#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 2.03 0.10 -1.09 4.04 -1.26 -5.17 118.70 117.35 2jmh s GLU 2 Ca 0.00 -2.27 0.05 0.00 0.04 0.00 0.00 54.97 52.79 2jmh s GLU 2 Cb 0.00 -0.74 -0.03 0.00 0.02 0.00 0.00 34.13 33.38 2jmh s GLU 2 CO 0.00 -0.51 -0.13 -1.01 -1.84 0.00 0.00 175.26 171.77 2jmh s HIS 3 N -3.12 1.21 0.40 4.83 3.76 -1.26 -5.16 115.29 115.96 2jmh s HIS 3 Ca 0.18 -0.56 -0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2jmh s HIS 3 Cb 0.01 -0.66 -0.03 0.00 1.11 0.00 0.00 32.58 33.01 2jmh s HIS 3 CO 0.12 0.07 0.64 0.15 -0.85 0.00 0.00 174.74 174.87 2jmh s LYS 4 N -2.39 3.44 0.12 1.40 1.02 -1.26 -5.10 119.74 116.96 2jmh s LYS 4 Ca 0.04 -0.19 -0.02 0.00 0.02 0.00 0.00 55.97 55.82 2jmh s LYS 4 Cb -0.06 -2.56 0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2jmh s LYS 4 CO 0.02 -0.03 0.10 -0.35 -0.92 0.00 0.00 175.35 174.17 2jmh n PRO 5 N -1.98 -1.23 -3.75 -1.68 -0.04 -1.26 -5.06 135.00 120.00 2jmh n PRO 5 Ca -0.02 -0.16 -0.20 0.00 -0.04 0.00 0.00 63.50 63.07 2jmh n PRO 5 Cb 0.56 -0.15 -0.01 0.00 -0.04 0.00 0.00 33.50 33.85 2jmh n PRO 5 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jmh s LYS 6 N -3.23 3.29 0.20 0.54 -0.14 -1.26 -5.12 119.74 114.01 2jmh s LYS 6 Ca 0.07 -0.88 0.03 0.00 -1.36 0.00 0.00 55.97 53.83 2jmh s LYS 6 Cb -0.01 -2.85 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 2jmh s LYS 6 CO 0.05 0.26 0.33 0.21 -0.76 0.00 0.00 175.35 175.45 2jmh s LYS 7 N -4.07 3.45 -0.51 1.68 2.20 -1.26 -5.00 119.74 116.23 2jmh s LYS 7 Ca 0.39 -0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 55.08 2jmh s LYS 7 Cb -0.09 -2.91 -0.10 0.00 -1.51 0.00 0.00 37.83 33.21 2jmh s LYS 7 CO 0.30 0.46 2.39 -0.25 -0.36 0.00 0.00 175.35 177.89 2jmh n ASP 8 N -0.93 2.03 -0.37 1.43 9.92 -1.26 -4.80 116.55 122.57 2jmh n ASP 8 Ca -0.07 -0.09 -0.01 0.00 -0.53 0.00 0.00 54.79 54.09 2jmh n ASP 8 Cb 0.55 -1.39 0.13 0.00 -0.64 0.00 0.00 41.12 39.77 2jmh n ASP 8 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 2jmh h ASP 9 N 16.04 1.12 -5.14 -2.24 2.03 -2.06 -3.46 116.42 122.70 2jmh h ASP 9 Ca -0.24 -0.02 -0.28 0.00 -0.73 0.00 0.00 57.03 55.76 2jmh h ASP 9 Cb 1.28 -0.27 0.15 0.00 -0.83 0.00 0.00 39.33 39.67 2jmh h ASP 9 CO 1.14 0.78 -0.66 0.33 -1.03 0.00 0.00 179.24 179.80 2jmh n PHE 10 N -4.42 -1.88 -4.78 4.15 7.35 -1.26 -5.03 117.46 111.59 2jmh n PHE 10 Ca 0.13 0.81 -0.25 0.00 -0.76 0.00 0.00 57.45 57.37 2jmh n PHE 10 Cb 0.06 -4.65 -0.16 0.00 0.35 0.00 0.00 39.48 35.08 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 -5.16 1.61 0.19 -4.13 1.81 -1.26 -5.13 118.95 106.87 2jmh s ARG 11 Ca 0.00 -0.58 -0.24 0.00 -1.72 0.00 0.00 55.73 53.20 2jmh s ARG 11 Cb -0.00 -1.43 0.05 0.00 -0.45 0.00 0.00 34.95 33.12 2jmh s ARG 11 CO 0.63 0.26 0.86 -0.80 -0.68 0.00 0.00 175.30 175.56 2jmh s ASN 12 N -0.04 -0.23 0.11 0.23 0.01 -1.26 -5.18 114.94 108.57 2jmh s ASN 12 Ca -0.01 -0.44 0.05 0.00 -0.71 0.00 0.00 52.86 51.74 2jmh s ASN 12 Cb -0.10 0.57 -0.04 0.00 0.41 0.00 0.00 41.25 42.09 2jmh s ASN 12 CO 0.01 -1.05 -0.12 -1.61 -1.51 0.00 0.00 177.10 172.83 2jmh s GLU 13 N -3.51 0.91 -0.02 -0.60 2.02 -1.26 -5.05 118.70 111.19 2jmh s GLU 13 Ca 0.11 -1.17 0.03 0.00 0.02 0.00 0.00 54.97 53.96 2jmh s GLU 13 Cb -0.03 -0.71 -0.04 0.00 0.10 0.00 0.00 34.13 33.45 2jmh s GLU 13 CO 0.03 0.13 0.02 1.97 0.02 0.00 0.00 175.26 177.42 2jmh n PHE 14 N 0.61 0.00 -0.04 1.61 1.16 -1.26 -4.72 117.46 114.82 2jmh n PHE 14 Ca -0.16 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.34 2jmh n PHE 14 Cb 0.57 -0.13 -0.02 0.00 -1.61 0.00 0.00 39.48 38.29 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 -0.66 -3.26 5.98 5.19 -2.00 -3.45 116.42 118.22 2jmh h ASP 15 Ca -0.07 0.12 -0.39 0.00 -0.62 0.00 0.00 57.03 56.08 2jmh h ASP 15 Cb 1.02 0.32 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 2jmh h ASP 15 CO 0.00 -0.25 -0.51 1.41 -3.12 0.00 0.00 179.24 176.78 2jmh n HIS 16 N -5.35 -1.14 -2.29 4.55 8.25 -1.26 -4.97 115.22 113.01 2jmh n HIS 16 Ca -0.01 0.04 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 2jmh n