#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 4.33 -0.24 -1.09 0.41 -1.26 -5.01 118.70 115.84 2jmh s GLU 2 Ca 0.00 2.04 -0.05 0.00 -0.41 0.00 0.00 54.97 56.55 2jmh s GLU 2 Cb 0.00 -3.29 -0.01 0.00 -1.78 0.00 0.00 34.13 29.06 2jmh s GLU 2 CO 0.00 -0.43 -0.00 -3.38 -0.49 0.00 0.00 175.26 170.95 2jmh s HIS 3 N 1.22 3.02 0.63 1.61 -3.43 -1.26 -5.11 115.29 111.99 2jmh s HIS 3 Ca 0.64 -0.90 -0.11 0.00 -0.80 0.00 0.00 55.06 53.89 2jmh s HIS 3 Cb -0.36 -2.15 -0.03 0.00 -1.43 0.00 0.00 32.58 28.61 2jmh s HIS 3 CO 0.30 -0.53 1.04 0.15 -2.00 0.00 0.00 174.74 173.69 2jmh s LYS 4 N 1.49 3.47 -0.34 -0.38 3.01 -1.26 -4.98 119.74 120.76 2jmh s LYS 4 Ca 0.05 0.71 -0.29 0.00 -1.01 0.00 0.00 55.97 55.44 2jmh s LYS 4 Cb -0.15 -2.07 -0.01 0.00 -1.01 0.00 0.00 37.83 34.59 2jmh s LYS 4 CO -0.01 -0.65 1.70 -1.25 0.51 0.00 0.00 175.35 175.65 2jmh s PRO 5 N -5.20 3.42 0.24 -1.68 0.04 -1.26 -4.99 135.00 125.56 2jmh s PRO 5 Ca 0.56 1.33 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 2jmh s PRO 5 Cb -0.11 -4.15 -0.08 0.00 0.04 0.00 0.00 34.50 30.20 2jmh s PRO 5 CO 0.54 -1.75 0.71 0.21 0.04 0.00 0.00 177.00 176.74 2jmh s LYS 6 N 5.43 4.17 0.14 4.56 2.20 -1.26 -5.09 119.74 129.89 2jmh s LYS 6 Ca 0.75 0.78 0.11 0.00 -0.36 0.00 0.00 55.97 57.25 2jmh s LYS 6 Cb -0.21 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 2jmh s LYS 6 CO 0.33 0.35 -0.25 0.21 -0.36 0.00 0.00 175.35 175.64 2jmh s LYS 7 N -2.19 1.49 0.13 4.03 2.20 -1.26 -5.09 119.74 119.04 2jmh s LYS 7 Ca 0.45 -1.34 -0.32 0.00 -0.36 0.00 0.00 55.97 54.40 2jmh s LYS 7 Cb -0.15 -1.93 -0.11 0.00 -1.51 0.00 0.00 37.83 34.12 2jmh s LYS 7 CO 0.20 0.45 1.82 -3.47 -0.36 0.00 0.00 175.35 173.99 2jmh n ASP 8 N 0.81 3.97 -0.01 1.43 -0.08 -1.26 -4.90 116.55 116.51 2jmh n ASP 8 Ca -0.17 1.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.90 2jmh n ASP 8 Cb 0.53 -1.54 -0.14 0.00 2.34 0.00 0.00 41.12 42.32 2jmh n ASP 8 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2jmh h ASP 9 N 8.24 0.32 -2.75 1.67 3.32 -1.99 -3.46 116.42 121.77 2jmh h ASP 9 Ca -0.46 -0.83 -0.28 0.00 0.02 0.00 0.00 57.03 55.48 2jmh h ASP 9 Cb 1.22 -0.10 -0.35 0.00 0.22 0.00 0.00 39.33 40.32 2jmh h ASP 9 CO 0.95 1.57 -0.60 -0.36 -1.72 0.00 0.00 179.24 179.08 2jmh s PHE 10 N -2.45 -0.30 -0.03 4.55 0.08 -1.26 -5.01 117.98 113.55 2jmh s PHE 10 Ca -0.21 0.55 0.11 0.00 0.12 0.00 0.00 56.93 57.51 2jmh s PHE 10 Cb 0.04 -0.23 -0.06 0.00 -0.57 0.00 0.00 43.02 42.19 2jmh s PHE 10 CO 0.74 -0.45 1.36 -0.09 -0.10 0.00 0.00 175.22 176.68 2jmh h ARG 11 N 8.32 0.00 0.00 0.44 2.43 -2.00 -3.22 114.38 120.34 2jmh h ARG 11 Ca -0.15 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.84 2jmh h ARG 11 Cb 1.13 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 2jmh h ARG 11 CO 0.20 0.72 -1.16 -2.95 -1.51 0.00 0.00 179.97 175.27 2jmh h ASN 12 N 0.00 0.00 -1.46 -3.80 -1.07 -2.03 -3.34 115.58 103.88 2jmh h ASN 12 Ca -0.01 0.00 -0.68 0.00 0.07 0.00 0.00 56.30 55.68 2jmh h ASN 12 Cb 1.56 0.00 -0.33 0.00 -2.07 0.00 0.00 38.32 37.48 2jmh h ASN 12 CO 0.09 0.70 0.37 1.21 0.07 0.00 0.00 177.43 179.88 2jmh n GLU 13 N -3.08 3.00 -2.56 4.14 2.13 -1.23 -5.02 120.64 118.02 2jmh n GLU 13 Ca -0.06 -3.76 -0.39 0.00 0.66 0.00 0.00 57.16 53.60 2jmh n GLU 13 Cb 0.87 -2.27 -0.05 0.00 0.27 0.00 0.00 31.44 30.26 2jmh n GLU 13 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2jmh s PHE 14 N -3.83 3.62 0.02 4.31 5.36 -1.22 -4.85 117.98 121.39 2jmh s PHE 14 Ca 0.54 1.74 -0.26 0.00 -0.96 0.00 0.00 56.93 58.00 2jmh s PHE 14 Cb 0.45 -3.18 -0.16 0.00 -0.34 0.00 0.00 43.02 39.78 2jmh s PHE 14 CO -0.20 -0.32 1.28 -0.44 -1.46 0.00 0.00 175.22 174.08 2jmh h ASP 15 N 3.63 -0.42 -5.04 6.13 5.19 -1.95 -3.47 116.42 120.47 2jmh h ASP 15 Ca -0.47 -0.13 -0.32 0.00 -0.62 0.00 0.00 57.03 55.49 2jmh h ASP 15 Cb 1.21 0.11 0.12 0.00 0.18 0.00 0.00 39.33 40.95 2jmh h ASP 15 CO 0.66 -0.09 -0.58 1.57 -3.12 0.00 0.00 179.24 177.69 2jmh n HIS 16 N -5.19 -2.30 -1.39 4.55 -0.00 -1.26 -4.99 115.22 104.63 2jmh n HIS 16 Ca -0.10 0.84 -0.30 0.00 0.46 0.00 0.00 57.72 58.62 2jmh n HIS 16 Cb 0.28 -4.41 0.10 0.00 -0.12 0.00 0.00 29.99 25.83 2jmh n HIS 16 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2jmh s LEU 17 N -6.15 2.58 0.00 0.27 2.96 -1.26 -4.76 118.68 112.32 2jmh s LEU 17 Ca 0.40 1.47 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 2jmh s LEU 17 Cb -0.18 -4.05 0.00 0.00 0.50 0.00 0.00 46.19 42.47 2jmh s LEU 17 CO 0.61 -2.17 0.79 0.18 -1.32 0.00 0.00 176.35 174.45 2jmh n LEU 18 N -3.58 0.00 -0.27 -0.68 4.32 -1.26 -0.31 117.00 115.22 2jmh n LEU 18 Ca 0.07 0.79 0.17 0.00 -0.02 0.00 0.00 56.01 57.02 2jmh n LEU 18 Cb 0.55 -0.29 0.45 0.00 -1.62 0.00 0.00 43.42 42.51 2jmh n LEU 18 CO 0.56 -0.29 1.22 0.40 -1.22 0.00 0.00 177.39 178.05 2jmh h ILE 19 N 0.00 0.71 0.19 -0.08 1.08 -1.98 -1.03 117.51 116.40 2jmh h ILE 19 Ca 0.00 -0.18 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 2jmh h ILE 19 Cb 0.00 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 33.87 2jmh h ILE 19 CO 0.00 0.10 -0.21 -0.33 -0.69 0.00 0.00 178.15 177.02 2jmh h GLU 20 N 0.53 -0.42 -0.73 2.37 5.08 -1.83 0.26 114.58 119.84 2jmh h GLU 20 Ca 0.49 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.83 2jmh h GLU 20 Cb 1.04 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 2jmh h GLU 20 CO -0.22 -0.28 0.28 0.37 -1.00 0.00 0.00 179.01 178.16 2jmh h GLN 21 N -0.44 1.10 -0.64 2.33 4.15 0.33 -1.38 115.11 120.56 2jmh h GLN 21 Ca 0.01 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.19 2jmh h GLN 21 Cb 0.42 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 2jmh h GLN 21 CO -0.07 0.91 0.29 0.00 -1.93 0.00 0.00 178.83 178.03 2jmh h ALA 22 N 1.14 0.83 -0.51 3.38 0.00 -0.90 -0.66 119.26 122.53 2jmh h ALA 22 Ca 0.24 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2jmh h ALA 22 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2jmh h ALA 22 CO -0.02 0.41 -0.02 -0.97 0.00 0.00 0.00 179.25 178.65 2jmh h ASN 23 N 0.89 0.91 -0.60 0.00 -0.73 -0.23 -1.27 115.58 114.55 2jmh h ASN 23 Ca 0.22 -0.32 -0.08 0.00 1.87 0.00 0.00 56.30 57.99 2jmh h ASN 23 Cb 0.15 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 2jmh h ASN 23 CO -0.02 1.01 0.07 0.45 -0.37 0.00 0.00 177.43 178.56 2jmh h HIS 24 N 0.79 1.11 0.07 0.67 3.86 -1.03 0.45 115.15 121.07 2jmh h HIS 24 Ca 0.14 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2jmh h HIS 24 Cb 0.55 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.72 2jmh h HIS 24 CO 0.04 0.95 -0.03 0.00 0.86 0.00 0.00 177.93 179.74 2jmh h ALA 25 N 1.10 -0.10 -0.18 2.45 0.00 -0.97 -1.50 119.26 120.06 2jmh h ALA 25 Ca 0.19 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2jmh h ALA 25 Cb 0.46 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jmh h ALA 25 CO 0.02 -0.37 -0.11 -0.84 0.00 0.00 0.00 179.25 177.94 2jmh h ILE 26 N -0.46 1.18 0.41 0.00 3.07 -1.19 -0.64 117.51 119.89 2jmh h ILE 26 Ca -0.01 -0.78 -0.02 0.00 1.55 0.00 0.00 64.86 65.60 2jmh h ILE 26 Cb 0.39 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.12 2jmh h ILE 26 CO 0.02 0.25 -0.20 -0.08 -1.05 0.00 0.00 178.15 177.08 2jmh h GLU 27 N 0.26 -0.53 -0.74 0.16 4.81 -0.83 -0.70 114.58 117.02 2jmh h GLU 27 Ca 0.05 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2jmh h GLU 27 Cb 0.37 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 2jmh h GLU 27 CO 0.02 -0.23 0.47 -0.22 -0.73 0.00 0.00 179.01 178.33 2jmh h LYS 28 N -0.94 0.98 -0.36 1.92 3.64 -1.21 -1.34 116.57 119.26 2jmh h LYS 28 Ca -0.06 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.17 2jmh h LYS 28 Cb 0.56 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2jmh h LYS 28 CO 0.09 0.67 -0.11 0.78 -2.27 0.00 0.00 179.45 178.61 2jmh h GLY 29 N 1.02 0.76 1.01 5.01 0.00 -1.12 -1.17 103.07 108.58 2jmh h GLY 29 Ca 0.27 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 2jmh h GLY 29 CO -0.06 0.58 0.10 0.83 0.00 0.00 0.00 176.54 178.00 2jmh h GLU 30 N 0.49 0.93 0.27 4.80 4.39 -0.77 0.42 114.58 125.12 2jmh h GLU 30 Ca 0.09 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 2jmh h GLU 30 Cb 0.62 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2jmh h GLU 30 CO 0.04 0.89 -0.13 