#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmh h GLU 2 N 0.00 0.59 -6.21 -1.09 4.22 -2.13 -3.45 114.58 106.52 2jmh h GLU 2 Ca 0.00 -0.45 -0.52 0.00 0.08 0.00 0.00 59.36 58.47 2jmh h GLU 2 Cb 0.00 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2jmh h GLU 2 CO 0.00 1.07 -0.36 -3.38 -2.18 0.00 0.00 179.01 174.16 2jmh s HIS 3 N -3.81 3.48 0.32 0.92 -3.43 -1.26 -5.11 115.29 106.40 2jmh s HIS 3 Ca -0.12 0.25 0.02 0.00 -0.80 0.00 0.00 55.06 54.41 2jmh s HIS 3 Cb 0.07 -1.78 -0.03 0.00 -1.43 0.00 0.00 32.58 29.41 2jmh s HIS 3 CO 0.84 0.39 0.49 0.15 -2.00 0.00 0.00 174.74 174.61 2jmh s LYS 4 N -3.49 3.41 0.48 -0.38 1.02 -1.26 -5.08 119.74 114.44 2jmh s LYS 4 Ca 0.37 -0.54 -0.22 0.00 0.02 0.00 0.00 55.97 55.61 2jmh s LYS 4 Cb -0.11 -2.74 -0.07 0.00 -0.52 0.00 0.00 37.83 34.39 2jmh s LYS 4 CO 0.30 0.20 1.15 -1.25 -0.92 0.00 0.00 175.35 174.83 2jmh s PRO 5 N -4.21 3.65 1.13 -1.68 0.04 -1.26 -5.01 135.00 127.65 2jmh s PRO 5 Ca 0.39 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.98 2jmh s PRO 5 Cb -0.09 -2.29 0.14 0.00 0.04 0.00 0.00 34.50 32.30 2jmh s PRO 5 CO 0.34 -0.63 0.22 1.63 0.04 0.00 0.00 177.00 178.59 2jmh n LYS 6 N -0.72 -1.75 -0.03 4.56 4.01 -1.26 -4.98 118.16 117.99 2jmh n LYS 6 Ca 0.08 -0.49 -0.03 0.00 -0.51 0.00 0.00 58.31 57.36 2jmh n LYS 6 Cb 0.49 -1.80 -0.05 0.00 -0.51 0.00 0.00 35.03 33.16 2jmh n LYS 6 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2jmh n LYS 7 N -2.65 2.78 -4.05 1.97 2.85 -1.26 -5.04 118.16 112.76 2jmh n LYS 7 Ca 0.01 -0.01 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 2jmh n LYS 7 Cb 0.60 -1.18 -0.11 0.00 -0.65 0.00 0.00 35.03 33.69 2jmh n LYS 7 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 2jmh s ASP 8 N -3.80 0.74 -0.07 -5.58 1.47 -1.26 -5.09 116.67 103.08 2jmh s ASP 8 Ca -0.03 -0.54 -0.02 0.00 1.18 0.00 0.00 52.55 53.13 2jmh s ASP 8 Cb 0.02 0.05 -0.01 0.00 -0.34 0.00 0.00 42.92 42.64 2jmh s ASP 8 CO 0.28 -0.22 -0.04 0.44 0.68 0.00 0.00 175.17 176.31 2jmh h ASP 9 N 4.53 0.00 -2.08 2.11 3.32 -2.05 -3.48 116.42 118.77 2jmh h ASP 9 Ca -0.35 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 2jmh h ASP 9 Cb 1.20 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.51 2jmh h ASP 9 CO 0.41 0.38 -0.30 0.12 -1.72 0.00 0.00 179.24 178.13 2jmh s PHE 10 N -1.52 -1.07 -0.12 4.55 2.19 -1.26 -5.15 117.98 115.60 2jmh s PHE 10 Ca -0.04 1.70 -0.03 0.00 0.33 0.00 0.00 56.93 58.89 2jmh s PHE 10 Cb 0.01 0.45 -0.03 0.00 -1.31 0.00 0.00 43.02 42.13 2jmh s PHE 10 CO 0.05 -0.62 0.01 1.03 1.83 0.00 0.00 175.22 177.52 2jmh s ARG 11 N 2.72 3.34 -0.27 10.12 0.52 -1.26 -5.09 118.95 129.03 2jmh s ARG 11 Ca 0.02 -0.42 -0.08 0.00 -0.52 0.00 0.00 55.73 54.73 2jmh s ARG 11 Cb -0.13 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 2jmh s ARG 11 CO -0.16 0.52 0.09 -0.80 0.02 0.00 0.00 175.30 174.96 2jmh s ASN 12 N -0.36 5.21 0.38 0.23 0.01 -1.26 -5.09 114.94 114.06 2jmh s ASN 12 Ca 0.07 -0.36 0.04 0.00 -0.71 0.00 0.00 52.86 51.90 2jmh s ASN 12 Cb -0.12 -1.93 0.04 0.00 0.41 0.00 0.00 41.25 39.65 2jmh s ASN 12 CO 0.02 -0.10 0.33 -0.62 -1.51 0.00 0.00 177.10 175.23 2jmh n GLU 13 N 4.93 0.89 -3.21 -0.60 1.02 -1.26 -5.09 120.64 117.32 2jmh n GLU 13 Ca -0.15 -2.32 -0.41 0.00 -0.02 0.00 0.00 57.16 54.25 2jmh n GLU 13 Cb 0.50 0.17 -0.07 0.00 -0.02 0.00 0.00 31.44 32.02 2jmh n GLU 13 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2jmh s PHE 14 N -1.80 3.18 0.18 -0.32 0.40 -1.26 -4.93 117.98 113.44 2jmh s PHE 14 Ca 0.25 0.24 0.28 0.00 -0.60 0.00 0.00 56.93 57.11 2jmh s PHE 14 Cb -0.02 -2.96 1.20 0.00 0.51 0.00 0.00 43.02 41.74 2jmh s PHE 14 CO 0.16 -0.55 1.93 0.38 0.70 0.00 0.00 175.22 177.85 2jmh h ASP 15 N 8.43 0.00 -0.17 1.36 2.03 -2.00 -2.82 116.42 123.26 2jmh h ASP 15 Ca -0.28 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.07 2jmh h ASP 15 Cb 1.12 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 2jmh h ASP 15 CO 0.78 0.13 0.22 -0.74 -1.03 0.00 0.00 179.24 178.60 2jmh h HIS 16 N 0.00 0.00 -3.16 4.15 2.76 -2.03 -3.38 115.15 113.49 2jmh h HIS 16 Ca -0.00 0.00 -0.60 0.00 -2.20 0.00 0.00 