HIS 16 Cb 0.27 -3.81 0.16 0.00 1.12 0.00 0.00 29.99 27.73 2jmh n HIS 16 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jmh s LEU 17 N -6.02 2.85 0.00 2.41 1.43 -1.26 -4.80 118.68 113.28 2jmh s LEU 17 Ca 0.02 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2jmh s LEU 17 Cb -0.01 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2jmh s LEU 17 CO 0.03 -2.41 0.78 0.18 0.23 0.00 0.00 176.35 175.16 2jmh n LEU 18 N -3.35 0.00 -0.23 1.79 4.77 -1.26 -0.60 117.00 118.11 2jmh n LEU 18 Ca 0.16 0.78 0.07 0.00 -0.03 0.00 0.00 56.01 57.00 2jmh n LEU 18 Cb 0.60 -0.28 0.33 0.00 -2.33 0.00 0.00 43.42 41.74 2jmh n LEU 18 CO 0.43 -0.28 1.23 0.40 -1.33 0.00 0.00 177.39 177.83 2jmh h ILE 19 N 0.00 0.99 0.14 -0.08 1.08 -1.98 -1.04 117.51 116.63 2jmh h ILE 19 Ca 0.00 -0.28 0.01 0.00 -0.39 0.00 0.00 64.86 64.20 2jmh h ILE 19 Cb 0.00 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 33.84 2jmh h ILE 19 CO 0.00 0.15 -0.19 -0.33 -0.69 0.00 0.00 178.15 177.09 2jmh h GLU 20 N 0.81 -0.37 -0.69 2.37 4.39 -1.94 0.20 114.58 119.35 2jmh h GLU 20 Ca 0.36 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 60.02 2jmh h GLU 20 Cb 0.34 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 2jmh h GLU 20 CO -0.14 -0.24 0.18 0.37 -1.16 0.00 0.00 179.01 178.02 2jmh h GLN 21 N -0.38 1.09 -0.05 2.33 -0.00 -0.36 -1.31 115.11 116.42 2jmh h GLN 21 Ca 0.02 -0.25 -0.00 0.00 -0.00 0.00 0.00 58.65 58.42 2jmh h GLN 21 Cb 0.38 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 27.71 2jmh h GLN 21 CO -0.08 0.95 0.02 0.00 0.00 0.00 0.00 178.83 179.72 2jmh h ALA 22 N 1.16 0.06 -0.53 3.38 0.00 -0.83 0.14 119.26 122.64 2jmh h ALA 22 Ca 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jmh h ALA 22 Cb 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jmh h ALA 22 CO -0.00 -0.39 0.25 -0.91 0.00 0.00 0.00 179.25 178.21 2jmh h ASN 23 N -0.03 0.69 -0.29 0.00 2.35 -0.49 -1.42 115.58 116.39 2jmh h ASN 23 Ca 0.02 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 2jmh h ASN 23 Cb 0.10 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2jmh h ASN 23 CO -0.00 0.62 -0.05 -0.74 -1.65 0.00 0.00 177.43 175.61 2jmh h HIS 24 N 0.70 0.71 0.07 1.19 2.76 -1.11 -0.41 115.15 119.06 2jmh h HIS 24 Ca 0.18 -0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2jmh h HIS 24 Cb 0.12 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.88 2jmh h HIS 24 CO -0.01 0.70 -0.03 0.00 -1.30 0.00 0.00 177.93 177.29 2jmh h ALA 25 N 1.33 -0.09 -0.26 5.26 0.00 -0.34 -1.47 119.26 123.70 2jmh h ALA 25 Ca 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2jmh h ALA 25 Cb 0.46 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jmh h ALA 25 CO 0.02 -0.41 -0.15 -0.84 0.00 0.00 0.00 179.25 177.88 2jmh h ILE 26 N -0.38 1.23 0.42 0.00 3.07 -1.19 -1.21 117.51 119.45 2jmh h ILE 26 Ca -0.01 -1.03 -0.02 0.00 1.55 0.00 0.00 64.86 65.35 2jmh h ILE 26 Cb 0.33 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 2jmh h ILE 26 CO 0.01 0.33 -0.20 -0.33 -1.05 0.00 0.00 178.15 176.91 2jmh h GLU 27 N 0.41 -0.54 -0.16 0.16 4.39 -0.98 0.69 114.58 118.55 2jmh h GLU 27 Ca 0.07 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2jmh h GLU 27 Cb 0.51 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2jmh h GLU 27 CO 0.03 -0.25 0.11 -0.22 -1.16 0.00 0.00 179.01 177.52 2jmh h LYS 28 N -0.81 0.21 -0.36 2.33 3.64 -1.23 -1.05 116.57 119.30 2jmh h LYS 28 Ca -0.06 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2jmh h LYS 28 Cb 0.54 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2jmh h LYS 28 CO 0.09 0.15 0.12 0.78 -2.27 0.00 0.00 179.45 178.32 2jmh h GLY 29 N 0.21 0.55 1.02 5.01 0.00 -1.25 -1.16 103.07 107.46 2jmh h GLY 29 Ca 0.06 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 2jmh h GLY 29 CO -0.01 0.25 -0.33 -2.09 0.00 0.00 0.00 176.54 174.36 2jmh h GLU 30 N 0.51 0.77 0.30 4.80 4.81 -0.42 -0.94 114.58 124.41 2jmh h GLU 30 Ca 0.12 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2jmh h GLU 30 Cb 0.15 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2jmh h GLU 30 