#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 3.14 0.04 -1.09 -6.30 -1.26 -5.05 118.70 108.18 2jmh s GLU 2 Ca 0.00 -2.19 0.06 0.00 -2.50 0.00 0.00 54.97 50.34 2jmh s GLU 2 Cb 0.00 -4.22 -0.03 0.00 0.00 0.00 0.00 34.13 29.88 2jmh s GLU 2 CO 0.00 -1.27 -0.14 -1.58 0.02 0.00 0.00 175.26 172.30 2jmh s HIS 3 N 0.65 2.68 0.56 5.30 2.46 -1.26 -5.13 115.29 120.55 2jmh s HIS 3 Ca 0.12 -0.18 -0.08 0.00 0.47 0.00 0.00 55.06 55.40 2jmh s HIS 3 Cb -0.19 -1.51 -0.03 0.00 -0.13 0.00 0.00 32.58 30.73 2jmh s HIS 3 CO -0.04 0.31 0.92 0.15 -2.47 0.00 0.00 174.74 173.61 2jmh s LYS 4 N -1.51 3.47 -0.34 2.88 1.02 -1.26 -4.99 119.74 119.01 2jmh s LYS 4 Ca 0.16 0.44 -0.29 0.00 0.02 0.00 0.00 55.97 56.30 2jmh s LYS 4 Cb -0.11 -2.22 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 2jmh s LYS 4 CO 0.07 -0.45 1.69 -1.25 -0.92 0.00 0.00 175.35 174.49 2jmh s PRO 5 N -4.99 3.44 -0.02 -1.68 0.04 -1.26 -4.98 135.00 125.55 2jmh s PRO 5 Ca 0.52 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2jmh s PRO 5 Cb -0.11 -4.14 0.02 0.00 0.04 0.00 0.00 34.50 30.32 2jmh s PRO 5 CO 0.49 -1.73 0.02 0.21 0.04 0.00 0.00 177.00 176.03 2jmh s LYS 6 N 5.39 0.02 0.33 4.56 2.47 -1.26 -5.14 119.74 126.11 2jmh s LYS 6 Ca 0.75 0.13 -0.26 0.00 -1.56 0.00 0.00 55.97 55.03 2jmh s LYS 6 Cb -0.21 -0.24 -0.10 0.00 -1.46 0.00 0.00 37.83 35.83 2jmh s LYS 6 CO 0.33 -0.13 0.97 0.21 0.16 0.00 0.00 175.35 176.90 2jmh s LYS 7 N 0.85 4.52 -0.05 4.03 2.47 -1.26 -4.96 119.74 125.34 2jmh s LYS 7 Ca -0.07 1.39 -0.35 0.00 -1.56 0.00 0.00 55.97 55.37 2jmh s LYS 7 Cb -0.10 -2.78 -0.13 0.00 -1.46 0.00 0.00 37.83 33.35 2jmh s LYS 7 CO -0.02 0.21 1.74 -0.25 0.16 0.00 0.00 175.35 177.19 2jmh n ASP 8 N 0.50 3.03 -2.00 1.43 9.92 -1.26 -4.85 116.55 123.33 2jmh n ASP 8 Ca 0.02 1.03 -0.14 0.00 -0.53 0.00 0.00 54.79 55.17 2jmh n ASP 8 Cb 0.50 -1.33 0.21 0.00 -0.64 0.00 0.00 41.12 39.86 2jmh n ASP 8 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2jmh n ASP 9 N 5.32 4.07 -2.54 -2.24 -0.08 -1.26 -4.55 116.55 115.27 2jmh n ASP 9 Ca 0.22 -3.27 -0.34 0.00 -1.51 0.00 0.00 54.79 49.89 2jmh n ASP 9 Cb 0.26 -0.77 0.04 0.00 2.34 0.00 0.00 41.12 42.99 2jmh n ASP 9 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2jmh n PHE 10 N -0.56 2.68 -1.20 -0.67 3.01 -1.26 -4.99 117.46 114.46 2jmh n PHE 10 Ca 0.46 -2.45 -0.30 0.00 1.01 0.00 0.00 57.45 56.17 2jmh n PHE 10 Cb 1.43 -1.28 0.22 0.00 -0.01 0.00 0.00 39.48 39.83 2jmh n PHE 10 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2jmh s ARG 11 N -3.36 -0.57 -0.74 -1.08 1.81 -1.26 -5.01 118.95 108.74 2jmh s ARG 11 Ca 0.55 0.05 -0.01 0.00 -1.72 0.00 0.00 55.73 54.60 2jmh s ARG 11 Cb 0.43 -1.66 0.18 0.00 -0.45 0.00 0.00 34.95 33.45 2jmh s ARG 11 CO -0.21 -3.30 0.58 1.21 -0.68 0.00 0.00 175.30 172.90 2jmh s ASN 12 N -3.89 5.41 -1.02 0.23 2.47 -1.26 -4.97 114.94 111.91 2jmh s ASN 12 Ca 0.69 -3.40 -0.02 0.00 0.42 0.00 0.00 52.86 50.56 2jmh s ASN 12 Cb -0.11 -1.83 0.31 0.00 -1.45 0.00 0.00 41.25 38.17 2jmh s ASN 12 CO 0.56 -0.23 1.50 -0.62 -3.72 0.00 0.00 177.10 174.59 2jmh n GLU 13 N 2.72 4.56 -0.01 0.43 -0.58 -1.26 -4.69 120.64 121.81 2jmh n GLU 13 Ca 0.15 -4.61 -0.10 0.00 -0.42 0.00 0.00 57.16 52.19 2jmh n GLU 13 Cb 0.37 -2.47 -0.14 0.00 -0.57 0.00 0.00 31.44 28.62 2jmh n GLU 13 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 2jmh h PHE 14 N 4.94 0.05 -0.72 -0.32 0.04 -2.03 -3.34 116.94 115.56 2jmh h PHE 14 Ca 0.28 -0.04 0.15 0.00 2.80 0.00 0.00 57.97 61.17 2jmh h PHE 14 Cb 0.54 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.64 2jmh h PHE 14 CO 1.07 1.07 0.49 -0.44 -0.60 0.00 0.00 178.31 179.90 2jmh h ASP 15 N 0.01 0.30 -4.39 2.17 3.32 -2.05 -3.40 116.42 112.38 2jmh h ASP 15 Ca -0.26 0.02 -0.58 0.00 0.02 0.00 0.00 57.03 56.22 2jmh h ASP 15 Cb 1.99 -0.04 -0.29 0.00 0.22 0.00 0.00 39.33 41.20 2jmh h ASP 15 CO 0.09 0.15 -0.85 -1.00 -1.72 0.00 0.00 179.24 175.92 2jmh s HIS 16 N -5.32 1.75 -0.02 4.55 3.76 -1.26 -5.02 115.29 113.73 2jmh s HIS 16 Ca -0.07 -0.33 0.05 0.00 -0.15 0.00 0.00 55.06 54.55 2jmh s HIS 16 Cb 0.21 -1.12 -0.07 