#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 0.39 0.83 2.61 -1.05 -1.26 -5.16 118.70 115.06 2jmh s GLU 2 Ca 0.00 0.81 -0.11 0.00 -0.15 0.00 0.00 54.97 55.52 2jmh s GLU 2 Cb 0.00 0.00 0.09 0.00 -0.44 0.00 0.00 34.13 33.79 2jmh s GLU 2 CO 0.00 -0.17 1.10 -1.01 0.95 0.00 0.00 175.26 176.13 2jmh s HIS 3 N 1.51 2.37 0.93 4.83 3.76 -1.26 -4.99 115.29 122.43 2jmh s HIS 3 Ca -0.09 1.49 -0.10 0.00 -0.15 0.00 0.00 55.06 56.21 2jmh s HIS 3 Cb -0.09 -3.11 0.15 0.00 1.11 0.00 0.00 32.58 30.64 2jmh s HIS 3 CO -0.13 -2.13 1.14 0.15 -0.85 0.00 0.00 174.74 172.92 2jmh s LYS 4 N -4.87 0.92 -0.49 1.40 1.02 -1.26 -4.88 119.74 111.58 2jmh s LYS 4 Ca 0.63 1.49 -0.27 0.00 0.02 0.00 0.00 55.97 57.83 2jmh s LYS 4 Cb -0.18 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.39 2jmh s LYS 4 CO 0.57 -2.68 1.78 -1.25 -0.92 0.00 0.00 175.35 172.85 2jmh s PRO 5 N -4.65 2.99 -0.36 -1.68 0.04 -1.26 -4.85 135.00 125.24 2jmh s PRO 5 Ca 0.67 0.94 0.06 0.00 0.04 0.00 0.00 61.00 62.71 2jmh s PRO 5 Cb -0.23 -4.28 0.47 0.00 0.04 0.00 0.00 34.50 30.50 2jmh s PRO 5 CO 0.58 -2.28 1.43 1.17 0.04 0.00 0.00 177.00 177.94 2jmh n LYS 6 N 8.78 2.85 -4.21 4.56 4.81 -1.26 -4.99 118.16 128.70 2jmh n LYS 6 Ca 0.21 -3.70 -0.16 0.00 -0.87 0.00 0.00 58.31 53.79 2jmh n LYS 6 Cb 0.50 -2.12 -0.14 0.00 0.02 0.00 0.00 35.03 33.29 2jmh n LYS 6 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2jmh s LYS 7 N -3.53 0.56 0.16 1.64 2.47 -1.26 -5.13 119.74 114.64 2jmh s LYS 7 Ca 0.51 -0.36 -0.30 0.00 -1.56 0.00 0.00 55.97 54.26 2jmh s LYS 7 Cb 0.43 -0.50 -0.08 0.00 -1.46 0.00 0.00 37.83 36.21 2jmh s LYS 7 CO 0.01 0.13 1.33 -0.51 0.16 0.00 0.00 175.35 176.47 2jmh s ASP 8 N -0.47 6.89 0.03 1.43 1.11 -1.26 -4.95 116.67 119.44 2jmh s ASP 8 Ca 0.00 2.34 -0.27 0.00 0.18 0.00 0.00 52.55 54.80 2jmh s ASP 8 Cb -0.04 -2.60 -0.17 0.00 1.07 0.00 0.00 42.92 41.18 2jmh s ASP 8 CO -0.00 -0.56 1.30 -0.78 1.18 0.00 0.00 175.17 176.31 2jmh h ASP 9 N 5.95 -0.57 -3.69 0.27 3.58 -2.01 -3.44 116.42 116.51 2jmh h ASP 9 Ca -0.44 -0.07 -0.46 0.00 0.42 0.00 0.00 57.03 56.49 2jmh h ASP 9 Cb 1.21 0.15 0.18 0.00 1.72 0.00 0.00 39.33 42.59 2jmh h ASP 9 CO 0.81 -0.24 0.13 -0.36 -2.88 0.00 0.00 179.24 176.69 2jmh s PHE 10 N -5.03 1.75 0.15 0.28 0.40 -1.26 -5.07 117.98 109.20 2jmh s PHE 10 Ca -0.15 1.23 -0.04 0.00 -0.60 0.00 0.00 56.93 57.37 2jmh s PHE 10 Cb 0.02 -3.18 -0.03 0.00 0.51 0.00 0.00 43.02 40.35 2jmh s PHE 10 CO 0.53 -3.23 0.16 0.50 0.70 0.00 0.00 175.22 173.89 2jmh s ARG 11 N -4.69 1.06 -0.13 0.44 3.52 -1.26 -5.06 118.95 112.81 2jmh s ARG 11 Ca 0.66 -1.34 0.16 0.00 -0.13 0.00 0.00 55.73 55.08 2jmh s ARG 11 Cb -0.22 0.30 0.39 0.00 -1.56 0.00 0.00 34.95 33.87 2jmh s ARG 11 CO 0.61 -0.34 1.19 0.27 -0.81 0.00 0.00 175.30 176.21 2jmh n ASN 12 N -0.16 1.49 -3.73 -2.12 0.23 -1.26 -5.06 115.26 104.64 2jmh n ASN 12 Ca -0.06 -3.20 -0.02 0.00 -0.53 0.00 0.00 54.58 50.77 2jmh n ASN 12 Cb 0.64 -0.44 -0.01 0.00 -2.08 0.00 0.00 39.78 37.88 2jmh n ASN 12 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 2jmh s GLU 13 N -2.13 1.05 -0.35 -3.83 -1.05 -1.26 -5.13 118.70 105.99 2jmh s GLU 13 Ca 0.35 -0.58 0.04 0.00 -0.15 0.00 0.00 54.97 54.63 2jmh s GLU 13 Cb 0.35 0.36 0.10 0.00 -0.44 0.00 0.00 34.13 34.50 2jmh s GLU 13 CO -0.09 -0.48 0.07 -0.06 0.95 0.00 0.00 175.26 175.65 2jmh s PHE 14 N -3.12 3.72 0.20 4.83 0.08 -1.26 -4.96 117.98 117.48 2jmh s PHE 14 Ca 0.13 -3.02 -0.07 0.00 0.12 0.00 0.00 56.93 54.09 2jmh s PHE 14 Cb -0.00 -2.92 0.14 0.00 -0.57 0.00 0.00 43.02 39.67 2jmh s PHE 14 CO 0.01 -0.93 1.65 -0.44 -0.10 0.00 0.00 175.22 175.41 2jmh h ASP 15 N 7.52 0.93 -5.39 1.36 5.19 -2.00 -3.47 116.42 120.57 2jmh h ASP 15 Ca -0.04 -0.29 -0.40 0.00 -0.62 0.00 0.00 57.03 55.68 2jmh h ASP 15 Cb 1.01 -0.25 0.11 0.00 0.18 0.00 0.00 39.33 40.38 2jmh h ASP 15 CO 0.53 1.04 -0.66 1.57 -3.12 0.00 0.00 179.24 178.60 2jmh n HIS 16 N -4.16 -2.57 -2.70 4.55 -0.00 -1.26 -5.00 115.22 104.08 2jmh n HIS 16 Ca 0.02 0.85 -0.22 0.00 0.46 0.00 0.00 57.72 58.82 2jmh n HIS 16 Cb 0.38 -4.85 0.09 0.00 -0.12 0.00 0.00 29.99 25.48 2jmh n HIS 