#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 4.24 -0.74 3.69 2.02 -1.26 -4.96 118.70 121.69 2jmh s GLU 2 Ca 0.00 1.91 0.04 0.00 0.02 0.00 0.00 54.97 56.94 2jmh s GLU 2 Cb 0.00 -3.76 0.19 0.00 0.10 0.00 0.00 34.13 30.67 2jmh s GLU 2 CO 0.00 -0.69 0.61 1.58 0.02 0.00 0.00 175.26 176.77 2jmh n HIS 3 N 6.30 3.49 -4.45 1.61 -0.00 -1.26 -5.07 115.22 115.84 2jmh n HIS 3 Ca 0.14 -4.23 -0.25 0.00 0.46 0.00 0.00 57.72 53.84 2jmh n HIS 3 Cb 0.44 -0.72 -0.11 0.00 -0.12 0.00 0.00 29.99 29.48 2jmh n HIS 3 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 2jmh s LYS 4 N -1.65 1.61 0.94 1.57 -2.85 -1.26 -5.14 119.74 112.96 2jmh s LYS 4 Ca 0.28 -1.67 -0.12 0.00 -1.00 0.00 0.00 55.97 53.46 2jmh s LYS 4 Cb -0.01 -1.79 0.15 0.00 -2.06 0.00 0.00 37.83 34.12 2jmh s LYS 4 CO -0.13 0.36 1.09 -1.25 0.10 0.00 0.00 175.35 175.52 2jmh s PRO 5 N -3.17 0.90 -0.26 1.78 0.04 -1.26 -5.03 135.00 128.00 2jmh s PRO 5 Ca 0.26 0.69 -0.07 0.00 0.04 0.00 0.00 61.00 61.92 2jmh s PRO 5 Cb -0.06 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 2jmh s PRO 5 CO 0.13 -2.45 0.06 0.15 0.04 0.00 0.00 177.00 174.93 2jmh s LYS 6 N -4.95 3.50 0.60 4.56 3.01 -1.26 -5.08 119.74 120.11 2jmh s LYS 6 Ca 0.64 -0.58 -0.20 0.00 -1.01 0.00 0.00 55.97 54.82 2jmh s LYS 6 Cb -0.18 -3.31 -0.03 0.00 -1.01 0.00 0.00 37.83 33.29 2jmh s LYS 6 CO 0.57 -0.25 1.33 0.21 0.51 0.00 0.00 175.35 177.73 2jmh s LYS 7 N 1.58 2.85 0.34 1.68 2.47 -1.26 -4.95 119.74 122.45 2jmh s LYS 7 Ca 0.06 2.17 -0.27 0.00 -1.56 0.00 0.00 55.97 56.36 2jmh s LYS 7 Cb -0.15 -2.06 -0.09 0.00 -1.46 0.00 0.00 37.83 34.06 2jmh s LYS 7 CO 0.03 -1.40 1.16 -0.51 0.16 0.00 0.00 175.35 174.78 2jmh s ASP 8 N -1.15 6.86 -0.44 1.43 1.01 -1.26 -4.94 116.67 118.18 2jmh s ASP 8 Ca 0.77 2.35 0.04 0.00 0.71 0.00 0.00 52.55 56.42 2jmh s ASP 8 Cb -0.39 -2.62 0.60 0.00 1.01 0.00 0.00 42.92 41.52 2jmh s ASP 8 CO 0.44 -0.44 1.83 0.47 0.21 0.00 0.00 175.17 177.68 2jmh n ASP 9 N 0.59 4.04 -4.07 0.27 9.92 -1.26 -4.86 116.55 121.18 2jmh n ASP 9 Ca 0.02 -3.68 -0.40 0.00 -0.53 0.00 0.00 54.79 50.20 2jmh n ASP 9 Cb 0.45 -0.81 -0.03 0.00 -0.64 0.00 0.00 41.12 40.10 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 -1.11 3.18 -4.42 1.24 3.01 -1.26 -4.86 117.46 113.25 2jmh n PHE 10 Ca 0.55 -2.32 -0.23 0.00 1.01 0.00 0.00 57.45 56.45 2jmh n PHE 10 Cb 1.40 -2.35 -0.08 0.00 -0.01 0.00 0.00 39.48 38.44 2jmh n PHE 10 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2jmh s ARG 11 N 4.58 1.88 0.26 -1.08 0.52 -1.26 -5.17 118.95 118.68 2jmh s ARG 11 Ca 0.56 -2.13 0.09 0.00 -0.52 0.00 0.00 55.73 53.72 2jmh s ARG 11 Cb 0.09 -0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.33 2jmh s ARG 11 CO 0.05 -0.58 0.04 1.21 0.02 0.00 0.00 175.30 176.05 2jmh s ASN 12 N -3.52 4.77 -0.09 0.23 3.84 -1.26 -5.13 114.94 113.78 2jmh s ASN 12 Ca 0.30 -0.56 0.01 0.00 0.21 0.00 0.00 52.86 52.83 2jmh s ASN 12 Cb 0.02 -0.97 0.02 0.00 -0.55 0.00 0.00 41.25 39.76 2jmh s ASN 12 CO 0.20 -0.01 -0.12 -1.83 -2.79 0.00 0.00 177.10 172.55 2jmh s GLU 13 N -3.71 1.82 -0.02 0.43 4.04 -1.26 -4.99 118.70 115.01 2jmh s GLU 13 Ca 0.32 -0.42 0.04 0.00 0.04 0.00 0.00 54.97 54.95 2jmh s GLU 13 Cb -0.07 -1.59 -0.07 0.00 0.02 0.00 0.00 34.13 32.42 2jmh s GLU 13 CO 0.21 -0.07 0.07 1.97 -1.84 0.00 0.00 175.26 175.61 2jmh n PHE 14 N 4.18 0.00 -0.17 4.83 1.16 -1.26 -4.61 117.46 121.60 2jmh n PHE 14 Ca -0.19 0.00 0.24 0.00 -1.87 0.00 0.00 57.45 55.63 2jmh n PHE 14 Cb 0.51 -0.14 0.65 0.00 -1.61 0.00 0.00 39.48 38.89 2jmh n PHE 14 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 2jmh h ASP 15 N 0.00 0.13 -5.85 5.98 3.32 -2.08 -3.45 116.42 114.46 2jmh h ASP 15 Ca -0.04 0.01 -0.36 0.00 0.02 0.00 0.00 57.03 56.66 2jmh h ASP 15 Cb 0.58 -0.01 0.12 0.00 0.22 0.00 0.00 39.33 40.24 2jmh h ASP 15 CO 0.00 0.05 -0.84 1.41 -1.72 0.00 0.00 179.24 178.15 2jmh n HIS 16 N -4.36 -2.11 -3.48 4.55 8.25 -1.26 -4.95 115.22 111.87 2jmh n HIS 16 Ca 0.17 0.81 -0.43 0.00 -0.26 0.00 0.00 57.72 58.01 2jmh n HIS 16 Cb 0.81 -4.36 -0.05 0.00 1.12 0.00 0.00 29.99 27.51 2jmh n HIS 16 