CO -0.01 1.04 -0.15 0.45 -0.73 0.00 0.00 179.01 179.61 2jmh h HIS 31 N 0.53 -0.38 -0.70 0.92 3.86 -0.86 -0.98 115.15 117.54 2jmh h HIS 31 Ca 0.05 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2jmh h HIS 31 Cb 0.91 0.13 -0.04 0.00 1.06 0.00 0.00 27.41 29.47 2jmh h HIS 31 CO 0.07 -0.06 0.44 -0.56 0.86 0.00 0.00 177.93 178.68 2jmh h GLN 32 N -0.72 0.84 0.09 2.45 -0.00 -1.29 -1.78 115.11 114.69 2jmh h GLN 32 Ca -0.04 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.55 2jmh h GLN 32 Cb 0.49 -0.19 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 2jmh h GLN 32 CO 0.07 0.56 -0.04 1.25 -0.00 0.00 0.00 178.83 180.66 2jmh h LEU 33 N 0.87 -0.10 -0.82 0.06 7.12 -1.16 0.20 115.31 121.47 2jmh h LEU 33 Ca 0.28 -0.03 0.10 0.00 0.13 0.00 0.00 57.88 58.36 2jmh h LEU 33 Cb 0.00 0.03 -0.08 0.00 -0.53 0.00 0.00 40.66 40.08 2jmh h LEU 33 CO -0.10 -0.04 0.46 -0.07 -0.13 0.00 0.00 178.44 178.56 2jmh h LEU 34 N -0.16 0.63 -0.63 2.25 3.38 -0.90 0.24 115.31 120.13 2jmh h LEU 34 Ca -0.01 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 2jmh h LEU 34 Cb 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2jmh h LEU 34 CO 0.02 0.35 -0.61 0.22 0.09 0.00 0.00 178.44 178.51 2jmh h TYR 35 N 0.75 0.35 -0.01 1.13 5.03 -1.04 -3.02 116.97 120.16 2jmh h TYR 35 Ca 0.41 -0.13 -0.10 0.00 2.58 0.00 0.00 58.73 61.49 2jmh h TYR 35 Cb 0.41 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 2jmh h TYR 35 CO -0.07 0.81 -0.45 1.25 -1.32 0.00 0.00 178.16 178.37 2jmh h LEU 36 N 0.20 0.01 -1.14 2.82 7.12 0.82 -3.00 115.31 122.15 2jmh h LEU 36 Ca -0.01 -0.01 0.20 0.00 0.13 0.00 0.00 57.88 58.20 2jmh h LEU 36 Cb 1.12 -0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 41.14 2jmh h LEU 36 CO 0.10 0.47 0.62 -0.61 -0.13 0.00 0.00 178.44 178.88 2jmh h GLN 37 N 0.01 0.64 0.34 1.25 4.15 -0.87 -1.26 115.11 119.36 2jmh h GLN 37 Ca -0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 2jmh h GLN 37 Cb 0.81 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.36 2jmh h GLN 37 CO 0.06 0.42 -0.16 1.25 -1.93 0.00 0.00 178.83 178.47 2jmh h HIS 38 N 0.66 -0.42 -0.89 3.99 2.76 -1.67 -1.14 115.15 118.43 2jmh h HIS 38 Ca 0.57 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.86 2jmh h HIS 38 Cb 1.03 0.14 -0.09 0.00 1.55 0.00 0.00 27.41 30.04 2jmh h HIS 38 CO -0.00 -0.16 0.49 1.96 -1.30 0.00 0.00 177.93 178.92 2jmh h GLN 39 N -0.63 0.71 -0.19 5.26 1.08 -1.41 -1.34 115.11 118.58 2jmh h GLN 39 Ca -0.05 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 2jmh h GLN 39 Cb 0.46 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2jmh h GLN 39 CO 0.08 0.47 0.04 1.25 -0.95 0.00 0.00 178.83 179.72 2jmh h LEU 40 N 0.73 0.29 -0.53 1.46 6.46 -1.14 0.25 115.31 122.81 2jmh h LEU 40 Ca 0.47 -0.23 0.08 0.00 -0.12 0.00 0.00 57.88 58.08 2jmh h LEU 40 Cb 0.61 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.39 2jmh h LEU 40 CO -0.33 0.44 0.18 -0.78 -0.62 0.00 0.00 178.44 177.33 2jmh h ASP 41 N 0.12 0.16 0.82 1.25 3.58 -0.23 0.14 116.42 122.26 2jmh h ASP 41 Ca 0.06 0.07 -0.14 0.00 0.42 0.00 0.00 57.03 57.44 2jmh h ASP 41 Cb 0.27 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 2jmh h ASP 41 CO 0.00 0.11 -0.66 1.05 -2.88 0.00 0.00 179.24 176.86 2jmh h GLU 42 N 0.35 0.00 -0.02 0.28 4.11 -1.18 -3.11 114.58 115.00 2jmh h GLU 42 Ca 0.26 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.58 2jmh h GLU 42 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2jmh h GLU 42 CO -0.28 0.66 -0.53 1.25 0.07 0.00 0.00 179.01 180.18 2jmh h LEU 43 N 0.00 0.06 -1.08 3.06 7.12 0.73 0.12 115.31 125.32 2jmh h LEU 43 Ca -0.01 -0.03 0.01 0.00 0.13 0.00 0.00 57.88 57.98 2jmh h LEU 43 Cb 1.24 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 41.31 2jmh h LEU 43 CO 0.09 0.58 0.61 0.78 -0.13 0.00 0.00 178.44 180.36 2jmh h ASN 44 N 0.05 1.06 0.03 1.25 -0.26 -0.70 0.27 115.58 117.29 2jmh h ASN 44 Ca -0.00 -0.03 -0.27 0.00 -0.56 0.00 0.00 56.30 55.44 2jmh h ASN 44 Cb 0.95 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.91 2jmh h ASN 44 CO 0.07 0.78 -1.47 1.21 -1.06 