0.00 1.11 0.00 0.00 32.58 32.71 2jmh s HIS 16 CO 0.76 -0.03 0.06 1.28 -0.85 0.00 0.00 174.74 175.97 2jmh n LEU 17 N 2.59 0.00 0.15 0.89 4.32 -1.26 -4.56 117.00 119.14 2jmh n LEU 17 Ca -0.15 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.73 2jmh n LEU 17 Cb 0.53 0.05 -0.06 0.00 -1.62 0.00 0.00 43.42 42.32 2jmh n LEU 17 CO 0.24 0.05 0.51 -0.07 -1.22 0.00 0.00 177.39 176.90 2jmh h LEU 18 N 0.00 -0.89 -1.32 2.23 -0.00 -1.96 -1.16 115.31 112.20 2jmh h LEU 18 Ca -0.06 0.08 0.16 0.00 -0.00 0.00 0.00 57.88 58.06 2jmh h LEU 18 Cb 0.72 0.30 -0.07 0.00 -0.00 0.00 0.00 40.66 41.62 2jmh h LEU 18 CO 0.00 -0.40 0.58 0.40 -0.00 0.00 0.00 178.44 179.02 2jmh h ILE 19 N -0.59 0.80 0.19 1.22 1.08 -1.98 -1.04 117.51 117.19 2jmh h ILE 19 Ca -0.03 -0.22 0.01 0.00 -0.39 0.00 0.00 64.86 64.23 2jmh h ILE 19 Cb 0.52 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 2jmh h ILE 19 CO -0.07 0.12 -0.22 -0.33 -0.69 0.00 0.00 178.15 176.95 2jmh h GLU 20 N 0.63 -0.44 -0.76 2.37 4.39 -1.65 0.26 114.58 119.38 2jmh h GLU 20 Ca 0.46 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 60.14 2jmh h GLU 20 Cb 0.82 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 2jmh h GLU 20 CO -0.21 -0.29 0.29 1.96 -1.16 0.00 0.00 179.01 179.60 2jmh h GLN 21 N -0.45 1.13 -0.49 2.33 1.08 -0.44 -1.54 115.11 116.73 2jmh h GLN 21 Ca 0.01 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 56.97 2jmh h GLN 21 Cb 0.44 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2jmh h GLN 21 CO -0.07 0.93 0.18 0.00 -0.95 0.00 0.00 178.83 178.91 2jmh h ALA 22 N 1.21 0.64 -0.62 3.87 0.00 -0.84 -0.87 119.26 122.65 2jmh h ALA 22 Ca 0.25 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2jmh h ALA 22 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jmh h ALA 22 CO -0.02 0.27 0.11 -0.91 0.00 0.00 0.00 179.25 178.70 2jmh h ASN 23 N 0.66 0.98 -0.54 0.00 2.35 -0.24 -1.27 115.58 117.52 2jmh h ASN 23 Ca 0.16 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 2jmh h ASN 23 Cb 0.23 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2jmh h ASN 23 CO -0.01 0.99 0.10 -0.74 -1.65 0.00 0.00 177.43 176.11 2jmh h HIS 24 N 0.93 0.93 0.11 1.19 2.76 -1.10 0.40 115.15 120.37 2jmh h HIS 24 Ca 0.19 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2jmh h HIS 24 Cb 0.42 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.13 2jmh h HIS 24 CO 0.03 0.83 -0.05 0.00 -1.30 0.00 0.00 177.93 177.44 2jmh h ALA 25 N 0.99 -0.15 -0.14 5.26 0.00 -1.00 -1.57 119.26 122.66 2jmh h ALA 25 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2jmh h ALA 25 Cb 0.39 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2jmh h ALA 25 CO 0.01 -0.47 -0.12 -0.84 0.00 0.00 0.00 179.25 177.83 2jmh h ILE 26 N -0.37 1.16 0.41 0.00 3.07 -1.21 -1.44 117.51 119.14 2jmh h ILE 26 Ca -0.02 -0.72 -0.02 0.00 1.55 0.00 0.00 64.86 65.65 2jmh h ILE 26 Cb 0.30 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 38.05 2jmh h ILE 26 CO 0.02 0.22 -0.20 -0.33 -1.05 0.00 0.00 178.15 176.82 2jmh h GLU 27 N 0.21 -0.53 -0.34 0.16 5.08 -0.74 0.64 114.58 119.06 2jmh h GLU 27 Ca 0.04 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2jmh h GLU 27 Cb 0.34 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2jmh h GLU 27 CO 0.02 -0.22 0.18 -0.22 -1.00 0.00 0.00 179.01 177.77 2jmh h LYS 28 N -0.87 0.36 -0.35 2.33 3.64 -1.20 -0.94 116.57 119.54 2jmh h LYS 28 Ca -0.06 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2jmh h LYS 28 Cb 0.55 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2jmh h LYS 28 CO 0.09 0.24 -0.02 0.78 -2.27 0.00 0.00 179.45 178.27 2jmh h GLY 29 N 0.38 0.60 1.23 5.01 0.00 -1.30 -1.46 103.07 107.53 2jmh h GLY 29 Ca 0.14 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 2jmh h GLY 29 CO -0.08 0.35 -0.29 -2.09 0.00 0.00 0.00 176.54 174.42 2jmh h GLU 30 N 0.53 0.87 0.19 4.80 4.81 -0.33 -0.38 114.58 125.06 2jmh h GLU 30 Ca 0.11 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2jmh h GLU 30 Cb 0.38 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2jmh h GLU 30 CO 0.01 1.04 -0.09 1.25 -0.73 