0.45 -1.16 0.00 0.00 179.01 179.09 2jmh h HIS 31 N 0.83 -0.34 -0.32 4.33 3.86 -1.22 -0.96 115.15 121.33 2jmh h HIS 31 Ca 0.17 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2jmh h HIS 31 Cb 0.40 0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 2jmh h HIS 31 CO 0.03 -0.05 0.14 -0.56 0.86 0.00 0.00 177.93 178.35 2jmh h GLN 32 N -0.63 0.44 -0.11 2.45 3.07 -1.20 -1.63 115.11 117.50 2jmh h GLN 32 Ca -0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.63 2jmh h GLN 32 Cb 0.45 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 27.92 2jmh h GLN 32 CO 0.06 0.36 -0.04 1.25 0.09 0.00 0.00 178.83 180.55 2jmh h LEU 33 N 0.45 0.23 -0.63 0.06 7.12 -0.79 0.20 115.31 121.95 2jmh h LEU 33 Ca 0.11 -0.39 -0.00 0.00 0.13 0.00 0.00 57.88 57.73 2jmh h LEU 33 Cb 0.07 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.11 2jmh h LEU 33 CO -0.01 0.57 0.38 -0.07 -0.13 0.00 0.00 178.44 179.17 2jmh h LEU 34 N -0.11 0.76 -0.39 2.25 3.38 -0.84 0.61 115.31 120.97 2jmh h LEU 34 Ca 0.03 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 2jmh h LEU 34 Cb 0.47 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2jmh h LEU 34 CO 0.01 0.60 -0.54 0.22 0.09 0.00 0.00 178.44 178.82 2jmh h TYR 35 N 0.86 0.93 0.00 1.13 5.03 -1.29 -3.05 116.97 120.58 2jmh h TYR 35 Ca 0.23 -0.33 -0.08 0.00 2.58 0.00 0.00 58.73 61.13 2jmh h TYR 35 Cb -0.02 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.07 2jmh h TYR 35 CO -0.02 1.12 -0.38 -0.07 -1.32 0.00 0.00 178.16 177.49 2jmh h LEU 36 N 0.57 0.00 -1.68 2.82 3.38 -0.28 -2.83 115.31 117.29 2jmh h LEU 36 Ca 0.01 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.22 2jmh h LEU 36 Cb 1.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 2jmh h LEU 36 CO 0.11 0.38 0.63 -0.61 0.09 0.00 0.00 178.44 179.04 2jmh h GLN 37 N 0.00 0.24 0.23 1.13 5.75 -0.76 -0.95 115.11 120.74 2jmh h GLN 37 Ca -0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2jmh h GLN 37 Cb 0.69 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.18 2jmh h GLN 37 CO 0.05 0.16 -0.11 0.45 -2.65 0.00 0.00 178.83 176.73 2jmh h HIS 38 N 0.24 -0.29 -0.89 3.99 3.86 -1.63 -0.46 115.15 119.97 2jmh h HIS 38 Ca 0.47 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.72 2jmh h HIS 38 Cb 1.43 0.10 -0.06 0.00 1.06 0.00 0.00 27.41 29.93 2jmh h HIS 38 CO -0.00 -0.00 0.57 1.96 0.86 0.00 0.00 177.93 181.31 2jmh h GLN 39 N -0.57 1.03 -0.51 2.45 1.08 -1.36 -1.46 115.11 115.78 2jmh h GLN 39 Ca -0.03 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.04 2jmh h GLN 39 Cb 0.42 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2jmh h GLN 39 CO 0.05 0.68 0.06 1.25 -0.95 0.00 0.00 178.83 179.92 2jmh h LEU 40 N 1.06 0.83 0.16 1.46 7.12 -1.22 0.16 115.31 124.88 2jmh h LEU 40 Ca 0.38 -0.28 -0.00 0.00 0.13 0.00 0.00 57.88 58.11 2jmh h LEU 40 Cb 0.10 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.01 2jmh h LEU 40 CO -0.15 0.90 -0.09 -0.78 -0.13 0.00 0.00 178.44 178.18 2jmh h ASP 41 N 0.73 -0.23 0.63 1.25 3.58 -0.43 -0.43 116.42 121.53 2jmh h ASP 41 Ca 0.15 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 2jmh h ASP 41 Cb 0.44 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 2jmh h ASP 41 CO 0.01 -0.15 -0.35 1.05 -2.88 0.00 0.00 179.24 176.92 2jmh h GLU 42 N -0.24 0.00 -0.10 0.28 -0.00 -1.24 -2.85 114.58 110.42 2jmh h GLU 42 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 59.21 2jmh h GLU 42 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.94 2jmh h GLU 42 CO 0.02 0.35 -0.52 1.25 -0.00 0.00 0.00 179.01 180.11 2jmh h LEU 43 N 0.00 0.30 -0.95 3.06 7.12 -0.21 0.26 115.31 124.89 2jmh h LEU 43 Ca -0.00 -0.15 0.04 0.00 0.13 0.00 0.00 57.88 57.90 2jmh h LEU 43 Cb 0.76 -0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.75 2jmh h LEU 43 CO 0.05 0.77 0.62 0.78 -0.13 0.00 0.00 178.44 180.52 2jmh h ASN 44 N 0.22 1.02 0.03 1.25 -0.26 -0.84 0.33 115.58 117.32 2jmh h ASN 44 Ca 0.01 -0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.48 2jmh h ASN 44 Cb 0.99 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.99 2jmh h ASN 44 CO 0.08 0.69 -1.45 1.21 -1.06 0.00 0.00 177.43 176.90 2jmh n GLU 45 N -4.50 0.61 -0.15 0.81 2.13 -1.16 -4.21 120.64 114.17 2jmh n GLU 45 Ca 0.13 0.50 0.09 0.00 0.66 0.00 0.00 57.16 58.54 2jmh n GLU 45 Cb 0.11 -1.73 0.41 0.00 0.27 0.00 0.00 31.44 30.50 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 -0.78 0.56 -3.17 4.31 4.21 -0.47 -3.45 115.58 116.79 2jmh h ASN 46 Ca -0.38 0.01 -0.36 0.00 1.21 0.00 0.00 56.30 56.79 2jmh h ASN 46 Cb 1.47 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 38.53 2jmh h ASN 46 CO -0.15 0.35 -0.45 0.29 -1.29 0.00 0.00 177.43 176.17 2jmh n LYS 47 N -4.48 -1.85 -1.93 0.81 4.76 0.11 -4.88 118.16 110.70 2jmh n LYS 47 Ca 0.11 0.88 -0.42 0.00 -2.87 0.00 0.00 58.31 56.00 2jmh n LYS 47 Cb 0.30 -5.50 -0.03 0.00 -1.84 0.00 0.00 35.03 27.96 2jmh n LYS 47 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jmh s SER 48 N -2.07 6.61 0.13 4.39 0.01 -1.26 -4.68 113.70 116.83 2jmh s SER 48 Ca 0.00 2.42 -0.16 0.00 1.31 0.00 0.00 55.95 59.52 2jmh s SER 48 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 2jmh s SER 48 CO 0.00 -0.92 1.68 0.07 0.41 0.00 0.00 173.24 174.49 2jmh h LYS 49 N 8.96 0.57 -0.60 12.44 2.10 -1.93 -0.71 116.57 137.39 2jmh h LYS 49 Ca -0.42 -0.10 -0.10 0.00 -2.00 0.00 0.00 60.65 58.02 2jmh h LYS 49 Cb 1.20 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 32.41 2jmh h LYS 49 CO 0.94 0.54 -0.03 1.05 -2.00 0.00 0.00 179.45 179.94 2jmh h GLU 50 N 0.47 1.08 -0.70 0.07 4.11 -1.97 -0.91 114.58 116.72 2jmh h GLU 50 Ca 0.13 -0.36 -0.06 0.00 0.07 0.00 0.00 59.36 59.14 2jmh h GLU 50 Cb 0.18 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2jmh h GLU 50 CO -0.01 1.06 0.21 1.25 0.07 0.00 0.00 179.01 181.59 2jmh h LEU 51 N 0.97 1.04 -0.70 3.06 5.85 -1.91 -0.80 115.31 122.82 2jmh h LEU 51 Ca 0.17 -0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 2jmh h LEU 51 Cb 0.60 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2jmh h LEU 51 CO 0.04 0.98 -0.61 0.06 -0.34 0.00 0.00 178.44 178.57 2jmh h GLN 52 N 1.04 0.14 -0.14 1.25 -0.00 -0.98 -1.45 115.11 114.98 2jmh h GLN 52 Ca 0.23 -0.10 -0.18 0.00 -0.00 0.00 0.00 58.65 58.60 2jmh h GLN 52 Cb 0.32 0.02 -0.00 0.00 -0.00 0.00 0.00 27.48 27.81 2jmh h GLN 52 CO -0.00 0.71 -0.65 0.93 -0.00 0.00 0.00 178.83 179.82 2jmh h GLU 53 N 0.11 0.53 -0.02 0.06 4.39 -0.82 -1.52 114.58 117.31 2jmh h GLU 53 Ca -0.01 -0.38 -0.22 0.00 0.34 0.00 0.00 59.36 59.09 2jmh h GLU 53 Cb 1.10 0.06 0.02 0.00 -0.10 0.00 0.00 28.75 29.83 2jmh h GLU 53 CO 0.09 1.00 -0.83 0.87 -1.16 0.00 0.00 179.01 178.98 2jmh h LYS 54 N 0.39 0.60 0.02 2.33 1.57 -1.08 -2.59 116.57 117.80 2jmh h LYS 54 Ca -0.01 -0.62 -0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2jmh h LYS 54 Cb 1.21 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.69 2jmh h LYS 54 CO 0.12 1.23 -0.01 0.82 -0.57 0.00 0.00 179.45 181.04 2jmh h ILE 55 N 0.21 1.19 -0.40 1.86 2.04 -1.30 -1.47 117.51 119.65 2jmh h ILE 55 Ca -0.10 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2jmh h ILE 55 Cb 1.50 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.19 2jmh h ILE 55 CO 0.16 0.17 0.25 -0.29 0.00 0.00 0.00 178.15 178.44 2jmh h ILE 56 N -0.30 1.11 0.22 -0.67 2.10 -1.38 0.29 117.51 118.88 2jmh h ILE 56 Ca -0.00 -0.22 -0.01 0.00 1.08 0.00 0.00 64.86 65.71 2jmh h ILE 56 Cb 0.29 0.53 0.00 0.00 -1.09 0.00 0.00 36.82 36.55 2jmh h ILE 56 CO 0.00 0.11 -0.10 0.03 -1.08 0.00 0.00 178.15 177.11 2jmh h ARG 57 N 0.55 -0.28 -0.69 2.19 -0.00 -1.30 0.02 114.38 114.86 2jmh h ARG 57 Ca 0.15 0.02 -0.08 0.00 -0.50 0.00 0.00 59.98 59.57 2jmh h ARG 57 Cb -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 29.97 29.96 2jmh h ARG 57 CO -0.03 0.08 0.13 0.93 0.00 0.00 0.00 179.97 181.08 2jmh h GLU 58 N -0.72 1.13 -0.24 0.04 5.08 -1.05 -1.65 114.58 117.17 2jmh h GLU 58 Ca -0.03 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 2jmh h GLU 58 Cb 0.49 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2jmh h GLU 58 CO 0.05 1.01 -0.25 1.25 -1.00 0.00 0.00 179.01 180.07 2jmh h LEU 59 N 1.06 0.46 0.26 1.33 5.85 -0.45 -1.17 115.31 122.65 2jmh h LEU 59 