#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 2.00 0.12 -1.09 1.03 -1.26 -5.18 118.70 114.33 2jmh s GLU 2 Ca 0.00 -1.24 0.07 0.00 0.03 0.00 0.00 54.97 53.83 2jmh s GLU 2 Cb 0.00 0.60 -0.04 0.00 -0.80 0.00 0.00 34.13 33.88 2jmh s GLU 2 CO 0.00 -0.93 -0.08 -3.38 -1.33 0.00 0.00 175.26 169.54 2jmh s HIS 3 N -2.79 2.77 0.91 4.83 -3.43 -1.26 -5.11 115.29 111.22 2jmh s HIS 3 Ca 0.15 -0.14 -0.10 0.00 -0.80 0.00 0.00 55.06 54.16 2jmh s HIS 3 Cb -0.05 -1.42 0.15 0.00 -1.43 0.00 0.00 32.58 29.82 2jmh s HIS 3 CO 0.09 0.45 1.13 0.15 -2.00 0.00 0.00 174.74 174.57 2jmh s LYS 4 N -2.37 1.03 1.06 -0.38 1.02 -1.26 -5.01 119.74 113.83 2jmh s LYS 4 Ca 0.23 1.45 -0.14 0.00 0.02 0.00 0.00 55.97 57.53 2jmh s LYS 4 Cb -0.11 -1.74 0.22 0.00 -0.52 0.00 0.00 37.83 35.68 2jmh s LYS 4 CO 0.15 -2.59 1.10 -1.25 -0.92 0.00 0.00 175.35 171.84 2jmh s PRO 5 N -4.67 -0.04 1.28 -1.68 0.04 -1.26 -5.04 135.00 123.63 2jmh s PRO 5 Ca 0.66 0.36 -0.21 0.00 0.04 0.00 0.00 61.00 61.84 2jmh s PRO 5 Cb -0.22 -1.70 0.33 0.00 0.04 0.00 0.00 34.50 32.95 2jmh s PRO 5 CO 0.58 -3.01 0.86 1.63 0.04 0.00 0.00 177.00 177.10 2jmh n LYS 6 N -4.34 -4.13 -2.98 4.56 5.02 -1.26 -5.05 118.16 109.98 2jmh n LYS 6 Ca 0.07 -1.42 -0.18 0.00 -2.02 0.00 0.00 58.31 54.76 2jmh n LYS 6 Cb 0.58 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 33.95 2jmh n LYS 6 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2jmh s LYS 7 N -5.03 2.73 -1.69 1.97 -2.85 -1.26 -4.49 119.74 109.12 2jmh s LYS 7 Ca 0.63 -1.27 -0.02 0.00 -1.00 0.00 0.00 55.97 54.31 2jmh s LYS 7 Cb -0.09 -2.72 0.00 0.00 -2.06 0.00 0.00 37.83 32.96 2jmh s LYS 7 CO 0.51 -0.39 0.23 -3.47 0.10 0.00 0.00 175.35 172.32 2jmh n ASP 8 N -1.95 -5.96 0.02 0.03 2.03 -1.26 -4.89 116.55 104.57 2jmh n ASP 8 Ca 0.09 -0.12 -0.19 0.00 0.52 0.00 0.00 54.79 55.09 2jmh n ASP 8 Cb 0.59 -4.91 -0.14 0.00 -0.72 0.00 0.00 41.12 35.94 2jmh n ASP 8 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2jmh h ASP 9 N -0.52 0.37 -2.15 1.67 3.32 -1.99 -3.39 116.42 113.73 2jmh h ASP 9 Ca -0.51 -0.94 -0.74 0.00 0.02 0.00 0.00 57.03 54.86 2jmh h ASP 9 Cb 1.37 -0.12 -0.18 0.00 0.22 0.00 0.00 39.33 40.62 2jmh h ASP 9 CO 0.58 1.36 1.38 0.33 -1.72 0.00 0.00 179.24 181.17 2jmh n PHE 10 N -4.19 4.83 -2.84 4.55 7.35 -1.26 -5.01 117.46 120.90 2jmh n PHE 10 Ca -0.15 -3.33 -0.33 0.00 -0.76 0.00 0.00 57.45 52.88 2jmh n PHE 10 Cb 0.77 -2.16 -0.06 0.00 0.35 0.00 0.00 39.48 38.38 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 1.39 4.14 0.07 -4.13 1.81 -1.26 -5.08 118.95 115.89 2jmh s ARG 11 Ca 0.42 0.99 0.01 0.00 -1.72 0.00 0.00 55.73 55.44 2jmh s ARG 11 Cb -0.02 -2.23 -0.04 0.00 -0.45 0.00 0.00 34.95 32.21 2jmh s ARG 11 CO 0.00 -0.02 -0.06 -0.80 -0.68 0.00 0.00 175.30 173.74 2jmh s ASN 12 N -2.32 0.95 0.90 0.23 0.02 -1.26 -5.15 114.94 108.30 2jmh s ASN 12 Ca 0.60 -0.86 -0.11 0.00 -1.02 0.00 0.00 52.86 51.46 2jmh s ASN 12 Cb -0.09 0.09 0.13 0.00 0.02 0.00 0.00 41.25 41.40 2jmh s ASN 12 CO 0.16 -0.41 1.10 -1.61 0.02 0.00 0.00 177.10 176.37 2jmh s GLU 13 N -3.15 1.18 -0.03 -0.60 8.01 -1.26 -5.03 118.70 117.83 2jmh s GLU 13 Ca 0.04 1.10 -0.03 0.00 0.01 0.00 0.00 54.97 56.10 2jmh s GLU 13 Cb 0.01 -1.78 -0.01 0.00 -4.31 0.00 0.00 34.13 28.04 2jmh s GLU 13 CO -0.04 -2.37 -0.05 1.19 0.01 0.00 0.00 175.26 173.99 2jmh n PHE 14 N -4.01 0.00 0.05 1.61 3.01 -1.26 -3.98 117.46 112.88 2jmh n PHE 14 Ca 0.08 0.00 0.20 0.00 1.01 0.00 0.00 57.45 58.74 2jmh n PHE 14 Cb 0.54 -0.08 0.73 0.00 -0.01 0.00 0.00 39.48 40.66 2jmh n PHE 14 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 2jmh h ASP 15 N -0.15 0.00 -0.13 4.37 3.04 -1.96 -0.91 116.42 120.68 2jmh h ASP 15 Ca 0.00 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.71 2jmh h ASP 15 Cb 0.15 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.44 2jmh h ASP 15 CO 0.00 0.00 -0.22 -0.74 -2.04 0.00 0.00 179.24 176.24 2jmh h HIS 16 N 0.00 0.47 -3.52 4.15 2.76 -1.99 -3.41 115.15 113.62 2jmh h HIS 16 Ca 0.21 -0.16 -0.71 0.00 -2.20 0.00 0.00 60.37 57.51 2jmh h HIS 16 Cb 