#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 3.39 -5.18 -1.09 1.02 -1.26 -4.53 120.64 112.98 2jmh n GLU 2 Ca 0.00 -4.50 -0.29 0.00 -0.02 0.00 0.00 57.16 52.34 2jmh n GLU 2 Cb 0.00 -2.26 -0.16 0.00 -0.02 0.00 0.00 31.44 29.01 2jmh n GLU 2 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2jmh s HIS 3 N -3.59 2.12 0.18 -0.32 -3.43 -1.26 -4.67 115.29 104.32 2jmh s HIS 3 Ca 0.48 -0.41 0.08 0.00 -0.80 0.00 0.00 55.06 54.41 2jmh s HIS 3 Cb 0.37 -1.37 -0.04 0.00 -1.43 0.00 0.00 32.58 30.11 2jmh s HIS 3 CO -0.20 -0.04 -0.02 0.15 -2.00 0.00 0.00 174.74 172.63 2jmh s LYS 4 N -0.54 2.34 0.26 -0.38 1.02 -1.26 -4.90 119.74 116.28 2jmh s LYS 4 Ca 0.09 -1.16 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 2jmh s LYS 4 Cb -0.09 -2.31 -0.09 0.00 -0.52 0.00 0.00 37.83 34.82 2jmh s LYS 4 CO -0.01 0.44 1.03 -1.25 -0.92 0.00 0.00 175.35 174.64 2jmh s PRO 5 N -3.00 4.74 0.54 -1.68 0.04 -1.26 -4.74 135.00 129.63 2jmh s PRO 5 Ca 0.27 1.66 0.04 0.00 0.04 0.00 0.00 61.00 63.01 2jmh s PRO 5 Cb -0.09 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 31.25 2jmh s PRO 5 CO 0.18 0.35 0.30 -1.59 0.04 0.00 0.00 177.00 176.28 2jmh s LYS 6 N -1.34 2.24 -0.52 4.56 0.00 -1.26 -4.86 119.74 118.57 2jmh s LYS 6 Ca 0.43 -2.13 -0.13 0.00 0.00 0.00 0.00 55.97 54.14 2jmh s LYS 6 Cb -0.29 -1.95 0.13 0.00 0.00 0.00 0.00 37.83 35.72 2jmh s LYS 6 CO 0.37 -0.57 0.44 0.21 0.00 0.00 0.00 175.35 175.80 2jmh s LYS 7 N -4.19 2.77 0.00 1.78 2.47 -1.26 -4.68 119.74 116.64 2jmh s LYS 7 Ca 0.26 -1.76 -0.04 0.00 -1.56 0.00 0.00 55.97 52.87 2jmh s LYS 7 Cb -0.01 -4.13 -0.05 0.00 -1.46 0.00 0.00 37.83 32.17 2jmh s LYS 7 CO 0.16 -1.27 0.61 -3.47 0.16 0.00 0.00 175.35 171.54 2jmh n ASP 8 N 5.06 -0.03 -1.42 1.43 -0.08 -1.26 -4.31 116.55 115.94 2jmh n ASP 8 Ca -0.11 -1.24 0.09 0.00 -1.51 0.00 0.00 54.79 52.02 2jmh n ASP 8 Cb 0.40 -0.23 0.33 0.00 2.34 0.00 0.00 41.12 43.97 2jmh n ASP 8 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2jmh n ASP 9 N 4.31 4.48 -2.76 1.67 9.92 -1.26 -4.15 116.55 128.76 2jmh n ASP 9 Ca 0.06 -2.45 -0.27 0.00 -0.53 0.00 0.00 54.79 51.60 2jmh n ASP 9 Cb 0.09 -0.54 -0.00 0.00 -0.64 0.00 0.00 41.12 40.04 2jmh n ASP 9 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2jmh n PHE 10 N 0.91 -1.35 -4.21 1.24 7.35 -1.26 -4.49 117.46 115.65 2jmh n PHE 10 Ca 0.24 0.40 -0.18 0.00 -0.76 0.00 0.00 57.45 57.15 2jmh n PHE 10 Cb 0.84 -1.14 -0.12 0.00 0.35 0.00 0.00 39.48 39.40 2jmh n PHE 10 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2jmh s ARG 11 N -0.64 0.78 -0.26 -4.13 0.52 -1.26 -4.79 118.95 109.18 2jmh s ARG 11 Ca 0.38 -0.81 -0.28 0.00 -0.52 0.00 0.00 55.73 54.50 2jmh s ARG 11 Cb -0.41 -0.75 0.01 0.00 0.52 0.00 0.00 34.95 34.32 2jmh s ARG 11 CO 0.40 0.17 1.00 1.21 0.02 0.00 0.00 175.30 178.11 2jmh s ASN 12 N -1.41 6.99 0.01 0.23 3.84 -1.26 -4.61 114.94 118.73 2jmh s ASN 12 Ca -0.02 1.21 -0.05 0.00 0.21 0.00 0.00 52.86 54.21 2jmh s ASN 12 Cb -0.09 -2.52 -0.00 0.00 -0.55 0.00 0.00 41.25 38.09 2jmh s ASN 12 CO 0.01 -0.70 0.08 -1.83 -2.79 0.00 0.00 177.10 171.88 2jmh s GLU 13 N 3.25 0.40 -0.16 0.43 1.03 -1.26 -4.41 118.70 117.98 2jmh s GLU 13 Ca 0.42 -0.43 0.17 0.00 0.03 0.00 0.00 54.97 55.17 2jmh s GLU 13 Cb -0.14 0.16 0.36 0.00 -0.80 0.00 0.00 34.13 33.71 2jmh s GLU 13 CO 0.09 -0.09 1.23 1.19 -1.33 0.00 0.00 175.26 176.35 2jmh n PHE 14 N 1.62 0.24 -0.06 4.83 3.72 -1.26 -4.13 117.46 122.43 2jmh n PHE 14 Ca -0.22 -1.06 -0.12 0.00 -0.05 0.00 0.00 57.45 55.99 2jmh n PHE 14 Cb 0.56 -0.21 -0.06 0.00 -0.94 0.00 0.00 39.48 38.82 2jmh n PHE 14 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2jmh h ASP 15 N 0.52 0.33 -5.37 4.37 5.19 -1.94 -3.39 116.42 116.14 2jmh h ASP 15 Ca 0.01 -0.40 -0.28 0.00 -0.62 0.00 0.00 57.03 55.73 2jmh h ASP 15 Cb 1.12 -0.09 0.17 0.00 0.18 0.00 0.00 39.33 40.71 2jmh h ASP 15 CO 0.06 0.66 -0.74 1.57 -3.12 0.00 0.00 179.24 177.67 2jmh n HIS 16 N -4.64 -2.12 -3.98 4.55 -0.00 -1.26 -4.80 115.22 102.97 2jmh n HIS 16 Ca -0.06 0.85 -0.33 0.00 0.46 0.00 0.00 57.72 58.65 2jmh n HIS 16 Cb 0.29 -4.61 -0.06 0.00 -0.12 0.00 0.00 29.99 