16 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2jmh s LEU 17 N -7.11 3.06 0.00 0.27 1.43 -1.26 -4.90 118.68 110.18 2jmh s LEU 17 Ca 0.49 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2jmh s LEU 17 Cb -0.22 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 43.97 2jmh s LEU 17 CO 0.61 -1.63 0.75 0.18 0.23 0.00 0.00 176.35 176.49 2jmh n LEU 18 N -2.62 0.01 -0.30 1.79 4.77 -1.26 -1.00 117.00 118.40 2jmh n LEU 18 Ca 0.14 0.75 0.08 0.00 -0.03 0.00 0.00 56.01 56.95 2jmh n LEU 18 Cb 0.61 -0.25 0.23 0.00 -2.33 0.00 0.00 43.42 41.67 2jmh n LEU 18 CO 0.42 -0.25 1.10 0.40 -1.33 0.00 0.00 177.39 177.72 2jmh h ILE 19 N 0.00 0.71 -0.02 -0.08 1.08 -1.97 -1.05 117.51 116.17 2jmh h ILE 19 Ca 0.00 -0.21 0.03 0.00 -0.39 0.00 0.00 64.86 64.30 2jmh h ILE 19 Cb 0.00 0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 33.75 2jmh h ILE 19 CO 0.00 0.11 -0.30 -0.33 -0.69 0.00 0.00 178.15 176.94 2jmh h GLU 20 N 0.61 -0.42 -0.87 2.37 3.07 -1.96 0.16 114.58 117.54 2jmh h GLU 20 Ca 0.47 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 2jmh h GLU 20 Cb 0.69 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.65 2jmh h GLU 20 CO -0.38 -0.28 0.55 1.96 -1.40 0.00 0.00 179.01 179.46 2jmh h GLN 21 N -0.43 1.16 -0.33 2.33 1.08 -0.25 -1.44 115.11 117.22 2jmh h GLN 21 Ca 0.07 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2jmh h GLN 21 Cb 0.53 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 2jmh h GLN 21 CO -0.27 0.79 0.16 0.00 -0.95 0.00 0.00 178.83 178.56 2jmh h ALA 22 N 1.42 0.43 -0.66 3.87 0.00 -0.36 -0.54 119.26 123.42 2jmh h ALA 22 Ca 0.31 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2jmh h ALA 22 Cb -0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2jmh h ALA 22 CO -0.06 -0.01 0.25 -0.91 0.00 0.00 0.00 179.25 178.51 2jmh h ASN 23 N 0.40 0.92 -0.69 0.00 2.35 -0.32 -1.27 115.58 116.96 2jmh h ASN 23 Ca 0.11 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 2jmh h ASN 23 Cb 0.11 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 2jmh h ASN 23 CO -0.01 0.85 0.16 -0.74 -1.65 0.00 0.00 177.43 176.04 2jmh h HIS 24 N 0.93 1.18 0.07 1.19 2.76 -1.07 -0.00 115.15 120.21 2jmh h HIS 24 Ca 0.22 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2jmh h HIS 24 Cb 0.23 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.85 2jmh h HIS 24 CO 0.01 0.96 -0.03 0.00 -1.30 0.00 0.00 177.93 177.57 2jmh h ALA 25 N 1.11 -0.09 -0.13 5.26 0.00 -0.82 -1.55 119.26 123.04 2jmh h ALA 25 Ca 0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2jmh h ALA 25 Cb 0.38 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jmh h ALA 25 CO 0.00 -0.41 -0.13 -0.84 0.00 0.00 0.00 179.25 177.87 2jmh h ILE 26 N -0.36 1.17 0.57 0.00 3.07 -1.18 -1.11 117.51 119.67 2jmh h ILE 26 Ca -0.01 -0.75 -0.03 0.00 1.55 0.00 0.00 64.86 65.62 2jmh h ILE 26 Cb 0.32 1.22 0.01 0.00 -0.27 0.00 0.00 36.82 38.09 2jmh h ILE 26 CO 0.01 0.23 -0.27 -0.08 -1.05 0.00 0.00 178.15 176.99 2jmh h GLU 27 N 0.20 -0.74 -0.60 0.16 4.81 -0.85 0.69 114.58 118.25 2jmh h GLU 27 Ca 0.04 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2jmh h GLU 27 Cb 0.36 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 2jmh h GLU 27 CO 0.02 -0.45 0.33 -0.22 -0.73 0.00 0.00 179.01 177.96 2jmh h LYS 28 N -1.13 0.61 -0.47 1.92 3.64 -1.24 -1.05 116.57 118.85 2jmh h LYS 28 Ca -0.08 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 2jmh h LYS 28 Cb 0.63 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2jmh h LYS 28 CO 0.13 0.41 -0.05 0.78 -2.27 0.00 0.00 179.45 178.44 2jmh h GLY 29 N 0.63 0.87 1.23 5.01 0.00 -1.25 -1.34 103.07 108.21 2jmh h GLY 29 Ca 0.26 -0.62 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 2jmh h GLY 29 CO -0.16 0.57 -0.05 -2.09 0.00 0.00 0.00 176.54 174.82 2jmh h GLU 30 N 0.74 0.92 0.19 4.80 4.81 -0.23 0.10 114.58 125.92 2jmh h GLU 30 Ca 0.13 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 2jmh h GLU 30 Cb 0.52 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2jmh h GLU 30 CO 0.03 0.94 -0.09 1.25 -0.73 0.00 0.00 179.01 180.41 2jmh h HIS 31 N 0.84 -0.24 -0.20 0.92 2.76 -1.01 -1.08 115.15 117.14 2jmh h HIS 31 Ca 0.15 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2jmh h HIS 31 Cb 0.56 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 2jmh h HIS 31 CO 0.03 0.16 0.09 -0.56 -1.30 0.00 0.00 177.93 176.36 2jmh h GLN 32 N -0.78 0.26 -0.02 5.26 -0.00 -1.27 -1.64 115.11 116.93 2jmh h GLN 32 Ca -0.03 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 2jmh h GLN 32 Cb 0.51 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.94 2jmh h GLN 32 CO 0.04 0.21 -0.05 1.25 -0.00 0.00 0.00 178.83 180.28 2jmh h LEU 33 N 0.27 0.08 -1.07 0.06 7.12 -0.96 -0.97 115.31 119.84 2jmh h LEU 33 Ca 0.07 -0.60 0.05 0.00 0.13 0.00 0.00 57.88 57.53 2jmh h LEU 33 Cb 0.03 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.08 2jmh h LEU 33 CO -0.01 0.67 0.62 -0.07 -0.13 0.00 0.00 178.44 179.52 2jmh h LEU 34 N -0.50 1.00 -0.14 2.25 3.38 -0.88 0.21 115.31 120.63 2jmh h LEU 34 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2jmh h LEU 34 Cb 0.66 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jmh h LEU 34 CO 0.01 0.66 -0.35 0.22 0.09 0.00 0.00 178.44 179.07 2jmh h TYR 35 N 1.15 0.63 -0.01 1.13 3.20 -1.33 -3.13 116.97 118.60 2jmh h TYR 35 Ca 0.40 -0.24 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2jmh h TYR 35 Cb 0.12 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2jmh h TYR 35 CO -0.00 0.97 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.31 2jmh h LEU 36 N 0.10 0.02 -0.97 2.82 -0.00 -0.70 -2.50 115.31 114.08 2jmh h LEU 36 Ca -0.00 -0.00 0.18 0.00 -0.00 0.00 0.00 57.88 58.05 2jmh h LEU 36 Cb 0.96 -0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.52 2jmh h LEU 36 CO 0.08 0.14 0.57 -0.61 -0.00 0.00 0.00 178.44 178.61 2jmh h GLN 37 N 0.02 0.72 0.42 1.13 4.15 -0.91 -1.23 115.11 119.41 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 0.22 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2jmh h GLN 37 CO 0.02 0.47 -0.20 1.25 -1.93 0.00 0.00 178.83 178.44 2jmh h HIS 38 N 0.74 -0.52 -0.94 3.99 2.76 -1.57 -1.22 115.15 118.39 2jmh h HIS 38 Ca 0.55 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.82 2jmh h HIS 38 Cb 0.83 0.17 -0.08 0.00 1.55 0.00 0.00 27.41 29.88 2jmh h HIS 38 CO -0.03 -0.32 0.57 1.96 -1.30 0.00 0.00 177.93 178.81 2jmh h GLN 39 N -0.57 0.88 0.22 5.26 1.08 -1.43 -1.42 115.11 119.12 2jmh h GLN 39 Ca -0.06 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 2jmh h GLN 39 Cb 0.44 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2jmh h GLN 39 CO 0.09 0.58 -0.10 1.25 -0.95 0.00 0.00 178.83 179.70 2jmh h LEU 40 N 0.90 -0.25 -0.66 1.46 5.85 -0.98 0.26 115.31 121.89 2jmh h LEU 40 Ca 0.47 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.22 2jmh h LEU 40 Cb 0.47 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 2jmh h LEU 40 CO -0.27 -0.10 0.29 -0.78 -0.34 0.00 0.00 178.44 177.24 2jmh h ASP 41 N -0.38 0.33 0.59 1.25 3.58 -0.65 0.30 116.42 121.44 2jmh h ASP 41 Ca -0.03 0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.38 2jmh h ASP 41 Cb 0.29 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 2jmh h ASP 41 CO 0.05 0.19 -0.56 -0.08 -2.88 0.00 0.00 179.24 175.96 2jmh h GLU 42 N 0.49 0.00 -0.07 0.28 4.57 -1.10 -2.98 114.58 115.77 2jmh h GLU 42 Ca 0.33 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.39 2jmh h GLU 42 Cb 0.40 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2jmh h GLU 42 CO -0.30 0.56 -0.51 1.25 -1.18 0.00 0.00 179.01 178.83 2jmh h LEU 43 N 0.00 0.20 -0.82 1.64 6.46 0.12 0.21 115.31 123.12 2jmh h LEU 43 Ca -0.01 -0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.72 2jmh h LEU 43 Cb 1.00 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.82 2jmh h LEU 43 CO 0.07 0.68 0.50 0.78 -0.62 0.00 0.00 178.44 179.85 2jmh h ASN 44 N 0.15 0.77 0.03 1.25 2.35 -0.85 0.31 115.58 119.58 2jmh h ASN 44 Ca 0.00 0.02 -0.28 0.00 -0.55 0.00 0.00 56.30 55.50 2jmh h ASN 44 Cb 0.96 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 2jmh h ASN 44 CO 0.08 0.49 -1.52 1.21 -1.65 0.00 0.00 177.43 176.03 2jmh n GLU 45 N -4.66 