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2jmh s LEU 17 N -6.27 6.16 0.05 2.41 1.98 -1.26 -4.94 118.68 116.81 2jmh s LEU 17 Ca 0.17 -2.69 -0.33 0.00 -2.89 0.00 0.00 54.13 48.39 2jmh s LEU 17 Cb -0.04 -2.08 -0.18 0.00 0.66 0.00 0.00 46.19 44.55 2jmh s LEU 17 CO 0.78 -0.51 1.43 0.17 -1.89 0.00 0.00 176.35 176.32 2jmh h LEU 18 N 7.57 -1.01 -0.25 -0.68 -0.00 -1.96 -1.07 115.31 117.91 2jmh h LEU 18 Ca 0.04 0.03 0.05 0.00 -0.00 0.00 0.00 57.88 58.00 2jmh h LEU 18 Cb 1.01 0.26 -0.08 0.00 -0.00 0.00 0.00 40.66 41.86 2jmh h LEU 18 CO 0.75 -0.69 -0.46 0.40 -0.00 0.00 0.00 178.44 178.44 2jmh h ILE 19 N -1.26 0.09 -0.65 0.15 1.08 -1.95 0.29 117.51 115.27 2jmh h ILE 19 Ca -0.12 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.48 2jmh h ILE 19 Cb 0.91 0.09 -0.10 0.00 -3.07 0.00 0.00 36.82 34.65 2jmh h ILE 19 CO 0.20 0.00 0.11 -0.08 -0.69 0.00 0.00 178.15 177.69 2jmh h GLU 20 N -0.45 0.22 -0.45 2.37 4.81 -1.98 0.13 114.58 119.23 2jmh h GLU 20 Ca 0.09 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2jmh h GLU 20 Cb 0.62 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2jmh h GLU 20 CO -0.49 0.15 0.09 0.37 -0.73 0.00 0.00 179.01 178.40 2jmh h GLN 21 N 0.23 0.68 -0.17 1.92 -0.00 0.13 -1.66 115.11 116.24 2jmh h GLN 21 Ca 0.35 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.65 58.85 2jmh h GLN 21 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.92 2jmh h GLN 21 CO -0.47 0.63 0.04 0.00 0.00 0.00 0.00 178.83 179.03 2jmh h ALA 22 N 1.44 0.22 -0.74 3.38 0.00 0.21 -1.05 119.26 122.72 2jmh h ALA 22 Ca 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2jmh h ALA 22 Cb 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2jmh h ALA 22 CO -0.00 -0.13 0.30 -0.91 0.00 0.00 0.00 179.25 178.51 2jmh h ASN 23 N 0.08 1.03 -0.61 0.00 2.35 -0.93 -1.56 115.58 115.94 2jmh h ASN 23 Ca 0.05 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 2jmh h ASN 23 Cb 0.27 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2jmh h ASN 23 CO 0.00 0.92 0.19 0.45 -1.65 0.00 0.00 177.43 177.34 2jmh h HIS 24 N 1.07 0.98 0.14 1.19 3.86 -1.20 0.26 115.15 121.45 2jmh h HIS 24 Ca 0.25 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 2jmh h HIS 24 Cb 0.21 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.40 2jmh h HIS 24 CO 0.02 0.81 -0.07 0.00 0.86 0.00 0.00 177.93 179.55 2jmh h ALA 25 N 1.06 -0.19 -0.15 2.45 0.00 -0.92 -1.38 119.26 120.12 2jmh h ALA 25 Ca 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jmh h ALA 25 Cb 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jmh h ALA 25 CO -0.01 -0.52 -0.08 -0.84 0.00 0.00 0.00 179.25 177.81 2jmh h ILE 26 N -0.37 1.15 -0.13 0.00 3.07 -1.23 -1.70 117.51 118.30 2jmh h ILE 26 Ca -0.02 -0.64 -0.03 0.00 1.55 0.00 0.00 64.86 65.72 2jmh h ILE 26 Cb 0.30 1.13 -0.00 0.00 -0.27 0.00 0.00 36.82 37.97 2jmh h ILE 26 CO 0.03 0.20 -0.03 -0.08 -1.05 0.00 0.00 178.15 177.23 2jmh h GLU 27 N 0.22 0.24 -0.10 0.16 4.57 -0.73 0.26 114.58 119.20 2jmh h GLU 27 Ca 0.05 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2jmh h GLU 27 Cb 0.29 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2jmh h GLU 27 CO 0.01 0.54 0.04 -0.22 -1.18 0.00 0.00 179.01 178.20 2jmh h LYS 28 N -0.07 0.15 -0.43 1.92 1.63 -1.02 -0.64 116.57 118.12 2jmh h LYS 28 Ca 0.03 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 2jmh h LYS 28 Cb 0.45 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 2jmh h LYS 28 CO 0.01 0.26 0.00 0.78 -3.45 0.00 0.00 179.45 177.05 2jmh h GLY 29 N 0.01 0.75 1.26 5.01 0.00 -1.34 -1.47 103.07 107.28 2jmh h GLY 29 Ca 0.03 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.75 2jmh h GLY 29 CO -0.00 0.44 -0.35 0.83 0.00 0.00 0.00 176.54 177.45 2jmh h GLU 30 N 0.65 0.82 0.21 4.80 5.08 -0.77 -0.47 114.58 124.90 2jmh h GLU 30 Ca 0.13 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2jmh h GLU 30 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2jmh h GLU 30 CO 0.02 1.04 -0.10 1.25 -1.00 0.00 0.00 179.01 180.22 2jmh h HIS 31 N 0.68 -0.26 -0.43 4.33 2.76 -0.87 -1.00 115.15 120.37 