#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmh s GLU 2 N 0.00 0.97 0.27 -1.09 -1.05 -1.26 -5.18 118.70 111.36 2jmh s GLU 2 Ca 0.00 -0.29 0.04 0.00 -0.15 0.00 0.00 54.97 54.57 2jmh s GLU 2 Cb 0.00 0.45 -0.03 0.00 -0.44 0.00 0.00 34.13 34.11 2jmh s GLU 2 CO 0.00 -0.41 0.41 -1.58 0.95 0.00 0.00 175.26 174.63 2jmh s HIS 3 N -3.06 3.45 0.26 4.83 5.65 -1.26 -5.12 115.29 120.04 2jmh s HIS 3 Ca 0.02 0.06 0.03 0.00 0.25 0.00 0.00 55.06 55.43 2jmh s HIS 3 Cb -0.01 -1.67 -0.03 0.00 -1.18 0.00 0.00 32.58 29.69 2jmh s HIS 3 CO -0.08 0.34 0.41 0.15 -0.65 0.00 0.00 174.74 174.91 2jmh s LYS 4 N -4.07 3.46 0.48 2.88 -0.14 -1.26 -5.00 119.74 116.09 2jmh s LYS 4 Ca 0.36 -0.60 0.31 0.00 -1.36 0.00 0.00 55.97 54.68 2jmh s LYS 4 Cb -0.09 -2.83 1.30 0.00 -1.68 0.00 0.00 37.83 34.53 2jmh s LYS 4 CO 0.31 0.36 1.92 -1.00 -0.76 0.00 0.00 175.35 176.18 2jmh h PRO 5 N 1.17 0.00 -5.69 -1.68 0.13 -2.00 -3.43 132.00 120.51 2jmh h PRO 5 Ca -0.51 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.08 2jmh h PRO 5 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2jmh h PRO 5 CO 0.62 0.00 1.57 1.63 -0.23 0.00 0.00 178.00 181.59 2jmh n LYS 6 N -2.86 1.06 -4.13 0.86 5.02 -1.26 -4.93 118.16 111.92 2jmh n LYS 6 Ca 0.01 0.17 -0.24 0.00 -2.02 0.00 0.00 58.31 56.23 2jmh n LYS 6 Cb 0.28 -2.87 -0.05 0.00 -0.02 0.00 0.00 35.03 32.37 2jmh n LYS 6 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jmh s LYS 7 N 7.51 2.83 0.56 1.97 2.47 -1.26 -5.00 119.74 128.81 2jmh s LYS 7 Ca 1.07 -1.04 0.27 0.00 -1.56 0.00 0.00 55.97 54.71 2jmh s LYS 7 Cb -0.54 -2.54 1.64 0.00 -1.46 0.00 0.00 37.83 34.94 2jmh s LYS 7 CO 0.37 0.42 2.19 0.38 0.16 0.00 0.00 175.35 178.88 2jmh h ASP 8 N 1.87 0.00 -0.61 1.43 2.03 -2.01 -1.09 116.42 118.04 2jmh h ASP 8 Ca -0.48 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 55.55 2jmh h ASP 8 Cb 1.23 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.56 2jmh h ASP 8 CO 0.61 0.04 0.21 -0.67 -1.03 0.00 0.00 179.24 178.40 2jmh n ASP 9 N -3.90 3.39 0.00 4.15 2.03 -1.26 -4.52 116.55 116.44 2jmh n ASP 9 Ca -0.03 -3.56 0.13 0.00 0.52 0.00 0.00 54.79 51.86 2jmh n ASP 9 Cb 0.12 -0.71 0.74 0.00 -0.72 0.00 0.00 41.12 40.55 2jmh n ASP 9 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2jmh n PHE 10 N -0.92 0.00 -1.38 -0.67 -1.74 -0.41 -4.83 117.46 107.52 2jmh n PHE 10 Ca 0.42 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 57.01 2jmh n PHE 10 Cb 1.28 -0.16 0.22 0.00 1.52 0.00 0.00 39.48 42.35 2jmh n PHE 10 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2jmh s ARG 11 N -2.31 -0.64 -0.20 3.97 1.81 -1.26 -5.00 118.95 115.31 2jmh s ARG 11 Ca 0.33 -0.21 -0.28 0.00 -1.72 0.00 0.00 55.73 53.85 2jmh s ARG 11 Cb 0.18 -1.68 0.10 0.00 -0.45 0.00 0.00 34.95 33.11 2jmh s ARG 11 CO 0.36 -3.30 0.88 0.54 -0.68 0.00 0.00 175.30 173.10 2jmh s ASN 12 N -4.26 -0.54 -0.34 0.23 2.20 -1.26 -5.05 114.94 105.92 2jmh s ASN 12 Ca 0.72 0.85 0.07 0.00 -0.94 0.00 0.00 52.86 53.56 2jmh s ASN 12 Cb -0.07 0.79 0.48 0.00 -2.00 0.00 0.00 41.25 40.45 2jmh s ASN 12 CO 0.55 -0.32 1.44 -0.62 -2.94 0.00 0.00 177.10 175.21 2jmh n GLU 13 N 1.67 2.46 -2.44 3.55 -0.58 -1.26 -4.91 120.64 119.13 2jmh n GLU 13 Ca -0.14 -3.51 -0.17 0.00 -0.42 0.00 0.00 57.16 52.92 2jmh n GLU 13 Cb 0.56 -2.00 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 2jmh n GLU 13 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2jmh n PHE 14 N -0.98 -1.21 0.20 -0.32 3.72 -1.26 -4.82 117.46 112.80 2jmh n PHE 14 Ca 0.39 0.02 0.17 0.00 -0.05 0.00 0.00 57.45 57.98 2jmh n PHE 14 Cb 0.94 -3.45 0.82 0.00 -0.94 0.00 0.00 39.48 36.85 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 -0.04 0.00 -5.54 4.37 3.32 -2.01 -3.45 116.42 113.07 2jmh h ASP 15 Ca -0.41 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.22 2jmh h ASP 15 Cb 1.30 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.88 2jmh h ASP 15 CO 0.48 0.00 -0.67 1.57 -1.72 0.00 0.00 179.24 178.91 2jmh n HIS 16 N -3.85 -2.30 -2.43 4.55 -0.00 -1.26 -4.98 115.22 104.96 2jmh n HIS 16 Ca 0.02 0.77 -0.24 0.00 0.46 0.00 0.00 57.72 