0.96 -0.09 -0.27 0.00 1.55 0.00 0.00 27.41 29.56 2jmh h HIS 16 CO 0.00 0.83 -0.50 -0.51 -1.30 0.00 0.00 177.93 176.46 2jmh s LEU 17 N -8.95 4.93 0.05 0.26 1.43 -0.35 -4.99 118.68 111.06 2jmh s LEU 17 Ca -0.14 -1.30 -0.21 0.00 -1.03 0.00 0.00 54.13 51.45 2jmh s LEU 17 Cb 0.05 -1.99 -0.10 0.00 0.03 0.00 0.00 46.19 44.18 2jmh s LEU 17 CO 0.77 -0.47 1.33 -0.07 0.23 0.00 0.00 176.35 178.14 2jmh h LEU 18 N 8.40 -0.85 -0.74 1.79 4.07 -1.80 -1.37 115.31 124.81 2jmh h LEU 18 Ca -0.24 0.07 0.16 0.00 0.08 0.00 0.00 57.88 57.95 2jmh h LEU 18 Cb 1.09 0.29 -0.11 0.00 1.08 0.00 0.00 40.66 43.01 2jmh h LEU 18 CO 0.71 -0.38 0.21 0.40 -1.08 0.00 0.00 178.44 178.31 2jmh h ILE 19 N -0.56 0.55 -0.22 1.22 1.08 -1.94 -0.87 117.51 116.79 2jmh h ILE 19 Ca -0.03 -0.11 0.06 0.00 -0.39 0.00 0.00 64.86 64.39 2jmh h ILE 19 Cb 0.50 0.21 -0.07 0.00 -3.07 0.00 0.00 36.82 34.39 2jmh h ILE 19 CO -0.07 0.06 -0.25 -0.08 -0.69 0.00 0.00 178.15 177.12 2jmh h GLU 20 N 0.32 -0.26 -0.95 2.37 4.57 -1.80 0.23 114.58 119.07 2jmh h GLU 20 Ca 0.42 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.61 2jmh h GLU 20 Cb 0.69 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.29 2jmh h GLU 20 CO -0.48 -0.17 0.59 0.37 -1.18 0.00 0.00 179.01 178.14 2jmh h GLN 21 N -0.27 1.27 -0.32 1.92 -0.00 -0.15 -1.32 115.11 116.24 2jmh h GLN 21 Ca 0.13 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.65 58.67 2jmh h GLN 21 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 27.48 27.66 2jmh h GLN 21 CO -0.37 0.87 0.15 0.00 0.00 0.00 0.00 178.83 179.48 2jmh h ALA 22 N 1.33 0.41 -0.79 3.38 0.00 -0.10 -0.87 119.26 122.61 2jmh h ALA 22 Ca 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2jmh h ALA 22 Cb -0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2jmh h ALA 22 CO -0.07 -0.02 0.37 -0.91 0.00 0.00 0.00 179.25 178.62 2jmh h ASN 23 N 0.38 1.05 -0.56 0.00 2.35 -0.26 -1.26 115.58 117.29 2jmh h ASN 23 Ca 0.11 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 2jmh h ASN 23 Cb 0.13 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2jmh h ASN 23 CO -0.01 0.90 0.12 0.45 -1.65 0.00 0.00 177.43 177.23 2jmh h HIS 24 N 1.13 0.95 0.08 1.19 3.86 -1.02 0.42 115.15 121.76 2jmh h HIS 24 Ca 0.27 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2jmh h HIS 24 Cb 0.14 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.35 2jmh h HIS 24 CO 0.01 0.83 -0.04 0.00 0.86 0.00 0.00 177.93 179.60 2jmh h ALA 25 N 1.01 -0.11 -0.12 2.45 0.00 -0.87 -1.32 119.26 120.30 2jmh h ALA 25 Ca 0.17 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2jmh h ALA 25 Cb 0.37 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jmh h ALA 25 CO 0.01 -0.46 -0.16 -0.84 0.00 0.00 0.00 179.25 177.79 2jmh h ILE 26 N -0.30 1.18 -0.01 0.00 3.07 -1.20 -1.41 117.51 118.84 2jmh h ILE 26 Ca -0.01 -0.82 -0.00 0.00 1.55 0.00 0.00 64.86 65.58 2jmh h ILE 26 Cb 0.26 1.28 -0.00 0.00 -0.27 0.00 0.00 36.82 38.09 2jmh h ILE 26 CO 0.02 0.25 -0.00 -0.33 -1.05 0.00 0.00 178.15 177.04 2jmh h GLU 27 N 0.18 0.02 -0.50 0.16 5.08 -0.71 -0.16 114.58 118.65 2jmh h GLU 27 Ca 0.03 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2jmh h GLU 27 Cb 0.40 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2jmh h GLU 27 CO 0.03 0.37 0.19 -0.22 -1.00 0.00 0.00 179.01 178.37 2jmh h LYS 28 N -0.34 0.76 -0.58 2.33 3.64 -1.09 -0.97 116.57 120.32 2jmh h LYS 28 Ca 0.00 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.15 2jmh h LYS 28 Cb 0.37 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2jmh h LYS 28 CO 0.00 0.68 0.02 0.78 -2.27 0.00 0.00 179.45 178.67 2jmh h GLY 29 N 0.67 1.07 1.07 5.01 0.00 -1.26 -1.06 103.07 108.57 2jmh h GLY 29 Ca 0.16 -0.74 -0.13 0.00 0.00 0.00 0.00 47.33 46.62 2jmh h GLY 29 CO -0.01 0.69 -0.22 -2.09 0.00 0.00 0.00 176.54 174.90 2jmh h GLU 30 N 0.92 0.92 0.25 4.80 4.22 -0.84 -0.34 114.58 124.50 2jmh h GLU 30 Ca 0.17 -0.41 -0.01 0.00 0.08 0.00 0.00 59.36 59.19 2jmh h GLU 30 Cb 0.50 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2jmh h GLU 30 CO 0.02 