25.49 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 -5.80 4.19 0.02 0.27 1.43 -1.26 -4.94 118.68 112.59 2jmh s LEU 17 Ca 0.13 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 2jmh s LEU 17 Cb -0.02 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 2jmh s LEU 17 CO 0.68 0.26 1.17 -0.07 0.23 0.00 0.00 176.35 178.62 2jmh h LEU 18 N 3.87 -0.41 -0.88 1.79 3.38 -1.99 -0.34 115.31 120.73 2jmh h LEU 18 Ca -0.49 0.03 0.14 0.00 0.09 0.00 0.00 57.88 57.65 2jmh h LEU 18 Cb 1.18 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.98 2jmh h LEU 18 CO 0.67 -0.21 0.48 0.40 0.09 0.00 0.00 178.44 179.87 2jmh h ILE 19 N -0.32 0.77 -0.07 1.22 1.08 -1.98 -0.78 117.51 117.44 2jmh h ILE 19 Ca -0.02 -0.24 0.04 0.00 -0.39 0.00 0.00 64.86 64.24 2jmh h ILE 19 Cb 0.27 0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 33.99 2jmh h ILE 19 CO -0.01 0.13 -0.19 -0.33 -0.69 0.00 0.00 178.15 177.06 2jmh h GLU 20 N 0.70 -0.26 -0.77 2.37 4.39 -1.88 0.19 114.58 119.33 2jmh h GLU 20 Ca 0.47 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.15 2jmh h GLU 20 Cb 0.62 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 2jmh h GLU 20 CO -0.34 -0.17 0.34 0.37 -1.16 0.00 0.00 179.01 178.06 2jmh h GLN 21 N -0.26 1.13 -0.31 2.33 4.15 -0.25 -1.45 115.11 120.44 2jmh h GLN 21 Ca 0.08 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 2jmh h GLN 21 Cb 0.38 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2jmh h GLN 21 CO -0.23 0.89 0.13 0.00 -1.93 0.00 0.00 178.83 177.70 2jmh h ALA 22 N 1.26 0.41 -0.67 3.38 0.00 -0.49 -0.55 119.26 122.60 2jmh h ALA 22 Ca 0.26 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jmh h ALA 22 Cb 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2jmh h ALA 22 CO -0.03 -0.00 0.26 -0.91 0.00 0.00 0.00 179.25 178.57 2jmh h ASN 23 N 0.36 0.93 -0.67 0.00 2.35 -0.40 -1.29 115.58 116.87 2jmh h ASN 23 Ca 0.11 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 2jmh h ASN 23 Cb 0.17 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 2jmh h ASN 23 CO -0.01 0.85 0.14 -0.74 -1.65 0.00 0.00 177.43 176.03 2jmh h HIS 24 N 0.95 1.15 0.10 1.19 2.76 -1.09 0.20 115.15 120.42 2jmh h HIS 24 Ca 0.22 -0.15 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2jmh h HIS 24 Cb 0.22 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.86 2jmh h HIS 24 CO 0.01 0.95 -0.05 0.00 -1.30 0.00 0.00 177.93 177.55 2jmh h ALA 25 N 1.06 -0.13 -0.19 5.26 0.00 -0.83 -1.47 119.26 122.96 2jmh h ALA 25 Ca 0.21 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2jmh h ALA 25 Cb 0.40 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2jmh h ALA 25 CO 0.01 -0.46 -0.11 -0.84 0.00 0.00 0.00 179.25 177.86 2jmh h ILE 26 N -0.37 1.18 0.36 0.00 3.07 -1.19 -1.24 117.51 119.31 2jmh h ILE 26 Ca -0.01 -0.79 -0.02 0.00 1.55 0.00 0.00 64.86 65.59 2jmh h ILE 26 Cb 0.31 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 38.02 2jmh h ILE 26 CO 0.02 0.25 -0.17 -0.08 -1.05 0.00 0.00 178.15 177.12 2jmh h GLU 27 N 0.28 -0.46 -0.42 0.16 4.81 -0.80 0.31 114.58 118.47 2jmh h GLU 27 Ca 0.06 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2jmh h GLU 27 Cb 0.37 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2jmh h GLU 27 CO 0.02 -0.15 0.27 -0.22 -0.73 0.00 0.00 179.01 178.20 2jmh h LYS 28 N -0.79 0.54 -0.72 1.92 3.64 -1.18 -1.13 116.57 118.85 2jmh h LYS 28 Ca -0.05 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 2jmh h LYS 28 Cb 0.52 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 2jmh h LYS 28 CO 0.08 0.36 0.24 0.78 -2.27 0.00 0.00 179.45 178.64 2jmh h GLY 29 N 0.56 1.18 1.04 5.01 0.00 -1.25 -1.25 103.07 108.36 2jmh h GLY 29 Ca 0.15 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 2jmh h GLY 29 CO -0.04 0.63 0.04 -2.09 0.00 0.00 0.00 176.54 175.09 2jmh h GLU 30 N 1.06 0.98 0.17 4.80 4.81 -0.59 -0.18 114.58 125.64 2jmh h GLU 30 Ca 0.24 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2jmh h GLU 30 Cb 0.28 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2jmh h GLU 30 CO -0.01 0.96 -0.08 1.25 -0.73 0.00 0.00 179.01 180.40 2jmh h