#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 4.59 0.79 2.61 0.41 -1.26 -5.04 118.70 120.80 2jmh s GLU 2 Ca 0.00 1.85 -0.08 0.00 -0.41 0.00 0.00 54.97 56.33 2jmh s GLU 2 Cb 0.00 -3.15 0.13 0.00 -1.78 0.00 0.00 34.13 29.32 2jmh s GLU 2 CO 0.00 0.15 1.11 -3.38 -0.49 0.00 0.00 175.26 172.65 2jmh s HIS 3 N -1.18 2.05 0.29 1.61 -3.43 -1.26 -5.11 115.29 108.26 2jmh s HIS 3 Ca 0.45 0.16 0.11 0.00 -0.80 0.00 0.00 55.06 54.99 2jmh s HIS 3 Cb -0.33 -3.43 -0.05 0.00 -1.43 0.00 0.00 32.58 27.34 2jmh s HIS 3 CO 0.42 -1.91 -0.17 0.15 -2.00 0.00 0.00 174.74 171.23 2jmh s LYS 4 N -5.42 1.75 0.12 -0.38 1.02 -1.26 -5.15 119.74 110.42 2jmh s LYS 4 Ca 0.67 -1.76 -0.02 0.00 0.02 0.00 0.00 55.97 54.87 2jmh s LYS 4 Cb -0.07 -1.79 0.03 0.00 -0.52 0.00 0.00 37.83 35.48 2jmh s LYS 4 CO 0.47 0.31 0.11 -0.35 -0.92 0.00 0.00 175.35 174.97 2jmh n PRO 5 N -0.67 -1.23 -3.83 -1.68 -0.04 -1.26 -5.09 135.00 121.20 2jmh n PRO 5 Ca -0.05 -0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.11 2jmh n PRO 5 Cb 0.60 -0.16 -0.14 0.00 -0.04 0.00 0.00 33.50 33.76 2jmh n PRO 5 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jmh s LYS 6 N -3.25 0.02 0.25 0.54 2.47 -1.26 -5.16 119.74 113.35 2jmh s LYS 6 Ca 0.07 0.10 0.10 0.00 -1.56 0.00 0.00 55.97 54.68 2jmh s LYS 6 Cb -0.01 -0.06 -0.05 0.00 -1.46 0.00 0.00 37.83 36.26 2jmh s LYS 6 CO 0.05 -0.05 -0.10 0.21 0.16 0.00 0.00 175.35 175.62 2jmh s LYS 7 N 0.33 1.99 1.12 4.03 2.20 -1.26 -5.12 119.74 123.03 2jmh s LYS 7 Ca -0.03 -1.52 -0.18 0.00 -0.36 0.00 0.00 55.97 53.88 2jmh s LYS 7 Cb -0.04 -2.01 0.11 0.00 -1.51 0.00 0.00 37.83 34.38 2jmh s LYS 7 CO -0.01 0.37 0.04 -0.40 -0.36 0.00 0.00 175.35 174.98 2jmh n ASP 8 N -0.56 -2.35 0.49 1.43 5.75 -1.26 -4.92 116.55 115.13 2jmh n ASP 8 Ca -0.07 -0.12 -0.20 0.00 -0.01 0.00 0.00 54.79 54.39 2jmh n ASP 8 Cb 0.58 -0.97 -0.10 0.00 -1.03 0.00 0.00 41.12 39.61 2jmh n ASP 8 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2jmh h ASP 9 N -2.08 -1.06 -5.98 -1.12 1.82 -2.08 -3.47 116.42 102.45 2jmh h ASP 9 Ca -0.54 0.03 -0.39 0.00 -0.39 0.00 0.00 57.03 55.74 2jmh h ASP 9 Cb 1.36 0.27 0.09 0.00 0.68 0.00 0.00 39.33 41.73 2jmh h ASP 9 CO 0.39 -0.74 -0.83 0.33 -1.61 0.00 0.00 179.24 176.77 2jmh n PHE 10 N -5.62 -2.00 0.01 0.28 7.35 -1.26 -4.92 117.46 111.30 2jmh n PHE 10 Ca -0.16 0.82 -0.22 0.00 -0.76 0.00 0.00 57.45 57.14 2jmh n PHE 10 Cb 0.50 -4.39 -0.14 0.00 0.35 0.00 0.00 39.48 35.80 2jmh n PHE 10 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2jmh h ARG 11 N -1.81 0.25 -5.82 -4.13 2.43 -2.00 -3.47 114.38 99.83 2jmh h ARG 11 Ca -0.61 -0.43 -0.42 0.00 -0.81 0.00 0.00 59.98 57.71 2jmh h ARG 11 Cb 1.35 0.16 0.10 0.00 -0.42 0.00 0.00 29.97 31.16 2jmh h ARG 11 CO 0.54 1.21 -0.69 0.09 -1.51 0.00 0.00 179.97 179.61 2jmh n ASN 12 N -3.73 -6.07 0.27 -3.80 3.02 -1.26 -4.14 115.26 99.55 2jmh n ASN 12 Ca -0.29 -0.56 0.15 0.00 -0.03 0.00 0.00 54.58 53.84 2jmh n ASN 12 Cb 0.97 -4.79 0.77 0.00 -0.61 0.00 0.00 39.78 36.12 2jmh n ASN 12 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2jmh h GLU 13 N -2.48 0.00 0.00 3.52 4.81 -1.94 -3.16 114.58 115.33 2jmh h GLU 13 Ca -0.57 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2jmh h GLU 13 Cb 1.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.75 2jmh h GLU 13 CO 0.58 0.09 0.00 1.19 -0.73 0.00 0.00 179.01 180.14 2jmh n PHE 14 N -3.48 0.00 0.05 0.92 3.72 -1.26 -3.29 117.46 114.13 2jmh n PHE 14 Ca -0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 2jmh n PHE 14 Cb 0.24 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.42 2jmh n PHE 14 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2jmh h ASP 15 N 0.00 -1.15 -5.06 4.37 3.32 -1.98 -3.47 116.42 112.46 2jmh h ASP 15 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2jmh h ASP 15 Cb 0.00 0.46 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2jmh h ASP 15 CO 0.00 -0.42 0.32 -1.00 -1.72 0.00 0.00 179.24 176.42 2jmh s HIS 16 N -5.94 0.13 -0.12 4.55 3.76 -1.20 -5.05 115.29 111.42 2jmh s HIS 16 Ca -0.16 -0.79 0.15 0.00 -0.15 