0.62 -0.25 0.81 2.13 -1.17 -4.22 120.64 113.89 2jmh n GLU 45 Ca 0.12 0.48 0.09 0.00 0.66 0.00 0.00 57.16 58.51 2jmh n GLU 45 Cb 0.18 -1.72 0.35 0.00 0.27 0.00 0.00 31.44 30.52 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2jmh h ASN 46 N -0.72 0.70 -5.16 4.31 -1.24 -0.57 -3.45 115.58 109.44 2jmh h ASN 46 Ca -0.39 0.03 -0.32 0.00 0.71 0.00 0.00 56.30 56.33 2jmh h ASN 46 Cb 1.51 -0.12 -0.07 0.00 0.73 0.00 0.00 38.32 40.37 2jmh h ASN 46 CO -0.15 0.40 -0.47 1.17 -1.29 0.00 0.00 177.43 177.09 2jmh n LYS 47 N -4.53 -2.99 -2.45 6.67 3.00 0.11 -4.87 118.16 113.10 2jmh n LYS 47 Ca 0.15 0.43 -0.42 0.00 -0.00 0.00 0.00 58.31 58.47 2jmh n LYS 47 Cb 0.37 -5.09 -0.03 0.00 0.00 0.00 0.00 35.03 30.28 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 -2.53 7.03 0.26 3.14 0.15 -1.26 -4.80 113.70 115.69 2jmh s SER 48 Ca 0.30 1.81 -0.04 0.00 0.70 0.00 0.00 55.95 58.72 2jmh s SER 48 Cb -0.16 -2.56 0.34 0.00 -1.71 0.00 0.00 66.02 61.93 2jmh s SER 48 CO 0.37 -0.61 1.91 0.07 1.20 0.00 0.00 173.24 176.18 2jmh h LYS 49 N 7.54 1.24 -0.18 5.44 -0.00 -1.90 -0.92 116.57 127.78 2jmh h LYS 49 Ca -0.33 -0.07 -0.05 0.00 -0.00 0.00 0.00 60.65 60.19 2jmh h LYS 49 Cb 1.16 -0.28 -0.00 0.00 -0.00 0.00 0.00 32.23 33.10 2jmh h LYS 49 CO 0.89 0.82 -0.10 1.05 -0.00 0.00 0.00 179.45 182.11 2jmh h GLU 50 N 1.27 0.39 -0.85 0.07 4.11 -1.91 -1.47 114.58 116.19 2jmh h GLU 50 Ca 0.40 -0.17 0.03 0.00 0.07 0.00 0.00 59.36 59.69 2jmh h GLU 50 Cb 0.01 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2jmh h GLU 50 CO -0.13 0.70 0.56 1.25 0.07 0.00 0.00 179.01 181.46 2jmh h LEU 51 N 0.07 0.91 0.17 3.06 5.85 -1.87 -1.27 115.31 122.23 2jmh h LEU 51 Ca 0.04 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2jmh h LEU 51 Cb 0.59 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2jmh h LEU 51 CO 0.03 0.63 -0.08 -0.61 -0.34 0.00 0.00 178.44 178.06 2jmh h GLN 52 N 1.06 -0.22 -0.98 1.25 4.15 -1.10 -1.20 115.11 118.07 2jmh h GLN 52 Ca 0.34 0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.95 2jmh h GLN 52 Cb 0.02 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.67 2jmh h GLN 52 CO -0.10 0.18 0.61 0.93 -1.93 0.00 0.00 178.83 178.52 2jmh h GLU 53 N -0.73 0.72 0.15 1.69 4.39 -1.06 0.24 114.58 119.98 2jmh h GLU 53 Ca -0.02 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2jmh h GLU 53 Cb 0.51 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2jmh h GLU 53 CO 0.04 0.48 -0.07 0.87 -1.16 0.00 0.00 179.01 179.16 2jmh h LYS 54 N 0.74 -0.20 -0.87 2.33 1.79 -1.23 -2.81 116.57 116.32 2jmh h LYS 54 Ca 0.53 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 59.11 2jmh h LYS 54 Cb 0.85 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.49 2jmh h LYS 54 CO -0.30 0.23 0.56 0.82 -1.08 0.00 0.00 179.45 179.68 2jmh h ILE 55 N -0.76 0.97 -0.71 1.86 2.04 -0.58 -1.23 117.51 119.09 2jmh h ILE 55 Ca -0.02 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 2jmh h ILE 55 Cb 0.52 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2jmh h ILE 55 CO 0.03 0.16 0.34 0.40 0.00 0.00 0.00 178.15 179.08 2jmh h ILE 56 N 0.86 1.24 0.15 -0.67 2.04 -0.56 0.33 117.51 120.89 2jmh h ILE 56 Ca 0.40 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2jmh h ILE 56 Cb 0.40 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2jmh h ILE 56 CO -0.17 0.28 -0.07 0.03 0.00 0.00 0.00 178.15 178.22 2jmh h ARG 57 N 1.00 -0.19 0.24 2.37 -0.00 -0.99 -0.37 114.38 116.43 2jmh h ARG 57 Ca 0.24 0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.73 2jmh h ARG 57 Cb 0.13 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.15 2jmh h ARG 57 CO -0.03 0.13 -0.11 0.93 0.00 0.00 0.00 179.97 180.88 2jmh h GLU 58 N -0.53 -0.31 -0.62 0.04 5.08 -1.22 -0.94 114.58 116.07 2jmh h GLU 58 Ca -0.02 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2jmh h GLU 58 Cb 0.41 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 2jmh h GLU 58 CO 0.03 -0.10 0.29 1.25 -1.00 0.00 0.00 179.01 179.48 2jmh h LEU 59 N -0.46 0.37 0.33 1.33 6.46 -0.40 0.71 115.31 123.66 2jmh h LEU 59 Ca -0.03 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 