58.72 2jmh n HIS 16 Cb 0.32 -4.26 0.07 0.00 -0.12 0.00 0.00 29.99 26.00 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 -7.01 3.02 0.00 0.27 1.43 -1.26 -4.91 118.68 110.21 2jmh s LEU 17 Ca 0.51 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 2jmh s LEU 17 Cb -0.24 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.21 2jmh s LEU 17 CO 0.63 -1.52 0.73 0.18 0.23 0.00 0.00 176.35 176.59 2jmh n LEU 18 N -2.72 0.02 -0.35 1.79 4.77 -1.26 -1.14 117.00 118.10 2jmh n LEU 18 Ca 0.10 0.73 0.12 0.00 -0.03 0.00 0.00 56.01 56.93 2jmh n LEU 18 Cb 0.60 -0.24 0.31 0.00 -2.33 0.00 0.00 43.42 41.76 2jmh n LEU 18 CO 0.47 -0.24 1.19 0.40 -1.33 0.00 0.00 177.39 177.88 2jmh h ILE 19 N 0.00 0.72 -0.03 -0.08 1.08 -1.96 -1.13 117.51 116.11 2jmh h ILE 19 Ca 0.00 -0.26 0.03 0.00 -0.39 0.00 0.00 64.86 64.24 2jmh h ILE 19 Cb 0.00 -0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 33.59 2jmh h ILE 19 CO 0.00 0.14 -0.23 -0.08 -0.69 0.00 0.00 178.15 177.29 2jmh h GLU 20 N 0.77 -0.34 -0.76 2.37 4.22 -1.96 0.20 114.58 119.09 2jmh h GLU 20 Ca 0.56 0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.99 2jmh h GLU 20 Cb 0.84 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 2jmh h GLU 20 CO -0.37 -0.22 0.35 0.37 -2.18 0.00 0.00 179.01 176.95 2jmh h GLN 21 N -0.35 1.09 -0.36 1.92 4.15 -0.14 -1.49 115.11 119.93 2jmh h GLN 21 Ca 0.07 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 2jmh h GLN 21 Cb 0.45 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2jmh h GLN 21 CO -0.23 0.85 0.17 0.00 -1.93 0.00 0.00 178.83 177.69 2jmh h ALA 22 N 1.30 0.47 -0.62 3.38 0.00 -0.54 -0.44 119.26 122.81 2jmh h ALA 22 Ca 0.26 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2jmh h ALA 22 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2jmh h ALA 22 CO -0.03 0.04 0.18 -0.91 0.00 0.00 0.00 179.25 178.53 2jmh h ASN 23 N 0.45 0.91 -0.61 0.00 2.35 -0.36 -1.36 115.58 116.96 2jmh h ASN 23 Ca 0.12 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 2jmh h ASN 23 Cb 0.13 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2jmh h ASN 23 CO -0.01 0.88 0.10 -0.74 -1.65 0.00 0.00 177.43 176.01 2jmh h HIS 24 N 0.89 1.09 0.08 1.19 2.76 -1.08 -0.01 115.15 120.06 2jmh h HIS 24 Ca 0.20 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2jmh h HIS 24 Cb 0.31 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2jmh h HIS 24 CO 0.02 0.92 -0.04 0.00 -1.30 0.00 0.00 177.93 177.53 2jmh h ALA 25 N 1.14 -0.10 -0.21 5.26 0.00 -0.83 -1.49 119.26 123.02 2jmh h ALA 25 Ca 0.19 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2jmh h ALA 25 Cb 0.42 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2jmh h ALA 25 CO 0.01 -0.41 -0.08 -0.84 0.00 0.00 0.00 179.25 177.93 2jmh h ILE 26 N -0.41 1.18 0.14 0.00 3.07 -1.20 -1.47 117.51 118.83 2jmh h ILE 26 Ca -0.01 -0.76 -0.01 0.00 1.55 0.00 0.00 64.86 65.63 2jmh h ILE 26 Cb 0.35 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 38.01 2jmh h ILE 26 CO 0.02 0.25 -0.07 -0.33 -1.05 0.00 0.00 178.15 176.97 2jmh h GLU 27 N 0.32 -0.18 -0.17 0.16 4.39 -0.89 0.55 114.58 118.76 2jmh h GLU 27 Ca 0.07 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2jmh h GLU 27 Cb 0.35 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2jmh h GLU 27 CO 0.02 0.15 0.11 -0.22 -1.16 0.00 0.00 179.01 177.91 2jmh h LYS 28 N -0.54 0.22 -0.32 2.33 1.63 -1.14 -0.72 116.57 118.03 2jmh h LYS 28 Ca -0.02 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.70 2jmh h LYS 28 Cb 0.42 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 2jmh h LYS 28 CO 0.03 0.16 -0.07 0.78 -3.45 0.00 0.00 179.45 176.90 2jmh h GLY 29 N 0.22 0.56 1.22 5.01 0.00 -1.30 -1.40 103.07 107.38 2jmh h GLY 29 Ca 0.06 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 2jmh h GLY 29 CO -0.01 0.34 -0.31 -2.09 0.00 0.00 0.00 176.54 174.46 2jmh h GLU 30 N 0.49 0.87 0.19 4.80 4.81 -0.51 -0.57 114.58 124.66 2jmh h GLU 30 Ca 0.10 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2jmh h GLU 30 Cb 0.42 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2jmh h GLU 30 CO 0.02 