 2jmh s GLU 13 Ca 0.37 -1.15 0.12 0.00 0.36 0.00 0.00 54.97 54.68 2jmh s GLU 13 Cb -0.04 -1.58 0.47 0.00 0.26 0.00 0.00 34.13 33.24 2jmh s GLU 13 CO -0.05 0.38 1.12 1.97 -0.54 0.00 0.00 175.26 178.14 2jmh n PHE 14 N 1.27 2.29 -0.23 5.30 -1.74 -1.26 -4.85 117.46 118.24 2jmh n PHE 14 Ca -0.18 -2.45 0.02 0.00 -0.56 0.00 0.00 57.45 54.27 2jmh n PHE 14 Cb 0.53 -0.26 0.25 0.00 1.52 0.00 0.00 39.48 41.52 2jmh n PHE 14 CO 0.00 0.00 0.00 0.22 -0.56 0.00 0.00 176.76 176.42 2jmh h ASP 15 N 2.48 0.85 -1.94 5.98 1.82 -2.02 -3.42 116.42 120.16 2jmh h ASP 15 Ca 0.16 -0.02 -0.64 0.00 -0.39 0.00 0.00 57.03 56.14 2jmh h ASP 15 Cb 1.30 -0.20 0.04 0.00 0.68 0.00 0.00 39.33 41.14 2jmh h ASP 15 CO 0.59 0.60 0.82 1.57 -1.61 0.00 0.00 179.24 181.21 2jmh n HIS 16 N -4.44 2.07 -4.02 0.28 -0.00 -1.26 -4.90 115.22 102.96 2jmh n HIS 16 Ca 0.09 0.33 -0.12 0.00 0.46 0.00 0.00 57.72 58.48 2jmh n HIS 16 Cb 0.07 -2.51 -0.04 0.00 -0.12 0.00 0.00 29.99 27.40 2jmh n HIS 16 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2jmh s LEU 17 N 2.11 0.60 0.00 0.27 1.43 -1.26 -5.00 118.68 116.84 2jmh s LEU 17 Ca 0.87 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2jmh s LEU 17 Cb -0.82 1.76 0.00 0.00 0.03 0.00 0.00 46.19 47.17 2jmh s LEU 17 CO 0.48 -1.29 0.73 0.18 0.23 0.00 0.00 176.35 176.69 2jmh n LEU 18 N -0.49 0.00 -0.35 1.79 4.32 -1.26 -0.17 117.00 120.85 2jmh n LEU 18 Ca -0.01 0.73 0.07 0.00 -0.02 0.00 0.00 56.01 56.78 2jmh n LEU 18 Cb 0.61 -0.23 0.24 0.00 -1.62 0.00 0.00 43.42 42.42 2jmh n LEU 18 CO 0.27 -0.23 1.21 0.40 -1.22 0.00 0.00 177.39 177.81 2jmh h ILE 19 N 0.00 0.88 -0.04 -0.08 1.08 -1.98 -1.36 117.51 116.02 2jmh h ILE 19 Ca 0.00 -0.32 0.03 0.00 -0.39 0.00 0.00 64.86 64.19 2jmh h ILE 19 Cb 0.00 -0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 33.59 2jmh h ILE 19 CO 0.00 0.17 -0.23 -0.33 -0.69 0.00 0.00 178.15 177.07 2jmh h GLU 20 N 0.92 -0.33 -0.82 2.37 4.39 -1.88 0.19 114.58 119.43 2jmh h GLU 20 Ca 0.49 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.20 2jmh h GLU 20 Cb 0.53 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 2jmh h GLU 20 CO -0.28 -0.22 0.45 0.37 -1.16 0.00 0.00 179.01 178.17 2jmh h GLN 21 N -0.34 1.14 -0.56 2.33 -0.00 0.11 -1.41 115.11 116.38 2jmh h GLN 21 Ca 0.07 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 2jmh h GLN 21 Cb 0.44 -0.22 -0.03 0.00 0.00 0.00 0.00 27.48 27.67 2jmh h GLN 21 CO -0.23 0.84 0.31 0.00 0.00 0.00 0.00 178.83 179.75 2jmh h ALA 22 N 1.24 0.71 -0.63 3.38 0.00 -0.64 -0.60 119.26 122.72 2jmh h ALA 22 Ca 0.29 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2jmh h ALA 22 Cb 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2jmh h ALA 22 CO -0.05 0.23 0.11 -0.91 0.00 0.00 0.00 179.25 178.63 2jmh h ASN 23 N 0.75 1.00 -0.64 0.00 2.35 -0.31 -1.36 115.58 117.36 2jmh h ASN 23 Ca 0.20 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 2jmh h ASN 23 Cb 0.03 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 2jmh h ASN 23 CO -0.03 1.00 0.12 0.45 -1.65 0.00 0.00 177.43 177.31 2jmh h HIS 24 N 0.96 1.12 0.12 1.19 3.86 -0.97 0.13 115.15 121.56 2jmh h HIS 24 Ca 0.19 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2jmh h HIS 24 Cb 0.42 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2jmh h HIS 24 CO 0.03 0.95 -0.06 0.00 0.86 0.00 0.00 177.93 179.71 2jmh h ALA 25 N 1.04 -0.16 -0.18 2.45 0.00 -0.92 -1.47 119.26 120.03 2jmh h ALA 25 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2jmh h ALA 25 Cb 0.42 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jmh h ALA 25 CO 0.01 -0.45 -0.07 -0.84 0.00 0.00 0.00 179.25 177.91 2jmh h ILE 26 N -0.44 1.15 0.28 0.00 3.07 -1.22 -1.53 117.51 118.83 2jmh h ILE 