2jmh h HIS 31 Ca 0.06 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 2jmh h HIS 31 Cb 0.91 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.94 2jmh h HIS 31 CO 0.05 0.11 0.14 -0.56 -1.30 0.00 0.00 177.93 176.37 2jmh h GLN 32 N -0.68 0.62 -0.10 5.26 -0.00 -1.32 -1.56 115.11 117.33 2jmh h GLN 32 Ca -0.03 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.65 58.51 2jmh h GLN 32 Cb 0.48 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.48 27.85 2jmh h GLN 32 CO 0.05 0.54 -0.03 1.25 -0.00 0.00 0.00 178.83 180.64 2jmh h LEU 33 N 0.61 0.19 -0.66 0.06 7.12 -1.05 0.23 115.31 121.81 2jmh h LEU 33 Ca 0.15 -0.38 0.00 0.00 0.13 0.00 0.00 57.88 57.78 2jmh h LEU 33 Cb 0.17 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.22 2jmh h LEU 33 CO -0.01 0.53 0.42 -0.07 -0.13 0.00 0.00 178.44 179.18 2jmh h LEU 34 N -0.14 0.77 -0.46 2.25 3.38 -0.94 0.57 115.31 120.74 2jmh h LEU 34 Ca 0.02 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2jmh h LEU 34 Cb 0.44 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2jmh h LEU 34 CO 0.01 0.58 -0.63 0.22 0.09 0.00 0.00 178.44 178.72 2jmh h TYR 35 N 0.90 0.67 0.00 1.13 3.20 -1.27 -3.06 116.97 118.54 2jmh h TYR 35 Ca 0.24 -0.26 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 2jmh h TYR 35 Cb -0.07 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2jmh h TYR 35 CO -0.02 1.01 -0.44 1.25 -1.64 0.00 0.00 178.16 178.32 2jmh h LEU 36 N 0.38 0.00 -1.37 2.82 6.46 -0.13 -2.95 115.31 120.53 2jmh h LEU 36 Ca -0.01 0.00 0.21 0.00 -0.12 0.00 0.00 57.88 57.96 2jmh h LEU 36 Cb 1.19 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 41.04 2jmh h LEU 36 CO 0.11 0.44 0.61 -0.61 -0.62 0.00 0.00 178.44 178.38 2jmh h GLN 37 N 0.00 0.49 0.40 1.25 5.75 -0.78 -1.08 115.11 121.14 2jmh h GLN 37 Ca -0.00 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 2jmh h GLN 37 Cb 0.79 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.23 2jmh h GLN 37 CO 0.06 0.32 -0.19 0.45 -2.65 0.00 0.00 178.83 176.82 2jmh h HIS 38 N 0.50 -0.50 -0.99 3.99 3.86 -1.65 -1.02 115.15 119.33 2jmh h HIS 38 Ca 0.51 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.79 2jmh h HIS 38 Cb 1.14 0.17 -0.07 0.00 1.06 0.00 0.00 27.41 29.70 2jmh h HIS 38 CO -0.00 -0.24 0.64 1.96 0.86 0.00 0.00 177.93 181.15 2jmh h GLN 39 N -0.68 1.07 -0.20 2.45 1.08 -1.43 -1.39 115.11 116.01 2jmh h GLN 39 Ca -0.06 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2jmh h GLN 39 Cb 0.49 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2jmh h GLN 39 CO 0.09 0.71 0.09 1.25 -0.95 0.00 0.00 178.83 180.02 2jmh h LEU 40 N 1.11 0.28 -0.61 1.46 5.85 -1.09 0.24 115.31 122.55 2jmh h LEU 40 Ca 0.45 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 59.05 2jmh h LEU 40 Cb 0.27 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2jmh h LEU 40 CO -0.20 0.35 0.37 0.44 -0.34 0.00 0.00 178.44 179.06 2jmh h ASP 41 N 0.18 0.59 -0.06 1.25 5.19 -0.55 0.26 116.42 123.28 2jmh h ASP 41 Ca 0.07 0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.33 2jmh h ASP 41 Cb 0.16 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2jmh h ASP 41 CO -0.01 0.41 -0.49 -0.08 -3.12 0.00 0.00 179.24 175.96 2jmh h GLU 42 N 0.72 0.62 -0.00 3.56 4.57 -1.11 -3.02 114.58 119.92 2jmh h GLU 42 Ca 0.25 -0.36 -0.11 0.00 -1.18 0.00 0.00 59.36 57.96 2jmh h GLU 42 Cb 0.04 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2jmh h GLU 42 CO -0.11 0.97 -0.52 1.25 -1.18 0.00 0.00 179.01 179.41 2jmh h LEU 43 N 0.49 0.01 -0.62 1.64 7.12 0.03 -0.05 115.31 123.94 2jmh h LEU 43 Ca 0.02 -0.01 0.11 0.00 0.13 0.00 0.00 57.88 58.13 2jmh h LEU 43 Cb 1.03 -0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 41.07 2jmh h LEU 43 CO 0.10 0.53 0.20 0.78 -0.13 0.00 0.00 178.44 179.92 2jmh h ASN 44 N 0.01 0.15 0.03 1.25 2.35 -0.37 0.32 115.58 119.32 2jmh h ASN 44 Ca -0.00 0.09 -0.27 0.00 -0.55 0.00 0.00 56.30 55.57 2jmh h ASN 44 Cb 0.93 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.37 2jmh h ASN 44 CO 0.07 0.08 -1.48 -0.62 -1.65 0.00 0.00 177.43 173.83 2jmh n GLU 45 