1.06 -0.12 1.25 -2.18 0.00 0.00 179.01 179.05 2jmh h HIS 31 N 0.75 -0.31 -0.18 0.92 2.76 -1.05 -1.44 115.15 116.60 2jmh h HIS 31 Ca 0.10 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 2jmh h HIS 31 Cb 0.80 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 2jmh h HIS 31 CO 0.06 0.02 -0.00 -0.56 -1.30 0.00 0.00 177.93 176.14 2jmh h GLN 32 N -0.65 0.26 0.10 5.26 -0.00 -1.24 -1.43 115.11 117.43 2jmh h GLN 32 Ca -0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.57 2jmh h GLN 32 Cb 0.46 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.89 2jmh h GLN 32 CO 0.06 0.29 -0.05 1.25 -0.00 0.00 0.00 178.83 180.38 2jmh h LEU 33 N 0.26 -0.12 -1.03 0.06 7.12 -0.96 -0.87 115.31 119.78 2jmh h LEU 33 Ca 0.06 -0.30 -0.01 0.00 0.13 0.00 0.00 57.88 57.76 2jmh h LEU 33 Cb 0.18 0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.31 2jmh h LEU 33 CO 0.00 0.25 0.47 -0.07 -0.13 0.00 0.00 178.44 178.96 2jmh h LEU 34 N -0.50 1.02 -0.06 2.25 3.38 -1.04 0.60 115.31 120.95 2jmh h LEU 34 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2jmh h LEU 34 Cb 0.41 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2jmh h LEU 34 CO 0.02 0.81 0.01 0.22 0.09 0.00 0.00 178.44 179.59 2jmh h TYR 35 N 1.15 0.10 0.00 1.13 5.03 -1.23 -2.89 116.97 120.27 2jmh h TYR 35 Ca 0.29 -0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.54 2jmh h TYR 35 Cb -0.00 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.24 2jmh h TYR 35 CO 0.01 0.33 -0.25 1.37 -1.32 0.00 0.00 178.16 178.30 2jmh h LEU 36 N -0.16 0.00 -0.95 2.82 8.10 -0.93 -2.88 115.31 121.32 2jmh h LEU 36 Ca 0.02 0.00 0.19 0.00 0.11 0.00 0.00 57.88 58.20 2jmh h LEU 36 Cb 0.29 0.00 -0.11 0.00 -0.44 0.00 0.00 40.66 40.40 2jmh h LEU 36 CO 0.00 0.25 0.53 -0.61 -4.11 0.00 0.00 178.44 174.50 2jmh h GLN 37 N 0.00 0.62 0.21 0.17 4.15 -0.65 -1.12 115.11 118.48 2jmh h GLN 37 Ca -0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2jmh h GLN 37 Cb 0.50 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.05 2jmh h GLN 37 CO 0.03 0.41 -0.10 1.25 -1.93 0.00 0.00 178.83 178.49 2jmh h HIS 38 N 0.64 -0.26 -0.97 3.99 2.76 -1.57 -1.16 115.15 118.58 2jmh h HIS 38 Ca 0.56 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.84 2jmh h HIS 38 Cb 0.92 0.08 -0.09 0.00 1.55 0.00 0.00 27.41 29.88 2jmh h HIS 38 CO -0.05 -0.11 0.60 1.96 -1.30 0.00 0.00 177.93 179.03 2jmh h GLN 39 N -0.34 0.90 -0.10 5.26 1.08 -1.37 -1.60 115.11 118.94 2jmh h GLN 39 Ca -0.03 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2jmh h GLN 39 Cb 0.26 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2jmh h GLN 39 CO 0.05 0.60 0.02 1.25 -0.95 0.00 0.00 178.83 179.79 2jmh h LEU 40 N 0.93 0.16 -0.57 1.46 6.46 -1.00 0.26 115.31 123.00 2jmh h LEU 40 Ca 0.49 -0.24 0.09 0.00 -0.12 0.00 0.00 57.88 58.09 2jmh h LEU 40 Cb 0.51 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.33 2jmh h LEU 40 CO -0.28 0.36 0.18 -0.78 -0.62 0.00 0.00 178.44 177.31 2jmh h ASP 41 N -0.05 0.15 0.86 1.25 3.58 -0.44 0.47 116.42 122.24 2jmh h ASP 41 Ca 0.03 0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.43 2jmh h ASP 41 Cb 0.27 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 2jmh h ASP 41 CO 0.00 0.10 -0.62 1.05 -2.88 0.00 0.00 179.24 176.89 2jmh h GLU 42 N 0.35 0.00 -0.04 0.28 4.11 -1.22 -3.11 114.58 114.95 2jmh h GLU 42 Ca 0.29 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.62 2jmh h GLU 42 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2jmh h GLU 42 CO -0.31 0.62 -0.45 1.25 0.07 0.00 0.00 179.01 180.19 2jmh h LEU 43 N 0.00 0.08 -0.89 3.06 5.85 0.97 -1.13 115.31 123.26 2jmh h LEU 43 Ca -0.01 -0.04 0.16 0.00 0.84 0.00 0.00 57.88 58.84 2jmh h LEU 43 Cb 1.22 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.13 2jmh h LEU 43 CO 0.08 0.53 0.48 0.78 -0.34 0.00 0.00 178.44 179.96 2jmh h ASN 44 N 0.07 0.58 0.03 1.25 -0.26 -0.89 0.37 115.58 116.73 2jmh h ASN 44 Ca 0.00 0.10 -0.27 0.00 -0.56 0.00 0.00 56.30 55.57 2jmh h ASN 44 Cb 0.82 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.05 