Ca 0.21 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2jmh h LEU 59 Cb 0.42 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2jmh h LEU 59 CO 0.01 0.71 -0.12 -0.78 -0.34 0.00 0.00 178.44 177.92 2jmh h ASP 60 N 0.41 -0.29 -0.63 1.25 1.82 -0.67 0.63 116.42 118.94 2jmh h ASP 60 Ca 0.06 -0.23 0.03 0.00 -0.39 0.00 0.00 57.03 56.50 2jmh h ASP 60 Cb 0.66 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.71 2jmh h ASP 60 CO 0.05 0.13 0.39 -0.37 -1.61 0.00 0.00 179.24 177.83 2jmh h VAL 61 N -0.79 1.08 0.42 2.25 -1.51 -1.31 -0.38 116.25 116.01 2jmh h VAL 61 Ca -0.04 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 65.15 2jmh h VAL 61 Cb 0.51 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.92 2jmh h VAL 61 CO 0.06 0.14 -0.20 0.58 -1.23 0.00 0.00 177.57 176.92 2jmh h VAL 62 N 0.77 0.51 -0.65 7.19 2.07 -1.26 -1.71 116.25 123.18 2jmh h VAL 62 Ca 0.25 -0.47 0.17 0.00 0.82 0.00 0.00 66.70 67.47 2jmh h VAL 62 Cb 0.01 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2jmh h VAL 62 CO -0.10 0.08 0.46 0.00 0.02 0.00 0.00 177.57 178.02 2jmh h ALA 64 N 1.68 -0.50 -0.94 0.00 0.00 -0.91 -0.42 119.26 118.18 2jmh h ALA 64 Ca 0.31 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2jmh h ALA 64 Cb 1.11 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2jmh h ALA 64 CO -0.03 -0.49 0.62 0.00 0.00 0.00 0.00 179.25 179.36 2jmh h MET 65 N -1.08 1.22 -0.11 0.00 -0.00 -0.83 -1.59 114.93 112.53 2jmh h MET 65 Ca -0.05 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.70 59.55 2jmh h MET 65 Cb 0.46 -0.27 -0.00 0.00 -0.00 0.00 0.00 31.60 31.78 2jmh h MET 65 CO 0.08 0.81 -0.02 0.82 -0.00 0.00 0.00 176.91 178.60 2jmh h ILE 66 N 1.25 1.28 -0.07 -0.10 5.03 -0.54 -0.73 117.51 123.63 2jmh h ILE 66 Ca 0.35 -0.93 0.03 0.00 -0.12 0.00 0.00 64.86 64.19 2jmh h ILE 66 Cb -0.10 1.67 -0.04 0.00 -3.03 0.00 0.00 36.82 35.32 2jmh h ILE 66 CO -0.09 0.27 -0.13 -0.33 -0.68 0.00 0.00 178.15 177.19 2jmh h GLU 67 N -0.09 -0.18 -0.31 2.37 5.08 -0.76 0.24 114.58 120.92 2jmh h GLU 67 Ca 0.03 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2jmh h GLU 67 Cb 0.43 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2jmh h GLU 67 CO 0.01 -0.12 0.12 0.78 -1.00 0.00 0.00 179.01 178.80 2jmh h GLY 68 N -0.19 0.49 1.00 -3.84 0.00 -1.32 0.73 103.07 99.94 2jmh h GLY 68 Ca 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 2jmh h GLY 68 CO -0.18 0.25 -0.29 0.00 0.00 0.00 0.00 176.54 176.32 2jmh h ALA 69 N 0.96 -0.80 -0.23 3.60 0.00 -0.87 -1.41 119.26 120.52 2jmh h ALA 69 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jmh h ALA 69 Cb 0.18 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jmh h ALA 69 CO -0.01 -0.95 0.11 -0.56 0.00 0.00 0.00 179.25 177.84 2jmh h GLN 70 N -0.81 0.31 0.13 0.00 3.07 -0.54 0.01 115.11 117.28 2jmh h GLN 70 Ca -0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 2jmh h GLN 70 Cb 0.62 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.12 2jmh h GLN 70 CO 0.13 0.25 -0.06 0.78 0.09 0.00 0.00 178.83 180.02 2jmh h GLY 71 N 0.41 -0.19 0.98 0.06 0.00 -0.52 0.50 103.07 104.32 2jmh h GLY 71 Ca 0.08 0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.37 2jmh h GLY 71 CO -0.01 -0.07 -0.21 0.00 0.00 0.00 0.00 176.54 176.25 2jmh h ALA 72 N 0.40 0.47 0.09 3.60 0.00 -1.03 -1.02 119.26 121.77 2jmh h ALA 72 Ca -0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2jmh h ALA 72 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jmh h ALA 72 CO 0.03 0.43 -0.04 1.25 0.00 0.00 0.00 179.25 180.92 2jmh h LEU 73 N 0.50 -0.10 -0.32 0.00 6.46 -1.02 0.24 115.31 121.08 2jmh h LEU 73 Ca 0.07 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2jmh h LEU 73 Cb 0.77 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 2jmh h LEU 73 CO 0.06 -0.00 0.15 -0.33 -0.62 0.00 0.00 178.44 177.70 2jmh h GLU 74 N -0.19 0.46 0.00 1.25 5.08 -0.92 0.66 114.58 120.92 2jmh h GLU 74 Ca -0.01 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2jmh h GLU 74 Cb 0.15 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jmh h GLU 74 CO 0.02 0.42 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.16 2jmh h ARG 75 N 0.38 0.00 0.03 2.33 9.65 -1.08 0.11 114.38 125.79 2jmh h ARG 75 Ca 0.11 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2jmh h ARG 75 Cb 0.