HIS 31 N 0.87 -0.22 -0.58 0.92 2.76 -0.99 -0.92 115.15 117.01 2jmh h HIS 31 Ca 0.17 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2jmh h HIS 31 Cb 0.49 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 2jmh h HIS 31 CO 0.04 0.10 0.32 -0.56 -1.30 0.00 0.00 177.93 176.52 2jmh h GLN 32 N -0.54 0.79 -0.03 5.26 -0.00 -1.23 -1.53 115.11 117.83 2jmh h GLN 32 Ca -0.02 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.54 2jmh h GLN 32 Cb 0.41 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.48 27.73 2jmh h GLN 32 CO 0.04 0.58 -0.00 1.25 -0.00 0.00 0.00 178.83 180.69 2jmh h LEU 33 N 0.80 0.06 -0.79 0.06 7.12 -0.94 0.14 115.31 121.75 2jmh h LEU 33 Ca 0.21 -0.35 0.03 0.00 0.13 0.00 0.00 57.88 57.90 2jmh h LEU 33 Cb 0.01 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.08 2jmh h LEU 33 CO -0.03 0.39 0.51 -0.07 -0.13 0.00 0.00 178.44 179.10 2jmh h LEU 34 N -0.28 0.84 -0.36 2.25 3.38 -0.90 0.68 115.31 120.92 2jmh h LEU 34 Ca 0.01 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2jmh h LEU 34 Cb 0.36 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2jmh h LEU 34 CO 0.00 0.58 -0.57 0.22 0.09 0.00 0.00 178.44 178.76 2jmh h TYR 35 N 0.99 0.96 0.00 1.13 5.03 -1.24 -3.06 116.97 120.78 2jmh h TYR 35 Ca 0.32 -0.35 -0.08 0.00 2.58 0.00 0.00 58.73 61.20 2jmh h TYR 35 Cb 0.01 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.11 2jmh h TYR 35 CO -0.03 1.15 -0.36 1.25 -1.32 0.00 0.00 178.16 178.85 2jmh h LEU 36 N 0.58 0.00 -1.21 2.82 6.46 -0.21 -2.87 115.31 120.88 2jmh h LEU 36 Ca 0.01 0.00 0.20 0.00 -0.12 0.00 0.00 57.88 57.97 2jmh h LEU 36 Cb 1.16 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 41.00 2jmh h LEU 36 CO 0.12 0.36 0.62 -0.61 -0.62 0.00 0.00 178.44 178.30 2jmh h GLN 37 N 0.00 0.60 0.33 1.25 5.75 -0.77 -1.16 115.11 121.11 2jmh h GLN 37 Ca -0.00 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 2jmh h GLN 37 Cb 0.64 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.06 2jmh h GLN 37 CO 0.05 0.40 -0.16 0.45 -2.65 0.00 0.00 178.83 176.92 2jmh h HIS 38 N 0.62 -0.41 -0.93 3.99 3.86 -1.63 -1.04 115.15 119.60 2jmh h HIS 38 Ca 0.54 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.85 2jmh h HIS 38 Cb 1.04 0.14 -0.08 0.00 1.06 0.00 0.00 27.41 29.57 2jmh h HIS 38 CO -0.00 -0.17 0.57 1.96 0.86 0.00 0.00 177.93 181.15 2jmh h GLN 39 N -0.57 0.92 -0.02 2.45 1.08 -1.41 -1.36 115.11 116.19 2jmh h GLN 39 Ca -0.05 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2jmh h GLN 39 Cb 0.42 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2jmh h GLN 39 CO 0.07 0.61 0.01 1.25 -0.95 0.00 0.00 178.83 179.82 2jmh h LEU 40 N 0.94 0.03 -0.63 1.46 5.85 -1.08 0.23 115.31 122.11 2jmh h LEU 40 Ca 0.45 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 59.08 2jmh h LEU 40 Cb 0.38 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 2jmh h LEU 40 CO -0.24 0.19 0.29 -0.78 -0.34 0.00 0.00 178.44 177.56 2jmh h ASP 41 N -0.14 0.37 0.47 1.25 3.58 -0.58 0.68 116.42 122.05 2jmh h ASP 41 Ca 0.01 0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.37 2jmh h ASP 41 Cb 0.17 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2jmh h ASP 41 CO -0.00 0.23 -0.61 -0.08 -2.88 0.00 0.00 179.24 175.89 2jmh h GLU 42 N 0.52 0.14 -0.06 0.28 4.81 -1.13 -3.03 114.58 116.11 2jmh h GLU 42 Ca 0.30 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 2jmh h GLU 42 Cb 0.30 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2jmh h GLU 42 CO -0.25 0.71 -0.47 1.25 -0.73 0.00 0.00 179.01 179.52 2jmh h LEU 43 N 0.10 0.14 -0.72 1.64 6.46 0.65 0.10 115.31 123.69 2jmh h LEU 43 Ca -0.01 -0.07 0.09 0.00 -0.12 0.00 0.00 57.88 57.78 2jmh h LEU 43 Cb 1.10 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.92 2jmh h LEU 43 CO 0.09 0.59 0.37 0.78 -0.62 0.00 0.00 178.44 179.66 2jmh h ASN 44 N 0.11 0.50 0.04 1.25 -0.26 -0.78 0.35 115.58 116.79 2jmh h ASN 44 Ca 0.01 0.06 -0.28 0.00 -0.56 0.00 0.00 56.30 55.53 2jmh h ASN 44 Cb 0.87 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 38.07 2jmh h ASN 44 CO 0.07 0.29 -1.50 -0.08 -1.06 0.00 0.00 177.43 