1.06 -0.09 1.25 -0.73 0.00 0.00 179.01 180.52 2jmh h HIS 31 N 0.73 -0.23 -0.58 0.92 2.76 -0.88 -0.98 115.15 116.89 2jmh h HIS 31 Ca 0.08 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2jmh h HIS 31 Cb 0.88 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.89 2jmh h HIS 31 CO 0.05 0.16 0.34 -0.56 -1.30 0.00 0.00 177.93 176.62 2jmh h GLN 32 N -0.73 0.78 -0.09 5.26 -0.00 -1.32 -1.61 115.11 117.41 2jmh h GLN 32 Ca -0.03 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.53 2jmh h GLN 32 Cb 0.50 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.48 27.81 2jmh h GLN 32 CO 0.04 0.56 -0.05 1.25 -0.00 0.00 0.00 178.83 180.63 2jmh h LEU 33 N 0.79 0.19 -0.62 0.06 7.12 -1.10 0.18 115.31 121.93 2jmh h LEU 33 Ca 0.21 -0.42 0.04 0.00 0.13 0.00 0.00 57.88 57.83 2jmh h LEU 33 Cb -0.01 -0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 40.02 2jmh h LEU 33 CO -0.04 0.57 0.36 -0.07 -0.13 0.00 0.00 178.44 179.14 2jmh h LEU 34 N -0.19 0.57 -0.50 2.25 3.38 -0.88 0.51 115.31 120.44 2jmh h LEU 34 Ca 0.02 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2jmh h LEU 34 Cb 0.50 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2jmh h LEU 34 CO 0.01 0.38 -0.72 0.22 0.09 0.00 0.00 178.44 178.43 2jmh h TYR 35 N 0.70 0.28 -0.01 1.13 3.20 -1.29 -3.10 116.97 117.88 2jmh h TYR 35 Ca 0.26 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 2jmh h TYR 35 Cb 0.09 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2jmh h TYR 35 CO -0.07 0.85 -0.46 1.25 -1.64 0.00 0.00 178.16 178.10 2jmh h LEU 36 N 0.14 0.01 -1.24 2.82 6.46 0.05 -2.98 115.31 120.57 2jmh h LEU 36 Ca -0.02 -0.01 0.20 0.00 -0.12 0.00 0.00 57.88 57.93 2jmh h LEU 36 Cb 1.28 -0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 41.11 2jmh h LEU 36 CO 0.11 0.47 0.61 1.56 -0.62 0.00 0.00 178.44 180.57 2jmh h GLN 37 N 0.01 0.58 0.28 1.25 4.20 -0.83 -1.22 115.11 119.38 2jmh h GLN 37 Ca -0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2jmh h GLN 37 Cb 0.81 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2jmh h GLN 37 CO 0.06 0.39 -0.14 1.25 -0.67 0.00 0.00 178.83 179.72 2jmh h HIS 38 N 0.60 -0.35 -0.75 2.96 2.76 -1.67 -1.35 115.15 117.35 2jmh h HIS 38 Ca 0.53 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.78 2jmh h HIS 38 Cb 1.04 0.12 -0.07 0.00 1.55 0.00 0.00 27.41 30.05 2jmh h HIS 38 CO -0.00 -0.12 0.41 1.96 -1.30 0.00 0.00 177.93 178.87 2jmh h GLN 39 N -0.52 0.68 0.53 5.26 1.08 -1.40 -0.89 115.11 119.84 2jmh h GLN 39 Ca -0.04 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 2jmh h GLN 39 Cb 0.39 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2jmh h GLN 39 CO 0.06 0.45 -0.25 1.25 -0.95 0.00 0.00 178.83 179.39 2jmh h LEU 40 N 0.70 -0.60 -1.29 1.46 7.12 -1.14 0.20 115.31 121.76 2jmh h LEU 40 Ca 0.36 0.01 0.14 0.00 0.13 0.00 0.00 57.88 58.52 2jmh h LEU 40 Cb 0.32 0.16 -0.07 0.00 -0.53 0.00 0.00 40.66 40.53 2jmh h LEU 40 CO -0.24 -0.42 0.57 -0.78 -0.13 0.00 0.00 178.44 177.44 2jmh h ASP 41 N -0.73 0.65 0.10 1.25 1.82 -0.89 -0.06 116.42 118.57 2jmh h ASP 41 Ca -0.07 0.04 -0.20 0.00 -0.39 0.00 0.00 57.03 56.41 2jmh h ASP 41 Cb 0.55 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.47 2jmh h ASP 41 CO 0.12 0.33 -0.73 -0.08 -1.61 0.00 0.00 179.24 177.27 2jmh h GLU 42 N 0.69 0.56 -0.02 0.28 4.81 -0.81 -3.12 114.58 116.97 2jmh h GLU 42 Ca 0.44 -0.44 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2jmh h GLU 42 Cb 0.71 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2jmh h GLU 42 CO -0.20 1.07 -0.39 1.25 -0.73 0.00 0.00 179.01 180.01 2jmh h LEU 43 N 0.38 0.03 -0.49 1.64 6.46 0.11 0.93 115.31 124.37 2jmh h LEU 43 Ca -0.03 -0.01 0.10 0.00 -0.12 0.00 0.00 57.88 57.81 2jmh h LEU 43 Cb 1.32 -0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 41.16 2jmh h LEU 43 CO 0.14 0.42 -0.05 0.78 -0.62 0.00 0.00 178.44 179.11 2jmh h ASN 44 N 0.03 -0.30 0.03 1.25 -0.26 -1.02 0.38 115.58 115.69 2jmh h ASN 44 Ca -0.00 0.13 -0.28 0.00 -0.56 0.00 0.00 56.30 55.59 2jmh h ASN 44 Cb 0.70 0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 38.17 2jmh