0.00 0.00 179.01 180.50 2jmh h HIS 31 N 0.73 -0.23 -0.54 0.92 2.76 -0.91 -0.93 115.15 116.96 2jmh h HIS 31 Ca 0.08 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2jmh h HIS 31 Cb 0.85 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.86 2jmh h HIS 31 CO 0.05 0.16 0.27 -0.56 -1.30 0.00 0.00 177.93 176.55 2jmh h GLN 32 N -0.71 0.74 -0.11 5.26 -0.00 -1.32 -1.63 115.11 117.35 2jmh h GLN 32 Ca -0.03 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.65 58.51 2jmh h GLN 32 Cb 0.49 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.48 27.82 2jmh h GLN 32 CO 0.04 0.57 -0.05 1.25 -0.00 0.00 0.00 178.83 180.63 2jmh h LEU 33 N 0.75 0.23 -0.50 0.06 7.12 -1.06 0.13 115.31 122.04 2jmh h LEU 33 Ca 0.19 -0.42 0.03 0.00 0.13 0.00 0.00 57.88 57.81 2jmh h LEU 33 Cb 0.06 -0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.09 2jmh h LEU 33 CO -0.03 0.60 0.29 -0.07 -0.13 0.00 0.00 178.44 179.10 2jmh h LEU 34 N -0.13 0.46 -0.63 2.25 3.38 -0.89 0.73 115.31 120.48 2jmh h LEU 34 Ca 0.02 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 2jmh h LEU 34 Cb 0.51 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2jmh h LEU 34 CO 0.02 0.32 -0.57 0.22 0.09 0.00 0.00 178.44 178.52 2jmh h TYR 35 N 0.57 0.45 -0.02 1.13 3.20 -1.30 -3.01 116.97 118.00 2jmh h TYR 35 Ca 0.20 -0.16 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 2jmh h TYR 35 Cb 0.04 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 2jmh h TYR 35 CO -0.07 0.84 -0.45 1.25 -1.64 0.00 0.00 178.16 178.09 2jmh h LEU 36 N 0.27 0.04 -1.56 2.82 5.85 -0.17 -2.93 115.31 119.62 2jmh h LEU 36 Ca 0.00 -0.02 0.21 0.00 0.84 0.00 0.00 57.88 58.92 2jmh h LEU 36 Cb 1.08 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 2jmh h LEU 36 CO 0.10 0.49 0.61 -0.61 -0.34 0.00 0.00 178.44 178.68 2jmh h GLN 37 N 0.03 0.34 0.11 1.25 5.75 -0.72 -0.97 115.11 120.90 2jmh h GLN 37 Ca -0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2jmh h GLN 37 Cb 0.81 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.29 2jmh h GLN 37 CO 0.06 0.23 -0.05 0.45 -2.65 0.00 0.00 178.83 176.86 2jmh h HIS 38 N 0.35 -0.14 -0.96 3.99 3.86 -1.65 -0.87 115.15 119.73 2jmh h HIS 38 Ca 0.47 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.74 2jmh h HIS 38 Cb 1.26 0.05 -0.06 0.00 1.06 0.00 0.00 27.41 29.71 2jmh h HIS 38 CO -0.00 0.15 0.61 1.96 0.86 0.00 0.00 177.93 181.51 2jmh h GLN 39 N -0.43 1.09 0.04 2.45 1.08 -1.34 -1.40 115.11 116.60 2jmh h GLN 39 Ca -0.02 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2jmh h GLN 39 Cb 0.35 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2jmh h GLN 39 CO 0.03 0.72 -0.02 1.25 -0.95 0.00 0.00 178.83 179.86 2jmh h LEU 40 N 1.13 -0.05 -0.66 1.46 7.12 -1.20 0.27 115.31 123.37 2jmh h LEU 40 Ca 0.41 -0.26 0.10 0.00 0.13 0.00 0.00 57.88 58.26 2jmh h LEU 40 Cb 0.14 0.01 -0.08 0.00 -0.53 0.00 0.00 40.66 40.21 2jmh h LEU 40 CO -0.17 0.23 0.28 0.44 -0.13 0.00 0.00 178.44 179.09 2jmh h ASP 41 N -0.33 0.30 0.83 1.25 3.32 -0.79 0.03 116.42 121.02 2jmh h ASP 41 Ca -0.01 0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.98 2jmh h ASP 41 Cb 0.30 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2jmh h ASP 41 CO 0.01 0.17 -0.67 1.05 -1.72 0.00 0.00 179.24 178.08 2jmh h GLU 42 N 0.47 0.00 -0.08 3.56 4.11 -1.19 -3.12 114.58 118.32 2jmh h GLU 42 Ca 0.34 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.67 2jmh h GLU 42 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2jmh h GLU 42 CO -0.31 0.67 -0.38 1.25 0.07 0.00 0.00 179.01 180.31 2jmh h LEU 43 N 0.00 0.18 -0.60 3.06 5.85 0.11 0.25 115.31 124.15 2jmh h LEU 43 Ca -0.01 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.73 2jmh h LEU 43 Cb 1.26 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 2jmh h LEU 43 CO 0.09 0.55 0.25 0.78 -0.34 0.00 0.00 178.44 179.77 2jmh h ASN 44 N 0.15 0.29 0.10 1.25 -0.26 -0.99 0.31 115.58 116.43 2jmh h ASN 44 Ca 0.02 0.07 -0.34 0.00 -0.56 0.00 0.00 56.30 55.48 2jmh h ASN 44 Cb 0.74 0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 38.01 2jmh h ASN 44 CO 0.06 