175.15 2jmh h GLU 45 N 0.64 0.09 -0.82 0.81 4.81 -1.64 -3.36 114.58 115.10 2jmh h GLU 45 Ca 0.35 -0.15 0.14 0.00 -0.13 0.00 0.00 59.36 59.57 2jmh h GLU 45 Cb 0.35 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 2jmh h GLU 45 CO -0.26 1.07 0.54 -0.97 -0.73 0.00 0.00 179.01 178.66 2jmh h ASN 46 N -0.67 0.56 -5.07 1.04 -1.24 -0.74 -3.45 115.58 106.01 2jmh h ASN 46 Ca -0.37 0.03 -0.35 0.00 0.71 0.00 0.00 56.30 56.32 2jmh h ASN 46 Cb 1.54 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 40.45 2jmh h ASN 46 CO -0.12 0.30 -0.51 0.29 -1.29 0.00 0.00 177.43 176.10 2jmh n LYS 47 N -4.52 -3.30 -2.37 6.67 4.76 0.12 -4.87 118.16 114.64 2jmh n LYS 47 Ca 0.15 0.52 -0.42 0.00 -2.87 0.00 0.00 58.31 55.69 2jmh n LYS 47 Cb 0.46 -5.22 -0.03 0.00 -1.84 0.00 0.00 35.03 28.40 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 -2.58 6.96 0.22 4.39 0.15 -1.26 -4.74 113.70 116.84 2jmh s SER 48 Ca 0.31 1.89 -0.09 0.00 0.70 0.00 0.00 55.95 58.77 2jmh s SER 48 Cb -0.16 -2.55 0.18 0.00 -1.71 0.00 0.00 66.02 61.77 2jmh s SER 48 CO 0.38 -0.66 1.87 0.07 1.20 0.00 0.00 173.24 176.10 2jmh h LYS 49 N 7.75 1.10 -0.06 5.44 2.10 -1.93 -0.39 116.57 130.58 2jmh h LYS 49 Ca -0.34 -0.09 -0.02 0.00 -2.00 0.00 0.00 60.65 58.20 2jmh h LYS 49 Cb 1.16 -0.23 -0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2jmh h LYS 49 CO 0.90 0.77 -0.02 0.93 -2.00 0.00 0.00 179.45 180.03 2jmh h GLU 50 N 1.11 0.13 -0.80 0.07 5.08 -1.96 -1.21 114.58 117.01 2jmh h GLU 50 Ca 0.29 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.64 2jmh h GLU 50 Cb -0.06 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 2jmh h GLU 50 CO -0.06 0.48 0.52 1.25 -1.00 0.00 0.00 179.01 180.21 2jmh h LEU 51 N -0.23 0.84 0.15 1.33 5.85 -1.92 -0.30 115.31 121.03 2jmh h LEU 51 Ca 0.02 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2jmh h LEU 51 Cb 0.44 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2jmh h LEU 51 CO 0.01 0.58 -0.07 -0.61 -0.34 0.00 0.00 178.44 178.00 2jmh h GLN 52 N 0.98 -0.19 -0.43 1.25 4.15 -0.99 -0.90 115.11 118.98 2jmh h GLN 52 Ca 0.32 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.81 2jmh h GLN 52 Cb 0.04 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2jmh h GLN 52 CO -0.09 0.21 0.29 0.93 -1.93 0.00 0.00 178.83 178.24 2jmh h GLU 53 N -0.68 0.30 0.05 1.69 5.08 -0.98 0.39 114.58 120.43 2jmh h GLU 53 Ca -0.02 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jmh h GLU 53 Cb 0.50 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jmh h GLU 53 CO 0.03 0.20 -0.03 0.87 -1.00 0.00 0.00 179.01 179.09 2jmh h LYS 54 N 0.31 -0.07 -0.42 2.33 1.79 -1.00 -2.77 116.57 116.74 2jmh h LYS 54 Ca 0.19 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.69 2jmh h LYS 54 Cb 0.36 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 2jmh h LYS 54 CO -0.04 0.53 0.24 0.82 -1.08 0.00 0.00 179.45 179.92 2jmh h ILE 55 N -0.77 1.04 -1.00 1.86 2.04 -0.77 -1.21 117.51 118.70 2jmh h ILE 55 Ca -0.01 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.74 2jmh h ILE 55 Cb 0.63 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 2jmh h ILE 55 CO 0.01 0.09 0.65 -0.29 0.00 0.00 0.00 178.15 178.61 2jmh h ILE 56 N 0.49 1.13 0.22 -0.67 2.10 -1.03 0.30 117.51 120.04 2jmh h ILE 56 Ca 0.17 -0.41 -0.01 0.00 1.08 0.00 0.00 64.86 65.68 2jmh h ILE 56 Cb 0.02 -0.19 0.00 0.00 -1.09 0.00 0.00 36.82 35.56 2jmh h ILE 56 CO -0.08 0.22 -0.10 0.03 -1.08 0.00 0.00 178.15 177.14 2jmh h ARG 57 N 1.21 -0.28 -0.34 2.19 -0.00 -1.11 0.86 114.38 116.91 2jmh h ARG 57 Ca 0.41 0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.91 2jmh h ARG 57 Cb 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.11 2jmh h ARG 57 CO -0.15 0.03 0.20 1.49 0.00 0.00 0.00 179.97 181.54 2jmh h GLU 58 N -0.60 0.47 -0.38 0.04 4.81 -0.98 -1.26 114.58 116.69 2jmh h GLU 58 Ca -0.03 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 2jmh h GLU 58 Cb 0.44 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2jmh h GLU 58 CO 0.05 0.38 0.01 1.25 -0.73 0.00 0.00 179.01 179.96 2jmh h LEU 59 N 0.44 0.56 0.29 1.64 5.85 -0.43 -0.86 