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2jmh h ARG 75 CO -0.01 0.20 -0.01 1.49 2.80 0.00 0.00 179.97 184.44 2jmh h GLU 76 N 0.00 -0.04 -0.07 0.20 4.81 0.02 -3.25 114.58 116.25 2jmh h GLU 76 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2jmh h GLU 76 Cb 0.44 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2jmh h GLU 76 CO 0.03 0.65 -0.27 1.37 -0.73 0.00 0.00 179.01 180.06 2jmh h LEU 77 N -0.92 0.12 -0.59 1.64 8.10 -0.81 -1.85 115.31 120.99 2jmh h LEU 77 Ca -0.00 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.95 2jmh h LEU 77 Cb 0.70 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.89 2jmh h LEU 77 CO 0.01 0.39 0.00 0.29 -4.11 0.00 0.00 178.44 175.02 2jmh n LYS 78 N -4.18 0.11 0.07 0.17 4.76 0.36 -3.31 118.16 116.14 2jmh n LYS 78 Ca -0.01 0.43 -0.15 0.00 -2.87 0.00 0.00 58.31 55.71 2jmh n LYS 78 Cb 0.35 -1.76 -0.08 0.00 -1.84 0.00 0.00 35.03 31.70 2jmh n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jmh h ARG 79 N 0.00 -0.62 -1.95 1.97 3.08 -1.37 -3.44 114.38 112.05 2jmh h ARG 79 Ca 0.00 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.11 2jmh h ARG 79 Cb 0.22 0.14 -0.22 0.00 0.08 0.00 0.00 29.97 30.20 2jmh h ARG 79 CO 0.00 -0.41 0.09 0.95 -1.07 0.00 0.00 179.97 179.52 2jmh s THR 80 N -5.83 0.00 -0.30 2.04 -4.23 -1.21 -5.15 115.64 100.96 2jmh s THR 80 Ca -0.16 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.19 2jmh s THR 80 Cb 0.07 -1.00 0.21 0.00 1.34 0.00 0.00 72.50 73.13 2jmh s THR 80 CO 0.62 0.00 1.27 -1.81 -0.54 0.00 0.00 174.62 174.17 2jmh s ASP 81 N 1.28 -0.04 -0.22 3.99 1.01 -1.26 -4.99 116.67 116.43 2jmh s ASP 81 Ca -0.07 0.07 -0.04 0.00 0.71 0.00 0.00 52.55 53.22 2jmh s ASP 81 Cb -0.05 1.02 0.12 0.00 1.01 0.00 0.00 42.92 45.02 2jmh s ASP 81 CO -0.14 -0.01 0.36 -0.22 0.21 0.00 0.00 175.17 175.36 2jmh s LEU 82 N 1.03 -0.55 -0.30 1.23 0.20 -1.26 -4.99 118.68 114.05 2jmh s LEU 82 Ca -0.08 0.32 -0.39 0.00 0.69 0.00 0.00 54.13 54.67 2jmh s LEU 82 Cb -0.02 1.04 0.16 0.00 -0.43 0.00 0.00 46.19 46.94 2jmh s LEU 82 CO -0.10 -0.29 1.39 0.20 -0.29 0.00 0.00 176.35 177.27 2jmh s ASN 83 N 2.52 -0.00 0.05 3.68 -0.87 -1.26 -4.99 114.94 114.07 2jmh s ASN 83 Ca 0.09 0.00 -0.31 0.00 -1.57 0.00 0.00 52.86 51.07 2jmh s ASN 83 Cb -0.15 0.01 -0.18 0.00 -0.02 0.00 0.00 41.25 40.91 2jmh s ASN 83 CO -0.14 -0.01 1.48 0.40 -2.57 0.00 0.00 177.10 176.26 2jmh h ILE 84 N 2.00 0.34 -0.31 0.60 2.04 -2.01 0.26 117.51 120.42 2jmh h ILE 84 Ca -0.01 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2jmh h ILE 84 Cb 1.12 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2jmh h ILE 84 CO 0.18 0.02 0.15 0.25 0.00 0.00 0.00 178.15 178.75 2jmh h LEU 85 N -0.95 0.41 -0.81 1.44 7.12 -1.99 -1.25 115.31 119.27 2jmh h LEU 85 Ca -0.09 -0.13 0.01 0.00 0.13 0.00 0.00 57.88 57.81 2jmh h LEU 85 Cb 0.68 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.66 2jmh h LEU 85 CO 0.14 0.42 0.54 -0.33 -0.13 0.00 0.00 178.44 179.08 2jmh h GLU 86 N 0.37 1.06 -0.37 1.25 5.08 -1.93 -1.20 114.58 118.83 2jmh h GLU 86 Ca 0.11 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2jmh h GLU 86 Cb 0.12 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2jmh h GLU 86 CO -0.01 0.70 0.13 -0.09 -1.00 0.00 0.00 179.01 178.73 2jmh h ARG 87 N 1.09 0.58 0.57 2.33 9.65 -0.22 0.36 114.38 128.74 2jmh h ARG 87 Ca 0.30 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 2jmh h ARG 87 Cb -0.11 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 28.39 2jmh h ARG 87 CO -0.07 0.58 -0.28 0.35 2.80 0.00 0.00 179.97 183.35 2jmh h PHE 88 N 0.46 -0.72 -0.70 2.20 3.57 -0.87 0.26 116.94 121.14 2jmh h PHE 88 Ca 0.12 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.64 2jmh h PHE 88 Cb 0.23 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 2jmh h PHE 88 CO 0.01 -0.44 0.44 -0.91 -2.23 0.00 0.00 178.31 175.17 2jmh h ASN 89 N -0.78 0.72 -0.35 