0.00 0.00 177.43 176.96 2jmh n GLU 45 N -4.39 0.62 -0.17 0.81 2.13 -1.15 -4.21 120.64 114.27 2jmh n GLU 45 Ca 0.11 0.49 0.06 0.00 0.66 0.00 0.00 57.16 58.48 2jmh n GLU 45 Cb 0.02 -1.74 0.35 0.00 0.27 0.00 0.00 31.44 30.34 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2jmh h ASN 46 N -0.71 0.67 -5.49 4.31 4.21 -0.76 -3.45 115.58 114.35 2jmh h ASN 46 Ca -0.37 -0.00 -0.40 0.00 1.21 0.00 0.00 56.30 56.73 2jmh h ASN 46 Cb 1.51 -0.15 -0.06 0.00 -1.12 0.00 0.00 38.32 38.50 2jmh h ASN 46 CO -0.13 0.44 -0.60 0.29 -1.29 0.00 0.00 177.43 176.14 2jmh n LYS 47 N -4.47 -3.86 -2.43 0.81 4.76 0.93 -4.88 118.16 109.01 2jmh n LYS 47 Ca 0.10 0.54 -0.42 0.00 -2.87 0.00 0.00 58.31 55.66 2jmh n LYS 47 Cb 0.20 -5.30 -0.03 0.00 -1.84 0.00 0.00 35.03 28.06 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 -2.82 7.00 0.31 4.39 0.15 -1.26 -4.60 113.70 116.87 2jmh s SER 48 Ca 0.44 1.79 -0.01 0.00 0.70 0.00 0.00 55.95 58.87 2jmh s SER 48 Cb -0.23 -2.55 0.48 0.00 -1.71 0.00 0.00 66.02 62.01 2jmh s SER 48 CO 0.54 -0.65 1.93 0.07 1.20 0.00 0.00 173.24 176.33 2jmh h LYS 49 N 7.74 0.94 0.18 5.44 2.10 -1.93 -0.53 116.57 130.52 2jmh h LYS 49 Ca -0.32 -0.10 -0.01 0.00 -2.00 0.00 0.00 60.65 58.23 2jmh h LYS 49 Cb 1.14 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 2jmh h LYS 49 CO 0.91 0.69 -0.09 0.93 -2.00 0.00 0.00 179.45 179.89 2jmh h GLU 50 N 0.95 -0.24 -0.67 0.07 4.39 -1.97 -1.25 114.58 115.88 2jmh h GLU 50 Ca 0.24 0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.01 2jmh h GLU 50 Cb 0.01 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 2jmh h GLU 50 CO -0.04 0.13 0.44 1.25 -1.16 0.00 0.00 179.01 179.63 2jmh h LEU 51 N -0.65 0.62 0.47 1.33 5.85 -1.93 -0.28 115.31 120.72 2jmh h LEU 51 Ca -0.03 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2jmh h LEU 51 Cb 0.47 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2jmh h LEU 51 CO 0.04 0.41 -0.23 -0.61 -0.34 0.00 0.00 178.44 177.72 2jmh h GLN 52 N 0.71 -0.61 -0.60 1.25 4.15 -1.05 -0.96 115.11 118.00 2jmh h GLN 52 Ca 0.28 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.88 2jmh h GLN 52 Cb 0.20 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 2jmh h GLN 52 CO -0.09 -0.32 0.41 0.93 -1.93 0.00 0.00 178.83 177.83 2jmh h GLU 53 N -1.06 0.23 -0.07 1.69 5.08 -1.02 0.13 114.58 119.56 2jmh h GLU 53 Ca -0.06 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2jmh h GLU 53 Cb 0.57 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2jmh h GLU 53 CO 0.11 0.15 -0.19 0.87 -1.00 0.00 0.00 179.01 178.95 2jmh h LYS 54 N 0.24 0.25 -0.42 2.33 1.79 -1.01 -2.22 116.57 117.53 2jmh h LYS 54 Ca 0.29 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.54 2jmh h LYS 54 Cb 0.81 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.47 2jmh h LYS 54 CO -0.06 0.79 0.10 0.82 -1.08 0.00 0.00 179.45 180.01 2jmh h ILE 55 N -0.24 1.23 -0.63 1.86 2.04 -0.19 -1.18 117.51 120.39 2jmh h ILE 55 Ca -0.00 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 2jmh h ILE 55 Cb 0.79 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2jmh h ILE 55 CO 0.04 0.28 0.38 0.40 0.00 0.00 0.00 178.15 179.25 2jmh h ILE 56 N 0.55 1.19 0.21 -0.67 2.04 -0.85 0.28 117.51 120.25 2jmh h ILE 56 Ca 0.13 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2jmh h ILE 56 Cb 0.33 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2jmh h ILE 56 CO 0.00 0.19 -0.10 0.03 0.00 0.00 0.00 178.15 178.28 2jmh h ARG 57 N 0.86 -0.27 -0.26 2.37 -0.00 -1.26 0.19 114.38 116.01 2jmh h ARG 57 Ca 0.23 0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.72 2jmh h ARG 57 Cb -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.00 2jmh h ARG 57 CO -0.04 -0.01 0.16 0.93 0.00 0.00 0.00 179.97 181.01 2jmh h GLU 58 N -0.51 0.36 -0.04 0.04 5.08 -1.11 -1.12 114.58 117.28 2jmh h GLU 58 Ca -0.03 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2jmh h GLU 58 Cb 0.38 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2jmh h GLU 58 CO 0.05 0.27 -0.25 1.25 -1.00 0.00 0.00 179.01 179.33 2jmh h LEU 59 N 0.34 0.06 0.28 1.33 