60.37 57.56 2jmh h HIS 16 Cb 0.58 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.43 2jmh h HIS 16 CO 0.00 0.00 0.61 -1.17 -1.30 0.00 0.00 177.93 176.07 2jmh s LEU 17 N -7.34 4.04 0.07 0.26 2.96 -1.07 -4.94 118.68 112.66 2jmh s LEU 17 Ca -0.05 -0.34 -0.23 0.00 -0.22 0.00 0.00 54.13 53.29 2jmh s LEU 17 Cb 0.15 -2.84 -0.10 0.00 0.50 0.00 0.00 46.19 43.90 2jmh s LEU 17 CO 0.52 -1.27 1.37 0.25 -1.32 0.00 0.00 176.35 175.90 2jmh h LEU 18 N 11.10 -1.09 -0.80 -0.68 7.12 -1.89 -1.64 115.31 127.42 2jmh h LEU 18 Ca -0.26 0.12 0.19 0.00 0.13 0.00 0.00 57.88 58.06 2jmh h LEU 18 Cb 1.07 0.41 -0.14 0.00 -0.53 0.00 0.00 40.66 41.47 2jmh h LEU 18 CO 1.10 -0.36 0.02 0.40 -0.13 0.00 0.00 178.44 179.47 2jmh h ILE 19 N -0.48 0.29 -0.18 4.05 1.08 -1.94 0.34 117.51 120.67 2jmh h ILE 19 Ca 0.00 -0.03 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 2jmh h ILE 19 Cb 0.50 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 34.36 2jmh h ILE 19 CO -0.22 0.02 -0.24 -0.08 -0.69 0.00 0.00 178.15 176.94 2jmh h GLU 20 N 0.10 -0.27 -0.81 2.37 4.57 -1.71 0.19 114.58 119.01 2jmh h GLU 20 Ca 0.45 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.67 2jmh h GLU 20 Cb 0.82 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.43 2jmh h GLU 20 CO -0.71 -0.18 0.54 1.96 -1.18 0.00 0.00 179.01 179.44 2jmh h GLN 21 N -0.28 1.03 -0.05 1.92 4.20 -0.10 -1.31 115.11 120.51 2jmh h GLN 21 Ca 0.12 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2jmh h GLN 21 Cb 0.46 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 2jmh h GLN 21 CO -0.34 0.68 0.01 0.00 -0.67 0.00 0.00 178.83 178.51 2jmh h ALA 22 N 1.51 0.07 -0.95 3.87 0.00 0.13 -1.19 119.26 122.70 2jmh h ALA 22 Ca 0.31 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2jmh h ALA 22 Cb -0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2jmh h ALA 22 CO -0.08 -0.30 0.63 -0.91 0.00 0.00 0.00 179.25 178.58 2jmh h ASN 23 N -0.14 1.07 -0.45 0.00 -0.26 -0.34 -1.25 115.58 114.21 2jmh h ASN 23 Ca 0.02 -0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.68 2jmh h ASN 23 Cb 0.25 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 2jmh h ASN 23 CO 0.00 0.77 0.08 0.45 -1.06 0.00 0.00 177.43 177.66 2jmh h HIS 24 N 1.26 0.79 0.13 1.19 3.86 -1.14 0.14 115.15 121.39 2jmh h HIS 24 Ca 0.36 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2jmh h HIS 24 Cb -0.11 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.15 2jmh h HIS 24 CO -0.01 0.74 -0.06 0.00 0.86 0.00 0.00 177.93 179.47 2jmh h ALA 25 N 0.95 -0.17 -0.18 2.45 0.00 -0.76 -1.33 119.26 120.22 2jmh h ALA 25 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2jmh h ALA 25 Cb 0.38 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jmh h ALA 25 CO 0.01 -0.57 -0.13 -0.84 0.00 0.00 0.00 179.25 177.72 2jmh h ILE 26 N -0.23 1.19 0.26 0.00 3.07 -1.21 -1.57 117.51 119.02 2jmh h ILE 26 Ca -0.02 -0.85 -0.01 0.00 1.55 0.00 0.00 64.86 65.53 2jmh h ILE 26 Cb 0.18 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 2jmh h ILE 26 CO 0.03 0.27 -0.12 -0.08 -1.05 0.00 0.00 178.15 177.19 2jmh h GLU 27 N 0.28 -0.33 -0.16 0.16 4.57 -0.64 0.78 114.58 119.23 2jmh h GLU 27 Ca 0.05 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2jmh h GLU 27 Cb 0.41 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2jmh h GLU 27 CO 0.02 -0.07 0.09 -0.22 -1.18 0.00 0.00 179.01 177.65 2jmh h LYS 28 N -0.57 0.23 -0.37 1.92 3.64 -1.15 -1.15 116.57 119.12 2jmh h LYS 28 Ca -0.04 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2jmh h LYS 28 Cb 0.41 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2jmh h LYS 28 CO 0.06 0.23 0.12 0.78 -2.27 0.00 0.00 179.45 178.36 2jmh h GLY 29 N 0.16 0.58 0.99 5.01 0.00 -1.30 -1.34 103.07 107.17 2jmh h GLY 29 Ca 0.06 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 46.98 2jmh h GLY 29 CO -0.01 0.27 -0.31 -2.09 0.00 0.00 0.00 176.54 174.40 2jmh h GLU 30 N 0.53 0.72 0.29 4.80 4.81 -0.51 -0.71 114.58 124.50 2jmh h GLU 30 Ca 0.13 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 2jmh h GLU 30 Cb 0.17 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2jmh