0.00 0.00 55.06 54.12 2jmh s HIS 16 Cb 0.09 0.83 0.28 0.00 1.11 0.00 0.00 32.58 34.89 2jmh s HIS 16 CO 0.64 -1.50 1.14 1.28 -0.85 0.00 0.00 174.74 175.46 2jmh n LEU 17 N -0.56 2.04 0.11 0.89 4.32 -1.26 -3.58 117.00 118.96 2jmh n LEU 17 Ca -0.08 -2.90 -0.13 0.00 -0.02 0.00 0.00 56.01 52.88 2jmh n LEU 17 Cb 0.60 -0.37 -0.08 0.00 -1.62 0.00 0.00 43.42 41.94 2jmh n LEU 17 CO 0.26 0.75 0.58 -0.07 -1.22 0.00 0.00 177.39 177.70 2jmh h LEU 18 N 0.19 -0.25 0.25 2.23 3.38 -1.94 -1.45 115.31 117.72 2jmh h LEU 18 Ca -0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2jmh h LEU 18 Cb 1.08 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2jmh h LEU 18 CO 0.00 0.11 -0.12 0.40 0.09 0.00 0.00 178.44 178.92 2jmh h ILE 19 N -0.66 0.80 -1.00 1.22 1.08 -1.90 -1.07 117.51 115.99 2jmh h ILE 19 Ca -0.03 -0.63 0.19 0.00 -0.39 0.00 0.00 64.86 64.00 2jmh h ILE 19 Cb 0.46 1.14 -0.10 0.00 -3.07 0.00 0.00 36.82 35.25 2jmh h ILE 19 CO 0.05 0.13 0.61 1.05 -0.69 0.00 0.00 178.15 179.31 2jmh h GLU 20 N -0.67 0.75 -0.27 2.37 -0.00 -1.72 0.25 114.58 115.29 2jmh h GLU 20 Ca -0.03 -0.05 -0.14 0.00 -0.00 0.00 0.00 59.36 59.14 2jmh h GLU 20 Cb 0.47 -0.17 -0.00 0.00 -0.00 0.00 0.00 28.75 29.05 2jmh h GLU 20 CO 0.06 0.50 -0.38 0.37 -0.00 0.00 0.00 179.01 179.55 2jmh h GLN 21 N 0.78 0.74 -0.24 1.06 4.15 -1.19 -1.73 115.11 118.68 2jmh h GLN 21 Ca 0.57 -0.43 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2jmh h GLN 21 Cb 0.88 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 2jmh h GLN 21 CO -0.37 1.05 0.07 0.00 -1.93 0.00 0.00 178.83 177.65 2jmh h ALA 22 N 0.67 0.31 -0.66 3.38 0.00 0.28 -1.14 119.26 122.10 2jmh h ALA 22 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2jmh h ALA 22 Cb 0.97 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2jmh h ALA 22 CO 0.09 -0.05 0.24 -0.97 0.00 0.00 0.00 179.25 178.56 2jmh h ASN 23 N 0.21 0.93 -0.42 0.00 -0.73 -0.62 -1.52 115.58 113.43 2jmh h ASN 23 Ca 0.08 -0.19 -0.02 0.00 1.87 0.00 0.00 56.30 58.04 2jmh h ASN 23 Cb 0.25 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 2jmh h ASN 23 CO -0.00 0.86 0.19 -0.74 -0.37 0.00 0.00 177.43 177.38 2jmh h HIS 24 N 0.94 0.62 0.20 0.67 2.76 -1.19 0.25 115.15 119.40 2jmh h HIS 24 Ca 0.22 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2jmh h HIS 24 Cb 0.24 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.01 2jmh h HIS 24 CO 0.02 0.52 -0.10 0.00 -1.30 0.00 0.00 177.93 177.07 2jmh h ALA 25 N 1.04 -0.27 -0.12 5.26 0.00 -1.02 -1.59 119.26 122.56 2jmh h ALA 25 Ca 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2jmh h ALA 25 Cb 0.14 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jmh h ALA 25 CO -0.02 -0.61 -0.19 -0.84 0.00 0.00 0.00 179.25 177.60 2jmh h ILE 26 N -0.35 1.20 0.26 0.00 3.07 -1.21 -1.68 117.51 118.79 2jmh h ILE 26 Ca -0.03 -0.90 -0.01 0.00 1.55 0.00 0.00 64.86 65.47 2jmh h ILE 26 Cb 0.27 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.14 2jmh h ILE 26 CO 0.04 0.28 -0.12 -0.33 -1.05 0.00 0.00 178.15 176.97 2jmh h GLU 27 N 0.19 -0.34 -0.27 0.16 4.39 -0.21 0.19 114.58 118.68 2jmh h GLU 27 Ca 0.03 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2jmh h GLU 27 Cb 0.45 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2jmh h GLU 27 CO 0.03 -0.10 0.12 -0.22 -1.16 0.00 0.00 179.01 177.69 2jmh h LYS 28 N -0.54 0.40 -0.26 2.33 3.64 -1.19 -1.41 116.57 119.54 2jmh h LYS 28 Ca -0.04 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 2jmh h LYS 28 Cb 0.40 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2jmh h LYS 28 CO 0.06 0.40 -0.06 0.78 -2.27 0.00 0.00 179.45 178.36 2jmh h GLY 29 N 0.30 0.43 0.84 5.01 0.00 -1.30 -1.47 103.07 106.88 2jmh h GLY 29 Ca 0.09 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 2jmh h GLY 29 CO -0.01 0.24 -0.21 -2.09 0.00 0.00 0.00 176.54 174.47 2jmh h GLU 30 N 0.39 0.50 0.37 4.80 4.22 -0.34 -1.04 114.58 123.48 2jmh h GLU 30 Ca 0.08 -0.27 -0.02 0.00 0.08 0.00 0.00 59.36 59.23 2jmh h GLU 30 Cb 0.36 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2jmh h GLU 