h ASN 44 CO 0.05 -0.11 -1.53 -0.62 -1.06 0.00 0.00 177.43 174.16 2jmh n GLU 45 N -5.28 0.61 -0.31 0.81 -0.58 -1.17 -4.22 120.64 110.51 2jmh n GLU 45 Ca 0.05 0.48 0.15 0.00 -0.42 0.00 0.00 57.16 57.42 2jmh n GLU 45 Cb 0.26 -1.72 0.40 0.00 -0.57 0.00 0.00 31.44 29.82 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 2jmh h ASN 46 N -0.74 0.63 -5.49 1.62 -0.73 -0.79 -3.45 115.58 106.63 2jmh h ASN 46 Ca -0.39 0.07 -0.34 0.00 1.87 0.00 0.00 56.30 57.50 2jmh h ASN 46 Cb 1.50 -0.05 -0.10 0.00 0.27 0.00 0.00 38.32 39.94 2jmh h ASN 46 CO -0.16 0.24 -0.50 0.29 -0.37 0.00 0.00 177.43 176.94 2jmh n LYS 47 N -4.64 -2.88 -2.49 6.67 4.76 0.13 -4.87 118.16 114.85 2jmh n LYS 47 Ca 0.21 0.36 -0.42 0.00 -2.87 0.00 0.00 58.31 55.60 2jmh n LYS 47 Cb 0.62 -5.01 -0.03 0.00 -1.84 0.00 0.00 35.03 28.76 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 -2.63 7.12 0.18 4.39 0.15 -1.26 -4.51 113.70 117.15 2jmh s SER 48 Ca 0.37 1.88 -0.13 0.00 0.70 0.00 0.00 55.95 58.77 2jmh s SER 48 Cb -0.20 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.65 2jmh s SER 48 CO 0.45 -0.47 1.83 0.07 1.20 0.00 0.00 173.24 176.32 2jmh h LYS 49 N 7.01 0.68 -0.12 5.44 2.10 -1.91 -0.59 116.57 129.18 2jmh h LYS 49 Ca -0.39 -0.04 0.02 0.00 -2.00 0.00 0.00 60.65 58.24 2jmh h LYS 49 Cb 1.20 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 32.35 2jmh h LYS 49 CO 0.82 0.45 -0.02 0.93 -2.00 0.00 0.00 179.45 179.63 2jmh h GLU 50 N 0.71 0.01 -0.28 0.07 4.39 -1.97 -1.27 114.58 116.23 2jmh h GLU 50 Ca 0.22 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 2jmh h GLU 50 Cb -0.02 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2jmh h GLU 50 CO -0.08 0.00 0.04 1.25 -1.16 0.00 0.00 179.01 179.06 2jmh h LEU 51 N 0.01 0.38 0.70 1.33 5.85 -1.90 0.51 115.31 122.18 2jmh h LEU 51 Ca 0.06 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2jmh h LEU 51 Cb 0.08 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.02 2jmh h LEU 51 CO -0.12 0.42 -0.33 -0.61 -0.34 0.00 0.00 178.44 177.45 2jmh h GLN 52 N 0.41 -0.90 0.00 1.25 5.75 -0.36 0.23 115.11 121.49 2jmh h GLN 52 Ca 0.10 0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 2jmh h GLN 52 Cb 0.21 0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.96 2jmh h GLN 52 CO 0.00 -0.60 -0.12 0.93 -2.65 0.00 0.00 178.83 176.39 2jmh h GLU 53 N -1.10 0.00 0.26 1.69 5.08 -1.21 -0.90 114.58 118.40 2jmh h GLU 53 Ca -0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2jmh h GLU 53 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2jmh h GLU 53 CO 0.16 0.12 -0.13 0.87 -1.00 0.00 0.00 179.01 179.03 2jmh h LYS 54 N 0.00 -0.34 -0.91 2.33 1.79 -0.81 -2.84 116.57 115.78 2jmh h LYS 54 Ca -0.00 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.52 2jmh h LYS 54 Cb 0.21 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.89 2jmh h LYS 54 CO 0.02 0.01 0.60 0.82 -1.08 0.00 0.00 179.45 179.81 2jmh h ILE 55 N -0.90 1.18 -0.54 1.86 2.04 -0.38 -1.28 117.51 119.48 2jmh h ILE 55 Ca -0.04 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.47 2jmh h ILE 55 Cb 0.51 -0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 2jmh h ILE 55 CO 0.06 0.21 0.29 0.40 0.00 0.00 0.00 178.15 179.11 2jmh h ILE 56 N 1.17 0.97 0.14 -0.67 2.04 -1.22 0.32 117.51 120.27 2jmh h ILE 56 Ca 0.36 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 2jmh h ILE 56 Cb -0.03 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 2jmh h ILE 56 CO -0.10 0.10 -0.07 0.03 0.00 0.00 0.00 178.15 178.11 2jmh h ARG 57 N 0.55 -0.19 0.07 2.37 -0.00 -1.17 -0.12 114.38 115.90 2jmh h ARG 57 Ca 0.24 0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.75 2jmh h ARG 57 Cb 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.11 2jmh h ARG 57 CO -0.15 0.19 -0.20 1.49 0.00 0.00 0.00 179.97 181.29 2jmh h GLU 58 N -0.61 -0.35 -0.90 0.04 4.81 -1.09 0.18 114.58 116.66 2jmh h GLU 58 Ca -0.02 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jmh h GLU 58 Cb 0.46 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 2jmh h GLU 58 CO 0.03 -0.23 0.56 1.25 -0.73 0.00 0.00 179.01 