h GLU 30 CO -0.01 1.01 -0.14 1.25 -0.73 0.00 0.00 179.01 180.39 2jmh h HIS 31 N 0.46 -0.35 -0.89 0.92 2.76 -0.90 -0.92 115.15 116.22 2jmh h HIS 31 Ca 0.04 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2jmh h HIS 31 Cb 0.89 0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.92 2jmh h HIS 31 CO 0.07 -0.07 0.54 -0.56 -1.30 0.00 0.00 177.93 176.61 2jmh h GLN 32 N -0.63 1.21 -0.19 5.26 -0.00 -1.32 -1.70 115.11 117.74 2jmh h GLN 32 Ca -0.04 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.65 58.49 2jmh h GLN 32 Cb 0.45 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.48 27.66 2jmh h GLN 32 CO 0.06 0.84 0.08 1.25 -0.00 0.00 0.00 178.83 181.07 2jmh h LEU 33 N 1.23 0.26 -0.50 0.06 7.12 -1.06 0.25 115.31 122.67 2jmh h LEU 33 Ca 0.32 -0.15 0.01 0.00 0.13 0.00 0.00 57.88 58.19 2jmh h LEU 33 Cb -0.06 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 39.98 2jmh h LEU 33 CO -0.06 0.33 0.32 -0.07 -0.13 0.00 0.00 178.44 178.83 2jmh h LEU 34 N 0.16 0.54 -0.69 2.25 3.38 -0.87 0.62 115.31 120.71 2jmh h LEU 34 Ca 0.06 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2jmh h LEU 34 Cb 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jmh h LEU 34 CO -0.01 0.39 -0.36 0.22 0.09 0.00 0.00 178.44 178.77 2jmh h TYR 35 N 0.65 0.72 -0.01 1.13 5.03 -1.17 -2.89 116.97 120.42 2jmh h TYR 35 Ca 0.19 -0.20 -0.10 0.00 2.58 0.00 0.00 58.73 61.21 2jmh h TYR 35 Cb -0.04 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.07 2jmh h TYR 35 CO -0.05 0.89 -0.46 1.25 -1.32 0.00 0.00 178.16 178.47 2jmh h LEU 36 N 0.51 0.03 -1.51 2.82 6.46 -0.03 -2.95 115.31 120.64 2jmh h LEU 36 Ca 0.05 -0.01 0.22 0.00 -0.12 0.00 0.00 57.88 58.02 2jmh h LEU 36 Cb 0.86 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.71 2jmh h LEU 36 CO 0.07 0.48 0.62 -0.61 -0.62 0.00 0.00 178.44 178.38 2jmh h GLN 37 N 0.02 0.37 0.33 1.25 5.75 -0.66 -1.20 115.11 120.98 2jmh h GLN 37 Ca -0.00 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 2jmh h GLN 37 Cb 0.82 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.29 2jmh h GLN 37 CO 0.06 0.25 -0.16 0.45 -2.65 0.00 0.00 178.83 176.78 2jmh h HIS 38 N 0.38 -0.41 -0.88 3.99 3.86 -1.64 -1.25 115.15 119.21 2jmh h HIS 38 Ca 0.49 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.78 2jmh h HIS 38 Cb 1.27 0.14 -0.06 0.00 1.06 0.00 0.00 27.41 29.81 2jmh h HIS 38 CO -0.00 -0.13 0.57 1.96 0.86 0.00 0.00 177.93 181.19 2jmh h GLN 39 N -0.66 0.89 0.19 2.45 1.08 -1.40 -1.48 115.11 116.18 2jmh h GLN 39 Ca -0.05 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2jmh h GLN 39 Cb 0.47 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2jmh h GLN 39 CO 0.07 0.59 -0.09 1.25 -0.95 0.00 0.00 178.83 179.70 2jmh h LEU 40 N 0.91 -0.22 -0.39 1.46 7.12 -1.13 0.25 115.31 123.31 2jmh h LEU 40 Ca 0.40 -0.17 0.07 0.00 0.13 0.00 0.00 57.88 58.31 2jmh h LEU 40 Cb 0.33 0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 40.46 2jmh h LEU 40 CO -0.16 0.05 0.02 -0.78 -0.13 0.00 0.00 178.44 177.44 2jmh h ASP 41 N -0.50 -0.12 0.57 1.25 3.58 -0.79 -0.42 116.42 119.99 2jmh h ASP 41 Ca -0.03 0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 2jmh h ASP 41 Cb 0.38 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2jmh h ASP 41 CO 0.04 -0.03 -0.42 1.05 -2.88 0.00 0.00 179.24 177.00 2jmh h GLU 42 N 0.13 0.00 -0.43 0.28 4.11 -1.25 -2.97 114.58 114.44 2jmh h GLU 42 Ca 0.19 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.52 2jmh h GLU 42 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2jmh h GLU 42 CO -0.31 0.42 -0.16 1.25 0.07 0.00 0.00 179.01 180.28 2jmh h LEU 43 N 0.00 0.82 -0.96 3.06 6.46 0.10 0.28 115.31 125.07 2jmh h LEU 43 Ca -0.00 -0.27 0.16 0.00 -0.12 0.00 0.00 57.88 57.64 2jmh h LEU 43 Cb 0.82 -0.22 -0.10 0.00 -0.73 0.00 0.00 40.66 40.43 2jmh h LEU 43 CO 0.05 0.98 0.56 0.78 -0.62 0.00 0.00 178.44 180.20 2jmh h ASN 44 N 0.73 0.74 0.03 1.25 2.35 -0.97 0.30 115.58 120.01 2jmh h ASN 44 Ca 0.11 0.09 -0.27 0.00 -0.55 0.00 0.00 56.30 55.68 2jmh h ASN 44 Cb 0.67 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 2jmh h ASN 44 CO 