0.18 -1.88 -1.84 -1.06 0.00 0.00 177.43 172.89 2jmh n GLU 45 N -4.95 0.73 -0.19 0.81 0.28 -1.15 -4.16 120.64 112.01 2jmh n GLU 45 Ca 0.08 0.32 0.07 0.00 -0.16 0.00 0.00 57.16 57.47 2jmh n GLU 45 Cb 0.25 -1.71 0.36 0.00 1.43 0.00 0.00 31.44 31.76 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2jmh h ASN 46 N -0.12 0.65 -4.67 -1.84 -1.24 -0.41 -3.45 115.58 104.49 2jmh h ASN 46 Ca -0.41 0.01 -0.31 0.00 0.71 0.00 0.00 56.30 56.30 2jmh h ASN 46 Cb 1.91 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 40.79 2jmh h ASN 46 CO 0.03 0.41 -0.44 0.29 -1.29 0.00 0.00 177.43 176.44 2jmh n LYS 47 N -4.49 -2.98 -2.24 6.67 4.76 0.11 -4.87 118.16 115.12 2jmh n LYS 47 Ca 0.11 0.54 -0.42 0.00 -2.87 0.00 0.00 58.31 55.67 2jmh n LYS 47 Cb 0.26 -5.20 -0.03 0.00 -1.84 0.00 0.00 35.03 28.22 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 -2.40 6.87 0.10 4.39 0.15 -1.26 -4.71 113.70 116.84 2jmh s SER 48 Ca 0.21 2.11 -0.20 0.00 0.70 0.00 0.00 55.95 58.77 2jmh s SER 48 Cb -0.11 -2.56 -0.08 0.00 -1.71 0.00 0.00 66.02 61.56 2jmh s SER 48 CO 0.26 -0.70 1.68 0.07 1.20 0.00 0.00 173.24 175.75 2jmh h LYS 49 N 7.71 0.30 -0.24 5.44 2.10 -1.93 -0.49 116.57 129.46 2jmh h LYS 49 Ca -0.38 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.19 2jmh h LYS 49 Cb 1.18 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.45 2jmh h LYS 49 CO 0.90 0.30 -0.02 1.05 -2.00 0.00 0.00 179.45 179.68 2jmh h GLU 50 N 0.21 0.44 -0.98 0.07 4.11 -1.95 -1.32 114.58 115.16 2jmh h GLU 50 Ca 0.07 -0.15 0.05 0.00 0.07 0.00 0.00 59.36 59.41 2jmh h GLU 50 Cb 0.10 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 2jmh h GLU 50 CO -0.01 0.63 0.64 1.25 0.07 0.00 0.00 179.01 181.59 2jmh h LEU 51 N 0.20 1.03 0.36 3.06 5.85 -1.94 -0.12 115.31 123.75 2jmh h LEU 51 Ca 0.07 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2jmh h LEU 51 Cb 0.45 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2jmh h LEU 51 CO 0.02 0.68 -0.17 -0.61 -0.34 0.00 0.00 178.44 178.01 2jmh h GLN 52 N 1.18 -0.47 -0.74 1.25 4.15 -0.96 -1.64 115.11 117.88 2jmh h GLN 52 Ca 0.41 0.03 0.18 0.00 0.77 0.00 0.00 58.65 60.04 2jmh h GLN 52 Cb 0.10 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 2jmh h GLN 52 CO -0.15 -0.15 0.51 0.93 -1.93 0.00 0.00 178.83 178.04 2jmh h GLU 53 N -0.95 0.22 0.19 1.69 5.08 -1.08 0.12 114.58 119.85 2jmh h GLU 53 Ca -0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2jmh h GLU 53 Cb 0.53 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2jmh h GLU 53 CO 0.08 0.15 -0.09 0.87 -1.00 0.00 0.00 179.01 179.02 2jmh h LYS 54 N 0.23 -0.24 -0.79 2.33 1.79 -0.97 -2.71 116.57 116.20 2jmh h LYS 54 Ca 0.36 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.93 2jmh h LYS 54 Cb 1.10 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.75 2jmh h LYS 54 CO -0.08 0.17 0.52 0.82 -1.08 0.00 0.00 179.45 179.80 2jmh h ILE 55 N -0.83 0.99 -0.38 1.86 2.04 -0.58 -1.25 117.51 119.36 2jmh h ILE 55 Ca -0.03 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2jmh h ILE 55 Cb 0.52 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2jmh h ILE 55 CO 0.04 0.14 0.15 0.40 0.00 0.00 0.00 178.15 178.89 2jmh h ILE 56 N 0.79 1.19 0.21 -0.67 2.04 -1.03 0.25 117.51 120.29 2jmh h ILE 56 Ca 0.35 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2jmh h ILE 56 Cb 0.35 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2jmh h ILE 56 CO -0.13 0.21 -0.10 0.03 0.00 0.00 0.00 178.15 178.16 2jmh h ARG 57 N 0.47 -0.27 -0.28 2.37 -0.00 -1.02 0.25 114.38 115.90 2jmh h ARG 57 Ca 0.13 0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.62 2jmh h ARG 57 Cb 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.20 2jmh h ARG 57 CO -0.01 -0.03 0.17 1.49 0.00 0.00 0.00 179.97 181.59 2jmh h GLU 58 N -0.48 0.38 -0.04 0.04 4.81 -1.23 -1.27 114.58 116.79 2jmh h GLU 58 Ca -0.03 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 2jmh h GLU 58 Cb 0.36 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2jmh h GLU 58 CO 0.05 0.30 -0.26 1.25 -0.73 0.00 0.00 179.01 179.62 2jmh h LEU 59 N 0.36 0.07 