26 Ca -0.02 -0.64 -0.01 0.00 1.55 0.00 0.00 64.86 65.74 2jmh h ILE 26 Cb 0.36 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.01 2jmh h ILE 26 CO 0.03 0.21 -0.14 -0.08 -1.05 0.00 0.00 178.15 177.12 2jmh h GLU 27 N 0.26 -0.37 -0.64 0.16 4.22 -0.84 -0.57 114.58 116.80 2jmh h GLU 27 Ca 0.06 0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.55 2jmh h GLU 27 Cb 0.29 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2jmh h GLU 27 CO 0.01 -0.04 0.39 -0.22 -2.18 0.00 0.00 179.01 176.97 2jmh h LYS 28 N -0.75 0.73 -0.52 1.92 3.64 -1.15 -1.19 116.57 119.24 2jmh h LYS 28 Ca -0.04 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 2jmh h LYS 28 Cb 0.50 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2jmh h LYS 28 CO 0.06 0.48 0.14 0.78 -2.27 0.00 0.00 179.45 178.64 2jmh h GLY 29 N 0.75 0.89 1.07 5.01 0.00 -1.30 -1.24 103.07 108.26 2jmh h GLY 29 Ca 0.26 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2jmh h GLY 29 CO -0.12 0.51 0.38 -2.09 0.00 0.00 0.00 176.54 175.22 2jmh h GLU 30 N 0.73 1.19 -0.05 4.80 4.22 -0.72 0.16 114.58 124.92 2jmh h GLU 30 Ca 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 2jmh h GLU 30 Cb 0.32 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2jmh h GLU 30 CO -0.00 0.92 -0.01 1.25 -2.18 0.00 0.00 179.01 178.99 2jmh h HIS 31 N 1.17 0.10 0.00 0.92 2.76 -1.04 -1.34 115.15 117.73 2jmh h HIS 31 Ca 0.28 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.40 2jmh h HIS 31 Cb 0.14 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.07 2jmh h HIS 31 CO 0.02 0.43 -0.13 -0.56 -1.30 0.00 0.00 177.93 176.39 2jmh h GLN 32 N -0.26 0.00 0.05 5.26 -0.00 -1.09 -1.55 115.11 117.52 2jmh h GLN 32 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2jmh h GLN 32 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.88 2jmh h GLN 32 CO 0.00 0.13 -0.02 1.25 -0.00 0.00 0.00 178.83 180.19 2jmh h LEU 33 N 0.00 -0.05 -1.12 0.06 7.12 -0.49 -0.89 115.31 119.93 2jmh h LEU 33 Ca -0.00 -0.61 -0.06 0.00 0.13 0.00 0.00 57.88 57.34 2jmh h LEU 33 Cb 0.50 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.62 2jmh h LEU 33 CO 0.02 0.67 0.01 0.17 -0.13 0.00 0.00 178.44 179.18 2jmh h LEU 34 N -0.86 0.59 -0.03 2.25 8.10 -1.19 0.79 115.31 124.96 2jmh h LEU 34 Ca -0.01 -0.12 -0.03 0.00 0.11 0.00 0.00 57.88 57.83 2jmh h LEU 34 Cb 0.66 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.73 2jmh h LEU 34 CO 0.01 0.65 -0.12 0.22 -4.11 0.00 0.00 178.44 175.10 2jmh h TYR 35 N 0.60 0.18 0.00 0.17 5.03 -1.37 -3.22 116.97 118.35 2jmh h TYR 35 Ca 0.13 -0.07 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 2jmh h TYR 35 Cb 0.36 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.60 2jmh h TYR 35 CO 0.02 0.75 -0.26 1.25 -1.32 0.00 0.00 178.16 178.60 2jmh h LEU 36 N -0.45 0.00 -1.41 2.82 7.12 -1.05 -2.72 115.31 119.61 2jmh h LEU 36 Ca -0.01 0.00 0.22 0.00 0.13 0.00 0.00 57.88 58.22 2jmh h LEU 36 Cb 0.76 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.82 2jmh h LEU 36 CO 0.02 0.26 0.62 1.56 -0.13 0.00 0.00 178.44 180.78 2jmh h GLN 37 N 0.00 0.43 0.47 1.25 1.08 -0.84 -1.25 115.11 116.26 2jmh h GLN 37 Ca -0.00 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2jmh h GLN 37 Cb 0.48 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2jmh h GLN 37 CO 0.03 0.29 -0.23 0.45 -0.95 0.00 0.00 178.83 178.42 2jmh h HIS 38 N 0.45 -0.59 -0.83 2.96 3.86 -1.60 -0.72 115.15 118.68 2jmh h HIS 38 Ca 0.52 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.79 2jmh h HIS 38 Cb 1.24 0.19 -0.07 0.00 1.06 0.00 0.00 27.41 29.84 2jmh h HIS 38 CO -0.00 -0.33 0.49 1.96 0.86 0.00 0.00 177.93 180.91 2jmh h GLN 39 N -0.71 0.84 0.34 2.45 1.08 -1.41 -1.55 115.11 