2jmh h ASN 44 CO 0.06 0.23 -1.49 1.21 -1.06 0.00 0.00 177.43 176.38 2jmh n GLU 45 N -4.85 0.61 -0.28 0.81 4.07 -1.15 -4.21 120.64 115.64 2jmh n GLU 45 Ca 0.19 0.50 0.16 0.00 -0.06 0.00 0.00 57.16 57.94 2jmh n GLU 45 Cb 0.47 -1.73 0.42 0.00 -0.06 0.00 0.00 31.44 30.55 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 2jmh h ASN 46 N -0.78 0.58 -5.35 4.31 4.21 -1.05 -3.45 115.58 114.06 2jmh h ASN 46 Ca -0.39 0.06 -0.35 0.00 1.21 0.00 0.00 56.30 56.83 2jmh h ASN 46 Cb 1.47 -0.05 -0.08 0.00 -1.12 0.00 0.00 38.32 38.54 2jmh h ASN 46 CO -0.16 0.24 -0.51 0.29 -1.29 0.00 0.00 177.43 176.00 2jmh n LYS 47 N -4.59 -3.10 -2.47 0.81 4.76 0.13 -4.88 118.16 108.82 2jmh n LYS 47 Ca 0.20 0.43 -0.42 0.00 -2.87 0.00 0.00 58.31 55.65 2jmh n LYS 47 Cb 0.60 -5.11 -0.03 0.00 -1.84 0.00 0.00 35.03 28.66 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 7.15 0.28 4.39 0.15 -1.26 -4.73 113.70 117.05 2jmh s SER 48 Ca 0.35 1.99 0.03 0.00 0.70 0.00 0.00 55.95 59.03 2jmh s SER 48 Cb -0.19 -2.58 0.42 0.00 -1.71 0.00 0.00 66.02 61.96 2jmh s SER 48 CO 0.44 -0.39 1.71 0.07 1.20 0.00 0.00 173.24 176.27 2jmh h LYS 49 N 6.43 0.43 0.00 5.44 -0.00 -1.93 -0.42 116.57 126.52 2jmh h LYS 49 Ca -0.42 -0.17 -0.15 0.00 -0.00 0.00 0.00 60.65 59.90 2jmh h LYS 49 Cb 1.21 -0.02 0.01 0.00 -0.00 0.00 0.00 32.23 33.44 2jmh h LYS 49 CO 0.79 0.68 -0.61 1.05 -0.00 0.00 0.00 179.45 181.36 2jmh h GLU 50 N 0.37 0.41 -0.60 0.07 4.11 -1.98 -1.51 114.58 115.46 2jmh h GLU 50 Ca 0.05 -0.44 -0.09 0.00 0.07 0.00 0.00 59.36 58.96 2jmh h GLU 50 Cb 0.71 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2jmh h GLU 50 CO 0.05 1.11 0.04 1.25 0.07 0.00 0.00 179.01 181.53 2jmh h LEU 51 N -0.11 0.98 -0.42 3.06 5.85 -1.95 -0.61 115.31 122.11 2jmh h LEU 51 Ca -0.08 -0.25 -0.18 0.00 0.84 0.00 0.00 57.88 58.21 2jmh h LEU 51 Cb 1.32 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2jmh h LEU 51 CO 0.12 1.01 -0.72 0.06 -0.34 0.00 0.00 178.44 178.57 2jmh h GLN 52 N 0.93 0.40 -0.15 1.25 -0.00 -1.14 -1.56 115.11 114.85 2jmh h GLN 52 Ca 0.18 -0.33 -0.15 0.00 -0.00 0.00 0.00 58.65 58.35 2jmh h GLN 52 Cb 0.49 0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 28.03 2jmh h GLN 52 CO 0.02 0.96 -0.54 0.93 -0.00 0.00 0.00 178.83 180.21 2jmh h GLU 53 N 0.28 0.43 -0.01 0.06 5.08 -1.06 -1.34 114.58 118.00 2jmh h GLU 53 Ca -0.03 -0.26 -0.18 0.00 -1.00 0.00 0.00 59.36 57.89 2jmh h GLU 53 Cb 1.29 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.58 2jmh h GLU 53 CO 0.12 0.86 -0.69 0.87 -1.00 0.00 0.00 179.01 179.17 2jmh h LYS 54 N 0.33 0.49 0.23 2.33 1.79 -1.08 -2.87 116.57 117.80 2jmh h LYS 54 Ca 0.01 -0.51 -0.01 0.00 -2.18 0.00 0.00 60.65 57.96 2jmh h LYS 54 Cb 1.05 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2jmh h LYS 54 CO 0.09 1.15 -0.11 0.82 -1.08 0.00 0.00 179.45 180.32 2jmh h ILE 55 N 0.04 0.84 -0.91 1.86 2.04 -1.29 -1.42 117.51 118.66 2jmh h ILE 55 Ca -0.08 -0.48 0.14 0.00 1.00 0.00 0.00 64.86 65.44 2jmh h ILE 55 Cb 1.38 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 38.50 2jmh h ILE 55 CO 0.14 0.11 0.58 -0.29 0.00 0.00 0.00 178.15 178.69 2jmh h ILE 56 N -0.56 0.84 0.19 -0.67 2.10 -1.37 0.20 117.51 118.24 2jmh h ILE 56 Ca -0.03 -0.25 -0.01 0.00 1.08 0.00 0.00 64.86 65.65 2jmh h ILE 56 Cb 0.41 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.18 2jmh h ILE 56 CO 0.05 0.13 -0.09 0.03 -1.08 0.00 0.00 178.15 177.20 2jmh h ARG 57 N 0.74 -0.24 -0.68 2.19 -0.00 -1.37 -0.22 114.38 114.79 2jmh h ARG 57 Ca 0.46 0.02 0.02 0.00 -0.50 0.00 0.00 59.98 59.98 2jmh h ARG 57 Cb 0.69 0.06 -0.04 0.00 0.00 0.00 0.00 29.97 30.68 2jmh h ARG 57 CO -0.22 0.11 0.44 1.49 0.00 0.00 0.00 179.97 181.79 2jmh h GLU 58 N -0.65 0.85 -0.33 0.04 4.81 -0.68 -1.45 114.58 117.16 2jmh h GLU 58 Ca -0.03 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 2jmh h GLU 58 Cb 0.47 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2jmh h GLU 58 CO 0.04 0.56 -0.16 1.25 -0.73 0.00 0.00 179.01 179.97 2jmh h LEU 59 N 0.87 0.58 0.38 1.64 6.46 -0.64 -1.25 115.31 123.34 2jmh h LEU 59 Ca 0.27 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2jmh h LEU 59 Cb -0.03 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 2jmh h LEU 59 CO -0.09 0.76 -0.18 0.44 -0.62 0.00 0.00 178.44 178.75 2jmh h ASP 60 N 0.53 -0.43 -0.85 1.25 5.19 -0.35 0.26 116.42 122.02 2jmh h ASP 60 Ca 0.09 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2jmh h ASP 60 Cb 0.59 0.11 -0.04 0.00 0.18 0.00 0.00 39.33 40.17 2jmh h ASP 60 CO 0.04 -0.16 0.50 1.62 -3.12 0.00 0.00 179.24 178.12 2jmh h VAL 61 N -0.70 1.24 0.47 -1.35 3.04 -1.26 0.39 116.25 118.08 2jmh h VAL 61 Ca -0.05 -0.55 -0.02 0.00 -1.01 0.00 0.00 66.70 65.06 2jmh h VAL 61 Cb 0.49 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.84 2jmh h VAL 61 CO 0.08 0.26 -0.23 0.58 -1.01 0.00 0.00 177.57 177.26 2jmh h VAL 62 N 1.18 0.40 -0.09 1.51 2.07 -1.17 -1.72 116.25 118.42 2jmh h VAL 62 Ca 0.30 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2jmh h VAL 62 Cb -0.02 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2jmh h VAL 62 CO -0.05 0.06 0.09 0.00 0.02 0.00 0.00 177.57 177.69 2jmh h ALA 64 N 1.91 -0.47 -0.45 0.00 0.00 -0.78 -0.49 119.26 118.98 2jmh h ALA 64 Ca 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2jmh h ALA 64 Cb 0.22 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2jmh h ALA 64 CO -0.00 -0.48 0.11 0.00 0.00 0.00 0.00 179.25 178.88 2jmh h MET 65 N -1.05 0.66 -0.09 0.00 -0.00 -1.03 -1.52 114.93 111.91 2jmh h MET 65 Ca -0.05 -0.12 -0.03 0.00 -0.00 0.00 0.00 59.70 59.51 2jmh h MET 65 Cb 0.47 -0.11 -0.00 0.00 -0.00 0.00 0.00 31.60 31.96 2jmh h MET 65 CO 0.08 0.60 -0.06 0.82 -0.00 0.00 0.00 176.91 178.36 2jmh h ILE 66 N 0.65 1.34 -0.16 -0.10 5.03 -0.87 -1.41 117.51 121.99 2jmh h ILE 66 Ca 0.15 -1.12 0.01 0.00 -0.12 0.00 0.00 64.86 63.77 2jmh h ILE 66 Cb 0.24 1.90 -0.01 0.00 -3.03 0.00 0.00 36.82 35.92 2jmh h ILE 66 CO -0.00 0.32 0.09 -0.33 -0.68 0.00 0.00 178.15 177.54 2jmh h GLU 67 N -0.20 0.18 0.23 2.37 5.08 -0.91 0.28 114.58 121.62 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 0.53 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jmh h GLU 67 CO 0.02 0.12 -0.11 0.78 -1.00 0.00 0.00 179.01 178.81 2jmh h GLY 68 N 0.19 -0.33 1.00 -3.84 0.00 -1.32 -1.36 103.07 97.41 2jmh h GLY 68 Ca 0.06 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2jmh h GLY 68 CO -0.04 -0.12 0.38 0.00 0.00 0.00 0.00 176.54 176.76 2jmh h ALA 69 N 0.36 0.84 0.11 3.60 0.00 -1.18 -0.75 119.26 122.24 2jmh h ALA 69 Ca -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2jmh h ALA 69 Cb 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2jmh h ALA 69 CO 0.05 0.33 -0.16 1.96 0.00 0.00 0.00 179.25 181.44 2jmh h GLN 70 N 0.89 -0.31 -0.64 0.00 4.20 -0.33 0.68 115.11 119.61 2jmh h GLN 70 Ca 0.23 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 2jmh h GLN 70 Cb 0.01 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2jmh h GLN 70 CO -0.04 -0.20 0.22 0.78 -0.67 0.00 0.00 178.83 178.91 2jmh h GLY 71 N -0.32 1.02 0.60 3.46 0.00 -1.10 -0.18 103.07 106.56 2jmh h GLY 71 Ca 0.02 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 2jmh h GLY 71 CO -0.07 0.53 -0.29 0.00 0.00 0.00 0.00 176.54 176.71 2jmh h ALA 72 N 1.31 -0.96 -0.83 3.60 0.00 -0.78 -1.30 119.26 120.29 2jmh h ALA 72 Ca 0.21 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2jmh h ALA 72 Cb 0.23 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2jmh h ALA 72 CO -0.01 -0.90 0.54 1.37 0.00 0.00 0.00 179.25 180.25 2jmh h LEU 73 N -1.01 0.71 0.20 0.00 8.10 -0.90 0.08 115.31 122.50 2jmh h LEU 73 Ca -0.08 0.02 -0.01 0.00 0.11 0.00 0.00 57.88 57.92 2jmh h LEU 73 Cb 0.62 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 2jmh h LEU 73 CO 0.13 0.42 -0.10 -0.33 -4.11 0.00 0.00 178.44 174.46 2jmh h GLU 74 N 0.79 -0.26 0.00 0.17 5.08 -1.00 0.22 114.58 119.58 2jmh h GLU 74 Ca 0.39 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.72 2jmh h GLU 74 Cb 0.44 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2jmh h GLU 74 CO -0.16 -0.10 -0.19 -0.09 -1.00 0.00 0.00 179.01 177.47 2jmh h ARG 75 N -0.36 0.00 0.00 2.33 9.65 -0.66 0.21 114.38 125.55 2jmh h ARG 75 Ca -0.03 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2jmh h ARG 75 Cb 0.28 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2jmh h ARG 75 CO 0.05 0.19 -0.00 0.93 2.80 0.00 0.00 179.97 183.94 2jmh h GLU 76 N 0.00 -0.00 0.00 0.20 4.39 -0.60 -3.29 114.58 115.28 2jmh h GLU 76 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 2jmh h GLU 76 Cb 0.