#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 2.71 0.35 -1.09 -1.05 -1.26 -5.14 118.70 113.22 2jmh s GLU 2 Ca 0.00 -0.76 0.07 0.00 -0.15 0.00 0.00 54.97 54.13 2jmh s GLU 2 Cb 0.00 -2.11 -0.02 0.00 -0.44 0.00 0.00 34.13 31.57 2jmh s GLU 2 CO 0.00 0.10 0.40 -3.38 0.95 0.00 0.00 175.26 173.33 2jmh s HIS 3 N 0.52 2.98 0.26 4.83 -3.43 -1.26 -5.13 115.29 114.07 2jmh s HIS 3 Ca -0.15 -0.28 0.06 0.00 -0.80 0.00 0.00 55.06 53.88 2jmh s HIS 3 Cb -0.17 -1.95 -0.03 0.00 -1.43 0.00 0.00 32.58 29.00 2jmh s HIS 3 CO 0.06 0.04 0.32 0.15 -2.00 0.00 0.00 174.74 173.30 2jmh s LYS 4 N -4.11 3.24 0.94 -0.38 1.02 -1.26 -5.11 119.74 114.08 2jmh s LYS 4 Ca 0.44 -0.89 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 2jmh s LYS 4 Cb -0.08 -2.77 0.15 0.00 -0.52 0.00 0.00 37.83 34.61 2jmh s LYS 4 CO 0.29 0.38 1.09 -1.25 -0.92 0.00 0.00 175.35 174.94 2jmh s PRO 5 N -3.96 0.91 -0.35 -1.68 0.04 -1.26 -5.01 135.00 123.69 2jmh s PRO 5 Ca 0.35 0.70 -0.17 0.00 0.04 0.00 0.00 61.00 61.92 2jmh s PRO 5 Cb -0.09 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 2jmh s PRO 5 CO 0.28 -2.45 0.45 0.21 0.04 0.00 0.00 177.00 175.53 2jmh s LYS 6 N -4.95 3.57 -0.21 4.56 2.47 -1.26 -4.92 119.74 119.00 2jmh s LYS 6 Ca 0.64 -0.30 0.14 0.00 -1.56 0.00 0.00 55.97 54.89 2jmh s LYS 6 Cb -0.18 -3.82 0.45 0.00 -1.46 0.00 0.00 37.83 32.82 2jmh s LYS 6 CO 0.57 -0.61 1.19 0.36 0.16 0.00 0.00 175.35 177.02 2jmh n LYS 7 N 5.59 2.03 -4.07 4.03 0.00 -1.26 -5.04 118.16 119.44 2jmh n LYS 7 Ca -0.07 -3.42 -0.14 0.00 -0.00 0.00 0.00 58.31 54.69 2jmh n LYS 7 Cb 0.49 -1.58 -0.13 0.00 -0.00 0.00 0.00 35.03 33.81 2jmh n LYS 7 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2jmh s ASP 8 N -3.25 0.54 -0.05 -5.58 -4.77 -1.26 -5.05 116.67 97.26 2jmh s ASP 8 Ca 0.40 -0.24 0.05 0.00 -3.30 0.00 0.00 52.55 49.47 2jmh s ASP 8 Cb 0.38 -0.01 -0.24 0.00 -1.09 0.00 0.00 42.92 41.95 2jmh s ASP 8 CO -0.04 -0.05 0.64 0.44 0.70 0.00 0.00 175.17 176.86 2jmh h ASP 9 N 5.51 0.16 -5.64 2.11 3.32 -2.06 -3.49 116.42 116.34 2jmh h ASP 9 Ca -0.30 -0.31 -0.31 0.00 0.02 0.00 0.00 57.03 56.13 2jmh h ASP 9 Cb 1.20 -0.05 0.17 0.00 0.22 0.00 0.00 39.33 40.87 2jmh h ASP 9 CO 0.47 1.28 -0.81 0.33 -1.72 0.00 0.00 179.24 178.79 2jmh n PHE 10 N -3.22 -2.25 -4.42 4.55 7.35 -1.26 -5.02 117.46 113.19 2jmh n PHE 10 Ca -0.20 0.89 -0.25 0.00 -0.76 0.00 0.00 57.45 57.14 2jmh n PHE 10 Cb 1.04 -4.66 -0.09 0.00 0.35 0.00 0.00 39.48 36.12 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 -5.11 1.94 -0.06 -4.13 0.52 -1.26 -5.14 118.95 105.71 2jmh s ARG 11 Ca 0.17 -1.77 0.04 0.00 -0.52 0.00 0.00 55.73 53.65 2jmh s ARG 11 Cb -0.02 -1.86 -0.00 0.00 0.52 0.00 0.00 34.95 33.58 2jmh s ARG 11 CO 0.74 0.20 -0.19 1.21 0.02 0.00 0.00 175.30 177.29 2jmh s ASN 12 N -3.64 2.46 0.20 0.23 2.47 -1.26 -5.13 114.94 110.27 2jmh s ASN 12 Ca 0.33 -0.41 -0.04 0.00 0.42 0.00 0.00 52.86 53.15 2jmh s ASN 12 Cb -0.01 -0.82 -0.03 0.00 -1.45 0.00 0.00 41.25 38.94 2jmh s ASN 12 CO 0.18 0.16 0.21 -1.61 -3.72 0.00 0.00 177.10 172.31 2jmh s GLU 13 N 0.13 1.25 -0.39 0.43 8.01 -1.26 -5.09 118.70 121.78 2jmh s GLU 13 Ca -0.08 -1.51 -0.27 0.00 0.01 0.00 0.00 54.97 53.12 2jmh s GLU 13 Cb -0.14 0.32 -0.05 0.00 -4.31 0.00 0.00 34.13 29.95 2jmh s GLU 13 CO 0.04 -0.43 2.25 -0.06 0.01 0.00 0.00 175.26 177.06 2jmh s PHE 14 N -4.11 1.21 0.18 1.61 0.08 -1.26 -4.81 117.98 110.88 2jmh s PHE 14 Ca 0.33 1.07 0.22 0.00 0.12 0.00 0.00 56.93 58.66 2jmh s PHE 14 Cb 0.05 -3.79 0.85 0.00 -0.57 0.00 0.00 43.02 39.56 2jmh s PHE 14 CO 0.10 -3.10 1.80 0.38 -0.10 0.00 0.00 175.22 174.31 2jmh h ASP 15 N 17.09 0.00 -0.65 1.36 2.03 -1.99 -2.98 116.42 131.28 2jmh h ASP 15 Ca -0.31 0.00 0.19 0.00 -0.73 0.00 0.00 57.03 56.18 2jmh h ASP 15 Cb 1.24 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.71 2jmh h ASP 15 CO 1.08 0.28 0.51 0.45 -1.03 0.00 0.00 179.24 180.54 2jmh h HIS 16 N 0.00 0.00 -1.83 4.15 3.86 -2.01 -3.37 115.15 115.94 2jmh h HIS 16 Ca -0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 2jmh h HIS 16 Cb 0.78 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.27 