30 CO 0.02 0.85 -0.18 1.25 -2.18 0.00 0.00 179.01 178.77 2jmh h HIS 31 N 0.17 -0.46 -0.93 0.92 2.76 -1.08 -1.12 115.15 115.41 2jmh h HIS 31 Ca 0.03 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.23 2jmh h HIS 31 Cb 0.76 0.15 -0.06 0.00 1.55 0.00 0.00 27.41 29.81 2jmh h HIS 31 CO 0.08 -0.17 0.60 -0.56 -1.30 0.00 0.00 177.93 176.58 2jmh h GLN 32 N -0.70 1.11 0.20 5.26 -0.00 -1.35 -1.97 115.11 117.66 2jmh h GLN 32 Ca -0.05 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.52 2jmh h GLN 32 Cb 0.49 -0.25 0.00 0.00 -0.00 0.00 0.00 27.48 27.72 2jmh h GLN 32 CO 0.08 0.74 -0.10 1.25 -0.00 0.00 0.00 178.83 180.80 2jmh h LEU 33 N 1.15 -0.23 -0.78 0.06 7.12 -1.10 0.16 115.31 121.69 2jmh h LEU 33 Ca 0.38 -0.04 0.11 0.00 0.13 0.00 0.00 57.88 58.46 2jmh h LEU 33 Cb 0.05 0.06 -0.08 0.00 -0.53 0.00 0.00 40.66 40.16 2jmh h LEU 33 CO -0.14 -0.10 0.40 -0.07 -0.13 0.00 0.00 178.44 178.40 2jmh h LEU 34 N -0.33 0.51 -0.74 2.25 3.38 -0.88 0.33 115.31 119.83 2jmh h LEU 34 Ca -0.03 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2jmh h LEU 34 Cb 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2jmh h LEU 34 CO 0.04 0.27 -0.55 0.22 0.09 0.00 0.00 178.44 178.51 2jmh h TYR 35 N 0.64 0.29 -0.03 1.13 5.03 -1.14 -2.97 116.97 119.91 2jmh h TYR 35 Ca 0.40 -0.10 -0.10 0.00 2.58 0.00 0.00 58.73 61.50 2jmh h TYR 35 Cb 0.46 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 2jmh h TYR 35 CO -0.10 0.73 -0.46 1.25 -1.32 0.00 0.00 178.16 178.26 2jmh h LEU 36 N 0.18 0.08 -1.59 2.82 7.12 0.10 -2.95 115.31 121.07 2jmh h LEU 36 Ca 0.00 -0.04 0.23 0.00 0.13 0.00 0.00 57.88 58.21 2jmh h LEU 36 Cb 1.02 -0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 41.07 2jmh h LEU 36 CO 0.08 0.53 0.63 -0.61 -0.13 0.00 0.00 178.44 178.94 2jmh h GLN 37 N 0.06 0.31 0.36 1.25 5.75 -0.84 -1.18 115.11 120.82 2jmh h GLN 37 Ca 0.00 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2jmh h GLN 37 Cb 0.84 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.32 2jmh h GLN 37 CO 0.06 0.20 -0.17 1.25 -2.65 0.00 0.00 178.83 177.53 2jmh h HIS 38 N 0.32 -0.44 -0.95 3.99 2.76 -1.66 -1.23 115.15 117.93 2jmh h HIS 38 Ca 0.49 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.74 2jmh h HIS 38 Cb 1.37 0.15 -0.07 0.00 1.55 0.00 0.00 27.41 30.40 2jmh h HIS 38 CO -0.00 -0.15 0.61 1.96 -1.30 0.00 0.00 177.93 179.05 2jmh h GLN 39 N -0.72 0.98 0.19 5.26 1.08 -1.39 -1.42 115.11 119.08 2jmh h GLN 39 Ca -0.05 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 2jmh h GLN 39 Cb 0.50 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2jmh h GLN 39 CO 0.08 0.65 -0.09 1.25 -0.95 0.00 0.00 178.83 179.77 2jmh h LEU 40 N 1.01 -0.21 -0.85 1.46 7.12 -1.17 0.25 115.31 122.91 2jmh h LEU 40 Ca 0.43 -0.15 0.11 0.00 0.13 0.00 0.00 57.88 58.40 2jmh h LEU 40 Cb 0.34 0.06 -0.08 0.00 -0.53 0.00 0.00 40.66 40.44 2jmh h LEU 40 CO -0.19 0.03 0.48 -0.78 -0.13 0.00 0.00 178.44 177.85 2jmh h ASP 41 N -0.46 0.67 0.83 1.25 3.58 -0.76 0.07 116.42 121.60 2jmh h ASP 41 Ca -0.03 0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.35 2jmh h ASP 41 Cb 0.35 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2jmh h ASP 41 CO 0.04 0.36 -0.65 -0.08 -2.88 0.00 0.00 179.24 176.03 2jmh h GLU 42 N 0.77 0.00 -0.13 0.28 4.81 -1.15 -3.14 114.58 116.02 2jmh h GLU 42 Ca 0.42 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.53 2jmh h GLU 42 Cb 0.45 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2jmh h GLU 42 CO -0.28 0.65 -0.48 1.25 -0.73 0.00 0.00 179.01 179.42 2jmh h LEU 43 N 0.00 0.36 -0.94 1.64 5.85 0.13 0.21 115.31 122.56 2jmh h LEU 43 Ca -0.01 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.62 2jmh h LEU 43 Cb 1.24 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 2jmh h LEU 43 CO 0.08 0.78 0.59 0.78 -0.34 0.00 0.00 178.44 180.33 2jmh h ASN 44 N 0.27 0.90 0.03 1.25 -0.26 -1.02 0.33 115.58 117.08 2jmh h ASN 44 Ca 0.01 0.03 -0.28 0.00 -0.56 0.00 0.00 56.30 55.50 2jmh h ASN 44 Cb 0.94 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 38.01 2jmh h ASN 