0.05 0.30 -1.45 -0.62 -1.65 0.00 0.00 177.43 174.06 2jmh n GLU 45 N -4.77 0.61 -0.29 0.81 -0.58 -1.11 -4.19 120.64 111.11 2jmh n GLU 45 Ca 0.21 0.50 0.16 0.00 -0.42 0.00 0.00 57.16 57.61 2jmh n GLU 45 Cb 0.49 -1.73 0.43 0.00 -0.57 0.00 0.00 31.44 30.05 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2jmh h ASN 46 N -0.77 0.58 -4.89 1.62 2.35 -0.26 -3.45 115.58 110.77 2jmh h ASN 46 Ca -0.37 0.06 -0.30 0.00 -0.55 0.00 0.00 56.30 55.14 2jmh h ASN 46 Cb 1.47 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 39.74 2jmh h ASN 46 CO -0.15 0.23 -0.43 1.17 -1.65 0.00 0.00 177.43 176.60 2jmh n LYS 47 N -4.60 -2.93 -2.48 0.81 3.00 0.10 -4.87 118.16 107.19 2jmh n LYS 47 Ca 0.20 0.46 -0.42 0.00 -0.00 0.00 0.00 58.31 58.56 2jmh n LYS 47 Cb 0.62 -5.11 -0.03 0.00 0.00 0.00 0.00 35.03 30.51 2jmh n LYS 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2jmh s SER 48 N -2.43 7.07 0.41 3.14 0.15 -1.26 -4.82 113.70 115.97 2jmh s SER 48 Ca 0.23 1.79 0.10 0.00 0.70 0.00 0.00 55.95 58.78 2jmh s SER 48 Cb -0.12 -2.56 0.87 0.00 -1.71 0.00 0.00 66.02 62.50 2jmh s SER 48 CO 0.29 -0.56 1.97 0.07 1.20 0.00 0.00 173.24 176.20 2jmh h LYS 49 N 7.39 0.22 0.03 5.44 -0.00 -1.94 -1.12 116.57 126.59 2jmh h LYS 49 Ca -0.34 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.65 60.16 2jmh h LYS 49 Cb 1.16 -0.04 0.01 0.00 -0.00 0.00 0.00 32.23 33.37 2jmh h LYS 49 CO 0.87 0.31 -0.44 0.93 -0.00 0.00 0.00 179.45 181.12 2jmh h GLU 50 N 0.22 0.25 -0.86 0.07 5.08 -1.98 -1.58 114.58 115.79 2jmh h GLU 50 Ca 0.05 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2jmh h GLU 50 Cb 0.27 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2jmh h GLU 50 CO 0.01 1.04 0.57 1.25 -1.00 0.00 0.00 179.01 180.88 2jmh h LEU 51 N -0.40 0.99 -0.14 1.33 5.85 -1.92 -0.44 115.31 120.58 2jmh h LEU 51 Ca -0.06 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 2jmh h LEU 51 Cb 1.22 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2jmh h LEU 51 CO 0.09 0.72 -0.42 0.06 -0.34 0.00 0.00 178.44 178.54 2jmh h GLN 52 N 1.16 0.53 -0.67 1.25 -0.00 -1.30 -1.40 115.11 114.69 2jmh h GLN 52 Ca 0.31 -0.39 0.02 0.00 -0.00 0.00 0.00 58.65 58.59 2jmh h GLN 52 Cb -0.13 0.07 -0.04 0.00 -0.00 0.00 0.00 27.48 27.38 2jmh h GLN 52 CO -0.07 1.01 0.45 0.93 -0.00 0.00 0.00 178.83 181.15 2jmh h GLU 53 N 0.15 0.84 0.05 0.06 5.08 -1.02 -0.95 114.58 118.80 2jmh h GLU 53 Ca -0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2jmh h GLU 53 Cb 1.05 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2jmh h GLU 53 CO 0.09 0.56 -0.03 0.87 -1.00 0.00 0.00 179.01 179.50 2jmh h LYS 54 N 0.87 -0.07 -0.96 2.33 1.79 -1.07 -3.16 116.57 116.30 2jmh h LYS 54 Ca 0.26 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.90 2jmh h LYS 54 Cb -0.03 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 30.53 2jmh h LYS 54 CO -0.06 0.55 0.57 0.82 -1.08 0.00 0.00 179.45 180.24 2jmh h ILE 55 N -0.84 0.75 -0.59 1.86 2.04 -1.09 -0.37 117.51 119.28 2jmh h ILE 55 Ca -0.01 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.61 2jmh h ILE 55 Cb 0.65 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 2jmh h ILE 55 CO 0.01 0.14 0.36 0.40 0.00 0.00 0.00 178.15 179.06 2jmh h ILE 56 N 0.77 1.08 0.20 -0.67 2.04 -1.25 0.28 117.51 119.97 2jmh h ILE 56 Ca 0.53 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 2jmh h ILE 56 Cb 0.76 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2jmh h ILE 56 CO -0.36 0.13 -0.10 0.03 0.00 0.00 0.00 178.15 177.86 2jmh h ARG 57 N 0.72 -0.26 -0.07 2.37 -0.00 -1.07 0.18 114.38 116.24 2jmh h ARG 57 Ca 0.23 0.02 0.01 0.00 -0.50 0.00 0.00 59.98 59.74 2jmh h ARG 57 Cb 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.02 2jmh h ARG 57 CO -0.09 -0.00 0.00 1.49 0.00 0.00 0.00 179.97 181.37 2jmh h GLU 58 N -0.51 0.03 -0.06 0.04 4.81 -1.10 -1.25 114.58 116.54 2jmh h GLU 58 Ca -0.03 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2jmh h GLU 58 Cb 0.38 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2jmh h GLU 58 CO 0.05 0.02 -0.18 1.25 -0.73 0.00 0.00 179.01 179.41 2jmh h LEU 59 N 0.03 0.09 0.35 1.64 