0.41 -0.26 -1.22 -1.56 115.58 112.55 2jmh h ASN 89 Ca -0.08 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.64 2jmh h ASN 89 Cb 0.59 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.68 2jmh h ASN 89 CO 0.13 0.50 0.14 1.88 -1.06 0.00 0.00 177.43 179.02 2jmh h TYR 90 N 0.86 0.54 0.23 1.19 -1.99 -0.76 0.60 116.97 117.63 2jmh h TYR 90 Ca 0.28 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.98 2jmh h TYR 90 Cb 0.02 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 2jmh h TYR 90 CO -0.04 0.49 -0.23 1.49 -0.00 0.00 0.00 178.16 179.87 2jmh h GLU 91 N 0.42 -0.48 -0.63 4.88 4.57 -0.08 -1.18 114.58 122.08 2jmh h GLU 91 Ca 0.12 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 2jmh h GLU 91 Cb 0.18 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 2jmh h GLU 91 CO -0.01 -0.32 0.27 1.49 -1.18 0.00 0.00 179.01 179.26 2jmh h GLU 92 N -0.50 0.91 0.27 1.92 4.81 -1.24 -0.95 114.58 119.80 2jmh h GLU 92 Ca -0.00 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2jmh h GLU 92 Cb 0.47 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2jmh h GLU 92 CO -0.06 0.73 -0.23 0.00 -0.73 0.00 0.00 179.01 178.72 2jmh h ALA 93 N 1.39 -0.50 -0.24 2.92 0.00 -0.43 -0.49 119.26 121.91 2jmh h ALA 93 Ca 0.22 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2jmh h ALA 93 Cb 0.15 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2jmh h ALA 93 CO -0.02 -0.81 -0.16 -0.56 0.00 0.00 0.00 179.25 177.70 2jmh h GLN 94 N -0.52 0.42 0.22 0.00 3.07 -1.08 -1.23 115.11 115.98 2jmh h GLN 94 Ca -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 58.65 58.59 2jmh h GLN 94 Cb 0.47 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.99 2jmh h GLN 94 CO -0.03 0.57 -0.11 1.15 0.09 0.00 0.00 178.83 180.51 2jmh h THR 95 N 0.38 0.81 -0.46 1.86 2.02 -0.75 0.22 112.91 116.99 2jmh h THR 95 Ca 0.07 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 2jmh h THR 95 Cb 0.51 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2jmh h THR 95 CO 0.03 0.04 -0.03 -0.07 0.37 0.00 0.00 175.52 175.86 2jmh h LEU 96 N -0.37 0.83 -0.63 2.58 3.38 -1.02 -1.82 115.31 118.26 2jmh h LEU 96 Ca -0.03 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.64 2jmh h LEU 96 Cb 0.29 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2jmh h LEU 96 CO 0.05 0.95 0.40 0.77 0.09 0.00 0.00 178.44 180.70 2jmh h SER 97 N 0.69 0.67 0.02 -0.43 4.64 -1.14 0.31 113.55 118.30 2jmh h SER 97 Ca 0.13 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2jmh h SER 97 Cb 0.55 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2jmh h SER 97 CO 0.03 0.47 -0.01 0.11 -0.87 0.00 0.00 176.83 176.56 2jmh h LYS 98 N 0.80 -0.02 -0.14 4.77 1.57 -0.84 -0.84 116.57 121.86 2jmh h LYS 98 Ca 0.24 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.05 2jmh h LYS 98 Cb -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2jmh h LYS 98 CO -0.08 0.24 -0.04 0.82 -0.57 0.00 0.00 179.45 179.81 2jmh h ILE 99 N -0.28 0.84 -0.56 1.86 2.04 -1.12 -1.32 117.51 118.97 2jmh h ILE 99 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2jmh h ILE 99 Cb 0.27 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2jmh h ILE 99 CO 0.00 0.00 0.36 0.25 0.00 0.00 0.00 178.15 178.76 2jmh h LEU 100 N -0.02 0.61 -0.41 1.44 7.12 -0.93 -1.54 115.31 121.59 2jmh h LEU 100 Ca 0.07 -0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.12 2jmh h LEU 100 Cb 0.12 -0.14 -0.05 0.00 -0.53 0.00 0.00 40.66 40.06 2jmh h LEU 100 CO -0.15 0.43 0.14 -0.07 -0.13 0.00 0.00 178.44 178.66 2jmh h LEU 101 N 0.73 0.14 0.41 2.25 3.38 -0.73 0.83 115.31 122.33 2jmh h LEU 101 Ca 0.21 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2jmh h LEU 101 Cb -0.04 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jmh h LEU 101 CO -0.07 0.12 -0.20 0.50 0.09 0.00 0.00 178.44 178.88 2jmh h LYS 102 N 0.30 -0.53 -0.60 1.13 3.64 -0.89 -1.12 116.57 118.50 2jmh h LYS 102 Ca 0.19 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.70 2jmh h LYS 102 Cb 0.18 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 2jmh h LYS 102 CO -0.20 -0.34 0.24 -0.44 -2.27 0.00 