2jmh h HIS 16 CO 0.00 0.00 0.98 1.28 0.86 0.00 0.00 177.93 181.05 2jmh n LEU 17 N -4.16 2.93 0.14 2.43 4.32 -1.13 -4.88 117.00 116.66 2jmh n LEU 17 Ca 0.13 1.02 -0.14 0.00 -0.02 0.00 0.00 56.01 57.00 2jmh n LEU 17 Cb 0.76 -1.27 -0.08 0.00 -1.62 0.00 0.00 43.42 41.20 2jmh n LEU 17 CO 0.35 -0.26 0.51 -0.07 -1.22 0.00 0.00 177.39 176.71 2jmh h LEU 18 N 8.06 -1.27 -0.69 2.23 3.38 -1.92 -1.17 115.31 123.93 2jmh h LEU 18 Ca -0.47 0.12 0.13 0.00 0.09 0.00 0.00 57.88 57.75 2jmh h LEU 18 Cb 1.29 0.46 -0.09 0.00 0.09 0.00 0.00 40.66 42.41 2jmh h LEU 18 CO 0.94 -0.49 0.21 0.40 0.09 0.00 0.00 178.44 179.59 2jmh h ILE 19 N -0.69 0.63 -0.18 1.22 1.08 -1.94 -0.68 117.51 116.95 2jmh h ILE 19 Ca -0.02 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.39 2jmh h ILE 19 Cb 0.66 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 34.60 2jmh h ILE 19 CO -0.18 0.06 -0.26 -0.33 -0.69 0.00 0.00 178.15 176.75 2jmh h GLU 20 N 0.34 -0.29 -0.73 2.37 4.39 -1.75 0.16 114.58 119.07 2jmh h GLU 20 Ca 0.37 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 2jmh h GLU 20 Cb 0.57 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 2jmh h GLU 20 CO -0.42 -0.19 0.41 1.96 -1.16 0.00 0.00 179.01 179.61 2jmh h GLN 21 N -0.30 0.99 -0.17 2.33 4.20 -0.38 -1.54 115.11 120.24 2jmh h GLN 21 Ca 0.12 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2jmh h GLN 21 Cb 0.48 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2jmh h GLN 21 CO -0.35 0.72 0.07 0.00 -0.67 0.00 0.00 178.83 178.60 2jmh h ALA 22 N 1.45 0.22 -0.72 3.87 0.00 0.05 -0.43 119.26 123.69 2jmh h ALA 22 Ca 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jmh h ALA 22 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2jmh h ALA 22 CO -0.04 -0.20 0.36 -0.91 0.00 0.00 0.00 179.25 178.45 2jmh h ASN 23 N 0.13 0.93 -0.72 0.00 2.35 -0.44 -1.31 115.58 116.52 2jmh h ASN 23 Ca 0.06 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 2jmh h ASN 23 Cb 0.15 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2jmh h ASN 23 CO -0.01 0.79 0.17 0.45 -1.65 0.00 0.00 177.43 177.18 2jmh h HIS 24 N 1.00 1.21 0.10 1.19 3.86 -1.13 -0.11 115.15 121.28 2jmh h HIS 24 Ca 0.25 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2jmh h HIS 24 Cb 0.09 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.23 2jmh h HIS 24 CO 0.00 0.98 -0.05 0.00 0.86 0.00 0.00 177.93 179.73 2jmh h ALA 25 N 1.09 -0.13 -0.20 2.45 0.00 -0.72 -1.55 119.26 120.19 2jmh h ALA 25 Ca 0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2jmh h ALA 25 Cb 0.38 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jmh h ALA 25 CO 0.00 -0.46 -0.09 -0.84 0.00 0.00 0.00 179.25 177.86 2jmh h ILE 26 N -0.36 1.18 0.60 0.00 3.07 -1.19 -1.26 117.51 119.55 2jmh h ILE 26 Ca -0.01 -0.76 -0.03 0.00 1.55 0.00 0.00 64.86 65.61 2jmh h ILE 26 Cb 0.30 1.12 0.01 0.00 -0.27 0.00 0.00 36.82 37.98 2jmh h ILE 26 CO 0.02 0.24 -0.29 -0.33 -1.05 0.00 0.00 178.15 176.75 2jmh h GLU 27 N 0.30 -0.78 -0.63 0.16 5.08 -0.85 0.69 114.58 118.55 2jmh h GLU 27 Ca 0.06 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2jmh h GLU 27 Cb 0.35 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 2jmh h GLU 27 CO 0.02 -0.47 0.37 -0.22 -1.00 0.00 0.00 179.01 177.71 2jmh h LYS 28 N -1.09 0.68 -0.36 2.33 3.64 -1.23 -0.97 116.57 119.57 2jmh h LYS 28 Ca -0.08 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 2jmh h LYS 28 Cb 0.67 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2jmh h LYS 28 CO 0.14 0.45 -0.08 0.78 -2.27 0.00 0.00 179.45 178.46 2jmh h GLY 29 N 0.70 0.65 1.40 5.01 0.00 -1.25 -1.44 103.07 108.15 2jmh h GLY 29 Ca 0.27 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 2jmh h GLY 29 CO -0.14 0.41 -0.38 -2.09 0.00 0.00 0.00 176.54 174.34 2jmh h GLU 30 N 0.56 0.66 0.15 4.80 4.22 -0.15 -0.50 114.58 124.33 2jmh h GLU 30 Ca 0.11 -0.33 -0.01 0.00 0.08 0.00 0.00 59.36 59.21 2jmh h GLU 30 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jmh h GLU 30 CO 0.03 0.93 -0.07 0.45 -2.18 0.00 0.00 179.01 178.16 2jmh h HIS 31 N 0.55 -0.19 -0.55 0.92 