#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5b s LEU 2 N 0.00 4.00 0.74 0.99 1.02 -1.26 -5.10 118.68 119.08 2o5b s LEU 2 Ca 0.00 0.11 -0.08 0.00 0.02 0.00 0.00 54.13 54.18 2o5b s LEU 2 Cb 0.00 -2.98 0.07 0.00 0.02 0.00 0.00 46.19 43.30 2o5b s LEU 2 CO 0.00 -0.37 1.07 -0.94 0.02 0.00 0.00 176.35 176.13 2o5b s SER 3 N -4.10 4.66 0.19 2.29 1.04 -1.26 -4.85 113.70 111.66 2o5b s SER 3 Ca 0.42 0.52 -0.13 0.00 0.48 0.00 0.00 55.95 57.23 2o5b s SER 3 Cb -0.09 -1.10 0.19 0.00 0.10 0.00 0.00 66.02 65.11 2o5b s SER 3 CO 0.33 -1.73 1.69 0.44 0.98 0.00 0.00 173.24 174.96 2o5b h ASP 4 N -0.76 -0.14 -0.31 7.02 3.32 -1.99 0.32 116.42 123.88 2o5b h ASP 4 Ca -0.45 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 2o5b h ASP 4 Cb 1.32 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 41.03 2o5b h ASP 4 CO 0.61 -0.04 0.07 1.23 -1.72 0.00 0.00 179.24 179.39 2o5b h GLY 5 N 0.15 0.64 0.76 2.75 0.00 -1.99 -1.91 103.07 103.46 2o5b h GLY 5 Ca 0.25 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 2o5b h GLY 5 CO -0.38 0.33 -0.04 0.83 0.00 0.00 0.00 176.54 177.28 2o5b h GLU 6 N 0.58 0.28 -0.99 4.80 5.08 -1.72 -1.92 114.58 120.68 2o5b h GLU 6 Ca 0.13 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2o5b h GLU 6 Cb 0.26 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 2o5b h GLU 6 CO 0.00 0.57 0.64 -1.49 -1.00 0.00 0.00 179.01 177.73 2o5b h TRP 7 N -0.02 1.18 -0.68 4.33 -0.00 -0.93 -1.01 115.95 118.82 2o5b h TRP 7 Ca 0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.94 2o5b h TRP 7 Cb 0.47 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.16 29.21 2o5b h TRP 7 CO 0.05 0.60 0.37 0.37 -0.00 0.00 0.00 178.44 179.83 2o5b h GLN 8 N 1.14 0.95 -0.33 0.49 4.15 -1.12 -0.87 115.11 119.52 2o5b h GLN 8 Ca 0.44 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.73 2o5b h GLN 8 Cb 0.21 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 2o5b h GLN 8 CO -0.18 0.71 0.16 1.96 -1.93 0.00 0.00 178.83 179.55 2o5b h GLN 9 N 0.93 0.48 -0.31 1.69 4.20 -1.08 -0.61 115.11 120.41 2o5b h GLN 9 Ca 0.24 -0.07 0.07 0.00 0.06 0.00 0.00 58.65 58.95 2o5b h GLN 9 Cb 0.04 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.67 2o5b h GLN 9 CO -0.04 0.44 -0.14 0.28 -0.67 0.00 0.00 178.83 178.70 2o5b h VAL 10 N 0.40 0.57 0.00 -0.54 2.07 -0.77 -2.51 116.25 115.46 2o5b h VAL 10 Ca 0.11 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.50 2o5b h VAL 10 Cb 0.12 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2o5b h VAL 10 CO -0.01 0.00 -0.64 -0.07 0.02 0.00 0.00 177.57 176.87 2o5b h LEU 11 N -0.08 0.00 -0.32 2.57 3.38 -1.01 -0.46 115.31 119.39 2o5b h LEU 11 Ca 0.16 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2o5b h LEU 11 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2o5b h LEU 11 CO -0.37 0.64 -0.00 -1.13 0.09 0.00 0.00 178.44 177.67 2o5b h ASN 12 N 0.00 0.55 -0.69 -0.43 -0.73 -1.04 -0.04 115.58 113.21 2o5b h ASN 12 Ca -0.01 -0.31 -0.05 0.00 1.87 0.00 0.00 56.30 57.80 2o5b h ASN 12 Cb 1.16 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 39.57 2o5b h ASN 12 CO 0.08 0.73 0.23 0.58 -0.37 0.00 0.00 177.43 178.69 2o5b h VAL 13 N 0.36 1.25 0.00 2.57 2.07 -1.33 -2.63 116.25 118.55 2o5b h VAL 13 Ca 0.09 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 2o5b h VAL 13 Cb 0.45 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2o5b h VAL 13 CO 0.02 0.33 -0.16 -0.25 0.02 0.00 0.00 177.57 177.53 2o5b h TRP 14 N 1.01 0.00 -0.99 1.57 2.91 -0.75 -1.22 115.95 118.48 2o5b h TRP 14 Ca 0.23 0.00 0.32 0.00 1.13 0.00 0.00 58.89 60.57 2o5b h TRP 14 Cb 0.28 0.00 -0.15 0.00 -0.51 0.00 0.00 29.16 28.78 2o5b h TRP 14 CO 0.02 0.16 0.53 0.78 -1.03 0.00 0.00 178.44 178.90 2o5b h GLY 15 N 1.11 2.01 1.70 2.65 0.00 -0.62 -1.96 103.07 107.96 2o5b h GLY 15 Ca -0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 47.33 46.88 2o5b h GLY 15 CO 0.02 -0.50 -1.21 0.50 0.00 0.00 0.00 176.54 175.35 2o5b h LYS 16 N 0.29 0.01 -0.66 4.80 1.57 -1.26 -3.19 116.57 118.13 2o5b h LYS 16 Ca 0.72 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 2o5b h LYS 16 Cb 1.65 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.94 2o5b h LYS 16 CO -0.63 0.86 0.42 0.28 -0.57 0.00 0.00 179.45 179.82 2o5b h VAL 17 N 0.00 1.18 0.00 0.50 2.07 -1.45 -3.19 116.25 115.35 2o5b h VAL 17 Ca -0.09 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2o5b h VAL 17 Cb 1.84 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2o5b h VAL 17 CO 0.12 0.17 0.00 -0.62 0.02 0.00 0.00 177.57 177.26 2o5b n GLU 18 N -4.42 0.01 0.05 1.57 1.02 -0.75 -1.83 120.64 116.29 2o5b n GLU 18 Ca 0.07 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.18 2o5b n GLU 18 Cb 0.05 -1.51 0.04 0.00 -0.02 0.00 0.00 31.44 29.99 2o5b n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2o5b h ALA 19 N 2.87 0.62 -1.93 0.62 0.00 -1.62 -3.38 119.26 116.45 2o5b h ALA 19 Ca 0.00 -0.60 -0.52 0.00 0.00 0.00 0.00 54.91 53.80 2o5b h ALA 19 Cb 0.45 -0.06 -0.35 0.00 0.00 0.00 0.00 17.79 17.83 2o5b h ALA 19 CO 0.00 0.76 -0.96 -3.47 0.00 0.00 0.00 179.25 175.58 2o5b n ASP 20 N -3.85 -0.63 -0.04 