115.31 122.79 2jmh h LEU 59 Ca 0.12 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2jmh h LEU 59 Cb 0.04 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2jmh h LEU 59 CO -0.02 0.62 -0.14 -0.78 -0.34 0.00 0.00 178.44 177.78 2jmh h ASP 60 N 0.56 -0.33 -0.64 1.25 3.58 -0.39 0.16 116.42 120.61 2jmh h ASP 60 Ca 0.12 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2jmh h ASP 60 Cb 0.35 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.45 2jmh h ASP 60 CO 0.01 -0.01 0.40 -0.37 -2.88 0.00 0.00 179.24 176.39 2jmh h VAL 61 N -0.68 1.18 0.49 2.25 -1.51 -1.15 0.75 116.25 117.57 2jmh h VAL 61 Ca -0.04 -0.36 -0.02 0.00 -1.23 0.00 0.00 66.70 65.05 2jmh h VAL 61 Cb 0.47 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 2jmh h VAL 61 CO 0.07 0.18 -0.23 0.58 -1.23 0.00 0.00 177.57 176.93 2jmh h VAL 62 N 0.87 0.42 -0.16 7.19 2.07 -1.15 -1.54 116.25 123.95 2jmh h VAL 62 Ca 0.23 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.41 2jmh h VAL 62 Cb -0.06 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2jmh h VAL 62 CO -0.05 0.06 0.13 0.00 0.02 0.00 0.00 177.57 177.73 2jmh h ALA 64 N 1.88 -0.50 -0.52 0.00 0.00 -0.66 -0.23 119.26 119.23 2jmh h ALA 64 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2jmh h ALA 64 Cb 0.34 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2jmh h ALA 64 CO -0.00 -0.50 0.23 0.00 0.00 0.00 0.00 179.25 178.98 2jmh h MET 65 N -1.06 0.74 -0.10 0.00 -0.00 -0.99 -1.43 114.93 112.08 2jmh h MET 65 Ca -0.05 -0.10 -0.04 0.00 -0.00 0.00 0.00 59.70 59.52 2jmh h MET 65 Cb 0.48 -0.14 -0.00 0.00 -0.00 0.00 0.00 31.60 31.94 2jmh h MET 65 CO 0.08 0.59 -0.08 0.82 -0.00 0.00 0.00 176.91 178.32 2jmh h ILE 66 N 0.74 1.34 -0.14 -0.10 5.03 -0.87 -0.75 117.51 122.76 2jmh h ILE 66 Ca 0.18 -1.18 0.01 0.00 -0.12 0.00 0.00 64.86 63.75 2jmh h ILE 66 Cb 0.11 1.90 -0.01 0.00 -3.03 0.00 0.00 36.82 35.79 2jmh h ILE 66 CO -0.02 0.34 0.05 -0.33 -0.68 0.00 0.00 178.15 177.50 2jmh h GLU 67 N -0.15 0.11 -0.12 2.37 5.08 -0.79 0.22 114.58 121.31 2jmh h GLU 67 Ca 0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2jmh h GLU 67 Cb 0.57 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2jmh h GLU 67 CO 0.02 0.07 0.03 0.78 -1.00 0.00 0.00 179.01 178.91 2jmh h GLY 68 N 0.12 0.20 0.96 -3.84 0.00 -1.31 -0.22 103.07 98.98 2jmh h GLY 68 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2jmh h GLY 68 CO -0.06 0.12 -0.10 0.00 0.00 0.00 0.00 176.54 176.49 2jmh h ALA 69 N 0.82 -0.29 -0.55 3.60 0.00 -1.01 -1.08 119.26 120.75 2jmh h ALA 69 Ca 0.04 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2jmh h ALA 69 Cb 0.26 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2jmh h ALA 69 CO 0.00 -0.64 0.33 0.37 0.00 0.00 0.00 179.25 179.31 2jmh h GLN 70 N -0.34 0.64 -0.05 0.00 4.15 -0.58 0.13 115.11 119.06 2jmh h GLN 70 Ca -0.03 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.36 2jmh h GLN 70 Cb 0.26 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 2jmh h GLN 70 CO 0.05 0.42 0.01 0.78 -1.93 0.00 0.00 178.83 178.16 2jmh h GLY 71 N 0.66 0.06 0.73 2.39 0.00 -0.88 0.13 103.07 106.15 2jmh h GLY 71 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 2jmh h GLY 71 CO -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.43 2jmh h ALA 72 N 1.04 -0.06 -0.26 3.60 0.00 -0.97 -0.99 119.26 121.61 2jmh h ALA 72 Ca 0.02 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2jmh h ALA 72 Cb 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2jmh h ALA 72 CO -0.03 -0.39 0.03 1.25 0.00 0.00 0.00 179.25 180.11 2jmh h LEU 73 N -0.33 -0.03 -0.12 0.00 6.46 -0.70 0.19 115.31 120.79 2jmh h LEU 73 Ca -0.01 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2jmh h LEU 73 Cb 0.30 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 2jmh h LEU 73 CO 0.01 0.02 0.08 -0.33 -0.62 0.00 0.00 178.44 177.59 2jmh h GLU 74 N 0.12 0.16 0.00 1.25 4.39 -0.73 0.12 114.58 119.89 2jmh h GLU 74 Ca 0.12 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 2jmh h GLU 74 Cb 0.14 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2jmh h GLU 74 CO -0.18 0.11 -0.13 0.00 -1.16 0.00 0.00 179.01 177.65 2jmh h ARG 75 N 0.15 0.00 0.05 2.33 2.47 -0.82 0.15 114.38 118.72 2jmh h ARG 75 Ca 0.04 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2jmh h ARG 75 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2jmh h ARG 75 CO -0.01 0.13 -0.03 1.49 0.56 0.00 0.00 179.97 182.12 2jmh h GLU 76 N 0.00 -0.07 0.00 0.04 4.57 0.10 -3.30 114.58 115.92 2jmh h GLU 76 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2jmh h GLU 76 Cb 0.27 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2jmh h GLU 76 CO 0.02 0.52 -0.21 1.37 -1.18 0.00 0.00 179.01 179.52 2jmh h LEU 77 N -0.92 0.00 -1.23 1.64 8.10 -0.65 -1.89 115.31 120.36 2jmh h LEU 77 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 2jmh h LEU 77 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.84 2jmh h LEU 77 CO 0.01 0.21 0.00 0.11 -4.11 0.00 0.00 178.44 174.66 2jmh h LYS 78 N 0.00 0.00 -0.62 0.17 1.79 -0.77 -2.57 116.57 114.57 2jmh h LYS 78 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jmh h LYS 78 Cb 0.46 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.08 2jmh h LYS 78 CO 0.03 0.00 0.39 -0.09 -1.08 0.00 0.00 179.45 178.70 2jmh h ARG 79 N 0.00 0.83 -5.83 3.15 9.65 -1.42 -3.44 114.38 117.31 2jmh h ARG 79 Ca 0.00 -0.06 -0.54 0.00 -1.10 0.00 0.00 59.98 58.28 2jmh h ARG 79 Cb 0.17 -0.18 -0.14 0.00 -1.39 0.00 0.00 29.97 28.42 2jmh h ARG 79 CO 0.00 0.57 -0.72 0.95 2.80 0.00 0.00 179.97 183.56 2jmh s THR 80 N -5.68 2.05 0.00 0.20 -4.23 -0.97 -5.06 115.64 101.95 2jmh s THR 80 Ca -0.10 -2.26 0.00 0.00 -1.18 0.00 0.00 61.69 58.15 2jmh s THR 80 Cb 0.17 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.72 2jmh s THR 80 CO 0.77 -0.42 0.00 -0.90 -0.54 0.00 0.00 174.62 173.53 2jmh n ASP 81 N -0.56 -0.86 -3.98 3.99 5.68 -1.26 -5.02 116.55 114.54 2jmh n ASP 81 Ca -0.06 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 53.94 2jmh n ASP 81 Cb 0.61 -0.30 -0.17 0.00 -1.14 0.00 0.00 41.12 40.13 2jmh n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2jmh s LEU 82 N -0.06 1.59 -0.29 -2.12 0.20 -1.26 -4.91 118.68 111.82 2jmh s LEU 82 Ca 0.00 -0.47 -0.31 0.00 0.69 0.00 0.00 54.13 54.04 2jmh s LEU 82 Cb 0.00 -1.08 0.19 0.00 -0.43 0.00 0.00 46.19 44.87 2jmh s LEU 82 CO 0.00 -0.09 1.37 0.21 -0.29 0.00 0.00 176.35 177.55 2jmh s ASN 83 N 1.55 -0.03 0.07 3.68 3.04 -1.26 -4.99 114.94 117.00 2jmh s ASN 83 Ca 0.04 0.03 -0.32 0.00 0.04 0.00 0.00 52.86 52.65 2jmh s ASN 83 Cb -0.13 0.03 -0.19 0.00 -1.54 0.00 0.00 41.25 39.42 2jmh s ASN 83 CO -0.10 -0.03 1.63 0.40 -3.04 0.00 0.00 177.10 175.96 2jmh h ILE 84 N 2.04 0.38 -0.19 -5.21 2.04 -1.98 0.27 117.51 114.86 2jmh h ILE 84 Ca -0.07 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2jmh h ILE 84 Cb 1.18 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2jmh h ILE 84 CO 0.21 0.00 0.10 0.25 0.00 0.00 0.00 178.15 178.71 2jmh h LEU 85 N -0.85 0.24 -0.80 1.44 7.12 -1.99 -1.37 115.31 119.09 2jmh h LEU 85 Ca -0.09 -0.10 0.05 0.00 0.13 0.00 0.00 57.88 57.87 2jmh h LEU 85 Cb 0.65 -0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 40.67 2jmh h LEU 85 CO 0.14 0.27 0.50 -0.33 -0.13 0.00 0.00 178.44 178.89 2jmh h GLU 86 N 0.19 0.91 -0.33 1.25 5.08 -1.93 -1.12 114.58 118.63 2jmh h GLU 86 Ca 0.07 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2jmh h GLU 86 Cb 0.09 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2jmh h GLU 86 CO -0.01 0.60 0.13 -0.09 -1.00 0.00 0.00 179.01 178.65 2jmh h ARG 87 N 0.94 0.49 0.52 2.33 2.43 -0.20 0.73 114.38 121.61 2jmh h ARG 87 Ca 0.34 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2jmh h ARG 87 Cb 0.09 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2jmh h ARG 87 CO -0.14 0.49 -0.30 0.35 -1.51 0.00 0.00 179.97 178.86 2jmh h PHE 88 N 0.38 -0.77 -0.78 2.20 3.57 -0.77 0.22 116.94 120.99 2jmh h PHE 88 Ca 0.11 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.62 2jmh h PHE 88 Cb 0.18 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 2jmh h PHE 88 CO -0.01 -0.46 0.50 -0.91 -2.23 0.00 0.00 178.31 175.21 2jmh h ASN 89 N -0.76 0.84 -0.34 0.41 4.21 -1.20 -1.62 115.58 117.12 2jmh h ASN 89 Ca -0.06 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.42 2jmh h ASN 89 Cb 0.61 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 2jmh h ASN 89 CO 0.08 0.59 0.16 1.88 -1.29 0.00 0.00 177.43 178.84 2jmh h TYR 90 N 0.99 0.49 0.27 1.19 -1.99 -0.63 0.12 116.97 117.41 2jmh h TYR 90 Ca 0.31 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 61.01 2jmh h TYR 90 Cb -0.02 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 2jmh h TYR 90 CO -0.03 0.43 -0.23 1.49 -0.00 0.00 0.00 178.16 179.83 2jmh h GLU 91 N 0.40 -0.50 -0.43 4.88 4.81 -0.16 -1.08 114.58 122.51 2jmh h GLU 91 Ca 0.11 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2jmh h GLU 91 Cb 0.13 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2jmh h GLU 91 CO -0.01 -0.33 0.25 1.49 -0.73 0.00 0.00 179.01 179.68 2jmh h GLU 92 N -0.51 0.58 -0.27 1.92 4.81 -1.24 -0.82 114.58 119.04 2jmh h GLU 92 Ca -0.01 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2jmh h GLU 92 Cb 0.46 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 2jmh h GLU 92 CO -0.02 0.44 -0.16 0.00 -0.73 0.00 0.00 179.01 178.54 2jmh h ALA 93 N 1.11 0.04 -0.42 2.92 0.00 -0.55 -0.58 119.26 121.78 2jmh h ALA 93 Ca 0.15 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 2jmh h ALA 93 Cb 0.02 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2jmh h ALA 93 CO -0.03 -0.56 -0.03 0.37 0.00 0.00 0.00 179.25 178.99 2jmh h GLN 94 N -0.13 0.69 0.17 0.00 4.15 -1.01 -1.47 115.11 117.50 2jmh h GLN 94 Ca 0.15 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2jmh h GLN 94 Cb 0.35 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2jmh h GLN 94 CO -0.35 0.73 -0.11 1.15 -1.93 0.00 0.00 178.83 178.31 2jmh h THR 95 N 0.64 0.75 -0.45 2.39 2.02 -0.02 0.16 112.91 118.41 2jmh h THR 95 Ca 0.13 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 2jmh h THR 95 Cb 0.45 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2jmh h THR 95 CO 0.02 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.89 2jmh h LEU 96 N -0.28 0.73 -0.58 2.58 3.38 -1.06 -1.73 115.31 118.34 2jmh h LEU 96 Ca -0.01 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.69 2jmh h LEU 96 Cb 0.24 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2jmh h LEU 96 CO 0.00 0.82 0.38 0.77 0.09 0.00 0.00 178.44 180.51 2jmh h SER 97 N 0.61 0.65 -0.02 -0.43 4.64 -1.09 -0.32 113.55 117.59 2jmh h SER 97 Ca 0.13 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2jmh h SER 97 Cb 0.42 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2jmh h SER 97 CO 0.01 0.47 0.01 0.11 -0.87 0.00 0.00 176.83 176.56 2jmh h LYS 98 N 0.77 0.03 -0.13 4.77 1.57 -0.56 -0.77 116.57 122.26 2jmh h LYS 98 Ca 0.22 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 2jmh h LYS 98 Cb -0.07 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2jmh h LYS 98 CO -0.06 0.19 -0.04 0.82 -0.57 0.00 0.00 179.45 179.79 2jmh h ILE 99 N -0.13 0.85 -0.69 1.86 2.04 -1.10 -1.26 117.51 119.08 2jmh h ILE 99 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2jmh h ILE 99 Cb 0.17 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 2jmh h ILE 99 CO -0.00 0.00 0.44 0.25 0.00 0.00 0.00 178.15 178.84 2jmh h LEU 100 N -0.01 0.74 -0.31 1.44 7.12 -1.01 -1.60 115.31 121.68 2jmh h LEU 100 Ca 0.07 -0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.09 2jmh h LEU 100 Cb 0.11 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.04 2jmh h LEU 100 CO -0.14 0.52 0.13 -0.07 -0.13 0.00 0.00 178.44 178.75 2jmh h LEU 101 N 0.88 0.18 0.15 2.25 3.38 -0.69 0.04 115.31 121.50 2jmh h LEU 101 Ca 0.27 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 2jmh h LEU 101 Cb -0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2jmh h LEU 101 CO -0.09 0.14 -0.09 0.50 0.09 0.00 0.00 178.44 179.00 2jmh h LYS 102 N 0.29 -0.21 -0.62 1.13 3.64 -0.87 -1.00 116.57 118.92 2jmh h LYS 102 Ca 0.13 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.59 2jmh h LYS 102 Cb 0.07 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 2jmh h LYS 102 CO -0.11 -0.14 0.32 -0.44 -2.27 0.00 