116.15 2jmh h GLN 39 Ca -0.06 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 2jmh h GLN 39 Cb 0.52 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2jmh h GLN 39 CO 0.11 0.56 -0.16 1.25 -0.95 0.00 0.00 178.83 179.63 2jmh h LEU 40 N 0.87 -0.38 -0.93 1.46 6.46 -1.14 0.82 115.31 122.47 2jmh h LEU 40 Ca 0.38 -0.02 0.14 0.00 -0.12 0.00 0.00 57.88 58.26 2jmh h LEU 40 Cb 0.27 0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 40.20 2jmh h LEU 40 CO -0.21 -0.24 0.54 -0.78 -0.62 0.00 0.00 178.44 177.14 2jmh h ASP 41 N -0.50 0.74 0.41 1.25 3.58 -0.74 0.70 116.42 121.86 2jmh h ASP 41 Ca -0.05 0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.34 2jmh h ASP 41 Cb 0.38 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2jmh h ASP 41 CO 0.08 0.35 -0.57 -0.08 -2.88 0.00 0.00 179.24 176.14 2jmh h GLU 42 N 0.81 0.16 -0.03 0.28 4.81 -1.01 -2.99 114.58 116.61 2jmh h GLU 42 Ca 0.49 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.49 2jmh h GLU 42 Cb 0.60 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2jmh h GLU 42 CO -0.32 0.69 -0.54 1.25 -0.73 0.00 0.00 179.01 179.37 2jmh h LEU 43 N 0.13 0.09 -0.71 1.64 7.12 0.13 -0.30 115.31 123.41 2jmh h LEU 43 Ca -0.00 -0.05 0.12 0.00 0.13 0.00 0.00 57.88 58.09 2jmh h LEU 43 Cb 1.04 -0.03 -0.09 0.00 -0.53 0.00 0.00 40.66 41.05 2jmh h LEU 43 CO 0.08 0.61 0.29 0.78 -0.13 0.00 0.00 178.44 180.07 2jmh h ASN 44 N 0.06 0.28 0.07 1.25 -0.26 -0.92 0.34 115.58 116.40 2jmh h ASN 44 Ca -0.00 0.10 -0.31 0.00 -0.56 0.00 0.00 56.30 55.52 2jmh h ASN 44 Cb 0.97 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 38.27 2jmh h ASN 44 CO 0.07 0.13 -1.71 -0.62 -1.06 0.00 0.00 177.43 174.24 2jmh n GLU 45 N -4.99 0.68 -0.22 0.81 1.02 -1.18 -4.17 120.64 112.59 2jmh n GLU 45 Ca 0.12 0.39 0.13 0.00 -0.02 0.00 0.00 57.16 57.79 2jmh n GLU 45 Cb 0.36 -1.72 0.43 0.00 -0.02 0.00 0.00 31.44 30.49 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2jmh h ASN 46 N -0.38 0.54 -3.55 1.62 4.21 -0.91 -3.45 115.58 113.66 2jmh h ASN 46 Ca -0.40 0.03 -0.28 0.00 1.21 0.00 0.00 56.30 56.86 2jmh h ASN 46 Cb 1.73 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 38.83 2jmh h ASN 46 CO -0.04 0.28 -0.35 0.29 -1.29 0.00 0.00 177.43 176.32 2jmh n LYS 47 N -4.52 -2.08 -2.34 0.81 4.76 0.12 -4.87 118.16 110.04 2jmh n LYS 47 Ca 0.16 0.68 -0.42 0.00 -2.87 0.00 0.00 58.31 55.86 2jmh n LYS 47 Cb 0.48 -5.27 -0.03 0.00 -1.84 0.00 0.00 35.03 28.37 2jmh n LYS 47 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jmh s SER 48 N -2.04 6.11 0.47 4.39 0.15 -1.26 -4.72 113.70 116.80 2jmh s SER 48 Ca 0.00 0.48 0.29 0.00 0.70 0.00 0.00 55.95 57.43 2jmh s SER 48 Cb 0.00 -2.54 1.37 0.00 -1.71 0.00 0.00 66.02 63.13 2jmh s SER 48 CO 0.00 -1.68 1.75 0.07 1.20 0.00 0.00 173.24 174.58 2jmh h LYS 49 N 11.32 0.16 0.15 5.44 5.09 -1.92 0.19 116.57 137.00 2jmh h LYS 49 Ca -0.27 -0.01 -0.01 0.00 0.09 0.00 0.00 60.65 60.45 2jmh h LYS 49 Cb 1.10 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 33.40 2jmh h LYS 49 CO 1.15 0.11 -0.07 0.93 -2.09 0.00 0.00 179.45 179.47 2jmh h GLU 50 N 0.17 -0.19 -0.63 0.07 5.08 -1.99 -1.37 114.58 115.71 2jmh h GLU 50 Ca 0.64 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 59.05 2jmh h GLU 50 Cb 2.10 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 31.36 2jmh h GLU 50 CO -0.19 0.25 0.41 1.25 -1.00 0.00 0.00 179.01 179.73 2jmh h LEU 51 N -0.78 0.63 0.38 1.33 5.85 -1.42 -1.00 115.31 120.29 2jmh h LEU 51 Ca -0.02 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2jmh h LEU 51 Cb 0.53 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2jmh h LEU 51 CO 0.03 0.43 -0.18 -0.61 -0.34 0.00 0.00 178.44 177.77 2jmh h GLN 52 N 0.73 -0.49 -0.86 1.25 4.15 -0.75 -1.51 115.11 117.63 2jmh h GLN 52 Ca 0.25 0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.88 2jmh h GLN 52 Cb 0.10 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 2jmh h GLN 52 CO -0.07 -0.19 0.57 0.93 -1.93 0.00 0.00 178.83 178.14 2jmh h GLU 53 N -0.99 0.45 0.19 1.69 5.08 -1.07 0.56 114.58 120.50 2jmh h GLU 53 Ca -0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2jmh h GLU 53 Cb 0.53 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jmh h GLU 53 CO 0.09 0.30 -0.09 0.87 -1.00 0.00 0.00 179.01 179.17 2jmh h LYS 54 N 0.47 -0.25 -0.86 2.33 1.57 -1.17 -2.56 116.57 116.09 2jmh h LYS 54 Ca 0.44 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.32 2jmh h LYS 54 Cb 1.00 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.31 2jmh h LYS 54 CO -0.17 0.14 0.56 0.82 -0.57 0.00 0.00 179.45 180.23 2jmh h ILE 55 N -0.75 1.01 -0.36 1.86 2.04 -0.53 -1.24 117.51 119.55 2jmh h ILE 55 Ca -0.03 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2jmh h ILE 55 Cb 0.51 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2jmh h ILE 55 CO 0.04 0.17 0.16 0.40 0.00 0.00 0.00 178.15 178.92 2jmh h ILE 56 N 0.91 1.17 0.22 -0.67 2.04 -0.92 0.29 117.51 120.55 2jmh h ILE 56 Ca 0.38 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2jmh h ILE 56 Cb 0.30 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2jmh h ILE 56 CO -0.15 0.19 -0.11 0.03 0.00 0.00 0.00 178.15 178.11 2jmh h ARG 57 N 0.44 -0.28 -0.13 2.37 -0.00 -0.94 0.20 114.38 116.04 2jmh h ARG 57 Ca 0.12 0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.62 2jmh h ARG 57 Cb 0.14 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.17 2jmh h ARG 57 CO -0.01 -0.07 0.08 0.93 0.00 0.00 0.00 179.97 180.89 2jmh h GLU 58 N -0.45 0.19 -0.03 0.04 5.08 -1.22 -0.68 114.58 117.50 2jmh h GLU 58 Ca -0.03 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2jmh h GLU 58 Cb 0.34 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2jmh h GLU 58 CO 0.05 0.19 -0.15 1.25 -1.00 0.00 0.00 179.01 179.35 2jmh h LEU 59 N 0.13 0.04 0.20 1.33 5.85 -0.40 -0.74 115.31 121.72 2jmh h LEU 59 Ca 0.05 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2jmh h LEU 59 Cb 0.06 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2jmh h LEU 59 CO -0.01 0.20 -0.10 -0.78 -0.34 0.00 0.00 178.44 177.41 2jmh h ASP 60 N 0.04 -0.23 -0.61 1.25 3.58 -0.07 -0.78 116.42 119.61 2jmh h ASP 60 Ca 0.01 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.15 2jmh h ASP 60 Cb 0.29 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 2jmh h ASP 60 CO 0.02 0.27 0.36 -0.37 -2.88 0.00 0.00 179.24 176.64 2jmh h VAL 61 N -0.81 1.18 0.33 2.25 -1.51 -1.01 0.96 116.25 117.64 2jmh h VAL 61 Ca -0.03 -0.42 -0.02 0.00 -1.23 0.00 0.00 66.70 65.01 2jmh h VAL 61 Cb 0.52 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 2jmh h VAL 61 CO 0.04 0.19 -0.16 0.58 -1.23 0.00 0.00 177.57 177.00 2jmh h VAL 62 N 0.86 0.54 0.00 7.19 2.07 -1.17 -1.55 116.25 124.19 2jmh h VAL 62 Ca 0.22 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2jmh h VAL 62 Cb -0.01 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2jmh h VAL 62 CO -0.04 0.11 -0.04 0.00 0.02 0.00 0.00 177.57 177.62 2jmh h ALA 64 N 1.96 -0.41 -0.38 0.00 0.00 -0.76 -0.60 119.26 119.07 2jmh h ALA 64 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jmh h ALA 64 Cb 0.09 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2jmh h ALA 64 CO 0.01 -0.42 0.20 0.00 0.00 0.00 0.00 179.25 179.04 2jmh h MET 65 N -1.05 0.51 -0.05 0.00 -0.00 -1.12 -1.34 114.93 111.88 2jmh h MET 65 Ca -0.04 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.70 59.57 2jmh h MET 65 Cb 0.43 