0.00 2.03 -1.12 -5.01 116.55 107.93 2o5b n ASP 20 Ca -0.04 -2.62 -0.12 0.00 0.52 0.00 0.00 54.79 52.53 2o5b n ASP 20 Cb 0.69 -0.23 -0.06 0.00 -0.72 0.00 0.00 41.12 40.80 2o5b n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2o5b h ILE 21 N 3.44 1.26 -0.43 5.18 6.09 -1.55 -1.45 117.51 130.06 2o5b h ILE 21 Ca 0.14 -0.85 0.02 0.00 -1.37 0.00 0.00 64.86 62.80 2o5b h ILE 21 Cb 0.92 1.57 -0.03 0.00 0.47 0.00 0.00 36.82 39.75 2o5b h ILE 21 CO 0.38 0.25 0.26 0.00 -3.07 0.00 0.00 178.15 175.96 2o5b h ALA 22 N 0.74 0.55 -0.04 0.18 0.00 -1.90 0.14 119.26 118.93 2o5b h ALA 22 Ca 0.04 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 2o5b h ALA 22 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2o5b h ALA 22 CO 0.01 -0.06 -0.87 0.78 0.00 0.00 0.00 179.25 179.10 2o5b h GLY 23 N 0.52 0.53 0.96 0.00 0.00 -1.92 -1.52 103.07 101.63 2o5b h GLY 23 Ca 0.17 -0.86 0.01 0.00 0.00 0.00 0.00 47.33 46.65 2o5b h GLY 23 CO -0.08 0.76 0.04 0.45 0.00 0.00 0.00 176.54 177.71 2o5b h HIS 24 N 0.29 0.07 -0.52 5.60 -0.00 -1.23 -2.35 115.15 117.02 2o5b h HIS 24 Ca -0.07 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.32 2o5b h HIS 24 Cb 1.49 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.85 2o5b h HIS 24 CO 0.06 0.04 0.33 0.78 -0.00 0.00 0.00 177.93 179.15 2o5b h GLY 25 N 0.09 0.73 0.94 2.45 0.00 -0.62 -0.24 103.07 106.42 2o5b h GLY 25 Ca 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2o5b h GLY 25 CO -0.03 0.24 0.10 -1.61 0.00 0.00 0.00 176.54 175.24 2o5b h GLN 26 N 0.68 0.24 -0.50 4.80 4.15 -1.36 -1.47 115.11 121.65 2o5b h GLN 26 Ca 0.20 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.60 2o5b h GLN 26 Cb -0.05 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 2o5b h GLN 26 CO -0.06 0.24 0.33 0.93 -1.93 0.00 0.00 178.83 178.33 2o5b h GLU 27 N 0.18 0.64 -0.55 1.69 5.08 -1.20 -1.13 114.58 119.30 2o5b h GLU 27 Ca 0.06 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2o5b h GLU 27 Cb 0.07 -0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.07 2o5b h GLU 27 CO -0.01 0.43 -0.50 0.28 -1.00 0.00 0.00 179.01 178.21 2o5b h VAL 28 N 0.66 0.05 -0.43 3.13 2.07 -1.02 -0.62 116.25 120.09 2o5b h VAL 28 Ca 0.19 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.64 2o5b h VAL 28 Cb -0.05 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 2o5b h VAL 28 CO -0.05 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.46 2o5b h LEU 29 N -0.28 0.68 -0.37 2.57 3.38 -0.87 -1.28 115.31 119.14 2o5b h LEU 29 Ca 0.14 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2o5b h LEU 29 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2o5b h LEU 29 CO -0.67 0.75 -0.12 0.40 0.09 0.00 0.00 178.44 178.89 2o5b h ILE 30 N 0.66 1.28 -0.33 1.22 2.04 -1.04 -0.33 117.51 121.02 2o5b h ILE 30 Ca 0.13 -1.21 0.05 0.00 1.00 0.00 0.00 64.86 64.83 2o5b h ILE 30 Cb 0.43 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 2o5b h ILE 30 CO 0.02 0.40 0.05 -0.09 0.00 0.00 0.00 178.15 178.53 2o5b h ARG 31 N 0.54 0.16 0.34 2.37 9.65 -0.81 -1.99 114.38 124.64 2o5b h ARG 31 Ca 0.09 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2o5b h ARG 31 Cb 0.65 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 2o5b h ARG 31 CO 0.04 0.10 -0.28 1.25 2.80 0.00 0.00 179.97 183.89 2o5b h LEU 32 N 0.16 -0.74 -1.24 3.80 5.85 -0.90 -1.93 115.31 120.32 2o5b h LEU 32 Ca 0.16 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 2o5b h LEU 32 Cb 0.19 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2o5b h LEU 32 CO -0.22 -0.42 -0.11 -0.26 -0.34 0.00 0.00 178.44 177.09 2o5b h PHE 33 N -0.63 0.41 0.12 1.25 0.04 -0.97 -1.11 116.94 116.05 2o5b h PHE 33 Ca -0.02 -0.05 -0.29 0.00 2.80 0.00 0.00 57.97 60.40 2o5b h PHE 33 Cb 0.55 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 2o5b h PHE 33 CO -0.15 0.50 -1.43 1.79 -0.60 0.00 0.00 178.31 178.42 2o5b h THR 34 N 0.36 1.27 0.00 -1.55 1.35 -1.36 -2.89 112.91 110.09 2o5b h THR 34 Ca 0.07 -2.89 -0.11 0.00 -0.55 0.00 0.00 66.41 62.93 2o5b h THR 34 Cb 0.43 2.81 -0.02 0.00 -1.73 0.00 0.00 68.15 69.65 2o5b h THR 34 CO 0.02 0.84 -0.52 1.23 -0.25 0.00 0.00 175.52 176.84 2o5b h GLY 35 N 1.71 0.00 -5.97 5.82 0.00 -1.34 -3.40 103.07 99.89 2o5b h GLY 35 Ca -0.20 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.61 2o5b h GLY 35 CO 0.17 0.00 -0.97 1.42 0.00 0.00 0.00 176.54 177.17 2o5b n HIS 36 N -3.44 -1.07 0.28 5.60 8.25 -0.42 -5.01 115.22 119.40 2o5b n HIS 36 Ca 0.00 -3.16 0.15 0.00 -0.26 0.00 0.00 57.72 54.45 2o5b n HIS 36 Cb 0.65 0.16 0.70 0.00 1.12 0.00 0.00 29.99 32.62 2o5b n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2o5b h PRO 37 N 4.62 0.00 0.00 -0.41 0.11 -1.73 -1.47 132.00 133.11 2o5b h PRO 37 Ca 0.12 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 2o5b h PRO 37 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2o5b h PRO 37 CO 0.39 0.00 -0.08 1.05 -0.21 0.00 0.00 178.00 179.15 2o5b h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.94 -2.92 114.58 119.86 2o5b h GLU 38 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 2o5b h GLU 38 Cb 0.17 