6.46 -0.45 -0.91 115.31 122.52 2jmh h LEU 59 Ca 0.03 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2jmh h LEU 59 Cb 0.04 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 2jmh h LEU 59 CO -0.05 0.28 -0.17 -0.78 -0.62 0.00 0.00 178.44 177.10 2jmh h ASP 60 N 0.09 -0.40 -0.79 1.25 3.58 0.03 0.27 116.42 120.45 2jmh h ASP 60 Ca 0.02 -0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 2jmh h ASP 60 Cb 0.38 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2jmh h ASP 60 CO 0.03 -0.07 0.31 -0.37 -2.88 0.00 0.00 179.24 176.26 2jmh h VAL 61 N -0.77 1.26 0.41 2.25 -1.51 -1.14 0.54 116.25 117.29 2jmh h VAL 61 Ca -0.05 -0.83 -0.02 0.00 -1.23 0.00 0.00 66.70 64.58 2jmh h VAL 61 Cb 0.52 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 2jmh h VAL 61 CO 0.08 0.34 -0.20 0.58 -1.23 0.00 0.00 177.57 177.14 2jmh h VAL 62 N 1.15 0.46 -0.00 7.19 2.07 -1.17 -1.62 116.25 124.33 2jmh h VAL 62 Ca 0.26 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2jmh h VAL 62 Cb 0.22 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2jmh h VAL 62 CO -0.02 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.65 2jmh h ALA 64 N 2.00 -0.50 -0.31 0.00 0.00 -0.80 0.32 119.26 119.97 2jmh h ALA 64 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2jmh h ALA 64 Cb 0.01 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jmh h ALA 64 CO -0.00 -0.51 0.10 0.00 0.00 0.00 0.00 179.25 178.84 2jmh h MET 65 N -1.05 0.43 -0.07 0.00 -0.00 -1.09 -1.50 114.93 111.66 2jmh h MET 65 Ca -0.05 -0.05 -0.06 0.00 -0.00 0.00 0.00 59.70 59.53 2jmh h MET 65 Cb 0.49 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 32.01 2jmh h MET 65 CO 0.08 0.38 -0.21 0.82 -0.00 0.00 0.00 176.91 177.99 2jmh h ILE 66 N 0.43 1.42 -0.14 -0.10 5.03 -0.99 -0.75 117.51 122.41 2jmh h ILE 66 Ca 0.11 -1.57 0.01 0.00 -0.12 0.00 0.00 64.86 63.29 2jmh h ILE 66 Cb 0.13 2.26 -0.01 0.00 -3.03 0.00 0.00 36.82 36.16 2jmh h ILE 66 CO -0.01 0.44 0.05 -0.33 -0.68 0.00 0.00 178.15 177.63 2jmh h GLU 67 N -0.22 0.12 0.11 2.37 4.39 -0.66 0.27 114.58 120.96 2jmh h GLU 67 Ca -0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2jmh h GLU 67 Cb 0.82 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2jmh h GLU 67 CO 0.04 0.08 -0.05 0.78 -1.16 0.00 0.00 179.01 178.70 2jmh h GLY 68 N 0.12 -0.16 0.85 -3.84 0.00 -1.35 -0.37 103.07 98.32 2jmh h GLY 68 Ca 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 2jmh h GLY 68 CO -0.05 -0.06 -0.30 0.00 0.00 0.00 0.00 176.54 176.13 2jmh h ALA 69 N 0.31 -0.76 -0.39 3.60 0.00 -1.09 -1.31 119.26 119.63 2jmh h ALA 69 Ca -0.02 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2jmh h ALA 69 Cb 0.41 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2jmh h ALA 69 CO 0.03 -0.94 0.15 0.37 0.00 0.00 0.00 179.25 178.85 2jmh h GLN 70 N -0.75 0.30 -0.19 0.00 4.15 -0.55 0.26 115.11 118.33 2jmh h GLN 70 Ca -0.05 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.40 2jmh h GLN 70 Cb 0.62 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 2jmh h GLN 70 CO 0.05 0.20 -0.15 0.78 -1.93 0.00 0.00 178.83 177.78 2jmh h GLY 71 N 0.31 -0.02 1.57 2.39 0.00 -0.90 0.19 103.07 106.61 2jmh h GLY 71 Ca 0.18 0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.57 2jmh h GLY 71 CO -0.17 -0.15 -0.35 0.00 0.00 0.00 0.00 176.54 175.86 2jmh h ALA 72 N 0.96 0.98 0.27 3.60 0.00 -0.94 -1.02 119.26 123.09 2jmh h ALA 72 Ca 0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2jmh h ALA 72 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jmh h ALA 72 CO -0.28 0.61 -0.13 -0.07 0.00 0.00 0.00 179.25 179.38 2jmh h LEU 73 N 0.41 -0.30 -0.22 0.00 -0.00 0.20 0.25 115.31 115.65 2jmh h LEU 73 Ca 0.04 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.86 2jmh h LEU 73 Cb 0.81 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.54 2jmh h LEU 73 CO 0.07 -0.18 -0.05 -0.33 -0.00 0.00 0.00 178.44 177.94 2jmh h GLU 74 N -0.40 0.42 0.00 1.13 4.39 -0.98 -1.18 114.58 117.96 2jmh h GLU 74 Ca -0.04 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 2jmh h GLU 74 Cb 0.30 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2jmh