5.85 -0.44 -0.86 115.31 121.87 2jmh h LEU 59 Ca 0.09 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2jmh h LEU 59 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2jmh h LEU 59 CO -0.02 0.32 -0.13 -0.78 -0.34 0.00 0.00 178.44 177.48 2jmh h ASP 60 N 0.06 -0.32 -0.76 1.25 1.82 -0.05 0.74 116.42 119.16 2jmh h ASP 60 Ca 0.01 -0.21 -0.02 0.00 -0.39 0.00 0.00 57.03 56.42 2jmh h ASP 60 Cb 0.47 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.53 2jmh h ASP 60 CO 0.03 0.10 0.39 -0.37 -1.61 0.00 0.00 179.24 177.78 2jmh h VAL 61 N -0.80 1.24 0.44 2.25 -1.51 -1.15 0.57 116.25 117.29 2jmh h VAL 61 Ca -0.04 -0.63 -0.02 0.00 -1.23 0.00 0.00 66.70 64.78 2jmh h VAL 61 Cb 0.51 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 2jmh h VAL 61 CO 0.06 0.27 -0.21 0.58 -1.23 0.00 0.00 177.57 177.05 2jmh h VAL 62 N 1.07 0.47 -0.07 7.19 2.07 -1.19 -1.64 116.25 124.14 2jmh h VAL 62 Ca 0.27 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2jmh h VAL 62 Cb 0.08 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2jmh h VAL 62 CO -0.04 0.07 0.05 0.00 0.02 0.00 0.00 177.57 177.68 2jmh h ALA 64 N 1.96 -0.57 -0.86 0.00 0.00 -0.76 -0.52 119.26 118.51 2jmh h ALA 64 Ca 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2jmh h ALA 64 Cb 0.14 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2jmh h ALA 64 CO -0.00 -0.58 0.46 0.00 0.00 0.00 0.00 179.25 179.13 2jmh h MET 65 N -1.06 1.20 -0.19 0.00 -0.00 -1.06 -1.10 114.93 112.72 2jmh h MET 65 Ca -0.06 -0.15 -0.02 0.00 -0.00 0.00 0.00 59.70 59.47 2jmh h MET 65 Cb 0.53 -0.23 -0.01 0.00 -0.00 0.00 0.00 31.60 31.89 2jmh h MET 65 CO 0.10 0.89 0.04 0.82 -0.00 0.00 0.00 176.91 178.76 2jmh h ILE 66 N 1.21 1.21 -0.89 -0.10 5.03 -0.93 -1.45 117.51 121.58 2jmh h ILE 66 Ca 0.30 -0.68 -0.02 0.00 -0.12 0.00 0.00 64.86 64.34 2jmh h ILE 66 Cb 0.05 1.31 -0.04 0.00 -3.03 0.00 0.00 36.82 35.10 2jmh h ILE 66 CO -0.05 0.21 0.48 -0.33 -0.68 0.00 0.00 178.15 177.79 2jmh h GLU 67 N 0.11 1.25 0.20 2.37 5.08 -0.86 0.31 114.58 123.03 2jmh h GLU 67 Ca 0.06 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2jmh h GLU 67 Cb 0.28 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2jmh h GLU 67 CO 0.00 0.92 -0.10 0.78 -1.00 0.00 0.00 179.01 179.61 2jmh h GLY 68 N 1.25 -0.28 0.65 -3.84 0.00 -1.07 -0.09 103.07 99.69 2jmh h GLY 68 Ca 0.31 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 2jmh h GLY 68 CO -0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 176.54 176.33 2jmh h ALA 69 N 0.23 -0.15 -0.76 3.60 0.00 -1.18 -1.20 119.26 119.81 2jmh h ALA 69 Ca -0.03 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.80 2jmh h ALA 69 Cb 0.39 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2jmh h ALA 69 CO 0.05 -0.41 0.41 0.37 0.00 0.00 0.00 179.25 179.66 2jmh h GLN 70 N -0.50 0.67 0.12 0.00 4.15 -0.46 0.26 115.11 119.34 2jmh h GLN 70 Ca -0.02 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2jmh h GLN 70 Cb 0.41 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2jmh h GLN 70 CO 0.03 0.44 -0.06 0.78 -1.93 0.00 0.00 178.83 178.09 2jmh h GLY 71 N 0.69 -0.16 0.99 2.39 0.00 -0.97 -0.88 103.07 105.12 2jmh h GLY 71 Ca 0.37 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 2jmh h GLY 71 CO -0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 176.54 176.21 2jmh h ALA 72 N 0.37 -0.06 0.08 3.60 0.00 -0.90 -0.99 119.26 121.36 2jmh h ALA 72 Ca -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jmh h ALA 72 Cb 0.38 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2jmh h ALA 72 CO 0.03 -0.53 -0.15 1.25 0.00 0.00 0.00 179.25 179.85 2jmh h LEU 73 N -0.07 -0.42 -0.40 0.00 5.85 -0.54 0.28 115.31 120.01 2jmh h LEU 73 Ca -0.01 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2jmh h LEU 73 Cb 0.06 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 2jmh h LEU 73 CO 0.01 -0.22 0.02 -0.33 -0.34 0.00 0.00 178.44 177.58 2jmh h GLU 74 N -0.29 0.13 0.00 1.25 5.08 -1.06 0.24 114.58 119.93 2jmh h GLU 74 Ca 0.03 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2jmh h GLU 74 Cb 0.