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.26 2o5b h GLU 38 CO 0.00 0.08 -0.30 1.79 0.05 0.00 0.00 179.01 180.63 2o5b h THR 39 N 0.00 0.81 -0.19 -1.06 1.35 -1.61 -2.57 112.91 109.64 2o5b h THR 39 Ca -0.00 -1.26 -0.07 0.00 -0.55 0.00 0.00 66.41 64.53 2o5b h THR 39 Cb 0.22 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 2o5b h THR 39 CO 0.01 0.30 -0.19 0.25 -0.25 0.00 0.00 175.52 175.64 2o5b h LEU 40 N 0.00 0.31 -1.71 3.87 5.85 -1.67 -3.04 115.31 118.92 2o5b h LEU 40 Ca -0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2o5b h LEU 40 Cb 0.75 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2o5b h LEU 40 CO 0.04 0.52 0.00 -0.33 -0.34 0.00 0.00 178.44 178.33 2o5b h GLU 41 N 0.29 0.00 0.00 1.25 4.39 -1.58 -2.34 114.58 116.60 2o5b h GLU 41 Ca 0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2o5b h GLU 41 Cb 0.51 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2o5b h GLU 41 CO 0.03 0.00 -0.04 0.87 -1.16 0.00 0.00 179.01 178.71 2o5b h LYS 42 N 0.00 0.00 -4.34 2.33 1.79 -1.68 -3.39 116.57 111.28 2o5b h LYS 42 Ca 0.00 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.75 2o5b h LYS 42 Cb 0.28 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.65 2o5b h LYS 42 CO 0.00 0.04 -0.41 -0.06 -1.08 0.00 0.00 179.45 177.94 2o5b s PHE 43 N -3.85 3.38 0.31 -1.35 0.40 -0.88 -4.97 117.98 111.02 2o5b s PHE 43 Ca -0.01 -1.67 0.07 0.00 -0.60 0.00 0.00 56.93 54.72 2o5b s PHE 43 Cb 0.11 -3.30 0.88 0.00 0.51 0.00 0.00 43.02 41.21 2o5b s PHE 43 CO 0.53 -0.93 1.62 -0.44 0.70 0.00 0.00 175.22 176.70 2o5b h ASP 44 N 8.47 0.03 1.23 1.36 3.32 -1.83 -2.43 116.42 126.57 2o5b h ASP 44 Ca -0.23 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2o5b h ASP 44 Cb 1.08 0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2o5b h ASP 44 CO 0.83 -0.24 -0.04 2.29 -1.72 0.00 0.00 179.24 180.37 2o5b n LYS 45 N -5.26 0.15 0.00 3.56 2.85 -1.26 -3.70 118.16 114.50 2o5b n LYS 45 Ca 0.26 0.12 0.09 0.00 -1.05 0.00 0.00 58.31 57.72 2o5b n LYS 45 Cb 0.84 -1.67 -0.02 0.00 -0.65 0.00 0.00 35.03 33.54 2o5b n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2o5b n PHE 46 N -1.92 0.00 1.66 5.58 3.72 -0.93 -4.49 117.46 121.08 2o5b n PHE 46 Ca 0.06 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.61 2o5b n PHE 46 Cb 0.39 0.00 0.82 0.00 -0.94 0.00 0.00 39.48 39.75 2o5b n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2o5b n LYS 47 N -0.27 0.71 0.02 -1.08 2.85 -1.14 -0.80 118.16 118.44 2o5b n LYS 47 Ca 0.07 -0.04 0.07 0.00 -1.05 0.00 0.00 58.31 57.36 2o5b n LYS 47 Cb 0.37 -1.50 0.32 0.00 -0.65 0.00 0.00 35.03 33.57 2o5b n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2o5b n HIS 48 N -1.11 0.14 -2.68 5.58 1.44 -1.26 -4.68 115.22 112.64 2o5b n HIS 48 Ca 0.18 0.06 -0.42 0.00 -2.01 0.00 0.00 57.72 55.53 2o5b n HIS 48 Cb 0.19 -0.59 -0.03 0.00 0.12 0.00 0.00 29.99 29.68 2o5b n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2o5b s LEU 49 N -3.25 3.98 0.10 2.39 1.43 0.02 -4.81 118.68 118.53 2o5b s LEU 49 Ca 0.06 -1.52 0.04 0.00 -1.03 0.00 0.00 54.13 51.68 2o5b s LEU 49 Cb 0.09 -2.51 -0.23 0.00 0.03 0.00 0.00 46.19 43.56 2o5b s LEU 49 CO 0.26 -1.40 1.21 0.11 0.23 0.00 0.00 176.35 176.76 2o5b h LYS 50 N 9.52 0.09 -5.99 1.70 1.79 -1.86 -3.48 116.57 118.34 2o5b h LYS 50 Ca 0.12 -0.15 -0.57 0.00 -2.18 0.00 0.00 60.65 57.87 2o5b h LYS 50 Cb 1.02 0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 31.63 2o5b h LYS 50 CO 1.31 1.05 -0.56 0.95 -1.08 0.00 0.00 179.45 181.12 2o5b s THR 51 N -2.69 2.61 0.25 -0.16 -4.23 -1.26 -5.03 115.64 105.13 2o5b s THR 51 Ca -0.01 -1.82 -0.06 0.00 -1.18 0.00 0.00 61.69 58.62 2o5b s THR 51 Cb 0.09 -2.91 0.25 0.00 1.34 0.00 0.00 72.50 71.27 2o5b s THR 51 CO 0.84 -0.13 1.92 -0.08 -0.54 0.00 0.00 174.62 176.64 2o5b h GLU 52 N 1.62 1.30 -0.48 3.99 4.81 -1.99 -1.48 114.58 122.36 2o5b h GLU 52 Ca -0.43 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 2o5b h GLU 52 Cb 1.25 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 2o5b h GLU 52 CO 0.67 0.86 -0.03 0.00 -0.73 0.00 0.00 179.01 179.78 2o5b h ALA 53 N 1.37 0.65 -0.60 2.92 0.00 -1.97 0.36 119.26 121.99 2o5b h ALA 53 Ca 0.37 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2o5b h ALA 53 Cb -0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 2o5b h ALA 53 CO -0.08 0.49 0.34 0.93 0.00 0.00 0.00 179.25 180.93 2o5b h GLU 54 N 0.73 0.64 -0.95 0.00 5.08 -1.95 -2.42 114.58 115.71 2o5b h GLU 54 Ca 0.13 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2o5b h GLU 54 Cb 0.56 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2o5b h GLU 54 CO 0.03 0.43 0.60 0.52 -1.00 0.00 0.00 179.01 179.59 2o5b h MET 55 N 0.66 1.27 0.00 2.33 2.86 -0.24 -2.87 114.93 118.94 2o5b h MET 55 Ca 0.26 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2o5b h MET 55 Cb 0.10 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 2o5b h MET 55 CO -0.14 0.86 -0.16 -0.22 1.06 0.00 0.00 176.91 178.32 2o5b h LYS 56 N 1.30 0.00 0.00 1.72 1.63 -0.17 -3.10 116.57 117.95 2o5b h LYS 56 Ca 0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 2o5b h LYS 56 Cb -0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 2o5b h LYS 56 CO -0.07 0.16 -1.46 0.00 -3.45 0.00 0.00 179.45 174.62 2o5b n ALA 57 N -2.17 3.64 -2.56 5.00 0.00 -0.92 -4.90 120.51 118.59 2o5b n ALA 57 Ca 0.01 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.49 2o5b n ALA 57 Cb 0.43 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 2o5b n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2o5b s SER 58 N -3.86 6.96 0.18 0.00 0.15 -1.10 -4.93 113.70 111.09 2o5b s SER 58 Ca -0.00 1.35 0.13 0.00 0.70 0.00 0.00 55.95 58.13 2o5b s SER 58 Cb 0.15 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.86 2o5b s SER 58 CO 0.88 -0.80 1.24 -0.33 1.20 0.00 0.00 173.24 175.42 2o5b h GLU 59 N 8.05 0.00 -0.22 5.44 4.39 -1.90 -2.86 114.58 127.48 2o5b h GLU 59 Ca -0.22 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.38 2o5b h GLU 59 Cb 1.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 2o5b h GLU 59 CO 1.00 0.57 -0.30 0.22 -1.16 0.00 0.00 179.01 179.34 2o5b h ASP 60 N 0.00 0.45 -0.24 1.42 3.58 -1.97 0.61 116.42 120.27 2o5b h ASP 60 Ca -0.05 -0.16 -0.09 0.00 0.42 0.00 0.00 57.03 57.14 2o5b h ASP 60 Cb 1.55 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.47 2o5b h ASP 60 CO 0.08 0.73 -0.21 0.25 -2.88 0.00 0.00 179.24 177.21 2o5b h LEU 61 N 0.39 0.61 -0.91 2.28 6.46 -1.89 -2.44 115.31 119.80 2o5b h LEU 61 Ca 0.05 -0.46 0.05 0.00 -0.12 0.00 0.00 57.88 57.40 2o5b h LEU 61 Cb 0.72 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 2o5b h LEU 61 CO 0.06 0.94 0.58 0.50 -0.62 0.00 0.00 178.44 179.90 2o5b h LYS 62 N 0.28 1.06 -0.81 1.25 3.64 -1.46 -1.16 116.57 119.37 2o5b h LYS 62 Ca 0.04 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.46 2o5b h LYS 62 Cb 0.76 -0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 2o5b h LYS 62 CO 0.05 0.70 0.45 -0.22 -2.27 0.00 0.00 179.45 178.16 2o5b h LYS 63 N 1.09 0.72 -0.22 1.90 3.64 -0.70 -2.22 116.57 120.79 2o5b h LYS 63 Ca 0.38 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.54 2o5b h LYS 63 Cb 0.10 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2o5b h LYS 63 CO -0.15 0.48 -0.58 1.25 -2.27 0.00 0.00 179.45 178.18 2o5b h HIS 64 N 0.75 0.87 -0.86 1.91 2.76 -0.97 -2.39 115.15 117.22 2o5b h HIS 64 Ca 0.39 -0.32 0.21 0.00 -2.20 0.00 0.00 60.37 58.46 2o5b h HIS 64 Cb 0.39 -0.16 -0.13 0.00 1.55 0.00 0.00 27.41 29.06 2o5b h HIS 64 CO -0.07 1.10 0.30 0.78 -1.30 0.00 0.00 177.93 178.74 2o5b h GLY 65 N 0.90 1.37 0.97 5.26 0.00 -0.72 0.61 103.07 111.46 2o5b h GLY 65 Ca 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 47.33 47.05 2o5b h GLY 65 CO 0.12 -0.29 -0.71 -0.84 0.00 0.00 0.00 176.54 174.82 2o5b h THR 66 N 0.31 1.35 -0.59 4.70 2.02 -1.11 -1.45 112.91 118.14 2o5b h THR 66 Ca 0.53 -2.04 0.03 0.00 0.77 0.00 0.00 66.41 65.70 2o5b h THR 66 Cb 1.01 2.36 -0.04 0.00 -1.74 0.00 0.00 68.15 69.73 2o5b h THR 66 CO -0.57 0.62 0.35 0.58 0.37 0.00 0.00 175.52 176.87 2o5b h VAL 67 N 0.17 1.06 0.55 3.16 2.07 -0.96 0.36 116.25 122.65 2o5b h VAL 67 Ca -0.08 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2o5b h VAL 67 Cb 1.38 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2o5b h VAL 67 CO 0.14 0.13 -0.26 0.58 0.02 0.00 0.00 177.57 178.18 2o5b h VAL 68 N 0.70 0.40 -0.18 2.57 2.07 -0.71 -2.43 116.25 118.67 2o5b h VAL 68 Ca 0.24 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 2o5b h VAL 68 Cb 0.03 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2o5b h VAL 68 CO -0.11 0.04 -0.42 -0.07 0.02 0.00 0.00 177.57 177.03 2o5b h LEU 69 N -0.91 0.45 -0.72 2.57 3.38 -1.22 -1.44 115.31 117.42 2o5b h LEU 69 Ca -0.08 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.72 2o5b h LEU 69 Cb 0.62 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2o5b h LEU 69 CO 0.12 0.82 0.45 0.74 0.09 0.00 0.00 178.44 180.67 2o5b h THR 70 N 0.35 1.10 0.00 0.22 2.02 -0.30 0.70 112.91 117.00 2o5b h THR 70 Ca 0.03 -0.30 -0.18 0.00 0.77 0.00 0.00 66.41 66.73 2o5b h THR 70 Cb 0.89 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2o5b h THR 70 CO 0.08 0.16 -0.83 0.00 0.37 0.00 0.00 175.52 175.30 2o5b h ALA 71 N 1.31 0.62 -0.62 6.16 0.00 -1.04 -2.83 119.26 122.86 2o5b h ALA 71 Ca 0.29 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2o5b h ALA 71 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2o5b h ALA 71 CO -0.11 0.98 0.13 1.25 0.00 0.00 0.00 179.25 181.50 2o5b h LEU 72 N 0.03 0.96 -0.47 0.00 5.85 -1.06 -2.33 115.31 118.29 2o5b h LEU 72 Ca -0.02 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.55 2o5b h LEU 72 Cb 1.45 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 42.14 2o5b h LEU 72 CO 0.11 0.96 -0.08 1.23 -0.34 0.00 0.00 178.44 180.32 2o5b h GLY 73 N 0.92 0.38 0.86 3.75 0.00 -0.77 0.16 103.07 108.37 2o5b h GLY 73 Ca 0.19 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.65 2o5b h GLY 73 CO 0.01 -0.16 -0.10 -1.33 0.00 0.00 0.00 176.54 174.95 2o5b h GLY 74 N 0.03 -0.20 0.18 4.60 0.00 -1.42 -1.66 103.07 104.60 2o5b h GLY 74 Ca 0.23 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.74 2o5b h GLY 74 CO -0.45 -0.11 -0.20 -2.22 0.00 0.00 0.00 176.54 173.56 2o5b h