2jmh h LEU 59 Cb 0.35 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 2jmh h LEU 59 CO 0.05 0.23 -0.16 -0.78 -0.62 0.00 0.00 178.44 177.17 2jmh h ASP 60 N 0.53 -0.38 -0.08 1.25 3.58 -0.94 0.20 116.42 120.58 2jmh h ASP 60 Ca 0.30 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.77 2jmh h ASP 60 Cb 0.29 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 2jmh h ASP 60 CO -0.24 -0.25 -0.10 0.58 -2.88 0.00 0.00 179.24 176.35 2jmh h VAL 61 N -0.47 0.71 0.61 2.25 2.07 -0.78 0.62 116.25 121.27 2jmh h VAL 61 Ca -0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2jmh h VAL 61 Cb 0.36 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2jmh h VAL 61 CO 0.07 0.00 -0.32 0.58 0.02 0.00 0.00 177.57 177.93 2jmh h VAL 62 N -0.14 0.35 -0.46 2.57 2.07 -0.79 -1.39 116.25 118.46 2jmh h VAL 62 Ca 0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.72 2jmh h VAL 62 Cb 0.23 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2jmh h VAL 62 CO -0.16 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.79 2jmh h ALA 64 N 1.70 -0.52 -0.28 0.00 0.00 -0.26 0.14 119.26 120.04 2jmh h ALA 64 Ca 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2jmh h ALA 64 Cb 0.95 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2jmh h ALA 64 CO -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 179.25 178.73 2jmh h MET 65 N -1.08 0.41 -0.03 0.00 -0.00 -0.77 -1.58 114.93 111.88 2jmh h MET 65 Ca -0.05 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.70 59.55 2jmh h MET 65 Cb 0.48 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.02 2jmh h MET 65 CO 0.09 0.44 -0.05 0.82 -0.00 0.00 0.00 176.91 178.21 2jmh h ILE 66 N 0.40 1.43 -0.06 -0.10 5.03 -0.54 -0.69 117.51 122.98 2jmh h ILE 66 Ca 0.09 -1.35 0.01 0.00 -0.12 0.00 0.00 64.86 63.49 2jmh h ILE 66 Cb 0.27 2.27 -0.01 0.00 -3.03 0.00 0.00 36.82 36.31 2jmh h ILE 66 CO 0.01 0.36 -0.02 -0.33 -0.68 0.00 0.00 178.15 177.48 2jmh h GLU 67 N -0.44 -0.02 -0.15 2.37 4.39 -0.79 0.27 114.58 120.21 2jmh h GLU 67 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2jmh h GLU 67 Cb 0.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2jmh h GLU 67 CO 0.01 -0.01 0.03 0.78 -1.16 0.00 0.00 179.01 178.66 2jmh h GLY 68 N -0.02 0.27 0.95 -3.84 0.00 -1.37 -0.97 103.07 98.11 2jmh h GLY 68 Ca 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 2jmh h GLY 68 CO -0.07 0.16 -0.29 0.00 0.00 0.00 0.00 176.54 176.34 2jmh h ALA 69 N 0.83 -0.80 -0.37 3.60 0.00 -1.00 0.54 119.26 122.06 2jmh h ALA 69 Ca 0.05 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.84 2jmh h ALA 69 Cb 0.28 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2jmh h ALA 69 CO 0.00 -0.92 -0.01 0.37 0.00 0.00 0.00 179.25 178.69 2jmh h GLN 70 N -0.86 0.09 -0.28 0.00 -0.00 -0.51 0.03 115.11 113.58 2jmh h GLN 70 Ca -0.08 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.53 2jmh h GLN 70 Cb 0.64 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.08 2jmh h GLN 70 CO 0.13 0.06 0.02 0.78 0.00 0.00 0.00 178.83 179.82 2jmh h GLY 71 N 0.09 0.44 0.43 2.39 0.00 -1.10 -1.01 103.07 104.31 2jmh h GLY 71 Ca 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2jmh h GLY 71 CO -0.31 0.22 -0.21 0.00 0.00 0.00 0.00 176.54 176.24 2jmh h ALA 72 N 1.63 -0.68 -0.52 3.60 0.00 0.34 -0.69 119.26 122.94 2jmh h ALA 72 Ca 0.09 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2jmh h ALA 72 Cb 0.24 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2jmh h ALA 72 CO 0.00 -0.64 0.12 1.37 0.00 0.00 0.00 179.25 180.10 2jmh h LEU 73 N -0.97 0.03 -0.14 0.00 8.10 -1.05 0.20 115.31 121.48 2jmh h LEU 73 Ca -0.06 0.09 -0.00 0.00 0.11 0.00 0.00 57.88 58.02 2jmh h LEU 73 Cb 0.45 0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.78 2jmh h LEU 73 CO 0.10 0.04 0.08 -0.08 -4.11 0.00 0.00 178.44 174.47 2jmh h GLU 74 N 0.26 0.18 0.00 0.17 4.22 -1.27 0.21 114.58 118.35 2jmh h GLU 74 Ca 0.26 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.66 2jmh h GLU 74 Cb 0.35 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2jmh h GLU 74 CO -0.33 0.16 -0.13 -0.09 -2.18 0.00 0.00 179.01 176.43 2jmh h ARG 75 N 0.16 0.00 0.05 1.92 9.65 -0.43 0.12 114.38 125.84 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 0.