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.92 2jmh h MET 65 CO 0.07 0.39 -0.11 0.82 -0.00 0.00 0.00 176.91 178.07 2jmh h ILE 66 N 0.52 1.43 -0.08 -0.10 5.03 -1.10 -0.70 117.51 122.52 2jmh h ILE 66 Ca 0.14 -1.45 0.02 0.00 -0.12 0.00 0.00 64.86 63.44 2jmh h ILE 66 Cb 0.02 2.26 -0.02 0.00 -3.03 0.00 0.00 36.82 36.06 2jmh h ILE 66 CO -0.02 0.40 -0.03 -0.33 -0.68 0.00 0.00 178.15 177.48 2jmh h GLU 67 N -0.34 -0.02 -0.16 2.37 5.08 -0.81 0.17 114.58 120.86 2jmh h GLU 67 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2jmh h GLU 67 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2jmh h GLU 67 CO 0.03 -0.01 0.01 0.78 -1.00 0.00 0.00 179.01 178.81 2jmh h GLY 68 N -0.02 0.31 0.89 -3.84 0.00 -1.33 0.83 103.07 99.90 2jmh h GLY 68 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2jmh h GLY 68 CO -0.09 0.20 -0.12 0.00 0.00 0.00 0.00 176.54 176.53 2jmh h ALA 69 N 0.78 -0.27 -0.22 3.60 0.00 -1.00 -1.32 119.26 120.84 2jmh h ALA 69 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2jmh h ALA 69 Cb 0.36 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2jmh h ALA 69 CO 0.01 -0.66 -0.13 -0.56 0.00 0.00 0.00 179.25 177.90 2jmh h GLN 70 N -0.29 0.36 0.25 0.00 3.07 -0.68 -0.46 115.11 117.36 2jmh h GLN 70 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 58.63 2jmh h GLN 70 Cb 0.26 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.78 2jmh h GLN 70 CO -0.01 0.50 -0.12 0.78 0.09 0.00 0.00 178.83 180.07 2jmh h GLY 71 N 0.86 -0.35 0.76 0.06 0.00 -0.39 0.56 103.07 104.56 2jmh h GLY 71 Ca 0.07 0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 2jmh h GLY 71 CO 0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 176.54 176.31 2jmh h ALA 72 N 0.22 0.23 0.36 3.60 0.00 -1.19 -1.48 119.26 121.00 2jmh h ALA 72 Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2jmh h ALA 72 Cb 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jmh h ALA 72 CO 0.06 0.09 -0.29 1.25 0.00 0.00 0.00 179.25 180.35 2jmh h LEU 73 N 0.01 -0.77 0.09 0.00 5.85 -1.11 0.23 115.31 119.60 2jmh h LEU 73 Ca 0.03 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2jmh h LEU 73 Cb 0.64 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2jmh h LEU 73 CO 0.03 -0.44 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.24 2jmh h GLU 74 N -0.66 -0.25 -0.06 1.25 5.08 -0.95 0.17 114.58 119.16 2jmh h GLU 74 Ca -0.03 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2jmh h GLU 74 Cb 0.58 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2jmh h GLU 74 CO -0.02 -0.17 0.05 0.00 -1.00 0.00 0.00 179.01 177.88 2jmh h ARG 75 N -0.26 0.00 0.03 2.33 3.08 -1.14 0.94 114.38 119.35 2jmh h ARG 75 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2jmh h ARG 75 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2jmh h ARG 75 CO -0.06 0.00 -0.01 1.49 -1.07 0.00 0.00 179.97 180.31 2jmh h GLU 76 N 0.00 -0.04 0.00 0.04 4.81 0.50 -3.30 114.58 116.58 2jmh h GLU 76 Ca 0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2jmh h GLU 76 Cb 0.14 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2jmh h GLU 76 CO -0.00 0.47 -0.03 1.37 -0.73 0.00 0.00 179.01 180.08 2jmh h LEU 77 N -0.98 0.00 -0.60 1.64 8.10 -0.42 -1.10 115.31 121.94 2jmh h LEU 77 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2jmh h LEU 77 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 2jmh h LEU 77 CO 0.01 0.03 0.00 0.29 -4.11 0.00 0.00 178.44 174.66 2jmh n LYS 78 N -3.36 0.12 0.08 0.17 4.01 0.30 -1.57 118.16 117.92 2jmh n LYS 78 Ca -0.02 0.43 0.13 0.00 -0.51 0.00 0.00 58.31 58.34 2jmh n LYS 78 Cb 0.16 -1.76 0.45 0.00 -0.51 0.00 0.00 35.03 33.37 2jmh n LYS 78 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2jmh