ILE 75 N -0.22 0.46 -0.90 2.60 2.04 -0.88 -2.90 117.51 117.71 2o5b h ILE 75 Ca 0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.93 2o5b h ILE 75 Cb 0.22 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 2o5b h ILE 75 CO -0.04 0.00 0.57 -0.07 0.00 0.00 0.00 178.15 178.61 2o5b h LEU 76 N -0.18 0.91 -2.38 1.44 3.38 -0.54 -2.50 115.31 115.44 2o5b h LEU 76 Ca 0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2o5b h LEU 76 Cb 0.41 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2o5b h LEU 76 CO -0.39 0.59 0.00 0.11 0.09 0.00 0.00 178.44 178.84 2o5b h LYS 77 N 1.05 0.00 0.00 1.13 1.57 -1.10 -0.58 116.57 118.64 2o5b h LYS 77 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2o5b h LYS 77 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2o5b h LYS 77 CO -0.16 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.35 2o5b n LYS 78 N -3.03 0.75 -4.16 3.15 4.76 -0.94 -4.97 118.16 113.72 2o5b n LYS 78 Ca -0.02 0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.13 2o5b n LYS 78 Cb 0.15 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.79 2o5b n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2o5b n LYS 79 N -1.10 -2.32 -1.09 1.97 5.02 -0.22 -0.19 118.16 120.23 2o5b n LYS 79 Ca 0.19 0.28 -0.03 0.00 -2.02 0.00 0.00 58.31 56.73 2o5b n LYS 79 Cb 0.14 -4.33 -0.01 0.00 -0.02 0.00 0.00 35.03 30.82 2o5b n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2o5b n GLY 80 N -2.02 0.46 2.78 0.72 0.00 -1.26 -4.84 105.19 101.03 2o5b n GLY 80 Ca -0.22 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 2o5b n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2o5b n HIS 81 N -2.41 2.71 -1.04 1.61 8.25 0.74 -4.87 115.22 120.20 2o5b n HIS 81 Ca -0.03 -2.75 0.09 0.00 -0.26 0.00 0.00 57.72 54.77 2o5b n HIS 81 Cb 0.35 -1.13 0.19 0.00 1.12 0.00 0.00 29.99 30.52 2o5b n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2o5b n HIS 82 N 0.48 0.42 -0.25 4.41 1.44 -1.26 -4.81 115.22 115.66 2o5b n HIS 82 Ca 0.37 -0.95 -0.07 0.00 -2.01 0.00 0.00 57.72 55.07 2o5b n HIS 82 Cb 0.30 -0.22 0.05 0.00 0.12 0.00 0.00 29.99 30.24 2o5b n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2o5b h GLU 83 N 0.80 1.03 -0.57 -1.40 4.57 -1.96 -0.51 114.58 116.52 2o5b h GLU 83 Ca 0.00 -0.18 -0.11 0.00 -1.18 0.00 0.00 59.36 57.89 2o5b h GLU 83 Cb 1.20 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 2o5b h GLU 83 CO 0.10 0.84 -0.06 0.00 -1.18 0.00 0.00 179.01 178.71 2o5b h ALA 84 N 1.13 0.80 -0.24 2.92 0.00 -2.02 -1.52 119.26 120.34 2o5b h ALA 84 Ca 0.23 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2o5b h ALA 84 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2o5b h ALA 84 CO -0.02 0.67 0.15 0.93 0.00 0.00 0.00 179.25 180.98 2o5b h GLU 85 N 0.95 0.32 0.16 0.00 3.07 -1.91 -3.39 114.58 113.78 2o5b h GLU 85 Ca 0.16 -0.03 -0.22 0.00 -0.50 0.00 0.00 59.36 58.77 2o5b h GLU 85 Cb 0.62 -0.07 0.02 0.00 -0.84 0.00 0.00 28.75 28.49 2o5b h GLU 85 CO 0.04 0.25 -0.96 1.25 -1.40 0.00 0.00 179.01 178.18 2o5b h LEU 86 N 0.30 0.53 -0.37 1.33 6.46 -0.96 -3.34 115.31 119.28 2o5b h LEU 86 Ca 0.09 -0.94 0.08 0.00 -0.12 0.00 0.00 57.88 56.98 2o5b h LEU 86 Cb 0.00 -0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 39.67 2o5b h LEU 86 CO -0.02 1.46 -0.26 0.50 -0.62 0.00 0.00 178.44 179.51 2o5b h LYS 87 N -0.28 -0.20 0.00 1.25 3.64 -1.47 -0.35 116.57 119.17 2o5b h LYS 87 Ca -0.17 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 2o5b h LYS 87 Cb 1.75 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.60 2o5b h LYS 87 CO 0.17 -0.13 -0.26 -1.00 -2.27 0.00 0.00 179.45 175.96 2o5b h PRO 88 N -0.21 0.00 0.22 1.90 0.13 -1.76 -1.79 132.00 130.49 2o5b h PRO 88 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 2o5b h PRO 88 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 2o5b h PRO 88 CO -0.49 0.26 -0.12 1.25 -0.23 0.00 0.00 178.00 178.67 2o5b h LEU 89 N 0.00 -0.30 -0.60 1.56 6.46 -1.51 -1.73 115.31 119.19 2o5b h LEU 89 Ca -0.00 0.02 0.12 0.00 -0.12 0.00 0.00 57.88 57.89 2o5b h LEU 89 Cb 0.76 0.08 -0.09 0.00 -0.73 0.00 0.00 40.66 40.68 2o5b h LEU 89 CO 0.03 -0.20 0.09 0.00 -0.62 0.00 0.00 178.44 177.75 2o5b h ALA 90 N 0.46 0.68 -0.36 1.25 0.00 -1.05 -1.80 119.26 118.44 2o5b h ALA 90 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2o5b h ALA 90 Cb 0.26 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2o5b h ALA 90 CO 0.03 -0.34 0.17 1.96 0.00 0.00 0.00 179.25 181.08 2o5b h GLN 91 N 0.21 0.52 -0.71 0.00 4.20 -1.11 -0.36 115.11 117.87 2o5b h GLN 91 Ca 0.32 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 2o5b h GLN 91 Cb 0.49 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 2o5b h GLN 91 CO -0.44 0.47 0.28 0.66 -0.67 0.00 0.00 178.83 179.14 2o5b h SER 92 N 0.45 0.95 0.51 1.46 4.64 -1.26 0.36 113.55 120.65 2o5b h SER 92 Ca 0.12 -0.13 -0.16 0.00 -0.47 0.00 0.00 61.79 61.14 2o5b h SER 92 Cb 0.12 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2o5b h SER 92 CO -0.02 0.85 -0.72 0.45 -0.87 0.00 0.00 176.83 176.52 2o5b h HIS 93 N 1.02 0.24 0.04 4.77 3.86 -0.95 -1.09 115.15 123.04 2o5b h HIS 93 Ca 