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2jmh h GLU 74 CO -0.09 0.08 -0.23 0.00 -1.00 0.00 0.00 179.01 177.78 2jmh h ARG 75 N 0.13 0.00 0.07 2.33 3.08 -0.87 -0.50 114.38 118.62 2jmh h ARG 75 Ca 0.19 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 2jmh h ARG 75 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2jmh h ARG 75 CO -0.31 0.23 -0.04 1.49 -1.07 0.00 0.00 179.97 180.27 2jmh h GLU 76 N 0.00 -0.09 -0.51 0.04 4.81 0.15 -3.03 114.58 115.95 2jmh h GLU 76 Ca -0.00 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2jmh h GLU 76 Cb 0.55 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2jmh h GLU 76 CO 0.03 0.47 0.03 1.37 -0.73 0.00 0.00 179.01 180.18 2jmh h LEU 77 N -0.86 0.80 -0.54 1.64 8.10 -0.57 -1.79 115.31 122.08 2jmh h LEU 77 Ca -0.01 -0.19 0.00 0.00 0.11 0.00 0.00 57.88 57.79 2jmh h LEU 77 Cb 0.61 -0.21 0.00 0.00 -0.44 0.00 0.00 40.66 40.62 2jmh h LEU 77 CO 0.02 0.84 0.00 0.29 -4.11 0.00 0.00 178.44 175.48 2jmh n LYS 78 N -4.22 0.11 0.41 0.17 4.76 -0.20 -3.22 118.16 115.96 2jmh n LYS 78 Ca 0.03 0.41 -0.19 0.00 -2.87 0.00 0.00 58.31 55.69 2jmh n LYS 78 Cb 0.29 -1.74 -0.09 0.00 -1.84 0.00 0.00 35.03 31.65 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 -1.06 0.00 1.97 2.43 -1.19 -3.48 114.38 113.05 2jmh h ARG 79 Ca 0.00 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2jmh h ARG 79 Cb 0.24 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2jmh h ARG 79 CO 0.00 -0.71 0.00 0.25 -1.51 0.00 0.00 179.97 178.00 2jmh n THR 80 N -5.58 0.00 -2.10 0.20 -2.24 -1.20 -5.04 114.28 98.32 2jmh n THR 80 Ca -0.14 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 2jmh n THR 80 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2jmh n THR 80 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jmh n ASP 81 N -1.27 -4.32 -4.90 3.42 2.03 -1.26 -4.89 116.55 105.36 2jmh n ASP 81 Ca 0.00 0.03 -0.33 0.00 0.52 0.00 0.00 54.79 55.01 2jmh n ASP 81 Cb 0.00 -2.72 -0.05 0.00 -0.72 0.00 0.00 41.12 37.63 2jmh n ASP 81 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2jmh s LEU 82 N -2.52 4.36 0.00 -2.67 0.05 -1.26 -4.88 118.68 111.76 2jmh s LEU 82 Ca 0.02 0.41 0.00 0.00 0.05 0.00 0.00 54.13 54.61 2jmh s LEU 82 Cb -0.01 -2.74 0.00 0.00 -2.05 0.00 0.00 46.19 41.39 2jmh s LEU 82 CO 0.30 0.23 0.00 0.59 -0.55 0.00 0.00 176.35 176.92 2jmh n ASN 83 N 0.81 0.00 0.40 1.48 4.13 -1.26 -4.98 115.26 115.84 2jmh n ASN 83 Ca -0.09 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 55.98 2jmh n ASN 83 Cb 0.52 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.67 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 0.02 0.28 -0.29 2.41 2.04 -1.98 0.37 117.51 120.36 2jmh h ILE 84 Ca 0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2jmh h ILE 84 Cb 0.00 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 2jmh h ILE 84 CO 0.00 0.00 0.15 0.25 0.00 0.00 0.00 178.15 178.55 2jmh h LEU 85 N -0.99 0.38 -0.69 1.44 7.12 -2.00 -1.80 115.31 118.77 2jmh h LEU 85 Ca -0.10 -0.11 0.01 0.00 0.13 0.00 0.00 57.88 57.81 2jmh h LEU 85 Cb 0.76 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.75 2jmh h LEU 85 CO 0.17 0.38 0.45 -0.33 -0.13 0.00 0.00 178.44 178.98 2jmh h GLU 86 N 0.35 0.88 -0.51 1.25 5.08 -1.91 -1.57 114.58 118.15 2jmh h GLU 86 Ca 0.10 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2jmh h GLU 86 Cb 0.10 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2jmh h GLU 86 CO -0.01 0.58 0.32 0.00 -1.00 0.00 0.00 179.01 178.89 2jmh h ARG 87 N 0.91 0.68 0.67 2.33 3.08 -0.01 0.27 114.38 122.31 2jmh h ARG 87 Ca 0.26 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 2jmh h ARG 87 Cb -0.06 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 29.85 2jmh h ARG 87 CO -0.07 0.49 -0.32 0.35 -1.07 0.00 0.00 179.97 179.34 2jmh h PHE 88 N 0.68 -0.84 -0.71 3.04 3.57 -0.92 0.20 116.94 121.96 2jmh h PHE 88 Ca 0.18 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2jmh h PHE 88 Cb -0.03 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2jmh h PHE 88 CO -0.03 -0.51 0.44 -0.91 -2.23 0.00 0.00 178.31 175.06 