N -5.05 0.61 -0.27 0.81 1.02 -1.19 -4.19 120.64 112.39 2jmh n GLU 45 Ca 0.09 0.49 0.16 0.00 -0.02 0.00 0.00 57.16 57.89 2jmh n GLU 45 Cb 0.30 -1.73 0.44 0.00 -0.02 0.00 0.00 31.44 30.44 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2jmh h ASN 46 N -0.74 0.54 -5.02 1.62 -1.24 -0.95 -3.45 115.58 106.35 2jmh h ASN 46 Ca -0.38 0.05 -0.33 0.00 0.71 0.00 0.00 56.30 56.35 2jmh h ASN 46 Cb 1.49 -0.05 -0.06 0.00 0.73 0.00 0.00 38.32 40.44 2jmh h ASN 46 CO -0.14 0.23 -0.48 0.29 -1.29 0.00 0.00 177.43 176.03 2jmh n LYS 47 N -4.57 -3.17 -2.21 6.67 4.76 0.11 -4.88 118.16 114.87 2jmh n LYS 47 Ca 0.19 0.50 -0.42 0.00 -2.87 0.00 0.00 58.31 55.72 2jmh n LYS 47 Cb 0.62 -5.19 -0.03 0.00 -1.84 0.00 0.00 35.03 28.59 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 -2.54 6.88 0.08 4.39 0.15 -1.26 -4.73 113.70 116.68 2jmh s SER 48 Ca 0.29 2.37 -0.20 0.00 0.70 0.00 0.00 55.95 59.11 2jmh s SER 48 Cb -0.15 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.45 2jmh s SER 48 CO 0.36 -0.56 1.56 0.07 1.20 0.00 0.00 173.24 175.88 2jmh h LYS 49 N 5.74 0.30 -0.27 5.44 2.10 -1.92 0.13 116.57 128.09 2jmh h LYS 49 Ca -0.44 -0.07 -0.06 0.00 -2.00 0.00 0.00 60.65 58.07 2jmh h LYS 49 Cb 1.21 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2jmh h LYS 49 CO 0.79 0.44 -0.08 1.05 -2.00 0.00 0.00 179.45 179.65 2jmh h GLU 50 N 0.11 0.53 -0.62 0.07 4.11 -1.95 -1.41 114.58 115.43 2jmh h GLU 50 Ca 0.06 -0.21 -0.02 0.00 0.07 0.00 0.00 59.36 59.26 2jmh h GLU 50 Cb 0.27 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2jmh h GLU 50 CO 0.00 0.75 0.30 1.25 0.07 0.00 0.00 179.01 181.38 2jmh h LEU 51 N 0.28 0.78 0.02 3.06 5.85 -1.95 0.10 115.31 123.45 2jmh h LEU 51 Ca 0.07 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jmh h LEU 51 Cb 0.57 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2jmh h LEU 51 CO 0.03 0.66 -0.01 -0.61 -0.34 0.00 0.00 178.44 178.17 2jmh h GLN 52 N 0.87 -0.02 0.00 1.25 -0.00 -0.85 -0.90 115.11 115.45 2jmh h GLN 52 Ca 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.84 2jmh h GLN 52 Cb 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.57 2jmh h GLN 52 CO -0.03 0.46 -0.12 0.93 0.00 0.00 0.00 178.83 180.07 2jmh h GLU 53 N -0.52 0.00 0.03 1.69 5.08 -1.09 -0.86 114.58 118.91 2jmh h GLU 53 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jmh h GLU 53 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jmh h GLU 53 CO 0.00 0.12 -0.01 0.87 -1.00 0.00 0.00 179.01 178.99 2jmh h LYS 54 N 0.00 -0.04 0.24 2.33 1.79 -0.91 -2.77 116.57 117.20 2jmh h LYS 54 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2jmh h LYS 54 Cb 0.21 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2jmh h LYS 54 CO 0.02 0.64 -0.14 0.82 -1.08 0.00 0.00 179.45 179.70 2jmh h ILE 55 N -0.78 0.69 -0.88 1.86 2.04 -0.97 -1.31 117.51 118.17 2jmh h ILE 55 Ca -0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 2jmh h ILE 55 Cb 0.69 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 2jmh h ILE 55 CO 0.01 0.00 0.57 -0.29 0.00 0.00 0.00 178.15 178.43 2jmh h ILE 56 N -0.37 0.86 0.23 -0.67 2.10 -1.29 0.25 117.51 118.62 2jmh h ILE 56 Ca -0.02 -0.24 -0.01 0.00 1.08 0.00 0.00 64.86 65.66 2jmh h ILE 56 Cb 0.31 0.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.12 2jmh h ILE 56 CO 0.02 0.13 -0.11 0.03 -1.08 0.00 0.00 178.15 177.14 2jmh h ARG 57 N 0.71 -0.30 -0.60 2.19 -0.00 -1.14 0.64 114.38 115.87 2jmh h ARG 57 Ca 0.44 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.92 2jmh h ARG 57 Cb 0.67 0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.68 2jmh h ARG 57 CO -0.20 -0.00 0.32 0.93 0.00 0.00 0.00 179.97 181.02 2jmh h GLU 58 N -0.61 0.85 -0.25 0.04 5.08 -0.65 -1.56 114.58 117.48 2jmh h GLU 58 Ca -0.03 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 2jmh h GLU 58 Cb 0.44 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2jmh h GLU 58 CO 0.05 0.66 -0.15 1.25 -1.00 0.00 0.00 179.01 179.82 2jmh h LEU 59 N 0.82 0.42 0.27 1.33 6.46 -0.53 -0.98 115.31 123.11 2jmh h LEU 59 Ca 0.21 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2jmh