0.24 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2o5b h HIS 93 Cb 0.19 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2o5b h HIS 93 CO 0.02 0.83 -0.02 0.00 0.86 0.00 0.00 177.93 179.62 2o5b h ALA 94 N 1.14 -0.06 0.07 2.45 0.00 -0.87 0.23 119.26 122.22 2o5b h ALA 94 Ca -0.02 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 2o5b h ALA 94 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2o5b h ALA 94 CO 0.11 -0.18 -0.78 1.15 0.00 0.00 0.00 179.25 179.55 2o5b h THR 95 N -0.77 1.39 0.00 0.00 2.02 -0.99 -3.33 112.91 111.24 2o5b h THR 95 Ca -0.01 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.78 2o5b h THR 95 Cb 0.65 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 70.06 2o5b h THR 95 CO 0.01 0.62 -0.26 0.50 0.37 0.00 0.00 175.52 176.77 2o5b h LYS 96 N -0.64 0.00 0.01 6.66 3.64 -1.42 -3.41 116.57 121.41 2o5b h LYS 96 Ca -0.17 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.02 2o5b h LYS 96 Cb 1.43 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 2o5b h LYS 96 CO 0.03 0.00 -0.86 0.45 -2.27 0.00 0.00 179.45 176.80 2o5b h HIS 97 N -0.57 0.14 -5.13 1.91 3.86 -1.37 -3.48 115.15 110.50 2o5b h HIS 97 Ca 0.00 -0.08 -0.26 0.00 -1.16 0.00 0.00 60.37 58.88 2o5b h HIS 97 Cb 0.26 -0.01 0.16 0.00 1.06 0.00 0.00 27.41 28.87 2o5b h HIS 97 CO -0.11 0.91 -0.69 1.63 0.86 0.00 0.00 177.93 180.52 2o5b n LYS 98 N -3.59 -4.18 -3.19 2.45 5.02 0.58 -4.98 118.16 110.27 2o5b n LYS 98 Ca -0.02 0.74 -0.43 0.00 -2.02 0.00 0.00 58.31 56.58 2o5b n LYS 98 Cb 0.81 -5.34 -0.07 0.00 -0.02 0.00 0.00 35.03 30.41 2o5b n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2o5b s ILE 99 N -3.32 4.93 0.40 -0.18 -1.09 0.01 -5.00 121.20 116.94 2o5b s ILE 99 Ca 0.16 -0.20 -0.26 0.00 -2.23 0.00 0.00 60.65 58.12 2o5b s ILE 99 Cb -0.02 -4.18 -0.11 0.00 -1.58 0.00 0.00 42.46 36.58 2o5b s ILE 99 CO 0.63 -0.59 1.25 -2.65 -1.23 0.00 0.00 174.94 172.35 2o5b n PRO 100 N 6.02 1.92 -0.38 2.79 -0.02 -1.26 -4.71 135.00 139.36 2o5b n PRO 100 Ca -0.05 0.68 0.33 0.00 -2.02 0.00 0.00 63.50 62.45 2o5b n PRO 100 Cb 0.47 -2.33 0.66 0.00 -0.02 0.00 0.00 33.50 32.28 2o5b n PRO 100 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2o5b h ILE 101 N 2.16 0.35 -0.72 4.25 6.09 -1.96 -0.34 117.51 127.33 2o5b h ILE 101 Ca -0.47 -0.05 0.06 0.00 -1.37 0.00 0.00 64.86 63.03 2o5b h ILE 101 Cb 1.30 0.20 -0.04 0.00 0.47 0.00 0.00 36.82 38.74 2o5b h ILE 101 CO 0.60 0.03 0.47 0.50 -3.07 0.00 0.00 178.15 176.68 2o5b h LYS 102 N 0.14 0.74 -0.16 2.19 1.63 -1.99 -0.43 116.57 118.69 2o5b h LYS 102 Ca 0.66 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 60.26 2o5b h LYS 102 Cb 2.24 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 33.69 2o5b h LYS 102 CO -0.18 0.49 -0.54 1.88 -3.45 0.00 0.00 179.45 177.64 2o5b h TYR 103 N 0.76 0.58 -0.47 1.91 -1.99 -1.41 -1.57 116.97 114.78 2o5b h TYR 103 Ca 0.31 -0.20 -0.04 0.00 2.00 0.00 0.00 58.73 60.80 2o5b h TYR 103 Cb 0.24 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 2o5b h TYR 103 CO -0.00 0.91 0.14 -0.07 -0.00 0.00 0.00 178.16 179.14 2o5b h LEU 104 N 0.36 0.63 -0.44 3.88 3.38 -1.16 0.39 115.31 122.35 2o5b h LEU 104 Ca 0.01 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 2o5b h LEU 104 Cb 1.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2o5b h LEU 104 CO 0.10 0.60 -0.12 -0.08 0.09 0.00 0.00 178.44 179.03 2o5b h GLU 105 N 0.67 0.86 -0.37 1.13 4.81 -0.97 -2.20 114.58 118.51 2o5b h GLU 105 Ca 0.16 -0.34 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2o5b h GLU 105 Cb 0.21 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 2o5b h GLU 105 CO -0.01 0.97 0.17 0.74 -0.73 0.00 0.00 179.01 180.15 2o5b h PHE 106 N 0.69 0.31 0.00 0.92 0.04 -0.81 -1.57 116.94 116.52 2o5b h PHE 106 Ca 0.11 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 2o5b h PHE 106 Cb 0.67 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 2o5b h PHE 106 CO 0.05 0.16 -0.44 0.97 -0.60 0.00 0.00 178.31 178.44 2o5b h ILE 107 N 0.35 1.16 -0.36 -0.55 2.10 -0.95 -1.25 117.51 118.01 2o5b h ILE 107 Ca 0.16 -1.61 -0.00 0.00 1.08 0.00 0.00 64.86 64.49 2o5b h ILE 107 Cb 0.09 1.90 -0.02 0.00 -1.09 0.00 0.00 36.82 37.70 2o5b h ILE 107 CO -0.12 0.43 0.21 0.28 -1.08 0.00 0.00 178.15 177.87 2o5b h SER 108 N 0.00 0.43 -0.94 2.19 0.02 -1.15 -1.20 113.55 112.91 2o5b h SER 108 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2o5b h SER 108 Cb 0.87 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.25 2o5b h SER 108 CO 0.06 0.36 0.60 0.44 -1.14 0.00 0.00 176.83 177.14 2o5b h ASP 109 N 0.47 1.10 -0.24 3.07 3.32 -1.09 -1.56 116.42 121.49 2o5b h ASP 109 Ca 0.13 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 2o5b h ASP 109 Cb 0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 2o5b h ASP 109 CO -0.02 0.82 -0.08 0.00 -1.72 0.00 0.00 179.24 178.23 2o5b h ALA 110 N 1.33 1.19 -0.34 3.45 0.00 -0.97 0.64 119.26 124.56 2o5b h ALA 110 Ca 0.34 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2o5b h ALA 110 Cb -0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2o5b h ALA 110 CO -0.07 0.52 -0.39 0.82 0.00 0.00 