0.00 179.45 176.44 2jmh h ASP 103 N -0.58 0.25 0.01 4.20 3.32 -1.04 -1.47 116.42 121.10 2jmh h ASP 103 Ca -0.06 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.08 2jmh h ASP 103 Cb 0.44 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2jmh h ASP 103 CO 0.09 0.15 -0.06 0.25 -1.72 0.00 0.00 179.24 177.95 2jmh h LEU 104 N 0.43 -0.18 -0.30 1.55 6.46 -0.66 -1.33 115.31 121.28 2jmh h LEU 104 Ca 0.30 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 58.15 2jmh h LEU 104 Cb 0.35 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.30 2jmh h LEU 104 CO -0.29 -0.09 -0.10 0.11 -0.62 0.00 0.00 178.44 177.45 2jmh h LYS 105 N -0.11 -0.03 -0.36 1.25 1.57 -0.64 -1.28 116.57 116.97 2jmh h LYS 105 Ca 0.02 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2jmh h LYS 105 Cb 0.14 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 2jmh h LYS 105 CO -0.06 -0.02 0.08 1.49 -0.57 0.00 0.00 179.45 180.37 2jmh h GLU 106 N -0.03 0.21 -0.03 3.15 4.81 -1.05 -1.42 114.58 120.22 2jmh h GLU 106 Ca 0.15 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2jmh h GLU 106 Cb 0.26 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 2jmh h GLU 106 CO -0.32 0.14 -0.21 1.15 -0.73 0.00 0.00 179.01 179.03 2jmh h THR 107 N 0.21 0.50 -0.04 0.32 2.02 -0.57 -1.41 112.91 113.94 2jmh h THR 107 Ca 0.17 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.38 2jmh h THR 107 Cb 0.18 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 2jmh h THR 107 CO -0.21 0.00 -0.22 -0.08 0.37 0.00 0.00 175.52 175.38 2jmh h GLU 108 N -0.32 -0.32 -0.56 6.66 4.22 -0.92 -0.93 114.58 122.41 2jmh h GLU 108 Ca 0.07 0.02 0.11 0.00 0.08 0.00 0.00 59.36 59.65 2jmh h GLU 108 Cb 0.41 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 2jmh h GLU 108 CO -0.22 -0.21 -0.06 0.37 -2.18 0.00 0.00 179.01 176.72 2jmh h GLN 109 N -0.33 0.06 -0.40 1.92 4.15 -0.96 0.14 115.11 119.69 2jmh h GLN 109 Ca 0.07 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.51 2jmh h GLN 109 Cb 0.43 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 2jmh h GLN 109 CO -0.23 0.04 0.23 0.87 -1.93 0.00 0.00 178.83 177.81 2jmh h LYS 110 N 0.06 0.45 0.77 1.69 1.79 -0.72 0.30 116.57 120.91 2jmh h LYS 110 Ca 0.28 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.69 2jmh h LYS 110 Cb 0.44 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2jmh h LYS 110 CO -0.52 0.30 -0.37 0.28 -1.08 0.00 0.00 179.45 178.06 2jmh h VAL 111 N 0.46 0.24 0.00 0.50 2.07 0.20 -0.88 116.25 118.84 2jmh h VAL 111 Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 2jmh h VAL 111 Cb 0.02 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2jmh h VAL 111 CO -0.08 0.00 -0.02 0.07 0.02 0.00 0.00 177.57 177.56 2jmh h LYS 112 N -1.04 0.00 0.08 1.57 2.10 -0.70 -2.77 116.57 115.81 2jmh h LYS 112 Ca -0.11 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2jmh h LYS 112 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 2jmh h LYS 112 CO 0.17 0.02 -0.04 0.22 -2.00 0.00 0.00 179.45 177.83 2jmh h ASP 113 N 0.00 -0.09 -2.40 7.07 3.58 0.15 -3.44 116.42 121.29 2jmh h ASP 113 Ca -0.00 -0.51 -0.56 0.00 0.42 0.00 0.00 57.03 56.38 2jmh h ASP 113 Cb 0.15 0.02 0.06 0.00 1.72 0.00 0.00 39.33 41.28 2jmh h ASP 113 CO 0.00 0.52 0.88 -0.38 -2.88 0.00 0.00 179.24 177.39 2jmh n ILE 114 N -4.84 0.02 -3.30 2.25 -0.00 -0.39 -4.96 119.36 108.13 2jmh n ILE 114 Ca -0.08 -0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.28 2jmh n ILE 114 Cb 0.29 -1.71 -0.06 0.00 -0.00 0.00 0.00 39.64 38.17 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 1.12 4.17 0.27 0.38 -2.07 -1.26 -4.97 119.66 117.29 2jmh s GLN 115 Ca 0.78 0.69 0.02 0.00 -1.82 0.00 0.00 55.36 55.03 2jmh s GLN 115 Cb -0.62 -3.24 -0.01 0.00 -1.09 0.00 0.00 33.01 28.06 2jmh s GLN 115 CO 0.36 0.64 0.30 0.25 -1.32 0.00 0.00 175.29 175.52 2jmh n THR 116 N 1.77 0.00 0.45 3.63 -2.24 -1.26 -4.93 114.28 111.70 2jmh n THR 116 Ca -0.11 -1.62 0.05 0.00 -2.27 0.00 0.00 64.05 60.11 2jmh n THR 116 Cb 0.51 0.89 0.04 0.00 -2.10 0.00 0.00 70.33 69.68 2jmh n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50