44 CO 0.08 0.55 -1.55 1.21 -1.06 0.00 0.00 177.43 176.66 2jmh n GLU 45 N -4.60 0.62 -0.22 0.81 0.00 -1.16 -4.22 120.64 111.88 2jmh n GLU 45 Ca 0.15 0.47 0.10 0.00 0.00 0.00 0.00 57.16 57.88 2jmh n GLU 45 Cb 0.23 -1.72 0.38 0.00 0.00 0.00 0.00 31.44 30.34 2jmh n GLU 45 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 2jmh h ASN 46 N -0.70 0.62 -4.50 4.31 -1.24 -0.52 -3.45 115.58 110.10 2jmh h ASN 46 Ca -0.39 0.02 -0.30 0.00 0.71 0.00 0.00 56.30 56.34 2jmh h ASN 46 Cb 1.53 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 40.44 2jmh h ASN 46 CO -0.14 0.36 -0.41 0.29 -1.29 0.00 0.00 177.43 176.23 2jmh n LYS 47 N -4.51 -2.85 -2.44 6.67 4.76 0.12 -4.88 118.16 115.02 2jmh n LYS 47 Ca 0.14 0.55 -0.43 0.00 -2.87 0.00 0.00 58.31 55.71 2jmh n LYS 47 Cb 0.37 -5.21 -0.02 0.00 -1.84 0.00 0.00 35.03 28.33 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 -2.33 6.99 0.23 4.39 0.15 -1.26 -4.81 113.70 117.06 2jmh s SER 48 Ca 0.17 1.73 -0.08 0.00 0.70 0.00 0.00 55.95 58.46 2jmh s SER 48 Cb -0.09 -2.55 0.23 0.00 -1.71 0.00 0.00 66.02 61.91 2jmh s SER 48 CO 0.20 -0.69 1.88 0.07 1.20 0.00 0.00 173.24 175.90 2jmh h LYS 49 N 7.90 1.02 0.08 5.44 2.10 -1.92 -0.86 116.57 130.32 2jmh h LYS 49 Ca -0.29 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2jmh h LYS 49 Cb 1.12 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 2jmh h LYS 49 CO 0.94 0.68 -0.04 0.93 -2.00 0.00 0.00 179.45 179.96 2jmh h GLU 50 N 1.06 -0.10 -0.90 0.07 5.08 -1.99 -1.25 114.58 116.55 2jmh h GLU 50 Ca 0.32 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.80 2jmh h GLU 50 Cb -0.03 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 2jmh h GLU 50 CO -0.10 0.23 0.58 1.25 -1.00 0.00 0.00 179.01 179.97 2jmh h LEU 51 N -0.44 0.76 0.34 1.33 5.85 -1.92 -0.32 115.31 120.92 2jmh h LEU 51 Ca -0.01 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2jmh h LEU 51 Cb 0.38 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2jmh h LEU 51 CO 0.02 0.42 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.77 2jmh h GLN 52 N 0.83 -0.44 -0.78 1.25 4.15 -1.06 -0.53 115.11 118.52 2jmh h GLN 52 Ca 0.43 0.03 0.19 0.00 0.77 0.00 0.00 58.65 60.07 2jmh h GLN 52 Cb 0.52 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.27 2jmh h GLN 52 CO -0.20 -0.12 0.53 0.93 -1.93 0.00 0.00 178.83 178.05 2jmh h GLU 53 N -0.92 0.24 0.01 1.69 5.08 -0.88 0.25 114.58 120.04 2jmh h GLU 53 Ca -0.05 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2jmh h GLU 53 Cb 0.53 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jmh h GLU 53 CO 0.08 0.16 -0.00 0.87 -1.00 0.00 0.00 179.01 179.11 2jmh h LYS 54 N 0.24 -0.01 0.30 2.33 1.57 -1.01 -2.81 116.57 117.18 2jmh h LYS 54 Ca 0.39 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 2jmh h LYS 54 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2jmh h LYS 54 CO -0.09 0.73 -0.15 0.82 -0.57 0.00 0.00 179.45 180.20 2jmh h ILE 55 N -0.79 0.71 -0.85 1.86 2.04 -0.19 -1.27 117.51 119.03 2jmh h ILE 55 Ca -0.00 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 65.95 2jmh h ILE 55 Cb 0.75 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 2jmh h ILE 55 CO 0.00 0.01 0.55 -0.29 0.00 0.00 0.00 178.15 178.43 2jmh h ILE 56 N -0.44 0.82 0.20 -0.67 2.10 -0.67 0.22 117.51 119.08 2jmh h ILE 56 Ca -0.04 -0.21 -0.01 0.00 1.08 0.00 0.00 64.86 65.68 2jmh h ILE 56 Cb 0.33 0.16 0.00 0.00 -1.09 0.00 0.00 36.82 36.22 2jmh h ILE 56 CO 0.07 0.11 -0.10 0.03 -1.08 0.00 0.00 178.15 177.18 2jmh h ARG 57 N 0.61 -0.26 -0.08 2.19 -0.00 -1.19 0.25 114.38 115.89 2jmh h ARG 57 Ca 0.42 0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.92 2jmh h ARG 57 Cb 0.76 0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.78 2jmh h ARG 57 CO -0.18 0.08 0.05 1.49 0.00 0.00 0.00 179.97 181.41 2jmh h GLU 58 N -0.65 0.11 -0.72 0.04 4.81 -0.61 -1.60 114.58 115.97 2jmh h GLU 58 Ca -0.03 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2jmh h GLU 58 Cb 0.47 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2jmh h GLU 58 CO 0.05 0.11 0.39 