n ARG 79 N -1.99 0.20 -0.29 1.97 1.85 -0.42 -4.87 116.66 113.11 2jmh n ARG 79 Ca 0.02 0.18 -0.24 0.00 -1.00 0.00 0.00 57.85 56.81 2jmh n ARG 79 Cb 0.15 -1.74 0.24 0.00 -1.05 0.00 0.00 32.46 30.06 2jmh n ARG 79 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2jmh n THR 80 N -2.09 0.00 -2.44 8.89 -2.24 -0.61 -5.04 114.28 110.75 2jmh n THR 80 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2jmh n THR 80 Cb 0.40 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 2jmh n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jmh n ASP 81 N -4.32 0.00 -4.86 3.42 8.00 -1.26 -5.10 116.55 112.43 2jmh n ASP 81 Ca 0.11 -0.94 -0.34 0.00 0.71 0.00 0.00 54.79 54.34 2jmh n ASP 81 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 2jmh n ASP 81 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jmh s LEU 82 N 0.00 4.26 -0.29 0.64 2.96 -1.26 -4.96 118.68 120.04 2jmh s LEU 82 Ca 0.00 0.94 -0.26 0.00 -0.22 0.00 0.00 54.13 54.59 2jmh s LEU 82 Cb 0.00 -3.41 0.18 0.00 0.50 0.00 0.00 46.19 43.46 2jmh s LEU 82 CO 0.00 0.04 1.34 0.21 -1.32 0.00 0.00 176.35 176.62 2jmh s ASN 83 N -2.03 -0.12 0.11 3.68 3.04 -1.26 -5.00 114.94 113.35 2jmh s ASN 83 Ca 0.41 0.21 -0.25 0.00 0.04 0.00 0.00 52.86 53.28 2jmh s ASN 83 Cb -0.13 0.21 -0.09 0.00 -1.54 0.00 0.00 41.25 39.70 2jmh s ASN 83 CO 0.20 -0.06 1.67 0.40 -3.04 0.00 0.00 177.10 176.27 2jmh h ILE 84 N 2.91 0.59 -0.28 -5.21 2.04 -1.99 0.30 117.51 115.87 2jmh h ILE 84 Ca -0.23 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2jmh h ILE 84 Cb 1.19 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 2jmh h ILE 84 CO 0.19 0.00 0.11 0.25 0.00 0.00 0.00 178.15 178.70 2jmh h LEU 85 N -0.33 0.38 -0.76 1.44 7.12 -1.99 -1.54 115.31 119.63 2jmh h LEU 85 Ca 0.03 -0.16 0.03 0.00 0.13 0.00 0.00 57.88 57.92 2jmh h LEU 85 Cb 0.36 -0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 40.34 2jmh h LEU 85 CO -0.11 0.44 0.48 -0.33 -0.13 0.00 0.00 178.44 178.78 2jmh h GLU 86 N 0.30 0.91 -0.25 1.25 4.39 -1.90 -1.26 114.58 118.03 2jmh h GLU 86 Ca 0.09 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2jmh h GLU 86 Cb 0.17 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2jmh h GLU 86 CO -0.01 0.60 0.10 -0.09 -1.16 0.00 0.00 179.01 178.45 2jmh h ARG 87 N 0.93 0.37 0.42 2.33 2.43 -0.20 0.12 114.38 120.78 2jmh h ARG 87 Ca 0.31 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2jmh h ARG 87 Cb 0.03 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2jmh h ARG 87 CO -0.12 0.41 -0.31 0.35 -1.51 0.00 0.00 179.97 178.80 2jmh h PHE 88 N 0.25 -0.82 -0.70 2.20 3.57 -0.89 0.27 116.94 120.81 2jmh h PHE 88 Ca 0.08 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2jmh h PHE 88 Cb 0.18 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2jmh h PHE 88 CO -0.01 -0.46 0.46 -0.91 -2.23 0.00 0.00 178.31 175.17 2jmh h ASN 89 N -0.72 0.80 -0.36 0.41 4.21 -1.23 -1.69 115.58 117.01 2jmh h ASN 89 Ca -0.04 -0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.44 2jmh h ASN 89 Cb 0.61 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 2jmh h ASN 89 CO 0.01 0.58 0.21 1.88 -1.29 0.00 0.00 177.43 178.82 2jmh h TYR 90 N 0.95 0.48 0.35 1.19 -1.99 -0.51 0.38 116.97 117.81 2jmh h TYR 90 Ca 0.26 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.97 2jmh h TYR 90 Cb -0.11 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.45 2jmh h TYR 90 CO -0.02 0.36 -0.24 0.93 -0.00 0.00 0.00 178.16 179.19 2jmh h GLU 91 N 0.46 -0.55 -0.20 4.88 4.39 -0.14 -1.29 114.58 122.13 2jmh h GLU 91 Ca 0.13 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.89 2jmh h GLU 91 Cb 0.03 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2jmh h GLU 91 CO -0.02 -0.37 0.05 