h LEU 59 Cb 0.07 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2jmh h LEU 59 CO -0.03 0.60 -0.13 -0.78 -0.62 0.00 0.00 178.44 177.48 2jmh h ASP 60 N 0.40 -0.31 -0.88 1.25 3.58 -0.38 0.10 116.42 120.19 2jmh h ASP 60 Ca 0.07 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 2jmh h ASP 60 Cb 0.51 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.59 2jmh h ASP 60 CO 0.03 0.06 0.53 -0.37 -2.88 0.00 0.00 179.24 176.61 2jmh h VAL 61 N -0.71 1.24 0.45 2.25 -1.51 -1.25 0.40 116.25 117.12 2jmh h VAL 61 Ca -0.04 -0.53 -0.02 0.00 -1.23 0.00 0.00 66.70 64.88 2jmh h VAL 61 Cb 0.49 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.66 2jmh h VAL 61 CO 0.06 0.25 -0.22 0.58 -1.23 0.00 0.00 177.57 177.02 2jmh h VAL 62 N 1.21 0.41 -0.13 7.19 2.07 -1.18 -1.69 116.25 124.13 2jmh h VAL 62 Ca 0.31 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.38 2jmh h VAL 62 Cb -0.05 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2jmh h VAL 62 CO -0.06 0.07 0.12 0.00 0.02 0.00 0.00 177.57 177.71 2jmh h ALA 64 N 1.89 -0.49 -0.86 0.00 0.00 -0.79 -0.55 119.26 118.46 2jmh h ALA 64 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jmh h ALA 64 Cb 0.29 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2jmh h ALA 64 CO -0.00 -0.48 0.52 0.00 0.00 0.00 0.00 179.25 179.28 2jmh h MET 65 N -1.06 1.17 -0.25 0.00 -0.00 -1.03 -1.43 114.93 112.32 2jmh h MET 65 Ca -0.05 -0.11 -0.05 0.00 -0.00 0.00 0.00 59.70 59.49 2jmh h MET 65 Cb 0.46 -0.25 -0.01 0.00 -0.00 0.00 0.00 31.60 31.81 2jmh h MET 65 CO 0.08 0.82 -0.04 0.82 -0.00 0.00 0.00 176.91 178.59 2jmh h ILE 66 N 1.19 1.27 -0.39 -0.10 5.03 -0.97 -1.28 117.51 122.26 2jmh h ILE 66 Ca 0.31 -1.01 0.01 0.00 -0.12 0.00 0.00 64.86 64.05 2jmh h ILE 66 Cb -0.05 1.43 -0.02 0.00 -3.03 0.00 0.00 36.82 35.15 2jmh h ILE 66 CO -0.06 0.32 0.25 -0.33 -0.68 0.00 0.00 178.15 177.65 2jmh h GLU 67 N 0.23 0.49 0.22 2.37 5.08 -0.79 0.27 114.58 122.45 2jmh h GLU 67 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2jmh h GLU 67 Cb 0.49 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2jmh h GLU 67 CO 0.02 0.32 -0.11 0.78 -1.00 0.00 0.00 179.01 179.02 2jmh h GLY 68 N 0.50 -0.32 0.96 -3.84 0.00 -1.24 0.24 103.07 99.38 2jmh h GLY 68 Ca 0.15 0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 2jmh h GLY 68 CO -0.05 -0.11 -0.26 0.00 0.00 0.00 0.00 176.54 176.11 2jmh h ALA 69 N 0.19 -0.73 -0.90 3.60 0.00 -1.15 -1.43 119.26 118.83 2jmh h ALA 69 Ca -0.03 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2jmh h ALA 69 Cb 0.39 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2jmh h ALA 69 CO 0.05 -0.89 0.59 0.37 0.00 0.00 0.00 179.25 179.38 2jmh h GLN 70 N -0.79 1.12 0.19 0.00 4.15 -0.53 0.21 115.11 119.46 2jmh h GLN 70 Ca -0.08 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 2jmh h GLN 70 Cb 0.59 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2jmh h GLN 70 CO 0.12 0.74 -0.09 0.78 -1.93 0.00 0.00 178.83 178.45 2jmh h GLY 71 N 1.15 -0.26 1.02 2.39 0.00 -0.33 0.25 103.07 107.29 2jmh h GLY 71 Ca 0.35 0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.65 2jmh h GLY 71 CO -0.10 -0.10 -0.28 0.00 0.00 0.00 0.00 176.54 176.06 2jmh h ALA 72 N 0.52 0.49 -0.81 3.60 0.00 -1.01 -1.31 119.26 120.73 2jmh h ALA 72 Ca -0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2jmh h ALA 72 Cb 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2jmh h ALA 72 CO 0.04 0.51 0.37 1.25 0.00 0.00 0.00 179.25 181.42 2jmh h LEU 73 N 0.57 1.08 0.00 0.00 7.12 -0.52 0.17 115.31 123.72 2jmh h LEU 73 Ca 0.06 -0.15 -0.00 0.00 0.13 0.00 0.00 57.88 57.92 2jmh h LEU 73 Cb 0.86 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 2jmh h LEU 73 CO 0.07 0.93 -0.00 -0.33 -0.13 0.00 0.00 178.44 178.98 2jmh h GLU 74 N 1.16 -0.00 0.00 1.25 4.39 -0.44 -1.25 114.58 119.68 2jmh h GLU 74 Ca 0.28 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.95 2jmh h GLU 74 Cb 0.