1.25 -0.73 0.00 0.00 179.01 180.08 2jmh h LEU 59 N 0.08 0.89 0.31 1.64 5.85 -0.64 -0.76 115.31 122.68 2jmh h LEU 59 Ca 0.03 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2jmh h LEU 59 Cb 0.03 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2jmh h LEU 59 CO -0.01 0.72 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.89 2jmh h ASP 60 N 1.00 -0.35 -0.56 1.25 3.58 -0.59 0.26 116.42 121.01 2jmh h ASP 60 Ca 0.25 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 2jmh h ASP 60 Cb 0.03 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 2jmh h ASP 60 CO -0.04 -0.19 0.34 0.58 -2.88 0.00 0.00 179.24 177.05 2jmh h VAL 61 N -0.50 1.17 0.55 2.25 2.07 -1.11 0.14 116.25 120.82 2jmh h VAL 61 Ca -0.04 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2jmh h VAL 61 Cb 0.37 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2jmh h VAL 61 CO 0.07 0.17 -0.26 0.58 0.02 0.00 0.00 177.57 178.15 2jmh h VAL 62 N 0.75 0.40 0.00 2.57 2.07 -1.04 -1.48 116.25 119.52 2jmh h VAL 62 Ca 0.20 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2jmh h VAL 62 Cb -0.02 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2jmh h VAL 62 CO -0.04 0.04 -0.02 0.00 0.02 0.00 0.00 177.57 177.57 2jmh h ALA 64 N 1.98 -0.60 -0.83 0.00 0.00 -0.46 0.04 119.26 119.40 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 0.03 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2jmh h ALA 64 CO 0.00 -0.59 0.49 0.00 0.00 0.00 0.00 179.25 179.15 2jmh h MET 65 N -1.09 1.14 -0.21 0.00 -0.00 -1.08 -1.49 114.93 112.20 2jmh h MET 65 Ca -0.06 -0.11 -0.04 0.00 -0.00 0.00 0.00 59.70 59.49 2jmh h MET 65 Cb 0.52 -0.24 -0.01 0.00 -0.00 0.00 0.00 31.60 31.88 2jmh h MET 65 CO 0.10 0.81 -0.03 0.82 -0.00 0.00 0.00 176.91 178.61 2jmh h ILE 66 N 1.15 1.27 -0.06 -0.10 5.03 -1.16 -1.10 117.51 122.55 2jmh h ILE 66 Ca 0.30 -0.98 0.01 0.00 -0.12 0.00 0.00 64.86 64.07 2jmh h ILE 66 Cb -0.02 1.50 -0.01 0.00 -3.03 0.00 0.00 36.82 35.25 2jmh h ILE 66 CO -0.05 0.30 -0.02 -0.33 -0.68 0.00 0.00 178.15 177.36 2jmh h GLU 67 N 0.13 -0.01 0.24 2.37 5.08 -0.70 0.25 114.58 121.92 2jmh h GLU 67 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2jmh h GLU 67 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jmh h GLU 67 CO 0.02 -0.01 -0.11 0.78 -1.00 0.00 0.00 179.01 178.69 2jmh h GLY 68 N -0.01 -0.33 0.94 -3.84 0.00 -1.28 -1.05 103.07 97.50 2jmh h GLY 68 Ca 0.03 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.51 2jmh h GLY 68 CO -0.07 -0.12 0.59 0.00 0.00 0.00 0.00 176.54 176.94 2jmh h ALA 69 N 0.33 1.17 0.24 3.60 0.00 -1.12 -1.45 119.26 122.03 2jmh h ALA 69 Ca -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jmh h ALA 69 Cb 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jmh h ALA 69 CO 0.05 0.49 -0.11 1.96 0.00 0.00 0.00 179.25 181.64 2jmh h GLN 70 N 1.18 -0.31 0.01 0.00 4.20 -0.37 0.24 115.11 120.07 2jmh h GLN 70 Ca 0.35 0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.09 2jmh h GLN 70 Cb -0.07 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2jmh h GLN 70 CO -0.10 -0.15 -0.11 0.78 -0.67 0.00 0.00 178.83 178.58 2jmh h GLY 71 N -0.39 -0.15 0.88 3.46 0.00 -0.96 0.24 103.07 106.16 2jmh h GLY 71 Ca -0.03 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2jmh h GLY 71 CO 0.05 -0.12 -0.32 0.00 0.00 0.00 0.00 176.54 176.16 2jmh h ALA 72 N 0.76 -0.89 -1.00 3.60 0.00 -1.24 -1.18 119.26 119.31 2jmh h ALA 72 Ca 0.04 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.89 2jmh h ALA 72 Cb 0.24 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 2jmh h ALA 72 CO -0.10 -0.94 0.62 1.25 0.00 0.00 0.00 179.25 180.08 2jmh h LEU 73 N -1.02 0.85 0.01 0.00 5.85 -0.49 0.23 115.31 120.75 2jmh h LEU 73 Ca -0.09 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2jmh h LEU 73 Cb 0.71 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2jmh h LEU 73 CO 0.15 0.38 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.29 2jmh h GLU 74 N 0.88 -0.02 0.00 1.25 4.39 -0.37 0.20 114.58 120.91 2jmh h GLU 74 Ca 0.54 