2jmh h ASN 89 N -0.92 0.84 0.29 0.41 4.21 -1.22 -2.02 115.58 117.16 2jmh h ASN 89 Ca -0.09 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.36 2jmh h ASN 89 Cb 0.70 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 2jmh h ASN 89 CO 0.15 0.64 -0.14 1.88 -1.29 0.00 0.00 177.43 178.67 2jmh h TYR 90 N 0.98 -0.36 -0.43 1.19 -1.99 -0.25 0.17 116.97 116.29 2jmh h TYR 90 Ca 0.26 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 61.06 2jmh h TYR 90 Cb -0.06 0.12 -0.07 0.00 2.00 0.00 0.00 36.73 38.72 2jmh h TYR 90 CO 0.00 -0.06 -0.05 0.93 -0.00 0.00 0.00 178.16 178.98 2jmh h GLU 91 N -0.65 0.06 -0.41 4.88 4.39 -0.43 -1.15 114.58 121.26 2jmh h GLU 91 Ca -0.04 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 2jmh h GLU 91 Cb 0.46 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2jmh h GLU 91 CO 0.07 0.04 0.02 1.49 -1.16 0.00 0.00 179.01 179.47 2jmh h GLU 92 N 0.06 0.71 0.05 2.33 4.81 -1.36 -1.79 114.58 119.39 2jmh h GLU 92 Ca 0.21 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2jmh h GLU 92 Cb 0.31 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 2jmh h GLU 92 CO -0.39 0.78 -0.46 0.00 -0.73 0.00 0.00 179.01 178.21 2jmh h ALA 93 N 0.91 -0.79 -0.37 2.92 0.00 0.16 -0.48 119.26 121.60 2jmh h ALA 93 Ca 0.12 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jmh h ALA 93 Cb 0.44 0.80 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2jmh h ALA 93 CO 0.02 -1.02 0.24 -0.56 0.00 0.00 0.00 179.25 177.93 2jmh h GLN 94 N -0.64 0.47 -0.39 0.00 3.07 -1.25 -2.22 115.11 114.16 2jmh h GLN 94 Ca 0.03 -0.03 0.08 0.00 0.09 0.00 0.00 58.65 58.82 2jmh h GLN 94 Cb 0.69 -0.11 -0.09 0.00 0.08 0.00 0.00 27.48 28.06 2jmh h GLN 94 CO -0.31 0.31 -0.26 1.15 0.09 0.00 0.00 178.83 179.82 2jmh h THR 95 N 0.49 0.33 -0.88 1.86 2.02 -0.84 0.11 112.91 116.00 2jmh h THR 95 Ca 0.14 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.33 2jmh h THR 95 Cb -0.04 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 2jmh h THR 95 CO -0.04 0.00 0.59 -0.07 0.37 0.00 0.00 175.52 176.36 2jmh h LEU 96 N -0.19 1.01 -1.03 2.58 3.38 -0.90 -1.84 115.31 118.32 2jmh h LEU 96 Ca 0.18 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2jmh h LEU 96 Cb 0.49 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2jmh h LEU 96 CO -0.50 0.72 0.10 0.77 0.09 0.00 0.00 178.44 179.62 2jmh h SER 97 N 1.18 0.74 0.01 -0.43 4.64 -0.41 -1.56 113.55 117.72 2jmh h SER 97 Ca 0.33 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2jmh h SER 97 Cb -0.12 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.78 2jmh h SER 97 CO -0.08 0.75 -0.00 0.11 -0.87 0.00 0.00 176.83 176.74 2jmh h LYS 98 N 0.76 -0.01 0.09 4.77 1.79 -0.07 -0.57 116.57 123.34 2jmh h LYS 98 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2jmh h LYS 98 Cb 0.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2jmh h LYS 98 CO 0.00 0.28 -0.09 0.82 -1.08 0.00 0.00 179.45 179.39 2jmh h ILE 99 N -0.31 0.80 -0.24 1.86 2.04 -1.28 -0.73 117.51 119.65 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 0.30 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2jmh h ILE 99 CO 0.00 0.00 0.08 0.25 0.00 0.00 0.00 178.15 178.48 2jmh h LEU 100 N -0.20 0.09 -0.85 1.44 7.12 -1.31 -1.69 115.31 119.91 2jmh h LEU 100 Ca 0.00 0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.11 2jmh h LEU 100 Cb 0.19 0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.27 2jmh h LEU 100 CO -0.02 0.08 0.51 -0.07 -0.13 0.00 0.00 178.44 178.81 2jmh h LEU 101 N 0.19 0.78 0.34 2.25 3.38 -0.91 -1.05 115.31 120.29 2jmh h LEU 101 Ca 0.11 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2jmh h LEU 101 Cb 0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2jmh h LEU 101 CO -0.11 0.48 -0.16 0.11 0.09 0.00 0.00 178.44 178.85 2jmh h LYS 102 N 0.91 -0.43 -0.40 1.13 1.57 -0.58 -0.42 116.57 118.35 2jmh h LYS 102 Ca 0.38 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.26 2jmh h LYS 102 Cb 0.24 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 2jmh h LYS 102 CO -0.20 -0.27 0.07 -0.44 -0.57 0.00 0.00 179.45 