3.86 -0.95 -0.67 115.15 118.11 2jmh h HIS 31 Ca 0.05 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2jmh h HIS 31 Cb 0.90 0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.41 2jmh h HIS 31 CO 0.04 0.24 0.25 -0.56 0.86 0.00 0.00 177.93 178.76 2jmh h GLN 32 N -0.74 0.78 -0.13 2.45 -0.00 -1.32 -1.54 115.11 114.61 2jmh h GLN 32 Ca -0.02 -0.10 -0.05 0.00 -0.00 0.00 0.00 58.65 58.47 2jmh h GLN 32 Cb 0.52 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.48 27.85 2jmh h GLN 32 CO 0.03 0.62 -0.13 1.25 -0.00 0.00 0.00 178.83 180.61 2jmh h LEU 33 N 0.78 0.34 -0.54 0.06 7.12 -1.11 0.96 115.31 122.92 2jmh h LEU 33 Ca 0.19 -0.48 0.02 0.00 0.13 0.00 0.00 57.88 57.75 2jmh h LEU 33 Cb 0.10 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.10 2jmh h LEU 33 CO -0.02 0.75 0.33 -0.07 -0.13 0.00 0.00 178.44 179.29 2jmh h LEU 34 N -0.06 0.53 -0.53 2.25 3.38 -0.86 0.59 115.31 120.61 2jmh h LEU 34 Ca 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 2jmh h LEU 34 Cb 0.65 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2jmh h LEU 34 CO 0.03 0.37 -0.67 0.22 0.09 0.00 0.00 178.44 178.49 2jmh h TYR 35 N 0.65 0.39 -0.02 1.13 3.20 -1.30 -3.07 116.97 117.95 2jmh h TYR 35 Ca 0.22 -0.16 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 2jmh h TYR 35 Cb 0.02 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 2jmh h TYR 35 CO -0.06 0.87 -0.44 1.25 -1.64 0.00 0.00 178.16 178.14 2jmh h LEU 36 N 0.21 0.05 -0.92 2.82 5.85 -0.27 -3.03 115.31 120.02 2jmh h LEU 36 Ca -0.02 -0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.85 2jmh h LEU 36 Cb 1.21 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.12 2jmh h LEU 36 CO 0.11 0.48 0.51 -0.61 -0.34 0.00 0.00 178.44 178.59 2jmh h GLN 37 N 0.04 0.67 0.17 1.25 4.15 -0.79 -1.28 115.11 119.32 2jmh h GLN 37 Ca -0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2jmh h GLN 37 Cb 0.80 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.34 2jmh h GLN 37 CO 0.06 0.44 -0.08 1.25 -1.93 0.00 0.00 178.83 178.57 2jmh h HIS 38 N 0.69 -0.22 -0.85 3.99 2.76 -1.66 -1.07 115.15 118.79 2jmh h HIS 38 Ca 0.52 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.80 2jmh h HIS 38 Cb 0.76 0.07 -0.08 0.00 1.55 0.00 0.00 27.41 29.71 2jmh h HIS 38 CO -0.06 -0.06 0.48 1.96 -1.30 0.00 0.00 177.93 178.95 2jmh h GLN 39 N -0.33 0.73 -0.14 5.26 1.08 -1.41 -1.34 115.11 118.96 2jmh h GLN 39 Ca -0.02 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2jmh h GLN 39 Cb 0.26 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2jmh h GLN 39 CO 0.04 0.48 0.04 1.25 -0.95 0.00 0.00 178.83 179.69 2jmh h LEU 40 N 0.75 0.22 -0.50 1.46 6.46 -1.05 0.17 115.31 122.82 2jmh h LEU 40 Ca 0.43 -0.22 0.08 0.00 -0.12 0.00 0.00 57.88 58.05 2jmh h LEU 40 Cb 0.49 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.30 2jmh h LEU 40 CO -0.29 0.38 0.12 0.44 -0.62 0.00 0.00 178.44 178.47 2jmh h ASP 41 N 0.04 0.05 0.73 1.25 3.32 -0.42 0.55 116.42 121.95 2jmh h ASP 41 Ca 0.05 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 2jmh h ASP 41 Cb 0.25 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2jmh h ASP 41 CO 0.00 0.06 -0.58 1.05 -1.72 0.00 0.00 179.24 178.05 2jmh h GLU 42 N 0.27 0.00 -0.04 3.56 4.11 -1.18 -3.04 114.58 118.27 2jmh h GLU 42 Ca 0.25 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.57 2jmh h GLU 42 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2jmh h GLU 42 CO -0.30 0.58 -0.47 1.25 0.07 0.00 0.00 179.01 180.14 2jmh h LEU 43 N 0.00 0.10 -0.75 3.06 6.46 0.73 1.00 115.31 125.90 2jmh h LEU 43 Ca -0.01 -0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.79 2jmh h LEU 43 Cb 1.10 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.94 2jmh h LEU 43 CO 0.07 0.55 0.42 0.78 -0.62 0.00 0.00 178.44 179.65 2jmh h ASN 44 N 0.08 0.60 0.03 1.25 2.35 -0.82 0.31 115.58 119.38 2jmh h ASN 44 Ca 0.00 0.04 -0.27 0.00 -0.55 0.00 0.00 56.30 55.52 2jmh h ASN 44 Cb 0.86 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 2jmh h ASN 44 CO 0.06 0.36 -1.49 1.21 -1.65 0.00 0.00 177.43 175.92 2jmh n GLU 45 N -4.78 