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.22 2jmh h GLU 74 Cb 0.70 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2jmh h GLU 74 CO -0.33 0.15 -0.11 -0.09 -1.16 0.00 0.00 179.01 177.47 2jmh h ARG 75 N -0.18 0.00 0.05 2.33 9.65 -0.27 0.16 114.38 126.13 2jmh h ARG 75 Ca -0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2jmh h ARG 75 Cb 0.17 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 2jmh h ARG 75 CO 0.00 0.11 -0.02 0.93 2.80 0.00 0.00 179.97 183.79 2jmh h GLU 76 N 0.00 -0.07 0.00 0.20 4.39 -0.62 -3.30 114.58 115.19 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 0.20 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2jmh h GLU 76 CO 0.01 0.45 -0.07 1.37 -1.16 0.00 0.00 179.01 179.62 2jmh h LEU 77 N -0.96 0.00 -0.90 1.33 8.10 -0.50 -1.60 115.31 120.78 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 0.07 0.00 0.29 -4.11 0.00 0.00 178.44 174.70 2jmh n LYS 78 N -3.42 0.16 0.15 0.17 4.76 0.55 -1.98 118.16 118.56 2jmh n LYS 78 Ca -0.02 0.50 0.12 0.00 -2.87 0.00 0.00 58.31 56.04 2jmh n LYS 78 Cb 0.21 -1.87 0.56 0.00 -1.84 0.00 0.00 35.03 32.09 2jmh n LYS 78 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2jmh n ARG 79 N -2.17 0.18 -0.70 1.97 1.85 -0.60 -4.78 116.66 112.40 2jmh n ARG 79 Ca 0.01 0.53 -0.33 0.00 -1.00 0.00 0.00 57.85 57.06 2jmh n ARG 79 Cb 0.14 -1.94 0.16 0.00 -1.05 0.00 0.00 32.46 29.78 2jmh n ARG 79 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2jmh n THR 80 N -2.29 0.00 0.00 8.89 -2.24 -0.84 -5.02 114.28 112.79 2jmh n THR 80 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2jmh n THR 80 Cb 0.14 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 -1.25 0.00 -3.64 3.42 8.00 -1.26 -5.12 116.55 116.70 2jmh n ASP 81 Ca 0.01 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 2jmh n ASP 81 Cb 0.63 -0.15 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 2jmh n ASP 81 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jmh s LEU 82 N -3.80 -0.41 -0.29 0.64 1.98 -1.26 -5.13 118.68 110.41 2jmh s LEU 82 Ca 0.00 0.79 -0.26 0.00 -2.89 0.00 0.00 54.13 51.77 2jmh s LEU 82 Cb 0.00 1.80 0.18 0.00 0.66 0.00 0.00 46.19 48.83 2jmh s LEU 82 CO 0.00 -0.14 1.35 0.21 -1.89 0.00 0.00 176.35 175.89 2jmh s ASN 83 N 0.23 -0.11 0.09 3.68 3.04 -1.26 -5.00 114.94 115.61 2jmh s ASN 83 Ca 0.03 0.19 -0.23 0.00 0.04 0.00 0.00 52.86 52.90 2jmh s ASN 83 Cb -0.05 0.19 -0.14 0.00 -1.54 0.00 0.00 41.25 39.71 2jmh s ASN 83 CO -0.07 -0.05 1.73 0.40 -3.04 0.00 0.00 177.10 176.06 2jmh h ILE 84 N 2.89 0.95 -0.03 -5.21 5.03 -2.02 0.26 117.51 119.38 2jmh h ILE 84 Ca -0.23 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.51 2jmh h ILE 84 Cb 1.19 0.95 -0.00 0.00 -3.03 0.00 0.00 36.82 35.93 2jmh h ILE 84 CO 0.19 0.00 0.00 0.25 -0.68 0.00 0.00 178.15 177.91 2jmh h LEU 85 N -0.04 0.05 -0.85 1.44 7.12 -1.99 -1.34 115.31 119.71 2jmh h LEU 85 Ca 0.01 -0.29 0.05 0.00 0.13 0.00 0.00 57.88 57.78 2jmh h LEU 85 Cb 0.04 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.10 2jmh h LEU 85 CO -0.01 0.33 0.53 -0.33 -0.13 0.00 0.00 178.44 178.83 2jmh h GLU 86 N -0.22 0.96 -0.21 1.25 5.08 -1.93 -1.26 114.58 118.26 2jmh h GLU 86 Ca 0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2jmh h GLU 86 Cb 0.30 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jmh h GLU 86 CO 0.00 0.64 0.05 -0.09 -1.00 0.00 0.00 179.01 178.61 2jmh h ARG 87 N 0.99 0.33 0.33 2.33 2.43 -0.39 0.42 114.38 120.83 2jmh h ARG 87 Ca 0.36 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2jmh h ARG 87 Cb 0.12 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2jmh h ARG 87 CO -0.16 0.46 -0.31 0.35 -1.51 0.00 0.00 179.97 178.80 2jmh h PHE 88 N 0.15 -0.83 -0.46 2.20 3.57 -0.79 0.25 116.94 121.03 2jmh h PHE 88 Ca 0.06 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.57 2jmh h PHE 88 Cb 0.28 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2jmh h PHE 88 CO 0.01 -0.45 0.30 -0.91 -2.23 0.00 0.00 178.31 175.04 2jmh h ASN 89 N -0.66 0.52 -0.37 0.41 4.21 -1.25 -1.55 115.58 116.89 2jmh h ASN 89 Ca -0.02 -0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.50 2jmh h ASN 89 Cb 0.60 -0.13 -0.03 0.00 -1.12 0.00 0.00 38.32 37.64 2jmh h ASN 89 CO -0.05 0.38 0.21 1.88 -1.29 0.00 0.00 177.43 178.56 2jmh h TYR 90 N 0.62 0.39 0.36 1.19 -1.99 -0.66 0.24 116.97 117.12 2jmh h TYR 90 Ca 0.17 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.90 2jmh h TYR 90 Cb -0.07 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 2jmh h TYR 90 CO -0.05 0.22 -0.24 0.93 -0.00 0.00 0.00 178.16 179.03 2jmh h GLU 91 N 0.42 -0.56 -0.17 4.88 5.08 -0.21 -1.09 114.58 122.92 2jmh h GLU 91 Ca 0.15 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2jmh h GLU 91 Cb 0.02 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2jmh h GLU 91 CO -0.08 -0.38 0.09 1.49 -1.00 0.00 0.00 179.01 179.14 2jmh h GLU 92 N -0.59 0.19 -0.44 2.33 4.57 -1.14 -0.40 114.58 119.11 2jmh h GLU 92 Ca -0.04 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.22 2jmh h GLU 92 Cb 0.49 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.96 2jmh h GLU 92 CO 0.03 0.12 -0.08 0.00 -1.18 0.00 0.00 179.01 177.90 2jmh h ALA 93 N 1.08 0.32 -0.32 2.92 0.00 -0.39 -0.30 119.26 122.58 2jmh h ALA 93 Ca 0.07 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2jmh h ALA 93 Cb 0.01 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jmh h ALA 93 CO -0.04 -0.44 -0.13 0.37 0.00 0.00 0.00 179.25 179.01 2jmh h GLN 94 N 0.02 0.55 0.24 0.00 4.15 -0.94 -1.47 115.11 117.66 2jmh h GLN 94 Ca 0.21 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 2jmh h GLN 94 Cb 0.32 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2jmh h GLN 94 CO -0.43 0.67 -0.12 1.15 -1.93 0.00 0.00 178.83 178.17 2jmh h THR 95 N 0.50 0.76 -0.53 2.39 2.02 0.57 0.26 112.91 118.88 2jmh h THR 95 Ca 0.09 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 2jmh h THR 95 Cb 0.52 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2jmh h THR 95 CO 0.03 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.86 2jmh h LEU 96 N -0.32 0.91 -0.73 2.58 3.38 -1.13 -1.69 115.31 118.31 2jmh h LEU 96 Ca -0.03 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2jmh h LEU 96 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2jmh h LEU 96 CO 0.05 0.99 0.32 0.77 0.09 0.00 0.00 178.44 180.66 2jmh h SER 97 N 0.80 0.97 -0.28 -0.43 4.64 -1.11 -1.16 113.55 116.98 2jmh h SER 97 Ca 0.15 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2jmh h SER 97 Cb 0.52 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2jmh h SER 97 CO 0.03 0.85 0.01 0.11 -0.87 0.00 0.00 176.83 176.96 2jmh h LYS 98 N 1.03 0.48 0.75 4.77 1.57 -0.34 -0.18 116.57 124.66 2jmh h LYS 98 Ca 0.25 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2jmh h LYS 98 Cb 0.16 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.43 2jmh h LYS 98 CO -0.03 0.63 -0.36 0.82 -0.57 0.00 0.00 179.45 179.94 2jmh h ILE 99 N 0.27 0.26 -0.45 1.86 2.04 -1.12 -0.91 117.51 119.47 2jmh h ILE 99 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 2jmh h ILE 99 Cb 0.40 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2jmh h ILE 99 CO 0.01 0.00 0.30 0.17 0.00 0.00 0.00 178.15 178.63 2jmh h LEU 100 N -1.01 0.43 -0.23 1.44 8.10 -1.26 -1.81 115.31 120.98 2jmh h LEU 100 Ca -0.10 -0.01 -0.02 0.00 0.11 0.00 0.00 57.88 57.86 2jmh h LEU 100 Cb 0.78 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 40.88 2jmh h LEU 100 CO 0.17 0.30 0.07 -0.07 -4.11 0.00 0.00 178.44 174.80 2jmh h LEU 101 N 0.51 0.34 -0.26 0.17 3.38 -0.71 0.55 115.31 119.28 2jmh h LEU 101 Ca 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2jmh h LEU 101 Cb 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jmh h LEU 101 CO -0.04 0.45 0.12 0.11 0.09 0.00 0.00 178.44 179.17 2jmh h LYS 102 N 0.21 0.38 -0.20 1.13 1.57 -0.59 -1.62 116.57 117.45 2jmh h LYS 102 Ca 0.08 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2jmh h LYS 102 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2jmh h LYS 102 CO -0.00 0.38 -0.11 0.22 -0.57 0.00 0.00 179.45 179.36 2jmh h ASP 103 N 0.29 0.31 0.47 0.86 1.82 -1.28 -1.61 