179.89 2jmh h LEU 59 N -0.37 1.07 0.32 1.64 6.46 -0.44 -0.88 115.31 123.12 2jmh h LEU 59 Ca 0.04 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2jmh h LEU 59 Cb 0.41 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 2jmh h LEU 59 CO -0.14 0.80 -0.15 -0.78 -0.62 0.00 0.00 178.44 177.55 2jmh h ASP 60 N 1.24 -0.37 0.10 1.25 3.58 -0.51 0.27 116.42 121.99 2jmh h ASP 60 Ca 0.33 -0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.73 2jmh h ASP 60 Cb -0.08 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 2jmh h ASP 60 CO -0.06 -0.17 -0.19 0.58 -2.88 0.00 0.00 179.24 176.51 2jmh h VAL 61 N -0.54 0.57 0.69 2.25 2.07 -0.49 0.14 116.25 120.94 2jmh h VAL 61 Ca -0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2jmh h VAL 61 Cb 0.40 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2jmh h VAL 61 CO 0.07 0.00 -0.34 0.58 0.02 0.00 0.00 177.57 177.90 2jmh h VAL 62 N -0.36 0.31 -0.44 2.57 2.07 -1.15 -1.44 116.25 117.82 2jmh h VAL 62 Ca 0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.67 2jmh h VAL 62 Cb 0.38 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2jmh h VAL 62 CO -0.11 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.85 2jmh h ALA 64 N 1.68 -0.50 -0.40 0.00 0.00 -0.14 -0.40 119.26 119.49 2jmh h ALA 64 Ca 0.21 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2jmh h ALA 64 Cb 0.94 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2jmh h ALA 64 CO -0.00 -0.50 0.06 0.00 0.00 0.00 0.00 179.25 178.80 2jmh h MET 65 N -1.07 0.62 -0.06 0.00 -0.00 -0.76 -1.55 114.93 112.10 2jmh h MET 65 Ca -0.05 -0.12 -0.02 0.00 -0.00 0.00 0.00 59.70 59.51 2jmh h MET 65 Cb 0.47 -0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 31.98 2jmh h MET 65 CO 0.08 0.60 -0.04 0.82 -0.00 0.00 0.00 176.91 178.37 2jmh h ILE 66 N 0.60 1.34 -0.27 -0.10 5.03 -0.55 -0.16 117.51 123.40 2jmh h ILE 66 Ca 0.13 -1.10 0.01 0.00 -0.12 0.00 0.00 64.86 63.78 2jmh h ILE 66 Cb 0.29 1.96 -0.02 0.00 -3.03 0.00 0.00 36.82 36.02 2jmh h ILE 66 CO 0.00 0.30 0.16 -0.33 -0.68 0.00 0.00 178.15 177.60 2jmh h GLU 67 N -0.28 0.31 -0.35 2.37 4.39 -0.91 0.18 114.58 120.29 2jmh h GLU 67 Ca 0.01 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2jmh h GLU 67 Cb 0.50 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2jmh h GLU 67 CO 0.01 0.21 -0.22 0.78 -1.16 0.00 0.00 179.01 178.63 2jmh h GLY 68 N 0.32 0.73 0.53 -3.84 0.00 -1.32 -0.64 103.07 98.86 2jmh h GLY 68 Ca 0.11 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2jmh h GLY 68 CO -0.05 0.55 -0.17 0.00 0.00 0.00 0.00 176.54 176.87 2jmh h ALA 69 N 1.17 -0.49 -0.96 3.60 0.00 -0.67 -0.87 119.26 121.04 2jmh h ALA 69 Ca 0.09 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2jmh h ALA 69 Cb 0.69 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2jmh h ALA 69 CO 0.05 -0.54 0.63 -0.56 0.00 0.00 0.00 179.25 178.83 2jmh h GLN 70 N -0.96 1.20 -0.23 0.00 -0.00 -0.71 -1.51 115.11 112.89 2jmh h GLN 70 Ca -0.05 -0.07 -0.04 0.00 -0.00 0.00 0.00 58.65 58.49 2jmh h GLN 70 Cb 0.53 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.48 27.73 2jmh h GLN 70 CO 0.08 0.79 -0.01 0.78 -0.00 0.00 0.00 178.83 180.47 2jmh h GLY 71 N 1.23 0.45 0.94 0.06 0.00 -1.16 -0.22 103.07 104.37 2jmh h GLY 71 Ca 0.38 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 2jmh h GLY 71 CO -0.11 0.31 -0.32 0.00 0.00 0.00 0.00 176.54 176.42 2jmh h ALA 72 N 0.79 -0.85 -0.53 3.60 0.00 -0.84 -1.37 119.26 120.06 2jmh h ALA 72 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jmh h ALA 72 Cb 0.42 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2jmh h ALA 72 CO 0.01 -0.98 0.33 1.37 0.00 0.00 0.00 179.25 179.98 2jmh h LEU 73 N -0.85 0.62 0.01 0.00 8.10 -1.34 -0.82 115.31 121.04 2jmh h LEU 73 Ca -0.08 -0.03 -0.00 0.00 0.11 0.00 0.00 57.88 57.89 2jmh h LEU 73 Cb 0.67 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.73 2jmh h LEU 73 CO 0.11 0.47 -0.00 -0.33 -4.11 0.00 0.00 178.44 174.58 2jmh h GLU 74 N 0.73 -0.01 -0.11 0.17 4.39 -0.72 0.26 114.58 119.29 2jmh h GLU 74 Ca 0.19 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.80 