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2jmh h GLU 76 CO 0.02 0.79 -0.31 1.37 -1.16 0.00 0.00 179.01 179.73 2jmh h LEU 77 N -0.80 0.00 -1.43 1.33 8.10 -0.45 -2.81 115.31 119.25 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 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.01 2jmh h LEU 77 CO 0.00 0.31 0.00 0.11 -4.11 0.00 0.00 178.44 174.75 2jmh h LYS 78 N 0.00 0.00 0.00 0.17 1.79 -0.65 -1.39 116.57 116.49 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 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2jmh h LYS 78 CO 0.04 0.00 0.00 -2.13 -1.08 0.00 0.00 179.45 176.28 2jmh n ARG 79 N -2.42 0.14 -0.70 3.15 3.00 -1.06 -4.81 116.66 113.96 2jmh n ARG 79 Ca -0.00 0.40 -0.33 0.00 -0.00 0.00 0.00 57.85 57.92 2jmh n ARG 79 Cb 0.12 -1.79 0.16 0.00 0.00 0.00 0.00 32.46 30.95 2jmh n ARG 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2jmh n THR 80 N -2.06 0.00 0.00 5.15 -2.24 -0.53 -5.02 114.28 109.59 2jmh n THR 80 Ca 0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2jmh n THR 80 Cb 0.20 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.32 0.00 -3.62 3.42 8.00 -1.26 -5.12 116.55 116.65 2jmh n ASP 81 Ca 0.01 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 2jmh n ASP 81 Cb 0.63 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 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 -3.92 -0.22 -0.30 0.64 2.96 -1.26 -5.15 118.68 111.44 2jmh s LEU 82 Ca 0.00 0.30 -0.28 0.00 -0.22 0.00 0.00 54.13 53.94 2jmh s LEU 82 Cb 0.00 1.50 0.20 0.00 0.50 0.00 0.00 46.19 48.38 2jmh s LEU 82 CO 0.00 -0.17 1.43 0.21 -1.32 0.00 0.00 176.35 176.50 2jmh s ASN 83 N -0.73 -0.01 0.06 3.68 2.47 -1.26 -5.01 114.94 114.14 2jmh s ASN 83 Ca 0.04 0.01 -0.32 0.00 0.42 0.00 0.00 52.86 53.00 2jmh s ASN 83 Cb -0.02 0.01 -0.19 0.00 -1.45 0.00 0.00 41.25 39.60 2jmh s ASN 83 CO -0.05 -0.00 1.53 0.40 -3.72 0.00 0.00 177.10 175.26 2jmh h ILE 84 N 2.36 0.28 0.09 -5.21 2.04 -2.03 0.26 117.51 115.30 2jmh h ILE 84 Ca -0.14 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2jmh h ILE 84 Cb 1.19 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2jmh h ILE 84 CO 0.20 0.01 -0.05 0.25 0.00 0.00 0.00 178.15 178.57 2jmh h LEU 85 N -1.00 -0.11 -0.76 1.44 5.85 -1.99 -1.33 115.31 117.41 2jmh h LEU 85 Ca -0.10 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.69 2jmh h LEU 85 Cb 0.74 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 2jmh h LEU 85 CO 0.16 -0.08 0.44 -0.33 -0.34 0.00 0.00 178.44 178.30 2jmh h GLU 86 N -0.12 0.78 -0.51 1.25 5.08 -1.95 -1.25 114.58 117.87 2jmh h GLU 86 Ca -0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2jmh h GLU 86 Cb 0.10 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2jmh h GLU 86 CO 0.02 0.52 0.31 -0.09 -1.00 0.00 0.00 179.01 178.76 2jmh h ARG 87 N 0.81 0.68 0.58 2.33 2.43 -0.18 0.22 114.38 121.25 2jmh h ARG 87 Ca 0.34 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 2jmh h ARG 87 Cb 0.19 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2jmh h ARG 87 CO -0.18 0.49 -0.28 0.35 -1.51 0.00 0.00 179.97 178.84 2jmh h PHE 88 N 0.68 -0.72 -0.90 2.20 3.57 -0.58 0.28 116.94 121.47 2jmh h PHE 88 Ca 0.18 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.68 2jmh h PHE 88 Cb -0.02 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 2jmh h PHE 88 CO -0.03 -0.44 0.59 -0.91 -2.23 0.00 0.00 178.31 175.30 2jmh h ASN 89 N -0.82 1.02 -0.48 0.41 2.35 -1.17 -1.69 115.58 115.20 2jmh h ASN 89 Ca -0.08 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 