0.00 179.45 176.81 2jmh h ASP 103 N -0.22 0.46 -0.21 4.20 5.19 -1.08 -1.36 116.42 123.40 2jmh h ASP 103 Ca -0.01 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2jmh h ASP 103 Cb 0.18 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 2jmh h ASP 103 CO 0.02 0.30 0.12 0.25 -3.12 0.00 0.00 179.24 176.81 2jmh h LEU 104 N 0.60 0.20 -0.41 1.55 5.85 -0.72 -1.12 115.31 121.26 2jmh h LEU 104 Ca 0.28 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.05 2jmh h LEU 104 Cb 0.21 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2jmh h LEU 104 CO -0.20 0.15 0.17 0.11 -0.34 0.00 0.00 178.44 178.33 2jmh h LYS 105 N 0.26 0.33 -0.38 1.25 1.57 -0.66 -1.11 116.57 117.83 2jmh h LYS 105 Ca 0.08 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2jmh h LYS 105 Cb -0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2jmh h LYS 105 CO -0.03 0.22 0.24 1.49 -0.57 0.00 0.00 179.45 180.79 2jmh h GLU 106 N 0.34 0.47 0.04 3.15 4.57 -0.98 -1.12 114.58 121.06 2jmh h GLU 106 Ca 0.18 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 2jmh h GLU 106 Cb 0.14 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2jmh h GLU 106 CO -0.17 0.31 -0.11 1.15 -1.18 0.00 0.00 179.01 179.02 2jmh h THR 107 N 0.48 0.74 -0.51 0.32 2.02 -0.75 -1.19 112.91 114.03 2jmh h THR 107 Ca 0.14 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.37 2jmh h THR 107 Cb -0.03 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2jmh h THR 107 CO -0.05 0.00 0.26 -0.08 0.37 0.00 0.00 175.52 176.02 2jmh h GLU 108 N -0.21 0.49 -0.26 6.66 4.81 -1.03 -1.12 114.58 123.92 2jmh h GLU 108 Ca 0.03 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2jmh h GLU 108 Cb 0.23 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2jmh h GLU 108 CO -0.08 0.32 0.05 0.37 -0.73 0.00 0.00 179.01 178.94 2jmh h GLN 109 N 0.50 0.14 -0.22 1.92 4.15 -0.89 -0.31 115.11 120.40 2jmh h GLN 109 Ca 0.22 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.65 2jmh h GLN 109 Cb 0.13 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2jmh h GLN 109 CO -0.16 0.09 0.11 0.87 -1.93 0.00 0.00 178.83 177.82 2jmh h LYS 110 N 0.15 0.23 -0.52 1.69 1.57 -0.79 0.12 116.57 119.01 2jmh h LYS 110 Ca 0.12 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2jmh h LYS 110 Cb 0.12 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2jmh h LYS 110 CO -0.16 0.15 0.29 0.28 -0.57 0.00 0.00 179.45 179.44 2jmh h VAL 111 N 0.23 1.01 0.00 0.50 2.07 -0.86 -1.10 116.25 118.11 2jmh h VAL 111 Ca 0.09 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 2jmh h VAL 111 Cb 0.02 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2jmh h VAL 111 CO -0.06 0.10 -0.37 0.11 0.02 0.00 0.00 177.57 177.37 2jmh h LYS 112 N 0.57 0.00 -0.18 1.57 1.57 -0.75 -3.06 116.57 116.28 2jmh h LYS 112 Ca 0.22 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 2jmh h LYS 112 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2jmh h LYS 112 CO -0.12 0.37 -0.13 0.22 -0.57 0.00 0.00 179.45 179.22 2jmh h ASP 113 N 0.00 0.43 -2.33 0.86 1.82 0.24 -3.44 116.42 114.00 2jmh h ASP 113 Ca -0.00 -0.45 -0.57 0.00 -0.39 0.00 0.00 57.03 55.62 2jmh h ASP 113 Cb 0.73 -0.12 0.05 0.00 0.68 0.00 0.00 39.33 40.67 2jmh h ASP 113 CO 0.05 0.78 0.91 -0.38 -1.61 0.00 0.00 179.24 178.99 2jmh n ILE 114 N -4.54 0.13 -3.31 2.25 -0.00 -0.51 -4.96 119.36 108.41 2jmh n ILE 114 Ca -0.05 -0.02 -0.38 0.00 -0.00 0.00 0.00 62.75 62.29 2jmh n ILE 114 Cb 0.35 -1.73 -0.06 0.00 -0.00 0.00 0.00 39.64 38.20 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 1.61 4.21 0.30 0.38 -2.07 -1.26 -4.99 119.66 117.84 2jmh s GLN 115 Ca 0.80 0.60 -0.03 0.00 -1.82 0.00 0.00 55.36 54.91 2jmh s GLN 115 Cb -0.63 -3.32 -0.01 0.00 -1.09 0.00 0.00 33.01 27.97 2jmh s GLN 115 CO 0.39 0.45 0.38 0.95 -1.32 0.00 0.00 175.29 176.14 2jmh s THR 116 N -0.39 0.00 -2.00 3.63 -4.23 -1.26 -4.93 115.64 106.46 2jmh s THR 116 Ca 0.28 -1.69 0.22 0.00 -1.18 0.00 0.00 61.69 59.32 2jmh s THR 116 Cb -0.17 -2.51 0.63 0.00 1.34 0.00 0.00 72.50 71.79 2jmh s THR 116 CO 0.15 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 175.94