2jmh h GLU 74 Cb -0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2jmh h GLU 74 CO -0.04 0.01 -0.37 0.00 -1.16 0.00 0.00 179.01 177.46 2jmh h ARG 75 N -0.03 0.23 -0.02 2.33 2.47 -0.89 0.12 114.38 118.58 2jmh h ARG 75 Ca -0.00 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 2jmh h ARG 75 Cb 0.03 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2jmh h ARG 75 CO 0.00 0.57 -0.02 1.49 0.56 0.00 0.00 179.97 182.56 2jmh h GLU 76 N 0.19 0.05 0.00 0.04 4.57 -0.79 -3.18 114.58 115.46 2jmh h GLU 76 Ca 0.02 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 2jmh h GLU 76 Cb 0.74 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2jmh h GLU 76 CO 0.06 0.55 -0.37 1.37 -1.18 0.00 0.00 179.01 179.44 2jmh h LEU 77 N -0.45 0.00 -0.98 1.64 8.10 -0.46 -2.78 115.31 120.38 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 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 2jmh h LEU 77 CO 0.01 0.37 0.00 0.29 -4.11 0.00 0.00 178.44 174.99 2jmh n LYS 78 N -3.50 0.16 0.13 0.17 4.76 0.40 -1.40 118.16 118.88 2jmh n LYS 78 Ca -0.00 0.52 0.06 0.00 -2.87 0.00 0.00 58.31 56.01 2jmh n LYS 78 Cb 0.51 -1.89 0.04 0.00 -1.84 0.00 0.00 35.03 31.85 2jmh n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jmh h ARG 79 N 0.00 0.00 -6.60 1.97 2.47 -1.50 -3.47 114.38 107.26 2jmh h ARG 79 Ca 0.00 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.36 2jmh h ARG 79 Cb 0.19 0.00 0.19 0.00 -1.65 0.00 0.00 29.97 28.70 2jmh h ARG 79 CO 0.00 0.27 -0.47 0.25 0.56 0.00 0.00 179.97 180.58 2jmh n THR 80 N -3.05 0.00 -1.87 2.04 -2.24 -0.49 -5.03 114.28 103.64 2jmh n THR 80 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2jmh n THR 80 Cb 0.68 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 -3.00 0.00 -4.93 3.42 8.00 -1.26 -5.10 116.55 113.68 2jmh n ASP 81 Ca 0.05 -0.95 -0.26 0.00 0.71 0.00 0.00 54.79 54.34 2jmh n ASP 81 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 2jmh n ASP 81 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2jmh s LEU 82 N 0.00 4.19 0.00 0.64 0.05 -1.26 -4.95 118.68 117.35 2jmh s LEU 82 Ca 0.00 0.41 0.00 0.00 0.05 0.00 0.00 54.13 54.59 2jmh s LEU 82 Cb 0.00 -3.20 0.00 0.00 -2.05 0.00 0.00 46.19 40.94 2jmh s LEU 82 CO 0.00 -0.09 0.00 0.59 -0.55 0.00 0.00 176.35 176.30 2jmh n ASN 83 N -0.90 0.00 0.38 1.48 5.03 -1.26 -4.99 115.26 115.00 2jmh n ASN 83 Ca -0.05 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.23 2jmh n ASN 83 Cb 0.54 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.22 2jmh n ASN 83 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 2jmh h ILE 84 N 0.01 0.27 -0.15 2.41 2.04 -1.99 0.27 117.51 120.37 2jmh h ILE 84 Ca 0.00 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2jmh h ILE 84 Cb 0.00 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2jmh h ILE 84 CO 0.00 0.01 0.08 0.25 0.00 0.00 0.00 178.15 178.49 2jmh h LEU 85 N -1.02 0.19 -0.65 1.44 5.85 -1.99 -1.46 115.31 117.67 2jmh h LEU 85 Ca -0.10 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.57 2jmh h LEU 85 Cb 0.74 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 2jmh h LEU 85 CO 0.16 0.23 0.39 -0.33 -0.34 0.00 0.00 178.44 178.54 2jmh h GLU 86 N 0.14 0.72 -0.46 1.25 5.08 -1.94 -1.31 114.58 118.06 2jmh h GLU 86 Ca 0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2jmh h GLU 86 Cb 0.08 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2jmh h GLU 86 CO -0.01 0.48 0.27 -0.09 -1.00 0.00 0.00 179.01 178.66 2jmh h ARG 87 N 0.75 0.63 0.56 2.33 2.43 -0.24 0.24 114.38 121.07 2jmh h ARG 87 Ca 0.27 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2jmh h ARG 87 Cb 0.