0.62 -0.24 0.81 2.13 -1.16 -4.20 120.64 113.82 2jmh n GLU 45 Ca 0.11 0.49 0.12 0.00 0.66 0.00 0.00 57.16 58.54 2jmh n GLU 45 Cb 0.24 -1.73 0.40 0.00 0.27 0.00 0.00 31.44 30.62 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 -0.73 0.59 -5.33 4.31 -0.73 -0.77 -3.45 115.58 109.48 2jmh h ASN 46 Ca -0.38 0.03 -0.38 0.00 1.87 0.00 0.00 56.30 57.44 2jmh h ASN 46 Cb 1.50 -0.09 -0.06 0.00 0.27 0.00 0.00 38.32 39.94 2jmh h ASN 46 CO -0.14 0.31 -0.56 0.29 -0.37 0.00 0.00 177.43 176.96 2jmh n LYS 47 N -4.53 -3.53 -2.41 6.67 4.76 0.11 -4.87 118.16 114.35 2jmh n LYS 47 Ca 0.16 0.52 -0.43 0.00 -2.87 0.00 0.00 58.31 55.69 2jmh n LYS 47 Cb 0.46 -5.24 -0.02 0.00 -1.84 0.00 0.00 35.03 28.39 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 -2.71 6.84 0.37 4.39 0.15 -1.26 -4.74 113.70 116.73 2jmh s SER 48 Ca 0.38 1.54 0.06 0.00 0.70 0.00 0.00 55.95 58.64 2jmh s SER 48 Cb -0.20 -2.54 0.76 0.00 -1.71 0.00 0.00 66.02 62.33 2jmh s SER 48 CO 0.47 -0.88 1.96 0.07 1.20 0.00 0.00 173.24 176.07 2jmh h LYS 49 N 8.62 0.71 0.18 5.44 -0.00 -1.89 -0.81 116.57 128.82 2jmh h LYS 49 Ca -0.27 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.65 60.33 2jmh h LYS 49 Cb 1.10 -0.16 0.00 0.00 -0.00 0.00 0.00 32.23 33.17 2jmh h LYS 49 CO 0.99 0.47 -0.09 0.93 -0.00 0.00 0.00 179.45 181.76 2jmh h GLU 50 N 0.73 -0.23 -0.78 0.07 5.08 -1.90 -1.34 114.58 116.21 2jmh h GLU 50 Ca 0.31 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.79 2jmh h GLU 50 Cb 0.28 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 2jmh h GLU 50 CO -0.10 0.14 0.51 1.25 -1.00 0.00 0.00 179.01 179.81 2jmh h LEU 51 N -0.67 0.64 0.41 1.33 5.85 -1.88 0.10 115.31 121.09 2jmh h LEU 51 Ca -0.02 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2jmh h LEU 51 Cb 0.48 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2jmh h LEU 51 CO 0.04 0.38 -0.20 -0.61 -0.34 0.00 0.00 178.44 177.71 2jmh h GLN 52 N 0.71 -0.54 -0.46 1.25 4.15 -1.12 -1.08 115.11 118.02 2jmh h GLN 52 Ca 0.36 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.95 2jmh h GLN 52 Cb 0.46 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 2jmh h GLN 52 CO -0.14 -0.24 0.33 0.93 -1.93 0.00 0.00 178.83 177.78 2jmh h GLU 53 N -1.02 0.00 0.17 1.69 5.08 -0.96 0.02 114.58 119.55 2jmh h GLU 53 Ca -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2jmh h GLU 53 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2jmh h GLU 53 CO 0.09 0.00 -0.08 0.87 -1.00 0.00 0.00 179.01 178.89 2jmh h LYS 54 N 0.00 -0.21 -0.97 2.33 1.79 -0.93 -2.71 116.57 115.86 2jmh h LYS 54 Ca 0.22 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.79 2jmh h LYS 54 Cb 0.89 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 31.52 2jmh h LYS 54 CO -0.00 0.18 0.62 0.82 -1.08 0.00 0.00 179.45 179.99 2jmh h ILE 55 N -0.92 1.03 -0.24 1.86 2.04 -0.67 -1.04 117.51 119.58 2jmh h ILE 55 Ca -0.02 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2jmh h ILE 55 Cb 0.50 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2jmh h ILE 55 CO 0.04 0.19 0.12 0.40 0.00 0.00 0.00 178.15 178.91 2jmh h ILE 56 N 1.07 1.12 0.34 -0.67 2.04 -1.09 0.31 117.51 120.64 2jmh h ILE 56 Ca 0.43 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 2jmh h ILE 56 Cb 0.28 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2jmh h ILE 56 CO -0.19 0.12 -0.16 0.03 0.00 0.00 0.00 178.15 177.95 2jmh h ARG 57 N 0.26 -0.44 0.28 2.37 -0.00 -1.05 0.27 114.38 116.06 2jmh h ARG 57 Ca 0.08 0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.58 2jmh h ARG 57 Cb 0.08 0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.16 2jmh h ARG 57 CO -0.01 -0.25 -0.13 1.49 0.00 0.00 0.00 179.97 181.07 2jmh h GLU 58 N -0.54 -0.36 -0.78 0.04 4.81 -1.17 -1.55 114.58 115.03 2jmh h GLU 58 Ca -0.05 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2jmh h GLU 58 Cb 0.40 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 2jmh h GLU 58 CO 0.08 -0.23 0.51 1.25 -0.73 0.00 0.00 179.01 179.89 2jmh h LEU 59 N -0.38 0.81 0.21 1.64 7.12 -0.36 -1.41 115.31 122.92 2jmh h LEU 59 Ca -0.04 