178.04 2jmh h ASP 103 N -0.48 -0.01 0.06 0.86 5.19 -0.94 -1.39 116.42 119.71 2jmh h ASP 103 Ca -0.05 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2jmh h ASP 103 Cb 0.36 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 2jmh h ASP 103 CO 0.08 0.03 -0.10 0.25 -3.12 0.00 0.00 179.24 176.38 2jmh h LEU 104 N 0.20 -0.27 -0.40 1.55 6.46 -1.06 -1.10 115.31 120.69 2jmh h LEU 104 Ca 0.20 0.03 0.08 0.00 -0.12 0.00 0.00 57.88 58.07 2jmh h LEU 104 Cb 0.24 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.20 2jmh h LEU 104 CO -0.26 -0.15 -0.11 0.50 -0.62 0.00 0.00 178.44 177.79 2jmh h LYS 105 N -0.20 -0.02 -0.89 1.25 3.64 -0.65 -0.75 116.57 118.94 2jmh h LYS 105 Ca 0.02 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2jmh h LYS 105 Cb 0.22 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 2jmh h LYS 105 CO -0.06 -0.01 0.58 1.49 -2.27 0.00 0.00 179.45 179.18 2jmh h GLU 106 N -0.02 1.10 0.21 1.90 4.57 -1.00 -1.34 114.58 119.99 2jmh h GLU 106 Ca 0.20 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2jmh h GLU 106 Cb 0.32 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2jmh h GLU 106 CO -0.43 0.72 -0.17 1.15 -1.18 0.00 0.00 179.01 179.10 2jmh h THR 107 N 1.13 0.62 -0.33 0.32 2.02 0.13 -1.23 112.91 115.58 2jmh h THR 107 Ca 0.35 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.56 2jmh h THR 107 Cb -0.00 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2jmh h THR 107 CO -0.12 0.00 0.17 -0.08 0.37 0.00 0.00 175.52 175.86 2jmh h GLU 108 N -0.40 0.33 -0.11 6.66 4.81 -0.99 -1.47 114.58 123.42 2jmh h GLU 108 Ca -0.01 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2jmh h GLU 108 Cb 0.36 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 2jmh h GLU 108 CO -0.02 0.22 -0.24 0.37 -0.73 0.00 0.00 179.01 178.61 2jmh h GLN 109 N 0.34 -0.30 -0.39 1.92 4.15 -1.05 0.60 115.11 120.40 2jmh h GLN 109 Ca 0.13 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.62 2jmh h GLN 109 Cb 0.04 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 2jmh h GLN 109 CO -0.09 -0.20 0.13 0.87 -1.93 0.00 0.00 178.83 177.61 2jmh h LYS 110 N -0.31 0.27 0.47 1.69 1.79 -1.00 0.18 116.57 119.66 2jmh h LYS 110 Ca 0.10 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 2jmh h LYS 110 Cb 0.45 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 2jmh h LYS 110 CO -0.29 0.18 -0.38 0.28 -1.08 0.00 0.00 179.45 178.16 2jmh h VAL 111 N 0.28 0.22 0.00 0.50 2.07 -0.67 -1.05 116.25 117.60 2jmh h VAL 111 Ca 0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 2jmh h VAL 111 Cb 0.17 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2jmh h VAL 111 CO -0.19 0.00 -0.02 0.07 0.02 0.00 0.00 177.57 177.45 2jmh h LYS 112 N -0.84 0.00 -0.10 1.57 2.10 -0.70 -2.39 116.57 116.21 2jmh h LYS 112 Ca -0.05 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.53 2jmh h LYS 112 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2jmh h LYS 112 CO -0.01 0.02 -0.21 0.22 -2.00 0.00 0.00 179.45 177.47 2jmh h ASP 113 N 0.00 0.35 -2.68 7.07 3.58 0.33 -3.44 116.42 121.62 2jmh h ASP 113 Ca -0.00 -0.57 -0.56 0.00 0.42 0.00 0.00 57.03 56.32 2jmh h ASP 113 Cb 0.11 -0.10 0.07 0.00 1.72 0.00 0.00 39.33 41.13 2jmh h ASP 113 CO 0.00 0.85 0.78 -0.38 -2.88 0.00 0.00 179.24 177.61 2jmh n ILE 114 N -4.52 0.57 -3.33 2.25 -0.00 -0.49 -4.97 119.36 108.86 2jmh n ILE 114 Ca -0.07 -0.14 -0.38 0.00 -0.00 0.00 0.00 62.75 62.15 2jmh n ILE 114 Cb 0.42 -1.66 -0.06 0.00 -0.00 0.00 0.00 39.64 38.34 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 0.15 4.12 0.19 0.38 -2.07 -1.26 -5.00 119.66 116.17 2jmh s GLN 115 Ca 0.71 0.64 0.04 0.00 -1.82 0.00 0.00 55.36 54.93 2jmh s GLN 115 Cb -0.61 -3.21 -0.02 0.00 -1.09 0.00 0.00 33.01 28.09 2jmh s GLN 115 CO 0.44 0.64 0.15 0.25 -1.32 0.00 0.00 175.29 175.45 2jmh n THR 116 N 1.66 0.00 0.69 3.63 -2.24 -1.26 -4.89 114.28 111.86 2jmh n THR 116 Ca -0.11 -1.35 0.08 0.00 -2.27 0.00 0.00 64.05 60.40 2jmh n THR 116 Cb 0.51 0.66 0.07 0.00 -2.10 0.00 0.00 70.33 69.47 2jmh n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50