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2jmh h GLU 74 CO -0.03 0.48 -0.14 -0.09 -1.16 0.00 0.00 179.01 178.06 2jmh h ARG 75 N -0.49 0.00 0.09 2.33 9.65 -1.15 0.19 114.38 125.00 2jmh h ARG 75 Ca -0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2jmh h ARG 75 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 2jmh h ARG 75 CO 0.00 0.14 -0.04 0.93 2.80 0.00 0.00 179.97 183.80 2jmh h GLU 76 N 0.00 -0.11 0.00 0.20 4.39 -0.57 -3.30 114.58 115.19 2jmh h GLU 76 Ca -0.00 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2jmh h GLU 76 Cb 0.33 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2jmh h GLU 76 CO 0.02 0.38 -0.21 1.37 -1.16 0.00 0.00 179.01 179.41 2jmh h LEU 77 N -0.92 0.00 -1.48 1.33 8.10 -1.13 -1.71 115.31 119.51 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 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.77 2jmh h LEU 77 CO 0.02 0.21 0.00 0.11 -4.11 0.00 0.00 178.44 174.67 2jmh h LYS 78 N 0.00 0.00 -0.44 0.17 1.79 -1.03 -2.95 116.57 114.11 2jmh h LYS 78 Ca -0.00 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 2jmh h LYS 78 Cb 0.40 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.97 2jmh h LYS 78 CO 0.03 0.00 -0.11 -0.09 -1.08 0.00 0.00 179.45 178.20 2jmh h ARG 79 N 0.00 -0.00 -4.70 3.15 9.65 -1.38 -3.43 114.38 117.67 2jmh h ARG 79 Ca 0.00 0.00 -0.28 0.00 -1.10 0.00 0.00 59.98 58.60 2jmh h ARG 79 Cb 0.13 0.00 -0.19 0.00 -1.39 0.00 0.00 29.97 28.52 2jmh h ARG 79 CO 0.00 -0.00 -0.73 0.95 2.80 0.00 0.00 179.97 182.99 2jmh s THR 80 N -6.22 0.67 -0.26 0.20 -4.23 -1.12 -5.05 115.64 99.64 2jmh s THR 80 Ca -0.14 -1.38 0.07 0.00 -1.18 0.00 0.00 61.69 59.05 2jmh s THR 80 Cb 0.15 -1.01 0.24 0.00 1.34 0.00 0.00 72.50 73.22 2jmh s THR 80 CO 0.71 -0.52 1.15 -0.90 -0.54 0.00 0.00 174.62 174.52 2jmh n ASP 81 N 0.95 -1.10 -4.38 3.99 5.75 -1.26 -4.94 116.55 115.56 2jmh n ASP 81 Ca -0.19 -1.84 -0.45 0.00 -0.01 0.00 0.00 54.79 52.30 2jmh n ASP 81 Cb 0.57 0.62 -0.01 0.00 -1.03 0.00 0.00 41.12 41.27 2jmh n ASP 81 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jmh s LEU 82 N -2.52 5.96 -0.30 -2.12 0.20 -1.26 -4.57 118.68 114.08 2jmh s LEU 82 Ca 0.08 -3.19 -0.28 0.00 0.69 0.00 0.00 54.13 51.43 2jmh s LEU 82 Cb 0.25 -2.28 0.20 0.00 -0.43 0.00 0.00 46.19 43.94 2jmh s LEU 82 CO -0.07 -0.51 1.41 0.20 -0.29 0.00 0.00 176.35 177.09 2jmh s ASN 83 N 2.02 -0.00 0.06 3.68 0.02 -1.26 -5.00 114.94 114.45 2jmh s ASN 83 Ca 0.32 0.00 -0.33 0.00 -1.02 0.00 0.00 52.86 51.84 2jmh s ASN 83 Cb -0.08 0.00 -0.19 0.00 0.02 0.00 0.00 41.25 41.01 2jmh s ASN 83 CO -0.06 -0.00 1.56 0.40 0.02 0.00 0.00 177.10 179.01 2jmh h ILE 84 N 2.14 0.29 0.09 0.60 1.08 -1.99 0.18 117.51 119.90 2jmh h ILE 84 Ca -0.10 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2jmh h ILE 84 Cb 1.19 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 2jmh h ILE 84 CO 0.21 0.01 -0.04 0.25 -0.69 0.00 0.00 178.15 177.88 2jmh h LEU 85 N -0.99 -0.10 -1.15 1.44 5.85 -1.99 -1.34 115.31 117.03 2jmh h LEU 85 Ca -0.10 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.71 2jmh h LEU 85 Cb 0.73 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 2jmh h LEU 85 CO 0.16 -0.07 0.59 -0.33 -0.34 0.00 0.00 178.44 178.45 2jmh h GLU 86 N -0.12 0.94 -0.23 1.25 5.08 -1.93 -1.26 114.58 118.32 2jmh h GLU 86 Ca -0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 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 0.02 0.62 0.05 -0.09 -1.00 0.00 0.00 179.01 178.62 2jmh h ARG 87 N 0.97 0.36 0.55 2.33 9.65 -0.21 -0.20 114.38 127.84 2jmh h ARG 87 Ca 0.41 -0.09 -0.02 0.00 -1.10 0.00 0.00 59.98 59.18 2jmh h ARG 87 Cb 0.31 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2jmh h ARG 87 CO -0.17 0.48 -0.29 0.35 2.80 0.00 0.00 179.97 183.14 2jmh h PHE 88 N 0.18 -0.76 -0.99 2.20 3.57 -0.57 0.70 116.94 121.28 2jmh h PHE 88 Ca 0.07 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.62 2jmh h PHE 88 Cb 0.28 0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 2jmh h PHE 88 CO 0.01 -0.46 0.64 -0.91 -2.23 0.00 0.00 178.31 175.36 2jmh h ASN 89 N -0.78 1.03 -0.19 0.41 2.35 -1.27 -1.62 115.58 115.52 2jmh h ASN 89 Ca -0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2jmh