2jmh h ASN 89 Cb 0.61 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 2jmh h ASN 89 CO 0.13 0.73 0.08 1.88 -1.65 0.00 0.00 177.43 178.61 2jmh h TYR 90 N 1.21 0.84 0.42 1.19 -1.99 -0.41 -0.22 116.97 118.01 2jmh h TYR 90 Ca 0.33 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.93 2jmh h TYR 90 Cb -0.12 -0.23 -0.00 0.00 2.00 0.00 0.00 36.73 38.38 2jmh h TYR 90 CO -0.01 0.78 -0.23 0.93 -0.00 0.00 0.00 178.16 179.63 2jmh h GLU 91 N 0.66 -0.58 -0.21 4.88 5.08 -0.01 -1.23 114.58 123.17 2jmh h GLU 91 Ca 0.15 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2jmh h GLU 91 Cb 0.39 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2jmh h GLU 91 CO 0.01 -0.39 0.14 1.49 -1.00 0.00 0.00 179.01 179.26 2jmh h GLU 92 N -0.61 0.29 -0.43 2.33 4.81 -1.30 -0.88 114.58 118.78 2jmh h GLU 92 Ca -0.05 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.24 2jmh h GLU 92 Cb 0.48 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.72 2jmh h GLU 92 CO 0.07 0.21 -0.10 0.00 -0.73 0.00 0.00 179.01 178.46 2jmh h ALA 93 N 1.06 0.29 -0.47 2.92 0.00 -0.92 -0.60 119.26 121.53 2jmh h ALA 93 Ca 0.08 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2jmh h ALA 93 Cb -0.01 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jmh h ALA 93 CO -0.02 -0.45 -0.00 0.37 0.00 0.00 0.00 179.25 179.15 2jmh h GLN 94 N 0.01 0.78 0.08 0.00 4.15 -1.01 -1.45 115.11 117.66 2jmh h GLN 94 Ca 0.21 -0.21 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2jmh h GLN 94 Cb 0.32 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 2jmh h GLN 94 CO -0.44 0.80 -0.13 1.15 -1.93 0.00 0.00 178.83 178.27 2jmh h THR 95 N 0.73 0.69 -0.54 2.39 2.02 0.30 0.16 112.91 118.67 2jmh h THR 95 Ca 0.14 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.23 2jmh h THR 95 Cb 0.45 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2jmh h THR 95 CO 0.02 0.00 -0.01 -0.07 0.37 0.00 0.00 175.52 175.83 2jmh h LEU 96 N -0.26 0.94 -0.29 2.58 3.38 -1.16 -1.81 115.31 118.68 2jmh h LEU 96 Ca 0.02 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2jmh h LEU 96 Cb 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2jmh h LEU 96 CO -0.08 1.02 0.19 0.28 0.09 0.00 0.00 178.44 179.95 2jmh h SER 97 N 0.83 0.33 0.01 -0.43 0.02 -0.99 0.77 113.55 114.09 2jmh h SER 97 Ca 0.15 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2jmh h SER 97 Cb 0.55 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2jmh h SER 97 CO 0.03 0.24 -0.01 0.50 -1.14 0.00 0.00 176.83 176.45 2jmh h LYS 98 N 0.39 -0.02 0.45 3.45 3.64 -0.60 0.91 116.57 124.79 2jmh h LYS 98 Ca 0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2jmh h LYS 98 Cb -0.04 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2jmh h LYS 98 CO -0.03 0.12 -0.33 0.82 -2.27 0.00 0.00 179.45 177.76 2jmh h ILE 99 N -0.15 0.31 -0.13 2.00 2.04 -1.17 -0.81 117.51 119.60 2jmh h ILE 99 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2jmh h ILE 99 Cb 0.14 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2jmh h ILE 99 CO 0.00 0.00 0.09 0.17 0.00 0.00 0.00 178.15 178.41 2jmh h LEU 100 N -0.77 0.09 -0.17 1.44 8.10 -0.85 -1.90 115.31 121.25 2jmh h LEU 100 Ca -0.04 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.91 2jmh h LEU 100 Cb 0.66 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.85 2jmh h LEU 100 CO 0.01 0.06 -0.01 -0.07 -4.11 0.00 0.00 178.44 174.32 2jmh h LEU 101 N 0.11 0.31 -0.13 0.17 3.38 -0.17 -1.09 115.31 117.89 2jmh h LEU 101 Ca 0.06 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2jmh h LEU 101 Cb 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jmh h LEU 101 CO -0.01 0.56 0.06 0.11 0.09 0.00 0.00 178.44 179.25 2jmh h LYS 102 N 0.06 0.19 -0.60 1.13 1.57 -0.57 -1.17 116.57 117.17 2jmh h LYS 102 Ca 0.05 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2jmh h LYS 102 Cb 0.41 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 2jmh h LYS 102 CO 0.01 0.25 0.37 -0.44 -0.57 0.00 0.00 179.45 179.07 2jmh h ASP 103 N 0.08 0.61 -0.41 0.86 5.19 -1.37 -1.65 116.42 119.73 2jmh h ASP 103 Ca 0.04 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 2jmh h ASP 103 Cb 0.13 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2jmh h ASP 103 CO -0.01 0.43 0.23 0.25 -3.12 0.00 0.00 179.24 177.03 2jmh h LEU 104 N 0.74 0.51 0.20 1.55 6.46 -1.02 -1.44 115.31 122.30 2jmh h LEU 104 Ca 0.24 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2jmh h LEU 104 Cb 0.01 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 2jmh h LEU 104 CO -0.10 0.44 -0.21 0.11 -0.62 0.00 0.00 178.44 178.07 2jmh h LYS 105 N 0.54 -0.42 -0.29 1.25 6.56 -0.82 -1.24 116.57 122.15 2jmh h LYS 105 Ca 0.15 0.03 0.05 0.00 -1.06 0.00 0.00 60.65 59.82 2jmh h LYS 105 Cb 0.04 0.10 -0.05 0.00 -0.57 0.00 0.00 32.23 31.75 2jmh h LYS 105 CO -0.02 -0.28 -0.03 1.49 -2.06 0.00 0.00 179.45 178.54 2jmh h GLU 106 N -0.44 0.05 -0.13 3.15 4.57 -1.20 -1.39 114.58 119.19 2jmh h GLU 106 Ca 0.00 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2jmh h GLU 106 Cb 0.42 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.94 2jmh h GLU 106 CO -0.06 0.03 -0.22 1.15 -1.18 0.00 0.00 179.01 178.73 2jmh h THR 107 N 0.05 0.45 -0.35 0.32 2.02 -1.02 -1.41 112.91 112.97 2jmh h THR 107 Ca 0.14 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.38 2jmh h THR 107 Cb 0.20 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 2jmh h THR 107 CO -0.26 0.00 -0.01 -0.08 0.37 0.00 0.00 175.52 175.54 2jmh h GLU 108 N -0.28 0.09 -0.44 6.66 4.81 -0.85 -1.38 114.58 123.17 2jmh h GLU 108 Ca 0.10 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 2jmh h GLU 108 Cb 0.43 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.72 2jmh h GLU 108 CO -0.29 0.06 0.00 1.96 -0.73 0.00 0.00 179.01 180.01 2jmh h GLN 109 N 0.09 0.11 -0.23 1.92 1.08 -0.71 -0.93 115.11 116.45 2jmh h GLN 109 Ca 0.17 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.39 2jmh h GLN 109 Cb 0.24 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 2jmh h GLN 109 CO -0.29 0.07 0.08 -0.22 -0.95 0.00 0.00 178.83 177.52 2jmh h LYS 110 N 0.12 0.18 -0.76 1.46 1.63 -0.62 0.10 116.57 118.67 2jmh h LYS 110 Ca 0.22 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.10 2jmh h LYS 110 Cb 0.32 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.84 2jmh h LYS 110 CO -0.36 0.12 0.42 0.28 -3.45 0.00 0.00 179.45 176.45 2jmh h VAL 111 N 0.18 0.90 0.00 2.00 2.07 -0.52 -0.40 116.25 120.48 2jmh h VAL 111 Ca 0.10 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 2jmh h VAL 111 Cb 0.07 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 2jmh h VAL 111 CO -0.11 0.13 -0.49 0.11 0.02 0.00 0.00 177.57 177.23 2jmh h LYS 112 N 0.71 0.00 -0.32 1.57 1.57 -0.70 -3.15 116.57 116.26 2jmh h LYS 112 Ca 0.36 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.08 2jmh h LYS 112 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2jmh h LYS 112 CO -0.24 0.49 -0.05 0.22 -0.57 0.00 0.00 179.45 179.30 2jmh h ASP 113 N 0.00 0.59 -2.67 0.86 3.58 0.80 -3.44 116.42 116.15 2jmh h ASP 113 Ca -0.00 -0.35 -0.57 0.00 0.42 0.00 0.00 57.03 56.53 2jmh h ASP 113 Cb 0.98 -0.16 0.07 0.00 1.72 0.00 0.00 39.33 41.94 2jmh h ASP 113 CO 0.06 0.80 0.77 -0.38 -2.88 0.00 0.00 179.24 177.61 2jmh n ILE 114 N -4.49 0.57 -4.00 2.25 -0.00 -0.59 -4.98 119.36 108.12 2jmh n ILE 114 Ca -0.03 -0.14 -0.35 0.00 -0.00 0.00 0.00 62.75 62.23 2jmh n ILE 114 Cb 0.31 -1.64 -0.06 0.00 -0.00 0.00 0.00 39.64 38.24 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 0.14 3.30 0.18 0.38 -2.07 -1.26 -5.00 119.66 115.32 2jmh s GLN 115 Ca 0.71 -0.30 -0.01 0.00 -1.82 0.00 0.00 55.36 53.94 2jmh s GLN 115 Cb -0.61 -3.04 0.01 0.00 -1.09 0.00 0.00 33.01 28.27 2jmh s GLN 115 CO 0.44 0.71 0.25 0.25 -1.32 0.00 0.00 175.29 175.62 2jmh n THR 116 N 1.54 0.00 0.00 3.63 -2.24 -1.26 -4.90 114.28 111.05 2jmh n THR 116 Ca -0.16 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 2jmh n THR 116 Cb 0.54 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 2jmh n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50