116.42 117.28 2jmh h ASP 103 Ca 0.09 -0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 2jmh h ASP 103 Cb 0.13 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.06 2jmh h ASP 103 CO -0.01 0.45 -0.23 -0.07 -1.61 0.00 0.00 179.24 177.78 2jmh h LEU 104 N 0.31 -0.54 -0.80 2.28 3.38 -0.49 -1.33 115.31 118.11 2jmh h LEU 104 Ca 0.06 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2jmh h LEU 104 Cb 0.39 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2jmh h LEU 104 CO 0.02 -0.18 0.49 0.07 0.09 0.00 0.00 178.44 178.93 2jmh h LYS 105 N -0.94 0.89 0.12 1.13 2.10 -1.25 -1.42 116.57 117.21 2jmh h LYS 105 Ca -0.06 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.53 2jmh h LYS 105 Cb 0.59 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2jmh h LYS 105 CO 0.11 0.59 -0.07 1.49 -2.00 0.00 0.00 179.45 179.56 2jmh h GLU 106 N 0.92 -0.18 -0.53 0.07 4.57 -1.29 -0.71 114.58 117.43 2jmh h GLU 106 Ca 0.34 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.59 2jmh h GLU 106 Cb 0.13 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 2jmh h GLU 106 CO -0.16 -0.12 0.26 1.15 -1.18 0.00 0.00 179.01 178.96 2jmh h THR 107 N -0.19 0.93 -0.72 0.32 2.02 -0.86 -0.86 112.91 113.56 2jmh h THR 107 Ca -0.01 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2jmh h THR 107 Cb 0.16 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2jmh h THR 107 CO 0.01 0.09 0.38 -0.08 0.37 0.00 0.00 175.52 176.29 2jmh h GLU 108 N 0.50 1.00 -0.34 6.66 4.81 -1.04 -1.12 114.58 125.04 2jmh h GLU 108 Ca 0.24 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 2jmh h GLU 108 Cb 0.17 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2jmh h GLU 108 CO -0.18 0.74 -0.21 0.37 -0.73 0.00 0.00 179.01 179.00 2jmh h GLN 109 N 1.00 0.65 -0.03 1.92 4.15 -0.24 -0.91 115.11 121.66 2jmh h GLN 109 Ca 0.25 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2jmh h GLN 109 Cb 0.05 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 2jmh h GLN 109 CO -0.04 0.82 -0.02 0.87 -1.93 0.00 0.00 178.83 178.52 2jmh h LYS 110 N 0.58 0.06 -0.76 1.69 6.56 -0.60 0.16 116.57 124.26 2jmh h LYS 110 Ca 0.09 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.61 2jmh h LYS 110 Cb 0.68 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.30 2jmh h LYS 110 CO 0.05 0.52 0.34 -0.24 -2.06 0.00 0.00 179.45 178.06 2jmh h VAL 111 N -0.40 1.24 0.00 0.50 3.04 -1.20 -1.15 116.25 118.29 2jmh h VAL 111 Ca 0.00 -0.72 -0.10 0.00 -1.01 0.00 0.00 66.70 64.87 2jmh h VAL 111 Cb 0.51 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 2jmh h VAL 111 CO 0.01 0.30 -0.50 0.07 -1.01 0.00 0.00 177.57 176.44 2jmh h LYS 112 N 1.08 0.00 -0.12 4.17 2.10 -1.17 -3.26 116.57 119.37 2jmh h LYS 112 Ca 0.26 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.77 2jmh h LYS 112 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 2jmh h LYS 112 CO -0.03 0.50 -0.45 -0.44 -2.00 0.00 0.00 179.45 177.02 2jmh h ASP 113 N 0.00 0.61 -2.68 7.07 5.19 -0.07 -3.45 116.42 123.09 2jmh h ASP 113 Ca -0.00 -0.62 -0.56 0.00 -0.62 0.00 0.00 57.03 55.23 2jmh h ASP 113 Cb 1.24 -0.18 0.07 0.00 0.18 0.00 0.00 39.33 40.64 2jmh h ASP 113 CO 0.06 1.12 0.79 -0.38 -3.12 0.00 0.00 179.24 177.72 2jmh n ILE 114 N -4.26 0.53 -3.02 0.35 -0.00 -0.49 -4.96 119.36 107.51 2jmh n ILE 114 Ca -0.07 -0.13 -0.39 0.00 -0.00 0.00 0.00 62.75 62.15 2jmh n ILE 114 Cb 0.57 -1.68 -0.06 0.00 -0.00 0.00 0.00 39.64 38.47 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 0.21 4.51 0.10 0.38 -2.07 -1.26 -4.99 119.66 116.54 2jmh s GLN 115 Ca 0.72 1.09 -0.09 0.00 -1.82 0.00 0.00 55.36 55.26 2jmh s GLN 115 Cb -0.60 -3.27 -0.00 0.00 -1.09 0.00 0.00 33.01 28.05 2jmh s GLN 115 CO 0.43 0.55 0.20 0.95 -1.32 0.00 0.00 175.29 176.11 2jmh s THR 116 N -1.04 0.13 0.00 3.63 -4.23 -1.26 -4.93 115.64 107.94 2jmh s THR 116 Ca 0.35 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 2jmh s THR 116 Cb -0.22 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.23 2jmh s THR 116 CO 0.25 -0.61 0.00 0.00 -0.54 0.00 0.00 174.62 173.72