h GLU 74 CO 0.06 0.66 -0.07 -0.09 -1.16 0.00 0.00 179.01 178.42 2jmh h ARG 75 N 0.15 0.00 0.05 2.33 9.65 -1.14 0.15 114.38 125.57 2jmh h ARG 75 Ca 0.05 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2jmh h ARG 75 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2jmh h ARG 75 CO 0.02 0.07 -0.02 1.49 2.80 0.00 0.00 179.97 184.32 2jmh h GLU 76 N 0.00 -0.07 0.00 0.20 4.81 -0.28 -3.30 114.58 115.94 2jmh h GLU 76 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2jmh h GLU 76 Cb 0.13 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2jmh h GLU 76 CO 0.01 0.46 -0.12 1.37 -0.73 0.00 0.00 179.01 179.99 2jmh h LEU 77 N -0.95 0.00 -0.53 1.64 8.10 -1.07 -0.97 115.31 121.54 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 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.78 2jmh h LEU 77 CO 0.01 0.12 0.00 0.29 -4.11 0.00 0.00 178.44 174.76 2jmh n LYS 78 N -4.10 0.10 0.08 0.17 4.76 0.51 -3.32 118.16 116.37 2jmh n LYS 78 Ca -0.02 0.42 -0.15 0.00 -2.87 0.00 0.00 58.31 55.69 2jmh n LYS 78 Cb 0.21 -1.73 -0.08 0.00 -1.84 0.00 0.00 35.03 31.58 2jmh n LYS 78 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2jmh h ARG 79 N 0.00 -0.64 -1.94 1.97 9.65 -1.25 -3.44 114.38 118.73 2jmh h ARG 79 Ca 0.00 0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2jmh h ARG 79 Cb 0.22 0.14 -0.22 0.00 -1.39 0.00 0.00 29.97 28.73 2jmh h ARG 79 CO 0.00 -0.42 0.11 0.95 2.80 0.00 0.00 179.97 183.41 2jmh s THR 80 N -5.84 0.00 -0.25 0.20 -4.23 -1.21 -5.16 115.64 99.15 2jmh s THR 80 Ca -0.16 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.07 2jmh s THR 80 Cb 0.07 -1.00 0.17 0.00 1.34 0.00 0.00 72.50 73.08 2jmh s THR 80 CO 0.62 0.00 1.25 1.51 -0.54 0.00 0.00 174.62 177.46 2jmh s ASP 81 N 1.06 -0.17 -0.30 3.99 -4.77 -1.26 -5.00 116.67 110.22 2jmh s ASP 81 Ca -0.05 0.23 -0.08 0.00 -3.30 0.00 0.00 52.55 49.34 2jmh s ASP 81 Cb -0.05 0.20 0.18 0.00 -1.09 0.00 0.00 42.92 42.16 2jmh s ASP 81 CO -0.11 -0.12 0.89 -1.48 0.70 0.00 0.00 175.17 175.05 2jmh s LEU 82 N -0.71 -0.80 0.00 2.11 0.05 -1.26 -5.05 118.68 113.01 2jmh s LEU 82 Ca 0.05 0.46 0.00 0.00 0.05 0.00 0.00 54.13 54.69 2jmh s LEU 82 Cb -0.02 1.65 0.00 0.00 -2.05 0.00 0.00 46.19 45.77 2jmh s LEU 82 CO -0.07 -0.15 0.00 0.59 -0.55 0.00 0.00 176.35 176.17 2jmh n ASN 83 N 5.44 0.00 0.36 1.48 4.13 -1.26 -4.98 115.26 120.42 2jmh n ASN 83 Ca -0.04 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.05 2jmh n ASN 83 Cb 0.53 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.68 2jmh n ASN 83 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2jmh h ILE 84 N 0.03 0.30 -0.28 2.41 1.08 -2.02 0.25 117.51 119.27 2jmh h ILE 84 Ca 0.00 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 2jmh h ILE 84 Cb 0.00 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.08 2jmh h ILE 84 CO 0.00 0.02 0.12 0.25 -0.69 0.00 0.00 178.15 177.85 2jmh h LEU 85 N -1.00 0.38 -0.54 1.44 6.46 -1.99 -1.50 115.31 118.57 2jmh h LEU 85 Ca -0.09 -0.15 0.02 0.00 -0.12 0.00 0.00 57.88 57.55 2jmh h LEU 85 Cb 0.71 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 2jmh h LEU 85 CO 0.15 0.42 0.33 -0.33 -0.62 0.00 0.00 178.44 178.39 2jmh h GLU 86 N 0.31 0.63 -0.32 1.25 5.08 -1.94 -1.25 114.58 118.35 2jmh h GLU 86 Ca 0.10 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2jmh h GLU 86 Cb 0.15 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2jmh h GLU 86 CO -0.01 0.42 0.19 -0.09 -1.00 0.00 0.00 179.01 178.51 2jmh h ARG 87 N 0.65 0.44 0.43 2.33 9.65 -0.33 0.19 114.38 127.74 2jmh h ARG 87 Ca 0.22 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.04 2jmh h ARG 87 Cb 0.02 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 2jmh h ARG 87 CO -0.09 0.35 -0.31 0.35 2.80 0.00 0.00 179.97 183.07 2jmh h PHE 88 N 0.41 -0.82 -0.87 2.20 3.57 -0.93 0.18 116.94 120.68 2jmh h PHE 88 Ca 0.11 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 2jmh h PHE 88 Cb 0.03 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 2jmh h PHE 88 CO -0.04 -0.46 0.54 -0.91 -2.23 0.00 0.00 178.31 175.22 2jmh h ASN 89 N -0.73 1.03 -0.14 