h ASN 89 Cb 0.61 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 2jmh h ASN 89 CO 0.10 0.67 0.06 1.88 -1.65 0.00 0.00 177.43 178.50 2jmh h TYR 90 N 1.17 0.31 0.27 1.19 -1.99 -0.75 0.24 116.97 117.41 2jmh h TYR 90 Ca 0.42 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 61.12 2jmh h TYR 90 Cb 0.13 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.76 2jmh h TYR 90 CO -0.00 0.38 -0.24 1.49 -0.00 0.00 0.00 178.16 179.79 2jmh h GLU 91 N 0.14 -0.51 -0.13 4.88 4.22 -0.35 -0.32 114.58 122.51 2jmh h GLU 91 Ca 0.06 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.53 2jmh h GLU 91 Cb 0.22 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2jmh h GLU 91 CO -0.00 -0.34 0.06 1.49 -2.18 0.00 0.00 179.01 178.04 2jmh h GLU 92 N -0.53 0.19 -0.49 1.92 4.81 -1.29 -0.75 114.58 118.43 2jmh h GLU 92 Ca -0.01 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.29 2jmh h GLU 92 Cb 0.48 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 2jmh h GLU 92 CO -0.04 0.24 -0.04 0.00 -0.73 0.00 0.00 179.01 178.44 2jmh h ALA 93 N 0.94 0.42 -0.42 2.92 0.00 -0.38 -0.56 119.26 122.18 2jmh h ALA 93 Ca 0.04 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2jmh h ALA 93 Cb 0.11 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2jmh h ALA 93 CO -0.01 -0.41 -0.12 0.37 0.00 0.00 0.00 179.25 179.09 2jmh h GLN 94 N 0.07 0.76 0.11 0.00 -0.00 -0.91 -1.47 115.11 113.68 2jmh h GLN 94 Ca 0.24 -0.25 0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2jmh h GLN 94 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.77 2jmh h GLN 94 CO -0.44 0.84 -0.14 1.15 0.00 0.00 0.00 178.83 180.24 2jmh h THR 95 N 0.68 0.68 -0.34 2.39 2.02 0.34 0.25 112.91 118.93 2jmh h THR 95 Ca 0.12 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 2jmh h THR 95 Cb 0.59 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2jmh h THR 95 CO 0.04 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 175.86 2jmh h LEU 96 N -0.30 0.59 -0.78 2.58 3.38 -1.16 -1.80 115.31 117.82 2jmh h LEU 96 Ca 0.01 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2jmh h LEU 96 Cb 0.30 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2jmh h LEU 96 CO -0.06 0.76 0.51 -1.28 0.09 0.00 0.00 178.44 178.46 2jmh h SER 97 N 0.41 0.85 0.03 -0.43 0.87 -1.09 -0.40 113.55 113.80 2jmh h SER 97 Ca 0.10 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2jmh h SER 97 Cb 0.46 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2jmh h SER 97 CO 0.02 0.59 -0.02 0.11 -0.53 0.00 0.00 176.83 177.01 2jmh h LYS 98 N 1.00 -0.04 -0.37 2.24 1.57 -0.39 -1.16 116.57 119.42 2jmh h LYS 98 Ca 0.31 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.13 2jmh h LYS 98 Cb -0.03 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2jmh h LYS 98 CO -0.10 0.20 0.12 0.82 -0.57 0.00 0.00 179.45 179.93 2jmh h ILE 99 N -0.28 0.88 -0.19 1.86 2.04 -1.08 -1.38 117.51 119.37 2jmh h ILE 99 Ca -0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jmh h ILE 99 Cb 0.26 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2jmh h ILE 99 CO 0.01 0.05 0.12 0.25 0.00 0.00 0.00 178.15 178.58 2jmh h LEU 100 N 0.27 0.21 -0.55 1.44 5.85 -1.03 -1.60 115.31 119.91 2jmh h LEU 100 Ca 0.17 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.96 2jmh h LEU 100 Cb 0.15 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 2jmh h LEU 100 CO -0.18 0.15 0.20 -0.07 -0.34 0.00 0.00 178.44 178.20 2jmh h LEU 101 N 0.25 0.19 0.35 2.25 -0.00 -0.82 0.28 115.31 117.82 2jmh h LEU 101 Ca 0.07 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 2jmh h LEU 101 Cb -0.03 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 2jmh h LEU 101 CO -0.02 0.13 -0.17 0.50 -0.00 0.00 0.00 178.44 178.88 2jmh h LYS 102 N 0.38 -0.45 -0.57 1.13 3.64 -0.97 -1.14 116.57 118.59 2jmh h LYS 102 Ca 0.27 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.76 2jmh h LYS 102 Cb 0.31 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 2jmh h LYS 102 CO -0.28 -0.30 0.21 -0.44 -2.27 0.00 0.00 179.45 176.38 2jmh h ASP 103 N -0.48 0.22 -0.15 4.20 5.19 -0.89 -1.42 116.42 123.09 2jmh h ASP 103 Ca -0.05 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.45 2jmh h ASP 103 Cb 0.36 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 2jmh h ASP 103 CO 0.08 0.14 0.02 0.25 -3.12 0.00 0.00 179.24 176.61 2jmh h LEU 104 N 0.40 -0.00 -0.15 1.55 5.85 -0.75 -1.31 115.31 120.89 2jmh h LEU 104 Ca 0.28 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.07 2jmh h LEU 104 Cb 0.32 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2jmh h LEU 104 CO -0.28 0.02 -0.13 0.11 -0.34 0.00 0.00 178.44 177.82 2jmh h LYS 105 N 0.09 -0.14 -0.27 1.25 1.79 -0.59 -1.15 116.57 117.54 2jmh h LYS 105 Ca 0.07 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.60 2jmh h LYS 105 Cb 0.06 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 2jmh h LYS 105 CO -0.10 -0.10 -0.04 1.49 -1.08 0.00 0.00 179.45 179.63 2jmh h GLU 106 N -0.15 0.03 -0.08 3.15 4.57 -1.03 -1.34 114.58 119.72 2jmh h GLU 106 Ca 0.10 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 2jmh h GLU 106 Cb 0.29 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.83 2jmh h GLU 106 CO -0.24 0.02 -0.21 1.15 -1.18 0.00 0.00 179.01 178.55 2jmh h THR 107 N 0.03 0.48 -0.41 0.32 2.02 -0.79 -1.35 112.91 113.21 2jmh h THR 107 Ca 0.13 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.38 2jmh h THR 107 Cb 0.19 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 2jmh h THR 107 CO -0.26 0.00 0.02 -0.33 0.37 0.00 0.00 175.52 175.33 2jmh h GLU 108 N -0.29 0.13 -0.29 6.66 5.08 -0.86 -1.28 114.58 123.73 2jmh h GLU 108 Ca 0.09 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2jmh h GLU 108 Cb 0.42 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 2jmh h GLU 108 CO -0.25 0.09 -0.08 0.37 -1.00 0.00 0.00 179.01 178.14 2jmh h GLN 109 N 0.14 -0.00 -0.28 2.33 4.15 -0.72 -0.81 115.11 119.90 2jmh h GLN 109 Ca 0.20 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.67 2jmh h GLN 109 Cb 0.28 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 2jmh h GLN 109 CO -0.32 -0.00 0.04 0.87 -1.93 0.00 0.00 178.83 177.49 2jmh h LYS 110 N -0.00 0.13 -0.70 1.69 1.57 -0.62 0.11 116.57 118.76 2jmh h LYS 110 Ca 0.14 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 2jmh h LYS 110 Cb 0.22 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 2jmh h LYS 110 CO -0.30 0.09 0.39 0.28 -0.57 0.00 0.00 179.45 179.33 2jmh h VAL 111 N 0.14 0.95 0.00 0.50 2.07 -0.67 -0.66 116.25 118.58 2jmh h VAL 111 Ca 0.13 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 2jmh h VAL 111 Cb 0.15 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2jmh h VAL 111 CO -0.19 0.13 -0.43 0.11 0.02 0.00 0.00 177.57 177.21 2jmh h LYS 112 N 0.70 0.00 -0.11 1.57 1.57 -0.55 -3.14 116.57 116.61 2jmh h LYS 112 Ca 0.32 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 2jmh h LYS 112 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2jmh h LYS 112 CO -0.20 0.43 -0.05 0.22 -0.57 0.00 0.00 179.45 179.28 2jmh h ASP 113 N 0.00 0.23 -2.48 0.86 3.58 0.65 -3.44 116.42 115.82 2jmh h ASP 113 Ca -0.00 -0.40 -0.56 0.00 0.42 0.00 0.00 57.03 56.48 2jmh h ASP 113 Cb 0.82 -0.06 0.06 0.00 1.72 0.00 0.00 39.33 41.87 2jmh h ASP 113 CO 0.06 0.58 0.86 -0.38 -2.88 0.00 0.00 179.24 177.48 2jmh n ILE 114 N -4.72 0.12 -3.75 2.25 -0.00 -0.54 -4.97 119.36 107.75 2jmh n ILE 114 Ca -0.06 -0.03 -0.37 0.00 -0.00 0.00 0.00 62.75 62.29 2jmh n ILE 114 Cb 0.27 -1.70 -0.06 0.00 -0.00 0.00 0.00 39.64 38.14 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 0.82 3.72 0.17 0.38 -2.07 -1.26 -4.98 119.66 116.44 2jmh s GLN 115 Ca 0.76 -0.01 0.03 0.00 -1.82 0.00 0.00 55.36 54.32 2jmh s GLN 115 Cb -0.61 -3.25 -0.01 0.00 -1.09 0.00 0.00 33.01 28.05 2jmh s GLN 115 CO 0.37 0.64 0.17 0.25 -1.32 0.00 0.00 175.29 175.41 2jmh n THR 116 N 2.31 0.00 0.00 3.63 -2.24 -1.26 -4.93 114.28 111.79 2jmh n THR 116 Ca -0.17 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 2jmh n THR 116 Cb 0.54 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 2jmh n THR 116 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17