0.28 1.64 5.85 -0.47 -0.94 115.31 122.09 2jmh h LEU 59 Ca 0.10 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2jmh h LEU 59 Cb 0.02 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2jmh h LEU 59 CO -0.02 0.34 -0.13 -0.78 -0.34 0.00 0.00 178.44 177.51 2jmh h ASP 60 N 0.07 -0.31 -0.82 1.25 3.58 0.04 0.15 116.42 120.38 2jmh h ASP 60 Ca 0.01 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.22 2jmh h ASP 60 Cb 0.50 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.59 2jmh h ASP 60 CO 0.04 0.08 0.37 -0.37 -2.88 0.00 0.00 179.24 176.48 2jmh h VAL 61 N -0.76 1.26 0.39 2.25 -1.51 -1.18 0.89 116.25 117.59 2jmh h VAL 61 Ca -0.04 -0.75 -0.02 0.00 -1.23 0.00 0.00 66.70 64.66 2jmh h VAL 61 Cb 0.50 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 2jmh h VAL 61 CO 0.06 0.32 -0.19 0.58 -1.23 0.00 0.00 177.57 177.11 2jmh h VAL 62 N 1.17 0.48 -0.00 7.19 2.07 -1.20 -1.55 116.25 124.41 2jmh h VAL 62 Ca 0.28 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2jmh h VAL 62 Cb 0.15 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2jmh h VAL 62 CO -0.03 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.65 2jmh h ALA 64 N 2.00 -0.51 -0.57 0.00 0.00 -0.74 -0.64 119.26 118.79 2jmh h ALA 64 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2jmh h ALA 64 Cb 0.01 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2jmh h ALA 64 CO -0.00 -0.51 0.32 0.00 0.00 0.00 0.00 179.25 179.06 2jmh h MET 65 N -1.05 0.78 -0.13 0.00 -0.00 -1.08 -1.44 114.93 112.01 2jmh h MET 65 Ca -0.05 -0.08 -0.04 0.00 -0.00 0.00 0.00 59.70 59.53 2jmh h MET 65 Cb 0.49 -0.16 -0.00 0.00 -0.00 0.00 0.00 31.60 31.92 2jmh h MET 65 CO 0.08 0.57 -0.07 0.82 -0.00 0.00 0.00 176.91 178.32 2jmh h ILE 66 N 0.80 1.32 0.25 -0.10 5.03 -1.01 -0.24 117.51 123.56 2jmh h ILE 66 Ca 0.20 -1.11 -0.01 0.00 -0.12 0.00 0.00 64.86 63.83 2jmh h ILE 66 Cb 0.01 1.78 -0.00 0.00 -3.03 0.00 0.00 36.82 35.58 2jmh h ILE 66 CO -0.03 0.32 -0.15 -0.33 -0.68 0.00 0.00 178.15 177.28 2jmh h GLU 67 N -0.07 -0.37 -0.69 2.37 4.39 -0.82 0.11 114.58 119.50 2jmh h GLU 67 Ca 0.03 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 2jmh h GLU 67 Cb 0.53 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 2jmh h GLU 67 CO 0.02 -0.25 0.28 0.78 -1.16 0.00 0.00 179.01 178.68 2jmh h GLY 68 N -0.38 1.10 0.86 -3.84 0.00 -1.32 -1.26 103.07 98.22 2jmh h GLY 68 Ca -0.03 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 2jmh h GLY 68 CO 0.03 0.56 -0.25 0.00 0.00 0.00 0.00 176.54 176.88 2jmh h ALA 69 N 1.13 -0.70 -0.27 3.60 0.00 -0.86 -1.20 119.26 120.97 2jmh h ALA 69 Ca 0.23 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2jmh h ALA 69 Cb 0.20 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2jmh h ALA 69 CO -0.02 -0.82 -0.05 0.37 0.00 0.00 0.00 179.25 178.73 2jmh h GLN 70 N -0.85 0.02 -0.03 0.00 -0.00 -0.77 0.27 115.11 113.75 2jmh h GLN 70 Ca -0.07 -0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.60 2jmh h GLN 70 Cb 0.60 -0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.04 2jmh h GLN 70 CO 0.12 0.01 -0.14 0.78 0.00 0.00 0.00 178.83 179.60 2jmh h GLY 71 N 0.02 -0.15 0.87 2.39 0.00 -1.21 0.24 103.07 105.23 2jmh h GLY 71 Ca 0.13 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 2jmh h GLY 71 CO -0.26 -0.14 -0.29 0.00 0.00 0.00 0.00 176.54 175.84 2jmh h ALA 72 N 0.76 -0.82 -0.84 3.60 0.00 -0.89 -1.31 119.26 119.76 2jmh h ALA 72 Ca 0.06 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.92 2jmh h ALA 72 Cb 0.30 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 2jmh h ALA 72 CO -0.16 -0.89 0.42 1.25 0.00 0.00 0.00 179.25 179.86 2jmh h LEU 73 N -0.97 0.48 -0.06 0.00 6.46 -0.41 0.56 115.31 121.38 2jmh h LEU 73 Ca -0.08 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2jmh h LEU 73 Cb 0.67 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2jmh h LEU 73 CO 0.14 0.18 0.03 -0.33 -0.62 0.00 0.00 178.44 177.84 2jmh h GLU 74 N 0.58 0.08 0.00 1.25 5.08 -0.42 0.20 114.58 121.36 2jmh h GLU 74 Ca 0.47 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.80 2jmh h