0.41 2.35 -1.17 -1.66 115.58 115.68 2jmh h ASN 89 Ca -0.04 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2jmh h ASN 89 Cb 0.61 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2jmh h ASN 89 CO 0.02 0.78 0.06 1.88 -1.65 0.00 0.00 177.43 178.51 2jmh h TYR 90 N 1.20 0.22 0.33 1.19 -1.99 -0.29 0.26 116.97 117.89 2jmh h TYR 90 Ca 0.32 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.02 2jmh h TYR 90 Cb -0.08 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 2jmh h TYR 90 CO 0.00 0.30 -0.21 1.49 -0.00 0.00 0.00 178.16 179.74 2jmh h GLU 91 N 0.08 -0.51 -0.30 4.88 4.81 -0.34 -1.26 114.58 121.95 2jmh h GLU 91 Ca 0.05 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2jmh h GLU 91 Cb 0.17 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2jmh h GLU 91 CO -0.00 -0.34 0.18 1.49 -0.73 0.00 0.00 179.01 179.60 2jmh h GLU 92 N -0.53 0.41 -0.35 1.92 4.81 -1.29 -0.80 114.58 118.76 2jmh h GLU 92 Ca -0.03 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2jmh h GLU 92 Cb 0.44 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.66 2jmh h GLU 92 CO 0.03 0.33 -0.16 0.00 -0.73 0.00 0.00 179.01 178.48 2jmh h ALA 93 N 1.06 0.12 -0.43 2.92 0.00 -0.33 -0.38 119.26 122.22 2jmh h ALA 93 Ca 0.11 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2jmh h ALA 93 Cb 0.03 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jmh h ALA 93 CO -0.02 -0.54 -0.05 1.96 0.00 0.00 0.00 179.25 180.61 2jmh h GLN 94 N -0.10 0.72 0.12 0.00 4.20 -1.06 -1.49 115.11 117.51 2jmh h GLN 94 Ca 0.18 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2jmh h GLN 94 Cb 0.37 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2jmh h GLN 94 CO -0.42 0.77 -0.11 1.15 -0.67 0.00 0.00 178.83 179.55 2jmh h THR 95 N 0.67 0.76 -0.38 -0.54 2.02 0.18 0.37 112.91 115.98 2jmh h THR 95 Ca 0.13 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.26 2jmh h THR 95 Cb 0.48 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2jmh h THR 95 CO 0.02 0.00 0.04 -0.07 0.37 0.00 0.00 175.52 175.88 2jmh h LEU 96 N -0.25 0.62 -0.49 2.58 3.38 -1.04 -1.63 115.31 118.48 2jmh h LEU 96 Ca 0.00 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2jmh h LEU 96 Cb 0.23 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2jmh h LEU 96 CO -0.02 0.75 0.23 0.77 0.09 0.00 0.00 178.44 180.25 2jmh h SER 97 N 0.48 0.30 0.03 -0.43 4.64 -1.10 0.13 113.55 117.61 2jmh h SER 97 Ca 0.11 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2jmh h SER 97 Cb 0.40 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2jmh h SER 97 CO 0.01 0.21 -0.02 0.11 -0.87 0.00 0.00 176.83 176.28 2jmh h LYS 98 N 0.44 -0.04 -0.37 4.77 1.57 -0.83 -1.01 116.57 121.11 2jmh h LYS 98 Ca 0.22 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 2jmh h LYS 98 Cb 0.16 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2jmh h LYS 98 CO -0.18 0.17 0.13 0.82 -0.57 0.00 0.00 179.45 179.82 2jmh h ILE 99 N -0.25 0.89 -0.43 1.86 2.04 -1.00 -1.41 117.51 119.22 2jmh h ILE 99 Ca -0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jmh h ILE 99 Cb 0.23 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2jmh h ILE 99 CO 0.01 0.05 0.28 0.25 0.00 0.00 0.00 178.15 178.74 2jmh h LEU 100 N 0.29 0.51 -0.32 1.44 7.12 -0.69 -1.51 115.31 122.15 2jmh h LEU 100 Ca 0.17 -0.03 0.05 0.00 0.13 0.00 0.00 57.88 58.20 2jmh h LEU 100 Cb 0.14 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 40.11 2jmh h LEU 100 CO -0.17 0.38 0.06 -0.07 -0.13 0.00 0.00 178.44 178.51 2jmh h LEU 101 N 0.58 0.00 0.26 2.25 3.38 -0.72 0.12 115.31 121.19 2jmh h LEU 101 Ca 0.16 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2jmh h LEU 101 Cb -0.04 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jmh h LEU 101 CO -0.03 0.04 -0.15 0.50 0.09 0.00 0.00 178.44 178.88 2jmh h LYS 102 N 0.17 -0.37 -0.70 1.13 3.64 -1.01 -1.27 116.57 118.16 2jmh h LYS 102 Ca 0.15 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.65 2jmh h LYS 102 Cb 0.17 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 2jmh h LYS 102 CO -0.20 -0.25 0.33 -0.44 -2.27 0.00 0.00 179.45 176.61 2jmh h ASP 