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2jmh h ARG 87 CO -0.13 0.48 -0.29 0.35 -1.51 0.00 0.00 179.97 178.86 2jmh h PHE 88 N 0.60 -0.77 -0.89 2.20 3.57 -0.78 0.28 116.94 121.16 2jmh h PHE 88 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2jmh h PHE 88 Cb 0.02 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 2jmh h PHE 88 CO -0.03 -0.47 0.53 -0.91 -2.23 0.00 0.00 178.31 175.20 2jmh h ASN 89 N -0.79 1.08 -0.38 0.41 -0.26 -1.18 -1.69 115.58 112.77 2jmh h ASN 89 Ca -0.07 -0.07 -0.04 0.00 -0.56 0.00 0.00 56.30 55.55 2jmh h ASN 89 Cb 0.62 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 2jmh h ASN 89 CO 0.11 0.84 0.08 1.88 -1.06 0.00 0.00 177.43 179.27 2jmh h TYR 90 N 1.24 0.65 0.46 1.19 -1.99 -0.30 0.92 116.97 119.14 2jmh h TYR 90 Ca 0.32 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.94 2jmh h TYR 90 Cb -0.03 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.52 2jmh h TYR 90 CO 0.01 0.65 -0.22 1.49 -0.00 0.00 0.00 178.16 180.08 2jmh h GLU 91 N 0.47 -0.59 -0.07 4.88 4.81 -0.10 -1.04 114.58 122.94 2jmh h GLU 91 Ca 0.12 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2jmh h GLU 91 Cb 0.33 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2jmh h GLU 91 CO 0.00 -0.39 0.04 1.49 -0.73 0.00 0.00 179.01 179.43 2jmh h GLU 92 N -0.63 0.09 -0.50 1.92 4.81 -1.31 -0.43 114.58 118.54 2jmh h GLU 92 Ca -0.06 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 2jmh h GLU 92 Cb 0.48 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.75 2jmh h GLU 92 CO 0.10 0.10 -0.02 0.00 -0.73 0.00 0.00 179.01 178.46 2jmh h ALA 93 N 0.99 0.45 -0.32 2.92 0.00 -0.75 -0.27 119.26 122.27 2jmh h ALA 93 Ca 0.03 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2jmh h ALA 93 Cb 0.03 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2jmh h ALA 93 CO -0.00 -0.40 -0.16 1.96 0.00 0.00 0.00 179.25 180.64 2jmh h GLN 94 N 0.09 0.58 0.17 0.00 4.20 -0.99 -1.37 115.11 117.79 2jmh h GLN 94 Ca 0.25 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2jmh h GLN 94 Cb 0.38 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2jmh h GLN 94 CO -0.43 0.72 -0.12 1.15 -0.67 0.00 0.00 178.83 179.49 2jmh h THR 95 N 0.53 0.75 -0.36 -0.54 2.02 0.59 0.23 112.91 116.13 2jmh h THR 95 Ca 0.09 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 2jmh h THR 95 Cb 0.59 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2jmh h THR 95 CO 0.04 0.00 -0.06 -0.07 0.37 0.00 0.00 175.52 175.80 2jmh h LEU 96 N -0.28 0.67 -0.46 2.58 3.38 -1.18 -1.73 115.31 118.29 2jmh h LEU 96 Ca -0.01 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.62 2jmh h LEU 96 Cb 0.25 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2jmh h LEU 96 CO 0.00 0.86 0.29 -1.28 0.09 0.00 0.00 178.44 178.41 2jmh h SER 97 N 0.47 0.49 0.06 -0.43 0.87 -1.11 0.10 113.55 114.00 2jmh h SER 97 Ca 0.09 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2jmh h SER 97 Cb 0.55 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2jmh h SER 97 CO 0.03 0.36 -0.03 0.11 -0.53 0.00 0.00 176.83 176.77 2jmh h LYS 98 N 0.59 -0.07 -0.25 2.24 1.57 -0.48 -1.14 116.57 119.03 2jmh h LYS 98 Ca 0.17 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2jmh h LYS 98 Cb -0.04 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2jmh h LYS 98 CO -0.05 0.09 0.11 0.82 -0.57 0.00 0.00 179.45 179.85 2jmh h ILE 99 N -0.22 0.97 -0.36 1.86 2.04 -1.13 -1.45 117.51 119.21 2jmh h ILE 99 Ca -0.01 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.81 2jmh h ILE 99 Cb 0.20 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2jmh h ILE 99 CO 0.01 0.04 0.14 0.25 0.00 0.00 0.00 178.15 178.60 2jmh h LEU 100 N 0.24 0.18 -0.24 1.44 5.85 -0.73 -1.53 115.31 120.52 2jmh h LEU 100 Ca 0.11 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2jmh h LEU 100 Cb 0.05 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2jmh h LEU 100 CO -0.09 0.14 0.03 -0.07 -0.34 0.00 0.00 178.44 178.11 2jmh h LEU 101 N 0.30 -0.02 -0.28 2.25 -0.00 -0.88 -0.63 115.31 116.06 2jmh h LEU 101 Ca 0.16 0.04 0.05 0.00 -0.00 0.00 0.00 57.88 58.13 2jmh h LEU 101 Cb 0.11 0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 40.79 2jmh h LEU 101 CO -0.15 0.02 -0.01 0.11 -0.00 0.00 0.00 178.44 178.42 2jmh h LYS 102 N 0.12 0.07 -0.54 1.13 1.57 -0.89 -1.23 116.57 116.80 2jmh h LYS 102 Ca 0.11 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2jmh h LYS 102 Cb 0.12 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2jmh h LYS 102 CO -0.15 0.05 0.31 -0.44 -0.57 0.00 0.00 179.45 178.64 2jmh h ASP 103 N 0.07 0.49 -0.35 0.86 5.19 -0.91 -1.37 116.42 120.41 2jmh h ASP 103 Ca 0.13 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.59 2jmh h ASP 103 Cb 0.18 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.56 2jmh h ASP 103 CO -0.23 0.35 0.12 -0.07 -3.12 0.00 0.00 179.24 176.28 2jmh h LEU 104 N 0.61 0.12 -0.17 1.55 3.38 -0.52 -1.20 115.31 119.08 2jmh h LEU 104 Ca 0.22 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2jmh h LEU 104 Cb 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2jmh h LEU 104 CO -0.11 0.10 0.11 0.11 0.09 0.00 0.00 178.44 178.74 2jmh h LYS 105 N 0.26 0.21 -0.54 1.13 6.56 -0.86 -1.12 116.57 122.22 2jmh h LYS 105 Ca 0.16 -0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.81 2jmh h LYS 105 Cb 0.13 -0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 31.69 2jmh h LYS 105 CO -0.17 0.14 0.20 1.49 -2.06 0.00 0.00 179.45 179.06 2jmh h GLU 106 N 0.22 0.37 -0.22 3.15 4.81 -0.88 -1.28 114.58 120.75 2jmh h GLU 106 Ca 0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2jmh h GLU 106 Cb -0.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2jmh h GLU 106 CO -0.02 0.25 0.11 1.79 -0.73 0.00 0.00 179.01 180.41 2jmh h THR 107 N 0.38 1.13 -0.68 0.32 1.35 -0.93 -0.83 112.91 113.65 2jmh h THR 107 Ca 0.26 -0.35 0.09 0.00 -0.55 0.00 0.00 66.41 65.86 2jmh h THR 107 Cb 0.29 0.96 -0.07 0.00 -1.73 0.00 0.00 68.15 67.60 2jmh h THR 107 CO -0.26 0.12 0.33 -0.33 -0.25 0.00 0.00 175.52 175.13 2jmh h GLU 108 N 0.23 0.55 -0.40 4.72 4.39 -0.65 0.17 114.58 123.59 2jmh h GLU 108 Ca 0.08 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 2jmh h GLU 108 Cb 0.09 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2jmh h GLU 108 CO -0.01 0.37 -0.03 0.37 -1.16 0.00 0.00 179.01 178.55 2jmh h GLN 109 N 0.57 0.73 0.10 2.33 -0.00 -1.02 0.12 115.11 117.94 2jmh h GLN 109 Ca 0.33 -0.25 -0.00 0.00 -0.00 0.00 0.00 58.65 58.73 2jmh h GLN 109 Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.76 2jmh h GLN 109 CO -0.26 0.83 -0.05 0.87 0.00 0.00 0.00 178.83 180.22 2jmh h LYS 110 N 0.55 -0.12 -0.03 1.69 6.56 -0.39 0.23 116.57 125.06 2jmh h LYS 110 Ca 0.11 0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.65 2jmh h LYS 110 Cb 0.52 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 2jmh h LYS 110 CO 0.03 0.00 -0.27 -0.24 -2.06 0.00 0.00 179.45 176.91 2jmh h VAL 111 N -0.23 1.21 0.00 0.50 3.04 -0.69 -1.82 116.25 118.26 2jmh h VAL 111 Ca -0.01 -0.98 -0.16 0.00 -1.01 0.00 0.00 66.70 64.54 2jmh h VAL 111 Cb 0.19 1.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.93 2jmh h VAL 111 CO 0.02 0.28 -0.75 0.11 -1.01 0.00 0.00 177.57 176.22 2jmh h LYS 112 N 0.05 0.00 -0.04 4.17 1.57 -0.64 -3.29 116.57 118.38 2jmh h LYS 112 Ca 0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 2jmh h LYS 112 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.82 2jmh h LYS 112 CO 0.04 0.75 -0.52 0.22 -0.57 0.00 0.00 179.45 179.37 2jmh h ASP 113 N 0.00 0.52 -1.86 0.86 3.58 -0.04 -3.44 116.42 116.05 2jmh h ASP 113 Ca -0.01 -0.71 -0.61 0.00 0.42 0.00 0.00 57.03 56.12 2jmh h ASP 113 Cb 1.45 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 42.35 2jmh h ASP 113 CO 0.10 1.16 1.28 -0.38 -2.88 0.00 0.00 179.24 178.52 2jmh n ILE 114 N -4.26 0.47 -2.85 2.25 -0.00 -0.73 -4.93 119.36 109.30 2jmh n ILE 114 Ca -0.09 -0.23 -0.40 0.00 -0.00 0.00 0.00 62.75 62.02 2jmh n ILE 114 Cb 0.62 -2.06 -0.05 0.00 -0.00 0.00 0.00 39.64 38.15 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 5.15 4.63 0.14 0.38 -2.07 -1.26 -4.98 119.66 121.65 2jmh s GLN 115 Ca 0.98 1.29 -0.00 0.00 -1.82 0.00 0.00 55.36 55.81 2jmh s GLN 115 Cb -0.61 -3.35 -0.04 0.00 -1.09 0.00 0.00 33.01 27.92 2jmh s GLN 115 CO 0.46 0.31 0.04 0.95 -1.32 0.00 0.00 175.29 175.73 2jmh s THR 116 N -0.26 0.26 -2.00 3.63 -4.23 -1.26 -4.91 115.64 106.87 2jmh s THR 116 Ca 0.42 -1.93 0.31 0.00 -1.18 0.00 0.00 61.69 59.31 2jmh s THR 116 Cb -0.23 -2.06 0.87 0.00 1.34 0.00 0.00 72.50 72.43 2jmh s THR 116 CO 0.27 -0.47 2.16 0.00 -0.54 0.00 0.00 174.62 176.04