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.96 2jmh h LEU 59 Cb 0.29 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.24 2jmh h LEU 59 CO 0.06 0.55 -0.10 -0.78 -0.13 0.00 0.00 178.44 178.04 2jmh h ASP 60 N 0.93 -0.23 -0.15 1.25 3.58 -0.12 0.38 116.42 122.07 2jmh h ASP 60 Ca 0.32 -0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.73 2jmh h ASP 60 Cb 0.10 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2jmh h ASP 60 CO -0.10 -0.09 0.03 0.58 -2.88 0.00 0.00 179.24 176.78 2jmh h VAL 61 N -0.36 0.94 0.67 2.25 2.07 -0.91 0.14 116.25 121.04 2jmh h VAL 61 Ca -0.03 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2jmh h VAL 61 Cb 0.28 0.84 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2jmh h VAL 61 CO 0.05 0.02 -0.32 0.58 0.02 0.00 0.00 177.57 177.91 2jmh h VAL 62 N 0.09 0.24 -0.40 2.57 2.07 -1.20 -1.45 116.25 118.17 2jmh h VAL 62 Ca 0.06 -0.22 0.12 0.00 0.82 0.00 0.00 66.70 67.48 2jmh h VAL 62 Cb 0.05 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 2jmh h VAL 62 CO -0.08 0.02 0.35 0.00 0.02 0.00 0.00 177.57 177.87 2jmh h ALA 64 N 1.69 -0.46 -0.34 0.00 0.00 -0.44 -0.46 119.26 119.25 2jmh h ALA 64 Ca 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2jmh h ALA 64 Cb 0.88 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2jmh h ALA 64 CO -0.00 -0.46 0.05 0.00 0.00 0.00 0.00 179.25 178.84 2jmh h MET 65 N -1.06 0.50 -0.05 0.00 -0.00 -0.77 -1.51 114.93 112.04 2jmh h MET 65 Ca -0.05 -0.09 -0.02 0.00 -0.00 0.00 0.00 59.70 59.54 2jmh h MET 65 Cb 0.45 -0.08 -0.00 0.00 -0.00 0.00 0.00 31.60 31.96 2jmh h MET 65 CO 0.08 0.49 -0.06 0.82 -0.00 0.00 0.00 176.91 178.24 2jmh h ILE 66 N 0.49 1.39 -0.00 -0.10 5.03 -0.58 -0.63 117.51 123.11 2jmh h ILE 66 Ca 0.11 -1.26 0.01 0.00 -0.12 0.00 0.00 64.86 63.60 2jmh h ILE 66 Cb 0.24 2.13 -0.01 0.00 -3.03 0.00 0.00 36.82 36.15 2jmh h ILE 66 CO 0.00 0.34 -0.04 -0.33 -0.68 0.00 0.00 178.15 177.45 2jmh h GLU 67 N -0.35 -0.06 -0.43 2.37 5.08 -0.89 0.18 114.58 120.48 2jmh h GLU 67 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2jmh h GLU 67 Cb 0.58 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2jmh h GLU 67 CO 0.01 -0.04 0.12 0.78 -1.00 0.00 0.00 179.01 178.88 2jmh h GLY 68 N -0.07 0.72 0.88 -3.84 0.00 -1.35 -1.10 103.07 98.32 2jmh h GLY 68 Ca 0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 2jmh h GLY 68 CO -0.04 0.41 -0.19 0.00 0.00 0.00 0.00 176.54 176.72 2jmh h ALA 69 N 0.98 -0.53 -0.21 3.60 0.00 -0.94 -1.24 119.26 120.92 2jmh h ALA 69 Ca 0.14 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2jmh h ALA 69 Cb 0.28 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2jmh h ALA 69 CO -0.00 -0.73 -0.06 0.37 0.00 0.00 0.00 179.25 178.82 2jmh h GLN 70 N -0.67 -0.02 -0.04 0.00 -0.00 -0.65 0.24 115.11 113.98 2jmh h GLN 70 Ca -0.05 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.62 2jmh h GLN 70 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.93 2jmh h GLN 70 CO 0.09 -0.01 -0.14 0.78 0.00 0.00 0.00 178.83 179.54 2jmh h GLY 71 N -0.02 -0.15 0.90 2.39 0.00 -1.17 0.13 103.07 105.15 2jmh h GLY 71 Ca 0.10 0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 2jmh h GLY 71 CO -0.23 -0.14 -0.21 0.00 0.00 0.00 0.00 176.54 175.96 2jmh h ALA 72 N 0.76 -0.58 -0.52 3.60 0.00 -0.95 -1.33 119.26 120.24 2jmh h ALA 72 Ca 0.06 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2jmh h ALA 72 Cb 0.30 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 2jmh h ALA 72 CO -0.17 -0.77 0.02 1.25 0.00 0.00 0.00 179.25 179.58 2jmh h LEU 73 N -0.69 -0.19 -0.13 0.00 6.46 -0.42 0.82 115.31 121.15 2jmh h LEU 73 Ca -0.06 0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2jmh h LEU 73 Cb 0.50 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 2jmh h LEU 73 CO 0.10 -0.06 0.02 -0.33 -0.62 0.00 0.00 178.44 177.54 2jmh h GLU 74 N 0.13 0.07 0.00 1.25 4.39 -0.66 0.20 114.58 119.97 2jmh h GLU 74 Ca 0.26 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 2jmh h GLU 74 Cb 0.40 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2jmh h GLU 74 CO -0.42 0.04 -0.05 0.00 -1.16 0.00 0.00 179.01 177.42 2jmh h ARG 75 N 0.07 0.00 0.05 2.33 3.08 -0.36 0.27 114.38 119.82 2jmh h ARG 75 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2jmh h ARG 75 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2jmh h ARG 75 CO -0.09 0.05 -0.02 1.49 -1.07 0.00 0.00 179.97 180.33 2jmh h GLU 76 N 0.00 -0.06 0.00 0.04 4.57 0.10 -3.31 114.58 115.92 2jmh h GLU 76 Ca -0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2jmh h GLU 76 Cb 0.09 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2jmh h GLU 76 CO 0.01 0.45 -0.16 1.37 -1.18 0.00 0.00 179.01 179.50 2jmh h LEU 77 N -0.96 0.00 -2.17 1.64 8.10 -0.48 -1.78 115.31 119.66 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 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.77 2jmh h LEU 77 CO 0.01 0.16 0.00 0.11 -4.11 0.00 0.00 178.44 174.61 2jmh h LYS 78 N 0.00 0.00 -0.87 0.17 1.79 -0.56 -2.45 116.57 114.65 2jmh h LYS 78 Ca -0.00 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 58.69 2jmh h LYS 78 Cb 0.35 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.95 2jmh h LYS 78 CO 0.02 0.00 0.60 0.00 -1.08 0.00 0.00 179.45 178.99 2jmh h ARG 79 N 0.00 0.18 -1.99 3.15 2.47 -1.43 -3.42 114.38 113.34 2jmh h ARG 79 Ca 0.00 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 2jmh h ARG 79 Cb 0.07 -0.04 -0.19 0.00 -1.65 0.00 0.00 29.97 28.16 2jmh h ARG 79 CO 0.00 0.12 0.20 0.95 0.56 0.00 0.00 179.97 181.80 2jmh s THR 80 N -5.19 0.00 -0.32 2.04 -4.23 -0.92 -5.08 115.64 101.94 2jmh s THR 80 Ca -0.06 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.47 2jmh s THR 80 Cb 0.22 -1.00 0.11 0.00 1.34 0.00 0.00 72.50 73.17 2jmh s THR 80 CO 0.77 0.00 1.09 -0.67 -0.54 0.00 0.00 174.62 175.27 2jmh n ASP 81 N 0.97 -1.23 -4.38 3.99 2.03 -1.26 -4.92 116.55 111.76 2jmh n ASP 81 Ca -0.19 -1.75 -0.46 0.00 0.52 0.00 0.00 54.79 52.92 2jmh n ASP 81 Cb 0.57 0.98 -0.02 0.00 -0.72 0.00 0.00 41.12 41.93 2jmh n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2jmh s LEU 82 N -2.30 6.08 -0.30 -2.67 1.98 -1.26 -4.53 118.68 115.68 2jmh s LEU 82 Ca 0.06 -2.69 -0.31 0.00 -2.89 0.00 0.00 54.13 48.30 2jmh s LEU 82 Cb 0.11 -2.28 0.19 0.00 0.66 0.00 0.00 46.19 44.87 2jmh s LEU 82 CO -0.03 -0.68 1.39 0.20 -1.89 0.00 0.00 176.35 175.35 2jmh s ASN 83 N 2.49 -0.01 0.04 3.68 0.02 -1.26 -5.00 114.94 114.90 2jmh s ASN 83 Ca 0.26 0.01 -0.29 0.00 -1.02 0.00 0.00 52.86 51.82 2jmh s ASN 83 Cb -0.08 0.01 -0.17 0.00 0.02 0.00 0.00 41.25 41.03 2jmh s ASN 83 CO -0.08 -0.01 1.40 0.40 0.02 0.00 0.00 177.10 178.83 2jmh h ILE 84 N 2.01 0.37 -0.10 0.60 2.04 -1.99 0.70 117.51 121.15 2jmh h ILE 84 Ca -0.06 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2jmh h ILE 84 Cb 1.17 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2jmh h ILE 84 CO 0.21 0.03 0.06 0.25 0.00 0.00 0.00 178.15 178.70 2jmh h LEU 85 N -0.94 0.12 -0.99 1.44 7.12 -1.99 -1.12 115.31 118.95 2jmh h LEU 85 Ca -0.08 -0.06 0.07 0.00 0.13 0.00 0.00 57.88 57.94 2jmh h LEU 85 Cb 0.64 -0.03 -0.07 0.00 -0.53 0.00 0.00 40.66 40.68 2jmh h LEU 85 CO 0.13 0.14 0.64 -0.33 -0.13 0.00 0.00 178.44 178.88 2jmh h GLU 86 N 0.09 1.12 -0.30 1.25 4.39 -1.93 -1.13 114.58 118.07 2jmh h GLU 86 Ca 0.03 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2jmh h GLU 86 Cb 0.05 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 2jmh h GLU 86 CO -0.01 0.74 0.04 -0.09 -1.16 0.00 0.00 179.01 178.53 2jmh h ARG 87 N 1.15 0.51 0.52 2.33 9.65 -0.52 -0.66 114.38 127.36 2jmh h ARG 87 Ca 0.43 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 59.14 2jmh h ARG 87 Cb 0.17 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2jmh h ARG 87 CO -0.18 0.62 -0.30 0.35 2.80 0.00 0.00 179.97 183.26 2jmh h PHE 88 N 0.32 -0.78 -0.62 2.20 3.57 -0.61 0.24 116.94 121.26 2jmh h PHE 88 Ca 0.09 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.62 2jmh h PHE 88 Cb 0.37 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 2jmh h PHE 88 CO 0.03 -0.46 0.36 -0.91 -2.23 0.00 0.00 178.31 175.09 2jmh h ASN 89 N -0.77 0.55 -0.28 0.41 4.21 -1.25 -1.49 115.58 116.96 2jmh h