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 2jmh h ARG 75 CO -0.01 0.13 -0.02 1.49 2.80 0.00 0.00 179.97 184.36 2jmh h GLU 76 N 0.00 -0.06 0.00 0.20 4.22 0.02 -3.31 114.58 115.65 2jmh h GLU 76 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 2jmh h GLU 76 Cb 0.26 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2jmh h GLU 76 CO 0.02 0.45 -0.11 1.37 -2.18 0.00 0.00 179.01 178.56 2jmh h LEU 77 N -0.96 0.00 -1.70 1.64 8.10 -0.51 -1.53 115.31 120.35 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 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 2jmh h LEU 77 CO 0.01 0.11 0.00 0.11 -4.11 0.00 0.00 178.44 174.56 2jmh h LYS 78 N 0.00 0.00 -1.00 0.17 1.79 -0.84 -2.71 116.57 113.98 2jmh h LYS 78 Ca -0.00 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 58.66 2jmh h LYS 78 Cb 0.27 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.82 2jmh h LYS 78 CO 0.01 0.00 0.61 0.00 -1.08 0.00 0.00 179.45 179.00 2jmh h ARG 79 N 0.00 0.70 -3.61 3.15 2.47 -1.39 -3.43 114.38 112.26 2jmh h ARG 79 Ca 0.00 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.61 2jmh h ARG 79 Cb 0.11 -0.16 -0.13 0.00 -1.65 0.00 0.00 29.97 28.14 2jmh h ARG 79 CO 0.00 0.46 -0.21 0.95 0.56 0.00 0.00 179.97 181.74 2jmh s THR 80 N -5.80 0.09 -0.29 2.04 -4.23 -1.02 -5.08 115.64 101.35 2jmh s THR 80 Ca -0.11 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 2jmh s THR 80 Cb 0.25 -1.38 0.10 0.00 1.34 0.00 0.00 72.50 72.82 2jmh s THR 80 CO 0.80 -0.41 1.04 -0.67 -0.54 0.00 0.00 174.62 174.84 2jmh n ASP 81 N -0.18 -1.10 -4.35 3.99 2.03 -1.26 -4.93 116.55 110.76 2jmh n ASP 81 Ca -0.14 -1.68 -0.45 0.00 0.52 0.00 0.00 54.79 53.05 2jmh n ASP 81 Cb 0.63 0.86 0.00 0.00 -0.72 0.00 0.00 41.12 41.90 2jmh n ASP 81 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2jmh n LEU 82 N -0.51 5.51 -3.65 -2.67 0.00 -1.26 -4.57 117.00 109.85 2jmh n LEU 82 Ca -0.21 -4.87 -0.03 0.00 0.00 0.00 0.00 56.01 50.90 2jmh n LEU 82 Cb 0.66 -1.51 -0.07 0.00 0.00 0.00 0.00 43.42 42.50 2jmh n LEU 82 CO -0.10 1.18 1.08 0.21 0.00 0.00 0.00 177.39 179.77 2jmh s ASN 83 N 1.58 -0.11 0.13 1.96 3.04 -1.26 -5.00 114.94 115.28 2jmh s ASN 83 Ca 0.35 0.22 -0.26 0.00 0.04 0.00 0.00 52.86 53.20 2jmh s ASN 83 Cb -0.07 0.31 -0.04 0.00 -1.54 0.00 0.00 41.25 39.92 2jmh s ASN 83 CO -0.04 -0.04 1.62 0.40 -3.04 0.00 0.00 177.10 176.00 2jmh h ILE 84 N 3.36 0.32 -0.48 -5.21 2.04 -1.99 0.29 117.51 115.84 2jmh h ILE 84 Ca -0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2jmh h ILE 84 Cb 1.19 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2jmh h ILE 84 CO 0.18 0.00 0.30 0.25 0.00 0.00 0.00 178.15 178.88 2jmh h LEU 85 N -0.43 0.57 -0.73 1.44 6.46 -1.99 -1.57 115.31 119.05 2jmh h LEU 85 Ca 0.07 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.83 2jmh h LEU 85 Cb 0.54 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.28 2jmh h LEU 85 CO -0.29 0.44 0.46 -0.33 -0.62 0.00 0.00 178.44 178.10 2jmh h GLU 86 N 0.65 0.86 -0.23 1.25 5.08 -1.79 -1.30 114.58 119.09 2jmh h GLU 86 Ca 0.17 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2jmh h GLU 86 Cb -0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2jmh h GLU 86 CO -0.03 0.57 0.10 -0.09 -1.00 0.00 0.00 179.01 178.56 2jmh h ARG 87 N 0.89 0.34 0.39 2.33 2.43 -0.06 0.12 114.38 120.82 2jmh h ARG 87 Ca 0.30 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2jmh h ARG 87 Cb 0.04 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2jmh h ARG 87 CO -0.12 0.37 -0.31 0.35 -1.51 0.00 0.00 179.97 178.75 2jmh h PHE 88 N 0.24 -0.83 -0.75 2.20 3.57 -0.91 0.25 116.94 120.71 2jmh h PHE 88 Ca 0.08 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2jmh h PHE 88 Cb 0.15 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 2jmh h PHE 88 CO -0.02 -0.46 0.50 -0.91 -2.23 0.00 0.00 178.31 175.19 2jmh h ASN 89 N -0.70 0.86 -0.56 0.41 4.21 -1.22 -1.72 115.58 116.86 2jmh h ASN 89 