GLU 74 Cb 0.69 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jmh h GLU 74 CO -0.38 0.15 -0.10 0.00 -1.00 0.00 0.00 179.01 177.67 2jmh h ARG 75 N -0.00 0.00 0.05 2.33 2.47 -0.15 0.16 114.38 119.24 2jmh h ARG 75 Ca 0.02 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2jmh h ARG 75 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2jmh h ARG 75 CO -0.00 0.10 -0.02 0.93 0.56 0.00 0.00 179.97 181.54 2jmh h GLU 76 N 0.00 -0.06 0.00 0.04 4.39 -0.43 -3.30 114.58 115.21 2jmh h GLU 76 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2jmh h GLU 76 Cb 0.19 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2jmh h GLU 76 CO 0.01 0.44 -0.06 1.37 -1.16 0.00 0.00 179.01 179.61 2jmh h LEU 77 N -0.96 0.00 -0.67 1.33 8.10 -0.50 -1.48 115.31 121.13 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 0.06 0.00 0.29 -4.11 0.00 0.00 178.44 174.69 2jmh n LYS 78 N -3.42 0.13 0.15 0.17 4.76 0.56 -1.67 118.16 118.84 2jmh n LYS 78 Ca -0.02 0.45 0.04 0.00 -2.87 0.00 0.00 58.31 55.92 2jmh n LYS 78 Cb 0.20 -1.79 0.05 0.00 -1.84 0.00 0.00 35.03 31.66 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 0.00 -6.64 1.97 3.08 -1.38 -3.47 114.38 107.94 2jmh h ARG 79 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 2jmh h ARG 79 Cb 0.22 0.00 0.23 0.00 0.08 0.00 0.00 29.97 30.51 2jmh h ARG 79 CO 0.00 0.38 -1.13 0.25 -1.07 0.00 0.00 179.97 178.40 2jmh n THR 80 N -3.17 0.00 -1.88 2.04 -2.24 -0.67 -5.02 114.28 103.34 2jmh n THR 80 Ca 0.02 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2jmh n THR 80 Cb 0.69 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 2jmh n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jmh n ASP 81 N -1.56 0.00 -4.87 3.42 8.00 -1.26 -5.08 116.55 115.20 2jmh n ASP 81 Ca 0.00 -0.95 -0.33 0.00 0.71 0.00 0.00 54.79 54.23 2jmh n ASP 81 Cb 0.63 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.67 2jmh n ASP 81 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2jmh s LEU 82 N 0.00 4.19 -0.28 0.64 0.05 -1.26 -4.96 118.68 117.05 2jmh s LEU 82 Ca 0.00 0.97 -0.26 0.00 0.05 0.00 0.00 54.13 54.88 2jmh s LEU 82 Cb 0.00 -3.64 0.18 0.00 -2.05 0.00 0.00 46.19 40.68 2jmh s LEU 82 CO 0.00 -0.05 1.34 0.21 -0.55 0.00 0.00 176.35 177.30 2jmh s ASN 83 N -2.24 -0.12 0.10 1.48 3.04 -1.26 -5.00 114.94 110.93 2jmh s ASN 83 Ca 0.46 0.21 -0.27 0.00 0.04 0.00 0.00 52.86 53.30 2jmh s ASN 83 Cb -0.12 0.20 -0.11 0.00 -1.54 0.00 0.00 41.25 39.68 2jmh s ASN 83 CO 0.21 -0.06 1.66 0.40 -3.04 0.00 0.00 177.10 176.27 2jmh h ILE 84 N 2.87 0.56 -0.16 -5.21 5.03 -1.98 0.30 117.51 118.91 2jmh h ILE 84 Ca -0.22 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.51 2jmh h ILE 84 Cb 1.19 0.56 -0.01 0.00 -3.03 0.00 0.00 36.82 35.53 2jmh h ILE 84 CO 0.19 0.00 0.08 0.25 -0.68 0.00 0.00 178.15 177.98 2jmh h LEU 85 N -0.41 0.22 -0.72 1.44 7.12 -1.99 -1.56 115.31 119.39 2jmh h LEU 85 Ca 0.01 -0.14 0.05 0.00 0.13 0.00 0.00 57.88 57.94 2jmh h LEU 85 Cb 0.40 -0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 40.42 2jmh h LEU 85 CO -0.07 0.29 0.43 -0.33 -0.13 0.00 0.00 178.44 178.63 2jmh h GLU 86 N 0.13 0.78 -0.33 1.25 5.08 -1.91 -1.29 114.58 118.29 2jmh h GLU 86 Ca 0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2jmh h GLU 86 Cb 0.14 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2jmh h GLU 86 CO -0.01 0.52 0.16 0.00 -1.00 0.00 0.00 179.01 178.68 2jmh h ARG 87 N 0.81 0.48 0.45 2.33 2.47 -0.20 0.17 114.38 120.88 2jmh h ARG 87 Ca 0.31 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.95 2jmh h ARG 87 Cb 0.13 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2jmh h ARG 87 CO -0.16 0.43 -0.30 0.35 0.56 0.00 0.00 179.97 180.85 2jmh h PHE 88 N 0.40 -0.80 -0.75 3.04 3.57 -0.79 0.27 116.94 121.87 2jmh h PHE 88 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2jmh h PHE 88 Cb 0.11 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 2jmh h PHE 88 CO -0.02 -0.46 0.47 -0.91 -2.23 0.00 0.00 178.31 175.17 2jmh h ASN 89 N -0.73 0.89 -0.36 0.41 2.35 -1.21 -1.70 115.58 115.22 2jmh h ASN 89 Ca -0.05 