103 N -0.39 0.40 0.06 4.20 3.32 -1.00 -1.32 116.42 121.69 2jmh h ASP 103 Ca -0.03 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2jmh h ASP 103 Cb 0.32 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 2jmh h ASP 103 CO 0.03 0.22 -0.05 0.25 -1.72 0.00 0.00 179.24 177.97 2jmh h LEU 104 N 0.55 -0.14 -0.80 1.55 5.85 -0.68 -0.93 115.31 120.71 2jmh h LEU 104 Ca 0.35 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.18 2jmh h LEU 104 Cb 0.40 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 2jmh h LEU 104 CO -0.29 -0.09 0.44 0.11 -0.34 0.00 0.00 178.44 178.28 2jmh h LYS 105 N -0.12 0.72 -0.53 1.25 1.79 -0.63 -0.16 116.57 118.88 2jmh h LYS 105 Ca 0.00 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 2jmh h LYS 105 Cb 0.12 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2jmh h LYS 105 CO -0.01 0.48 0.19 1.49 -1.08 0.00 0.00 179.45 180.52 2jmh h GLU 106 N 0.75 0.82 0.32 3.15 4.57 -0.89 -0.52 114.58 122.77 2jmh h GLU 106 Ca 0.39 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 2jmh h GLU 106 Cb 0.37 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2jmh h GLU 106 CO -0.25 0.73 -0.15 1.15 -1.18 0.00 0.00 179.01 179.31 2jmh h THR 107 N 0.73 0.71 -0.69 0.32 2.02 -0.22 -0.90 112.91 114.88 2jmh h THR 107 Ca 0.18 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.15 2jmh h THR 107 Cb 0.24 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 2jmh h THR 107 CO -0.01 0.05 0.46 1.05 0.37 0.00 0.00 175.52 177.43 2jmh h GLU 108 N -0.55 0.86 -0.47 6.66 4.11 -1.03 -1.26 114.58 122.90 2jmh h GLU 108 Ca -0.04 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 59.27 2jmh h GLU 108 Cb 0.41 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2jmh h GLU 108 CO 0.07 0.57 0.04 0.37 0.07 0.00 0.00 179.01 180.13 2jmh h GLN 109 N 0.88 0.79 -0.30 1.06 4.15 -0.88 -1.22 115.11 119.59 2jmh h GLN 109 Ca 0.26 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 2jmh h GLN 109 Cb -0.02 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2jmh h GLN 109 CO -0.07 0.83 0.06 0.87 -1.93 0.00 0.00 178.83 178.59 2jmh h LYS 110 N 0.65 0.49 0.53 1.69 1.79 -0.56 0.59 116.57 121.76 2jmh h LYS 110 Ca 0.14 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 2jmh h LYS 110 Cb 0.44 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.04 2jmh h LYS 110 CO 0.02 0.58 -0.26 0.28 -1.08 0.00 0.00 179.45 178.99 2jmh h VAL 111 N 0.32 0.47 -0.00 0.50 2.07 -1.18 -1.02 116.25 117.41 2jmh h VAL 111 Ca 0.09 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2jmh h VAL 111 Cb 0.32 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2jmh h VAL 111 CO 0.00 0.01 -0.08 0.07 0.02 0.00 0.00 177.57 177.59 2jmh h LYS 112 N -0.76 0.00 -0.31 1.57 2.10 -1.24 -2.44 116.57 115.50 2jmh h LYS 112 Ca -0.07 -0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.50 2jmh h LYS 112 Cb 0.57 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.89 2jmh h LYS 112 CO 0.12 0.09 -0.11 0.22 -2.00 0.00 0.00 179.45 177.77 2jmh h ASP 113 N 0.00 0.64 -2.20 7.07 3.58 -0.52 -3.43 116.42 121.56 2jmh h ASP 113 Ca 0.00 -0.38 -0.58 0.00 0.42 0.00 0.00 57.03 56.49 2jmh h ASP 113 Cb 0.15 -0.17 0.03 0.00 1.72 0.00 0.00 39.33 41.05 2jmh h ASP 113 CO 0.01 0.88 1.10 -0.38 -2.88 0.00 0.00 179.24 177.97 2jmh n ILE 114 N -4.43 0.53 -2.62 2.25 -0.00 -0.42 -4.93 119.36 109.75 2jmh n ILE 114 Ca -0.03 -0.10 -0.42 0.00 -0.00 0.00 0.00 62.75 62.21 2jmh n ILE 114 Cb 0.35 -1.98 -0.03 0.00 -0.00 0.00 0.00 39.64 37.98 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 3.62 4.50 0.24 0.38 -2.07 -1.26 -4.99 119.66 120.08 2jmh s GLN 115 Ca 0.89 1.52 -0.10 0.00 -1.82 0.00 0.00 55.36 55.85 2jmh s GLN 115 Cb -0.60 -3.45 -0.01 0.00 -1.09 0.00 0.00 33.01 27.86 2jmh s GLN 115 CO 0.46 -0.15 0.41 0.95 -1.32 0.00 0.00 175.29 175.64 2jmh s THR 116 N 1.20 0.00 -1.20 3.63 -4.23 -1.26 -4.96 115.64 108.81 2jmh s THR 116 Ca 0.54 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 2jmh s THR 116 Cb -0.23 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.33 2jmh s THR 116 CO 0.27 0.00 0.30 0.00 -0.54 0.00 0.00 174.62 174.65