Ca -0.03 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.44 2jmh h ASN 89 Cb 0.61 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 37.57 2jmh h ASN 89 CO -0.02 0.62 0.30 1.88 -1.29 0.00 0.00 177.43 178.93 2jmh h TYR 90 N 1.01 0.77 0.48 1.19 -1.99 -0.47 0.22 116.97 118.18 2jmh h TYR 90 Ca 0.27 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.96 2jmh h TYR 90 Cb -0.12 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.37 2jmh h TYR 90 CO -0.02 0.56 -0.23 1.49 -0.00 0.00 0.00 178.16 179.96 2jmh h GLU 91 N 0.75 -0.63 -0.20 4.88 4.81 -0.10 -1.20 114.58 122.90 2jmh h GLU 91 Ca 0.20 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2jmh h GLU 91 Cb 0.05 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2jmh h GLU 91 CO -0.03 -0.41 0.12 1.49 -0.73 0.00 0.00 179.01 179.45 2jmh h GLU 92 N -0.67 0.28 -0.35 1.92 4.57 -1.24 -1.07 114.58 118.02 2jmh h GLU 92 Ca -0.07 -0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.16 2jmh h GLU 92 Cb 0.51 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.96 2jmh h GLU 92 CO 0.11 0.24 -0.16 0.00 -1.18 0.00 0.00 179.01 178.02 2jmh h ALA 93 N 1.02 0.11 -0.54 2.92 0.00 -0.50 -0.68 119.26 121.59 2jmh h ALA 93 Ca 0.07 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2jmh h ALA 93 Cb 0.04 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2jmh h ALA 93 CO -0.01 -0.54 0.13 0.37 0.00 0.00 0.00 179.25 179.20 2jmh h GLN 94 N -0.10 0.83 0.07 0.00 4.15 -1.06 -1.56 115.11 117.44 2jmh h GLN 94 Ca 0.18 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.44 2jmh h GLN 94 Cb 0.37 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2jmh h GLN 94 CO -0.42 0.74 -0.13 1.15 -1.93 0.00 0.00 178.83 178.24 2jmh h THR 95 N 0.80 0.69 -0.41 2.39 2.02 0.18 0.23 112.91 118.81 2jmh h THR 95 Ca 0.18 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.31 2jmh h THR 95 Cb 0.29 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2jmh h THR 95 CO -0.00 0.00 0.08 -0.07 0.37 0.00 0.00 175.52 175.90 2jmh h LEU 96 N -0.26 0.64 -0.33 2.58 3.38 -1.11 -1.83 115.31 118.38 2jmh h LEU 96 Ca 0.02 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.76 2jmh h LEU 96 Cb 0.28 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2jmh h LEU 96 CO -0.08 0.73 0.19 0.28 0.09 0.00 0.00 178.44 179.64 2jmh h SER 97 N 0.52 0.31 -0.03 -0.43 0.02 -1.06 -0.59 113.55 112.30 2jmh h SER 97 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2jmh h SER 97 Cb 0.35 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2jmh h SER 97 CO 0.01 0.22 0.02 0.50 -1.14 0.00 0.00 176.83 176.43 2jmh h LYS 98 N 0.39 0.03 -0.13 3.45 3.64 -0.45 -1.15 116.57 122.35 2jmh h LYS 98 Ca 0.13 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2jmh h LYS 98 Cb 0.00 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2jmh h LYS 98 CO -0.06 0.04 -0.07 0.82 -2.27 0.00 0.00 179.45 177.90 2jmh h ILE 99 N 0.02 0.77 -0.55 2.00 2.04 -1.11 -1.39 117.51 119.30 2jmh h ILE 99 Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.93 2jmh h ILE 99 Cb 0.01 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 2jmh h ILE 99 CO -0.00 0.00 0.25 0.25 0.00 0.00 0.00 178.15 178.65 2jmh h LEU 100 N -0.07 0.34 -0.24 1.44 5.85 -0.97 -1.61 115.31 120.05 2jmh h LEU 100 Ca 0.08 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2jmh h LEU 100 Cb 0.18 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2jmh h LEU 100 CO -0.17 0.23 0.03 -0.07 -0.34 0.00 0.00 178.44 178.11 2jmh h LEU 101 N 0.48 -0.02 -0.01 2.25 -0.00 -0.75 -0.80 115.31 116.47 2jmh h LEU 101 Ca 0.25 0.04 0.02 0.00 -0.00 0.00 0.00 57.88 58.20 2jmh h LEU 101 Cb 0.21 0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 40.90 2jmh h LEU 101 CO -0.20 0.02 -0.15 0.11 -0.00 0.00 0.00 178.44 178.22 2jmh h LYS 102 N 0.12 -0.24 -0.87 1.13 1.57 -0.75 -0.93 116.57 116.60 2jmh h LYS 102 Ca 0.11 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.00 2jmh h LYS 102 Cb 0.12 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.41 2jmh h LYS 102 CO -0.16 -0.16 0.52 0.22 -0.57 0.00 0.00 179.45 179.30 2jmh h ASP 103 