ASN 89 Ca -0.06 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.46 2jmh h ASN 89 Cb 0.62 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.71 2jmh h ASN 89 CO 0.08 0.37 0.14 1.88 -1.29 0.00 0.00 177.43 178.61 2jmh h TYR 90 N 0.68 0.41 0.18 1.19 -1.99 -0.92 0.54 116.97 117.06 2jmh h TYR 90 Ca 0.27 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.99 2jmh h TYR 90 Cb 0.12 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.69 2jmh h TYR 90 CO -0.07 0.36 -0.26 1.49 -0.00 0.00 0.00 178.16 179.68 2jmh h GLU 91 N 0.33 -0.49 -0.42 4.88 4.81 -0.08 -1.19 114.58 122.41 2jmh h GLU 91 Ca 0.10 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2jmh h GLU 91 Cb 0.11 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2jmh h GLU 91 CO -0.01 -0.33 0.27 1.49 -0.73 0.00 0.00 179.01 179.70 2jmh h GLU 92 N -0.51 0.56 -0.46 1.92 4.57 -1.22 -1.07 114.58 118.37 2jmh h GLU 92 Ca 0.01 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.24 2jmh h GLU 92 Cb 0.51 -0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 28.89 2jmh h GLU 92 CO -0.11 0.39 -0.06 0.00 -1.18 0.00 0.00 179.01 178.05 2jmh h ALA 93 N 1.14 0.37 -0.41 2.92 0.00 -0.58 0.22 119.26 122.91 2jmh h ALA 93 Ca 0.15 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2jmh h ALA 93 Cb -0.04 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2jmh h ALA 93 CO -0.03 -0.42 -0.14 0.37 0.00 0.00 0.00 179.25 179.02 2jmh h GLN 94 N 0.05 0.76 0.21 0.00 4.15 -0.97 -1.46 115.11 117.85 2jmh h GLN 94 Ca 0.23 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2jmh h GLN 94 Cb 0.34 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.98 2jmh h GLN 94 CO -0.43 0.87 -0.10 1.15 -1.93 0.00 0.00 178.83 178.38 2jmh h THR 95 N 0.68 0.79 -0.19 2.39 2.02 0.15 0.44 112.91 119.19 2jmh h THR 95 Ca 0.11 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 2jmh h THR 95 Cb 0.63 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2jmh h THR 95 CO 0.04 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.92 2jmh h LEU 96 N -0.28 0.29 -0.68 2.58 3.38 -0.98 -1.76 115.31 117.86 2jmh h LEU 96 Ca -0.03 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.79 2jmh h LEU 96 Cb 0.22 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2jmh h LEU 96 CO 0.05 0.43 0.36 0.77 0.09 0.00 0.00 178.44 180.14 2jmh h SER 97 N 0.13 0.51 0.02 -0.43 4.64 -1.18 -0.04 113.55 117.20 2jmh h SER 97 Ca 0.06 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2jmh h SER 97 Cb 0.25 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2jmh h SER 97 CO -0.00 0.32 -0.01 0.11 -0.87 0.00 0.00 176.83 176.38 2jmh h LYS 98 N 0.65 -0.02 -0.24 4.77 6.56 -0.77 -1.23 116.57 126.29 2jmh h LYS 98 Ca 0.31 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.95 2jmh h LYS 98 Cb 0.25 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.88 2jmh h LYS 98 CO -0.21 0.12 0.01 0.82 -2.06 0.00 0.00 179.45 178.13 2jmh h ILE 99 N -0.16 0.84 -0.29 1.86 2.04 -0.87 -1.44 117.51 119.49 2jmh h ILE 99 Ca -0.00 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.86 2jmh h ILE 99 Cb 0.15 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2jmh h ILE 99 CO 0.00 0.02 0.11 -0.07 0.00 0.00 0.00 178.15 178.21 2jmh h LEU 100 N 0.09 0.13 -0.52 1.44 3.38 -0.94 -1.53 115.31 117.37 2jmh h LEU 100 Ca 0.12 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.19 2jmh h LEU 100 Cb 0.14 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2jmh h LEU 100 CO -0.19 0.11 0.18 -0.07 0.09 0.00 0.00 178.44 178.56 2jmh h LEU 101 N 0.24 0.17 0.10 1.67 3.38 -0.83 -0.91 115.31 119.13 2jmh h LEU 101 Ca 0.13 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2jmh h LEU 101 Cb 0.09 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2jmh h LEU 101 CO -0.12 0.12 -0.09 0.11 0.09 0.00 0.00 178.44 178.55 2jmh h LYS 102 N 0.35 -0.19 -0.81 1.13 1.57 -0.84 -1.25 116.57 116.54 2jmh h LYS 102 Ca 0.25 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.15 2jmh h LYS 102 Cb 0.28 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.56 2jmh h LYS 102 CO -0.26 -0.13 0.44 -0.44 -0.57 0.00 0.00 179.45 178.49 2jmh h ASP 103 N -0.20 0.59 0.06 0.86 5.19 -0.82 -1.39 116.42 120.72 2jmh h ASP 103 Ca 0.00 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2jmh h ASP 103 Cb 0.18 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.65 2jmh h ASP 103 CO -0.02 0.32 -0.03 -0.07 -3.12 0.00 0.00 179.24 176.32 2jmh h LEU 104 N 0.71 -0.07 -0.61 1.55 3.38 -0.80 -0.44 115.31 119.04 2jmh h LEU 104 Ca 0.40 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.39 2jmh h LEU 104 Cb 0.44 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 2jmh h LEU 104 CO -0.28 0.04 0.22 0.11 0.09 0.00 0.00 178.44 178.62 2jmh h LYS 105 N -0.17 0.39 -0.65 1.13 1.57 -0.62 -1.00 116.57 117.22 2jmh h LYS 105 Ca -0.01 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2jmh h LYS 105 Cb 0.15 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2jmh h LYS 105 CO 0.01 0.26 0.11 1.49 -0.57 0.00 0.00 179.45 180.75 2jmh h GLU 106 N 0.40 1.06 0.36 3.15 4.81 -1.09 -1.18 114.58 122.09 2jmh h GLU 106 Ca 0.31 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2jmh h GLU 106 Cb 0.38 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2jmh h GLU 106 CO -0.31 0.96 -0.20 1.15 -0.73 0.00 0.00 179.01 179.88 2jmh h THR 107 N 0.99 0.57 -0.78 0.32 2.02 0.13 -1.51 112.91 114.65 2jmh h THR 107 Ca 0.20 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 2jmh h THR 107 Cb 0.42 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 2jmh h THR 107 CO 0.01 0.00 0.37 1.05 0.37 0.00 0.00 175.52 177.32 2jmh h GLU 108 N -0.53 1.13 -0.01 6.66 4.11 -1.19 -1.29 114.58 123.46 2jmh h GLU 108 Ca -0.04 -0.17 0.03 0.00 0.07 0.00 0.00 59.36 59.25 2jmh h GLU 108 Cb 0.43 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2jmh h GLU 108 CO 0.05 0.88 -0.21 1.96 0.07 0.00 0.00 179.01 181.76 2jmh h GLN 109 N 1.11 -0.31 -0.11 1.06 1.08 -1.00 0.16 115.11 117.10 2jmh h GLN 109 Ca 0.27 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.48 2jmh h GLN 109 Cb 0.13 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2jmh h GLN 109 CO -0.03 -0.21 0.05 0.87 -0.95 0.00 0.00 178.83 178.56 2jmh h LYS 110 N -0.32 0.15 -0.76 1.46 1.57 -1.14 -0.09 116.57 117.44 2jmh h LYS 110 Ca 0.06 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 2jmh h LYS 110 Cb 0.41 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 2jmh h LYS 110 CO -0.20 0.24 0.50 0.28 -0.57 0.00 0.00 179.45 179.70 2jmh h VAL 111 N 0.03 0.91 0.02 0.50 2.07 -0.96 -0.62 116.25 118.20 2jmh h VAL 111 Ca 0.04 -0.21 -0.22 0.00 0.82 0.00 0.00 66.70 67.12 2jmh h VAL 111 Cb 0.14 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2jmh h VAL 111 CO -0.00 0.11 -0.96 0.11 0.02 0.00 0.00 177.57 176.85 2jmh h LYS 112 N 0.63 0.25 -0.43 1.57 1.57 -0.35 -3.28 116.57 116.53 2jmh h LYS 112 Ca 0.36 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2jmh h LYS 112 Cb 0.54 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2jmh h LYS 112 CO -0.13 1.04 0.15 0.22 -0.57 0.00 0.00 179.45 180.15 2jmh h ASP 113 N 0.13 0.63 -2.29 0.86 3.58 0.46 -3.43 116.42 116.35 2jmh h ASP 113 Ca -0.07 -0.20 -0.57 0.00 0.42 0.00 0.00 57.03 56.62 2jmh h ASP 113 Cb 1.61 -0.16 0.04 0.00 1.72 0.00 0.00 39.33 42.54 2jmh h ASP 113 CO 0.15 0.65 0.98 -0.38 -2.88 0.00 0.00 179.24 177.77 2jmh n ILE 114 N -4.58 0.27 -2.90 2.25 -0.00 -0.58 -4.94 119.36 108.89 2jmh n ILE 114 Ca 0.00 -0.05 -0.41 0.00 -0.00 0.00 0.00 62.75 62.30 2jmh n ILE 114 Cb 0.18 -1.83 -0.04 0.00 -0.00 0.00 0.00 39.64 37.94 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 2.33 4.52 0.25 0.38 1.03 -1.26 -4.99 119.66 121.91 2jmh s GLN 115 Ca 0.83 1.16 -0.04 0.00 0.04 0.00 0.00 55.36 57.35 2jmh s GLN 115 Cb -0.61 -3.41 -0.02 0.00 0.03 0.00 0.00 33.01 28.99 2jmh s GLN 115 CO 0.41 0.13 0.31 0.95 -2.54 0.00 0.00 175.29 174.55 2jmh s THR 116 N 0.46 0.00 -2.08 3.63 -4.23 -1.26 -4.93 115.64 107.22 2jmh s THR 116 Ca 0.43 -1.75 0.31 0.00 -1.18 0.00 0.00 61.69 59.50 2jmh s THR 116 Cb -0.20 -2.42 0.85 0.00 1.34 0.00 0.00 72.50 72.07 2jmh s THR 116 CO 0.24 0.00 2.15 1.67 -0.54 0.00 0.00 174.62 178.14