1.49 -1.16 0.00 0.00 179.01 179.00 2jmh h GLU 92 N -0.57 0.14 -0.39 2.33 4.57 -1.23 -0.39 114.58 119.03 2jmh h GLU 92 Ca -0.03 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.22 2jmh h GLU 92 Cb 0.49 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.97 2jmh h GLU 92 CO 0.02 0.09 -0.13 0.00 -1.18 0.00 0.00 179.01 177.80 2jmh h ALA 93 N 1.14 0.20 -0.28 2.92 0.00 -0.76 -0.16 119.26 122.32 2jmh h ALA 93 Ca 0.09 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2jmh h ALA 93 Cb 0.07 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2jmh h ALA 93 CO -0.11 -0.49 -0.08 0.37 0.00 0.00 0.00 179.25 178.94 2jmh h GLN 94 N -0.05 0.45 0.20 0.00 4.15 -0.93 -1.51 115.11 117.42 2jmh h GLN 94 Ca 0.19 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 2jmh h GLN 94 Cb 0.34 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.98 2jmh h GLN 94 CO -0.43 0.54 -0.10 1.15 -1.93 0.00 0.00 178.83 178.06 2jmh h THR 95 N 0.43 0.82 -0.40 2.39 2.02 0.66 0.25 112.91 119.08 2jmh h THR 95 Ca 0.09 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 2jmh h THR 95 Cb 0.41 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2jmh h THR 95 CO 0.02 0.02 0.05 -0.07 0.37 0.00 0.00 175.52 175.91 2jmh h LEU 96 N -0.31 0.65 -0.69 2.58 3.38 -1.10 -1.69 115.31 118.12 2jmh h LEU 96 Ca -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2jmh h LEU 96 Cb 0.24 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2jmh h LEU 96 CO 0.05 0.76 0.38 0.77 0.09 0.00 0.00 178.44 180.48 2jmh h SER 97 N 0.51 0.87 0.03 -0.43 4.64 -1.18 -1.17 113.55 116.82 2jmh h SER 97 Ca 0.12 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2jmh h SER 97 Cb 0.40 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2jmh h SER 97 CO 0.01 0.71 -0.01 0.11 -0.87 0.00 0.00 176.83 176.78 2jmh h LYS 98 N 0.95 -0.04 -0.16 4.77 1.57 -0.36 -1.09 116.57 122.21 2jmh h LYS 98 Ca 0.24 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 2jmh h LYS 98 Cb 0.04 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 2jmh h LYS 98 CO -0.04 0.13 -0.05 0.82 -0.57 0.00 0.00 179.45 179.75 2jmh h ILE 99 N -0.20 0.83 -0.43 1.86 2.04 -1.15 -1.38 117.51 119.08 2jmh h ILE 99 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2jmh h ILE 99 Cb 0.19 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2jmh h ILE 99 CO 0.01 0.00 0.21 0.25 0.00 0.00 0.00 178.15 178.62 2jmh h LEU 100 N -0.01 0.30 -0.12 1.44 5.85 -1.16 -1.53 115.31 120.07 2jmh h LEU 100 Ca 0.08 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2jmh h LEU 100 Cb 0.13 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2jmh h LEU 100 CO -0.17 0.22 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.96 2jmh h LEU 101 N 0.42 -0.35 -0.16 2.25 3.38 -0.78 -0.44 115.31 119.63 2jmh h LEU 101 Ca 0.19 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.27 2jmh h LEU 101 Cb 0.10 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2jmh h LEU 101 CO -0.14 -0.15 -0.09 0.11 0.09 0.00 0.00 178.44 178.27 2jmh h LYS 102 N -0.13 -0.07 -0.42 1.13 1.57 -0.93 -1.02 116.57 116.70 2jmh h LYS 102 Ca 0.08 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 2jmh h LYS 102 Cb 0.25 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 2jmh h LYS 102 CO -0.20 -0.05 0.09 -0.44 -0.57 0.00 0.00 179.45 178.28 2jmh h ASP 103 N -0.07 0.03 -0.66 0.86 5.19 -0.92 -1.36 116.42 119.48 2jmh h ASP 103 Ca 0.09 0.07 0.04 0.00 -0.62 0.00 0.00 57.03 56.61 2jmh h ASP 103 Cb 0.21 0.09 -0.05 0.00 0.18 0.00 0.00 39.33 39.76 2jmh h ASP 103 CO -0.21 0.05 0.39 0.25 -3.12 0.00 0.00 179.24 176.60 2jmh h LEU 104 N 0.23 0.61 -0.04 1.55 5.85 -0.59 -1.19 115.31 121.72 2jmh h LEU 104 Ca 0.20 