N -0.25 0.77 -0.43 0.86 1.82 -1.03 -1.32 116.42 116.83 2jmh h ASP 103 Ca 0.05 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 2jmh h ASP 103 Cb 0.31 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 2jmh h ASP 103 CO -0.15 0.45 0.24 -0.07 -1.61 0.00 0.00 179.24 178.10 2jmh h LEU 104 N 0.88 0.54 -0.67 2.28 3.38 -0.52 -1.44 115.31 119.76 2jmh h LEU 104 Ca 0.41 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2jmh h LEU 104 Cb 0.34 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2jmh h LEU 104 CO -0.23 0.47 0.42 0.11 0.09 0.00 0.00 178.44 179.30 2jmh h LYS 105 N 0.57 0.90 0.13 1.13 1.79 -0.37 -1.39 116.57 119.32 2jmh h LYS 105 Ca 0.15 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2jmh h LYS 105 Cb 0.05 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 2jmh h LYS 105 CO -0.02 0.62 -0.06 0.93 -1.08 0.00 0.00 179.45 179.83 2jmh h GLU 106 N 0.91 -0.17 -0.49 3.15 5.08 -0.99 -1.35 114.58 120.72 2jmh h GLU 106 Ca 0.24 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.67 2jmh h GLU 106 Cb -0.06 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 2jmh h GLU 106 CO -0.05 -0.06 0.19 1.79 -1.00 0.00 0.00 179.01 179.88 2jmh h THR 107 N -0.25 0.86 -0.21 1.13 1.35 -1.09 -1.32 112.91 113.39 2jmh h THR 107 Ca -0.02 -0.13 0.01 0.00 -0.55 0.00 0.00 66.41 65.73 2jmh h THR 107 Cb 0.19 0.45 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 2jmh h THR 107 CO 0.03 0.07 0.10 -0.08 -0.25 0.00 0.00 175.52 175.39 2jmh h GLU 108 N 0.38 0.21 -0.10 4.72 4.81 -1.11 -1.24 114.58 122.25 2jmh h GLU 108 Ca 0.23 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 2jmh h GLU 108 Cb 0.22 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 2jmh h GLU 108 CO -0.22 0.14 -0.12 0.37 -0.73 0.00 0.00 179.01 178.45 2jmh h GLN 109 N 0.21 -0.15 -0.33 1.92 5.75 -0.74 -0.96 115.11 120.82 2jmh h GLN 109 Ca 0.09 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.65 2jmh h GLN 109 Cb 0.03 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.57 2jmh h GLN 109 CO -0.07 -0.10 0.05 -0.22 -2.65 0.00 0.00 178.83 175.84 2jmh h LYS 110 N -0.15 0.15 -0.73 1.69 1.63 -1.04 0.16 116.57 118.28 2jmh h LYS 110 Ca 0.08 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.94 2jmh h LYS 110 Cb 0.26 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.80 2jmh h LYS 110 CO -0.19 0.10 0.41 0.28 -3.45 0.00 0.00 179.45 176.59 2jmh h VAL 111 N 0.16 0.94 0.00 2.00 2.07 -0.81 -0.41 116.25 120.20 2jmh h VAL 111 Ca 0.15 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 2jmh h VAL 111 Cb 0.18 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2jmh h VAL 111 CO -0.22 0.13 -0.39 0.11 0.02 0.00 0.00 177.57 177.23 2jmh h LYS 112 N 0.72 0.00 -0.19 1.57 1.57 -0.49 -3.15 116.57 116.60 2jmh h LYS 112 Ca 0.34 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.04 2jmh h LYS 112 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2jmh h LYS 112 CO -0.21 0.39 -0.18 -0.44 -0.57 0.00 0.00 179.45 178.44 2jmh h ASP 113 N 0.00 0.49 -2.70 0.86 3.32 0.88 -3.44 116.42 115.83 2jmh h ASP 113 Ca -0.00 -0.47 -0.56 0.00 0.02 0.00 0.00 57.03 56.02 2jmh h ASP 113 Cb 0.88 -0.14 0.07 0.00 0.22 0.00 0.00 39.33 40.37 2jmh h ASP 113 CO 0.05 0.86 0.79 -0.38 -1.72 0.00 0.00 179.24 178.84 2jmh n ILE 114 N -4.48 0.55 -3.86 0.35 -0.00 -0.52 -4.97 119.36 106.43 2jmh n ILE 114 Ca -0.05 -0.14 -0.35 0.00 -0.00 0.00 0.00 62.75 62.21 2jmh n ILE 114 Cb 0.39 -1.69 -0.08 0.00 -0.00 0.00 0.00 39.64 38.25 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 0.19 3.99 0.31 0.38 -2.07 -1.26 -5.00 119.66 116.21 2jmh s GLN 115 Ca 0.71 -0.25 -0.06 0.00 -1.82 0.00 0.00 55.36 53.93 2jmh s GLN 115 Cb -0.60 -3.31 0.00 0.00 -1.09 0.00 0.00 33.01 28.02 2jmh s GLN 115 CO 0.43 0.36 0.49 0.95 -1.32 0.00 0.00 175.29 176.20 2jmh s THR 116 N 0.16 0.00 -1.54 3.63 -4.23 -1.26 -4.97 115.64 107.43 2jmh s THR 116 Ca 0.07 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 2jmh s THR 116 Cb -0.12 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2jmh s THR 116 CO -0.00 0.00 0.38 1.67 -0.54 0.00 0.00 174.62 176.13