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2jmh h ASN 89 Cb 0.61 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2jmh h ASN 89 CO 0.03 0.67 0.19 1.88 -1.65 0.00 0.00 177.43 178.56 2jmh h TYR 90 N 1.03 0.51 0.37 1.19 -1.99 -0.43 0.14 116.97 117.78 2jmh h TYR 90 Ca 0.27 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.97 2jmh h TYR 90 Cb -0.07 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 38.49 2jmh h TYR 90 CO -0.01 0.41 -0.22 1.49 -0.00 0.00 0.00 178.16 179.82 2jmh h GLU 91 N 0.46 -0.55 -0.20 4.88 4.81 -0.16 -1.21 114.58 122.62 2jmh h GLU 91 Ca 0.13 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2jmh h GLU 91 Cb 0.07 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2jmh h GLU 91 CO -0.02 -0.37 0.13 1.49 -0.73 0.00 0.00 179.01 179.51 2jmh h GLU 92 N -0.57 0.26 -0.40 1.92 4.57 -1.25 -0.65 114.58 118.46 2jmh h GLU 92 Ca -0.04 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.21 2jmh h GLU 92 Cb 0.47 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.92 2jmh h GLU 92 CO 0.04 0.17 -0.12 0.00 -1.18 0.00 0.00 179.01 177.92 2jmh h ALA 93 N 1.08 0.23 -0.38 2.92 0.00 -0.60 -0.49 119.26 122.02 2jmh h ALA 93 Ca 0.07 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2jmh h ALA 93 Cb -0.03 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jmh h ALA 93 CO -0.02 -0.47 -0.05 1.96 0.00 0.00 0.00 179.25 180.66 2jmh h GLN 94 N -0.03 0.64 0.11 0.00 4.20 -0.99 -1.45 115.11 117.59 2jmh h GLN 94 Ca 0.20 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2jmh h GLN 94 Cb 0.33 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2jmh h GLN 94 CO -0.43 0.69 -0.10 1.15 -0.67 0.00 0.00 178.83 179.47 2jmh h THR 95 N 0.59 0.77 -0.40 -0.54 2.02 0.41 0.21 112.91 115.97 2jmh h THR 95 Ca 0.12 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 2jmh h THR 95 Cb 0.45 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2jmh h THR 95 CO 0.02 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.83 2jmh h LEU 96 N -0.23 0.71 -0.68 2.58 3.38 -1.13 -1.68 115.31 118.26 2jmh h LEU 96 Ca 0.00 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.66 2jmh h LEU 96 Cb 0.22 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2jmh h LEU 96 CO -0.02 0.86 0.45 0.77 0.09 0.00 0.00 178.44 180.59 2jmh h SER 97 N 0.55 0.78 0.01 -0.43 4.64 -1.09 -0.46 113.55 117.55 2jmh h SER 97 Ca 0.11 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2jmh h SER 97 Cb 0.50 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2jmh h SER 97 CO 0.02 0.57 -0.01 0.11 -0.87 0.00 0.00 176.83 176.65 2jmh h LYS 98 N 0.92 -0.02 -0.38 4.77 1.57 -0.49 -1.00 116.57 121.95 2jmh h LYS 98 Ca 0.25 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.08 2jmh h LYS 98 Cb -0.11 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 2jmh h LYS 98 CO -0.05 0.22 0.13 0.82 -0.57 0.00 0.00 179.45 179.99 2jmh h ILE 99 N -0.25 0.87 -0.32 1.86 2.04 -1.11 -1.44 117.51 119.15 2jmh h ILE 99 Ca -0.00 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jmh h ILE 99 Cb 0.24 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2jmh h ILE 99 CO 0.00 0.05 0.19 0.25 0.00 0.00 0.00 178.15 178.65 2jmh h LEU 100 N 0.28 0.39 -0.35 1.44 7.12 -1.04 -1.51 115.31 121.65 2jmh h LEU 100 Ca 0.18 -0.06 0.06 0.00 0.13 0.00 0.00 57.88 58.19 2jmh h LEU 100 Cb 0.16 -0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 40.14 2jmh h LEU 100 CO -0.19 0.34 -0.00 -0.07 -0.13 0.00 0.00 178.44 178.38 2jmh h LEU 101 N 0.42 -0.15 0.18 2.25 3.38 -0.73 0.67 115.31 121.33 2jmh h LEU 101 Ca 0.12 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2jmh h LEU 101 Cb 0.02 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2jmh h LEU 101 CO -0.02 -0.04 -0.09 0.50 0.09 0.00 0.00 178.44 178.88 2jmh h LYS 102 N 0.09 -0.25 -0.54 1.13 3.64 -1.07 -1.34 116.57 118.24 2jmh h LYS 102 Ca 0.17 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 2jmh h LYS 102 Cb 0.23 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 2jmh h LYS 102 CO -0.28 -0.17 0.18 -0.44 -2.27 0.00 0.00 179.45 176.47 2jmh h ASP 103 N -0.26 