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2jmh h LEU 104 Cb 0.24 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2jmh h LEU 104 CO -0.26 0.41 -0.02 0.11 -0.34 0.00 0.00 178.44 178.34 2jmh h LYS 105 N 0.74 -0.02 -0.37 1.25 6.56 -0.42 -1.28 116.57 123.04 2jmh h LYS 105 Ca 0.28 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.91 2jmh h LYS 105 Cb 0.11 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.74 2jmh h LYS 105 CO -0.15 -0.01 0.15 1.49 -2.06 0.00 0.00 179.45 178.87 2jmh h GLU 106 N -0.02 0.31 0.07 3.15 4.81 -0.89 -1.45 114.58 120.56 2jmh h GLU 106 Ca 0.02 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2jmh h GLU 106 Cb 0.05 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2jmh h GLU 106 CO -0.05 0.21 -0.19 1.79 -0.73 0.00 0.00 179.01 180.04 2jmh h THR 107 N 0.32 0.56 -0.36 0.32 1.35 -0.98 -1.33 112.91 112.80 2jmh h THR 107 Ca 0.16 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.09 2jmh h THR 107 Cb 0.11 0.56 -0.06 0.00 -1.73 0.00 0.00 68.15 67.03 2jmh h THR 107 CO -0.14 0.00 -0.02 -0.08 -0.25 0.00 0.00 175.52 175.03 2jmh h GLU 108 N -0.35 0.07 -0.10 4.72 4.57 -0.99 -1.38 114.58 121.13 2jmh h GLU 108 Ca 0.04 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.25 2jmh h GLU 108 Cb 0.38 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.91 2jmh h GLU 108 CO -0.13 0.05 -0.20 0.37 -1.18 0.00 0.00 179.01 177.92 2jmh h GLN 109 N 0.08 -0.26 -0.44 1.92 5.75 -0.94 -1.02 115.11 120.20 2jmh h GLN 109 Ca 0.17 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.77 2jmh h GLN 109 Cb 0.25 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.79 2jmh h GLN 109 CO -0.31 -0.18 0.03 0.87 -2.65 0.00 0.00 178.83 176.59 2jmh h LYS 110 N -0.27 0.14 -0.51 1.69 1.79 -0.77 -0.12 116.57 118.52 2jmh h LYS 110 Ca 0.09 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.61 2jmh h LYS 110 Cb 0.40 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.97 2jmh h LYS 110 CO -0.26 0.09 0.22 0.28 -1.08 0.00 0.00 179.45 178.70 2jmh h VAL 111 N 0.14 0.88 -0.27 0.50 2.07 -0.70 -1.07 116.25 117.80 2jmh h VAL 111 Ca 0.22 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 2jmh h VAL 111 Cb 0.30 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2jmh h VAL 111 CO -0.34 0.08 -0.03 0.11 0.02 0.00 0.00 177.57 177.41 2jmh h LYS 112 N 0.42 0.42 -0.26 1.57 1.57 -0.32 -2.82 116.57 117.15 2jmh h LYS 112 Ca 0.24 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2jmh h LYS 112 Cb 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2jmh h LYS 112 CO -0.21 0.47 0.00 0.22 -0.57 0.00 0.00 179.45 179.36 2jmh h ASP 113 N 0.40 0.45 -2.31 0.86 3.58 0.14 -3.43 116.42 116.11 2jmh h ASP 113 Ca 0.09 -0.31 -0.57 0.00 0.42 0.00 0.00 57.03 56.66 2jmh h ASP 113 Cb 0.31 -0.12 0.04 0.00 1.72 0.00 0.00 39.33 41.29 2jmh h ASP 113 CO 0.01 0.65 0.98 -0.38 -2.88 0.00 0.00 179.24 177.62 2jmh n ILE 114 N -4.62 0.25 -3.27 2.25 -0.00 -0.55 -4.96 119.36 108.46 2jmh n ILE 114 Ca -0.03 -0.04 -0.38 0.00 -0.00 0.00 0.00 62.75 62.29 2jmh n ILE 114 Cb 0.25 -1.82 -0.06 0.00 -0.00 0.00 0.00 39.64 38.01 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 2.21 4.26 0.18 0.38 -2.07 -1.26 -4.98 119.66 118.38 2jmh s GLN 115 Ca 0.83 0.63 -0.11 0.00 -1.82 0.00 0.00 55.36 54.89 2jmh s GLN 115 Cb -0.61 -3.34 -0.00 0.00 -1.09 0.00 0.00 33.01 27.97 2jmh s GLN 115 CO 0.40 0.39 0.35 0.95 -1.32 0.00 0.00 175.29 176.07 2jmh s THR 116 N -0.23 0.05 0.00 3.63 -4.23 -1.26 -4.91 115.64 108.69 2jmh s THR 116 Ca 0.29 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 2jmh s THR 116 Cb -0.17 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.79 2jmh s THR 116 CO 0.15 -0.21 0.00 1.67 -0.54 0.00 0.00 174.62 175.70