0.16 -0.01 4.20 3.32 -0.89 -1.43 116.42 121.52 2jmh h ASP 103 Ca -0.02 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2jmh h ASP 103 Cb 0.20 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2jmh h ASP 103 CO 0.04 0.11 -0.06 0.25 -1.72 0.00 0.00 179.24 177.85 2jmh h LEU 104 N 0.35 -0.18 -0.32 1.55 5.85 -0.64 -1.31 115.31 120.61 2jmh h LEU 104 Ca 0.27 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.08 2jmh h LEU 104 Cb 0.32 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 2jmh h LEU 104 CO -0.28 -0.09 -0.10 0.11 -0.34 0.00 0.00 178.44 177.73 2jmh h LYS 105 N -0.11 -0.03 -0.09 1.25 1.57 -0.70 -1.30 116.57 117.16 2jmh h LYS 105 Ca 0.03 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2jmh h LYS 105 Cb 0.15 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2jmh h LYS 105 CO -0.07 -0.02 -0.11 1.49 -0.57 0.00 0.00 179.45 180.17 2jmh h GLU 106 N -0.04 -0.13 -0.22 3.15 4.57 -1.02 -1.39 114.58 119.51 2jmh h GLU 106 Ca 0.16 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.40 2jmh h GLU 106 Cb 0.27 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.83 2jmh h GLU 106 CO -0.35 -0.09 -0.25 1.15 -1.18 0.00 0.00 179.01 178.30 2jmh h THR 107 N -0.14 0.38 -0.19 0.32 2.02 -0.69 -1.42 112.91 113.20 2jmh h THR 107 Ca 0.07 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.30 2jmh h THR 107 Cb 0.24 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 2jmh h THR 107 CO -0.17 0.00 -0.13 -0.08 0.37 0.00 0.00 175.52 175.51 2jmh h GLU 108 N -0.27 -0.13 -0.43 6.66 4.57 -0.97 -1.14 114.58 122.87 2jmh h GLU 108 Ca 0.13 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.40 2jmh h GLU 108 Cb 0.47 0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 29.00 2jmh h GLU 108 CO -0.37 -0.08 -0.18 0.37 -1.18 0.00 0.00 179.01 177.56 2jmh h GLN 109 N -0.13 -0.09 -0.43 1.92 4.15 -0.66 0.27 115.11 120.14 2jmh h GLN 109 Ca 0.11 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.57 2jmh h GLN 109 Cb 0.29 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 2jmh h GLN 109 CO -0.27 -0.06 0.21 0.87 -1.93 0.00 0.00 178.83 177.65 2jmh h LYS 110 N -0.10 0.41 0.93 1.69 1.79 -0.78 0.29 116.57 120.80 2jmh h LYS 110 Ca 0.21 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.61 2jmh h LYS 110 Cb 0.42 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2jmh h LYS 110 CO -0.49 0.27 -0.45 0.28 -1.08 0.00 0.00 179.45 177.98 2jmh h VAL 111 N 0.42 0.05 -0.01 0.50 2.07 -0.01 -1.24 116.25 118.02 2jmh h VAL 111 Ca 0.19 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2jmh h VAL 111 Cb 0.10 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2jmh h VAL 111 CO -0.14 0.00 0.02 0.07 0.02 0.00 0.00 177.57 177.54 2jmh h LYS 112 N -1.30 0.00 0.04 1.57 2.10 -0.44 -2.39 116.57 116.15 2jmh h LYS 112 Ca -0.13 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.52 2jmh h LYS 112 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 2jmh h LYS 112 CO 0.21 0.00 -0.02 0.22 -2.00 0.00 0.00 179.45 177.86 2jmh h ASP 113 N 0.00 -0.04 -2.78 7.07 3.58 0.03 -3.45 116.42 120.84 2jmh h ASP 113 Ca 0.00 -0.59 -0.56 0.00 0.42 0.00 0.00 57.03 56.30 2jmh h ASP 113 Cb 0.04 0.01 0.08 0.00 1.72 0.00 0.00 39.33 41.18 2jmh h ASP 113 CO -0.00 0.59 0.77 -0.38 -2.88 0.00 0.00 179.24 177.34 2jmh n ILE 114 N -4.81 0.71 -3.59 2.25 -0.00 -0.51 -4.97 119.36 108.43 2jmh n ILE 114 Ca -0.09 -0.18 -0.36 0.00 -0.00 0.00 0.00 62.75 62.12 2jmh n ILE 114 Cb 0.31 -1.68 -0.06 0.00 -0.00 0.00 0.00 39.64 38.21 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 -0.04 3.78 0.24 0.38 -2.07 -1.26 -4.98 119.66 115.71 2jmh s GLN 115 Ca 0.70 0.23 0.01 0.00 -1.82 0.00 0.00 55.36 54.47 2jmh s GLN 115 Cb -0.59 -3.13 -0.00 0.00 -1.09 0.00 0.00 33.01 28.19 2jmh s GLN 115 CO 0.45 0.65 0.30 0.25 -1.32 0.00 0.00 175.29 175.62 2jmh n THR 116 N 1.47 0.00 0.13 3.63 -2.24 -1.26 -4.93 114.28 111.08 2jmh n THR 116 Ca -0.12 -1.35 0.02 0.00 -2.27 0.00 0.00 64.05 60.32 2jmh n THR 116 Cb 0.53 0.78 0.01 0.00 -2.10 0.00 0.00 70.33 69.55 2jmh n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50