0.00 179.25 180.13 2o5b h ILE 111 N 0.57 1.28 0.15 0.00 2.04 -0.84 -0.27 117.51 120.44 2o5b h ILE 111 Ca 0.11 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 2o5b h ILE 111 Cb 0.48 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2o5b h ILE 111 CO 0.03 0.52 -0.07 0.40 0.00 0.00 0.00 178.15 179.02 2o5b h ILE 112 N 0.65 0.87 -0.38 -0.67 1.08 -1.08 -1.02 117.51 116.96 2o5b h ILE 112 Ca 0.05 -0.06 0.08 0.00 -0.39 0.00 0.00 64.86 64.53 2o5b h ILE 112 Cb 0.99 0.90 -0.08 0.00 -3.07 0.00 0.00 36.82 35.56 2o5b h ILE 112 CO 0.09 0.01 -0.13 -0.74 -0.69 0.00 0.00 178.15 176.70 2o5b h HIS 113 N -0.23 -0.29 -0.84 1.37 2.76 -0.72 -2.39 115.15 114.81 2o5b h HIS 113 Ca -0.02 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 2o5b h HIS 113 Cb 0.18 0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.29 2o5b h HIS 113 CO -0.06 -0.20 0.39 0.28 -1.30 0.00 0.00 177.93 177.04 2o5b h VAL 114 N -0.04 1.26 -0.65 5.26 2.07 -0.94 0.05 116.25 123.26 2o5b h VAL 114 Ca 0.19 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 67.01 2o5b h VAL 114 Cb 0.33 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2o5b h VAL 114 CO -0.42 0.32 0.37 -0.07 0.02 0.00 0.00 177.57 177.79 2o5b h LEU 115 N 1.20 0.56 -0.61 2.57 3.38 -0.96 -0.48 115.31 120.97 2o5b h LEU 115 Ca 0.29 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.19 2o5b h LEU 115 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2o5b h LEU 115 CO -0.03 0.37 0.03 0.45 0.09 0.00 0.00 178.44 179.35 2o5b h HIS 116 N 0.69 1.14 -0.25 1.13 3.86 -0.95 -1.94 115.15 118.83 2o5b h HIS 116 Ca 0.28 -0.19 -0.18 0.00 -1.16 0.00 0.00 60.37 59.13 2o5b h HIS 116 Cb 0.14 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.31 2o5b h HIS 116 CO -0.07 0.99 -0.54 1.03 0.86 0.00 0.00 177.93 180.20 2o5b h SER 117 N 0.95 0.90 0.43 2.45 0.87 -0.78 -2.77 113.55 115.60 2o5b h SER 117 Ca 0.18 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2o5b h SER 117 Cb 0.52 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2o5b h SER 117 CO 0.02 1.29 -0.22 0.29 -0.53 0.00 0.00 176.83 177.69 2o5b n LYS 118 N -4.06 0.51 -2.84 2.24 5.02 -0.21 -4.32 118.16 114.50 2o5b n LYS 118 Ca -0.05 -0.23 -0.11 0.00 -2.02 0.00 0.00 58.31 55.90 2o5b n LYS 118 Cb 0.62 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.17 2o5b n LYS 118 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2o5b n HIS 119 N -1.05 -0.48 -1.89 2.13 8.25 -0.73 -5.05 115.22 116.40 2o5b n HIS 119 Ca 0.11 -2.84 -0.42 0.00 -0.26 0.00 0.00 57.72 54.31 2o5b n HIS 119 Cb 0.31 0.31 -0.03 0.00 1.12 0.00 0.00 29.99 31.70 2o5b n HIS 119 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2o5b s PRO 120 N -1.74 4.20 -1.20 -0.41 0.02 -1.05 -1.60 135.00 133.22 2o5b s PRO 120 Ca 0.29 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.73 2o5b s PRO 120 Cb 0.39 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.78 2o5b s PRO 120 CO -0.04 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 2o5b n GLY 121 N 3.52 -0.35 0.00 0.52 0.00 -1.26 -4.79 105.19 102.83 2o5b n GLY 121 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2o5b n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2o5b n ASP 122 N -1.74 0.45 -3.51 1.61 2.03 -0.62 -4.94 116.55 109.84 2o5b n ASP 122 Ca -0.16 -1.07 -0.29 0.00 0.52 0.00 0.00 54.79 53.79 2o5b n ASP 122 Cb 0.61 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.89 2o5b n ASP 122 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2o5b s PHE 123 N -0.07 1.11 0.84 -0.67 5.36 -1.20 -5.07 117.98 118.27 2o5b s PHE 123 Ca 0.00 -1.96 -0.08 0.00 -0.96 0.00 0.00 56.93 53.93 2o5b s PHE 123 Cb 0.00 -1.15 0.16 0.00 -0.34 0.00 0.00 43.02 41.70 2o5b s PHE 123 CO 0.00 -0.81 1.15 0.20 -1.46 0.00 0.00 175.22 174.30 2o5b s GLY 124 N 0.67 1.77 0.26 13.12 0.00 -1.26 -4.65 107.32 117.22 2o5b s GLY 124 Ca 0.21 -1.50 -0.09 0.00 0.00 0.00 0.00 44.72 43.34 2o5b s GLY 124 CO -0.04 -0.83 1.59 0.00 0.00 0.00 0.00 173.10 173.82 2o5b h ALA 125 N -1.06 0.64 -0.13 3.20 0.00 -2.00 -0.18 119.26 119.73 2o5b h ALA 125 Ca -0.40 0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2o5b h ALA 125 Cb 1.25 0.62 0.01 0.00 0.00 0.00 0.00 17.79 19.66 2o5b h ALA 125 CO 0.39 -0.42 -0.60 0.38 0.00 0.00 0.00 179.25 179.00 2o5b h ASP 126 N 0.01 0.75 -0.34 0.00 2.03 -2.00 -1.97 116.42 114.90 2o5b h ASP 126 Ca 0.42 -0.63 -0.16 0.00 -0.73 0.00 0.00 57.03 55.93 2o5b h ASP 126 Cb 0.68 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 38.96 2o5b h ASP 126 CO -0.86 1.26 -0.41 0.00 -1.03 0.00 0.00 179.24 178.20 2o5b h ALA 127 N 0.51 0.51 -0.77 4.15 0.00 -1.83 -2.44 119.26 119.39 2o5b h ALA 127 Ca -0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2o5b h ALA 127 Cb 1.24 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2o5b h ALA 127 CO 0.12 0.63 0.38 0.37 0.00 0.00 0.00 179.25 180.76 2o5b h GLN 128 N 0.68 1.10 -0.42 0.00 4.15 -1.04 -1.39 115.11 118.19 2o5b h GLN 128 Ca 0.04 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.35 2o5b h GLN 128 Cb 1.01 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 28.46 2o5b h GLN 128 CO 0.10 0.85 0.17 0.78 -1.93 0.00 0.00 178.83 178.80 2o5b h GLY 129 N 1.08 0.56 1.06 2.39 0.00 -1.30 -1.81 103.07 105.05 2o5b h GLY 129 Ca 0.27 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 2o5b h GLY 129 CO -0.04 0.05 0.13 0.00 0.00 0.00 0.00 176.54 176.68 2o5b h ALA 130 N 1.26 0.89 -0.17 3.60 0.00 -1.20 -1.01 119.26 122.62 2o5b h ALA 130 Ca 0.19 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2o5b h ALA 130 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2o5b h ALA 130 CO -0.17 0.64 -0.02 1.98 0.00 0.00 0.00 179.25 181.68 2o5b h MET 131 N 1.02 0.32 -0.54 0.00 -1.53 -1.26 0.21 114.93 113.15 2o5b h MET 131 Ca 0.21 -0.11 0.11 0.00 -3.44 0.00 0.00 59.70 56.47 2o5b h MET 131 Cb 0.42 -0.02 -0.09 0.00 -0.55 0.00 0.00 31.60 31.35 2o5b h MET 131 CO 0.01 0.55 -0.01 1.15 0.14 0.00 0.00 176.91 178.75 2o5b h THR 132 N 0.05 0.55 -0.73 -0.77 2.02 -1.31 0.96 112.91 113.67 2o5b h THR 132 Ca 0.05 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 2o5b h THR 132 Cb 0.42 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2o5b h THR 132 CO 0.01 0.02 0.26 0.11 0.37 0.00 0.00 175.52 176.29 2o5b h LYS 133 N 0.10 1.11 -0.83 6.66 1.57 -0.63 -0.67 116.57 123.89 2o5b h LYS 133 Ca 0.28 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2o5b h LYS 133 Cb 0.43 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2o5b h LYS 133 CO -0.47 0.92 0.41 0.00 -0.57 0.00 0.00 179.45 179.74 2o5b h ALA 134 N 1.21 1.07 -0.23 3.86 0.00 0.11 -1.91 119.26 123.37 2o5b h ALA 134 Ca 0.24 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2o5b h ALA 134 Cb 0.25 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2o5b h ALA 134 CO -0.02 0.62 -0.58 -0.07 0.00 0.00 0.00 179.25 179.21 2o5b h LEU 135 N 1.18 0.83 -0.69 0.00 3.38 -0.66 -2.21 115.31 117.13 2o5b h LEU 135 Ca 0.29 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.89 2o5b h LEU 135 Cb 0.10 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 2o5b h LEU 135 CO -0.04 1.23 0.35 -0.33 0.09 0.00 0.00 178.44 179.74 2o5b h GLU 136 N 0.56 0.58 -0.42 1.13 5.08 -1.06 -1.24 114.58 119.20 2o5b h GLU 136 Ca 0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2o5b h GLU 136 Cb 1.17 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2o5b h GLU 136 CO 0.12 0.38 0.07 1.25 -1.00 0.00 0.00 179.01 179.83 2o5b h LEU 137 N 0.60 0.67 -0.11 1.33 5.85 -1.26 0.41 115.31 122.80 2o5b h LEU 137 Ca 0.34 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2o5b h LEU 137 Cb 0.34 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 2o5b h LEU 137 CO -0.26 0.76 -0.34 0.15 -0.34 0.00 0.00 178.44 178.42 2o5b h PHE 138 N 0.56 -0.93 -0.31 1.25 3.57 -1.31 -0.44 116.94 119.33 2o5b h PHE 138 Ca 0.13 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2o5b h PHE 138 Cb 0.37 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 2o5b h PHE 138 CO 0.03 -0.41 0.18 -0.09 -2.23 0.00 0.00 178.31 175.78 2o5b h ARG 139 N -0.42 0.43 -0.52 1.11 2.43 -1.04 -1.74 114.38 114.63 2o5b h ARG 139 Ca 0.09 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.30 2o5b h ARG 139 Cb 0.56 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.96 2o5b h ARG 139 CO -0.35 0.36 0.12 -0.97 -1.51 0.00 0.00 179.97 177.62 2o5b h ASN 140 N 0.39 0.04 0.06 -3.80 -1.24 -0.01 0.14 115.58 111.15 2o5b h ASN 140 Ca 0.11 0.09 -0.10 0.00 0.71 0.00 0.00 56.30 57.11 2o5b h ASN 140 Cb 0.05 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 2o5b h ASN 140 CO -0.02 0.05 -0.31 0.44 -1.29 0.00 0.00 177.43 176.30 2o5b h ASP 141 N 0.27 0.38 -0.22 1.15 3.32 -0.93 -2.21 116.42 118.18 2o5b h ASP 141 Ca 0.26 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 2o5b h ASP 141 Cb 0.34 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2o5b h ASP 141 CO -0.32 0.68 -0.40 0.40 -1.72 0.00 0.00 179.24 177.88 2o5b h ILE 142 N 0.33 1.32 -0.91 0.35 2.04 -0.98 -3.22 117.51 116.43 2o5b h ILE 142 Ca 0.04 -1.62 0.13 0.00 1.00 0.00 0.00 64.86 64.42 2o5b h ILE 142 Cb 0.71 1.82 -0.09 0.00 -0.74 0.00 0.00 36.82 38.52 2o5b h ILE 142 CO 0.05 0.51 0.52 0.00 0.00 0.00 0.00 178.15 179.24 2o5b h ALA 143 N 0.62 1.38 -0.22 1.87 0.00 -0.59 -0.48 119.26 121.83 2o5b h ALA 143 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2o5b h ALA 143 Cb 1.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2o5b h ALA 143 CO 0.09 0.04 0.15 0.00 0.00 0.00 0.00 179.25 179.53 2o5b h ALA 144 N 1.54 0.28 -0.85 0.00 0.00 -1.41 -0.01 119.26 118.82 2o5b h ALA 144 Ca 0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2o5b h ALA 144 Cb 0.58 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2o5b h ALA 144 CO -0.31 -0.24 0.44 0.87 0.00 0.00 0.00 179.25 180.01 2o5b h LYS 145 N 0.30 1.19 -0.47 0.00 1.79 -1.51 -2.38 116.57 115.49 2o5b h LYS 145 Ca 0.08 -0.15 0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2o5b h LYS 145 Cb -0.03 -0.23 -0.03 0.00 -1.58 0.00 0.00 32.23 30.37 2o5b h LYS 145 CO -0.02 0.88 0.30 1.88 -1.08 0.00 0.00 179.45 181.42 2o5b h TYR 146 N 1.19 0.57 -0.47 -1.35 -1.99 -0.81 -2.03 116.97 112.08 2o5b h TYR 146 Ca 0.30 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 61.02 2o5b h TYR 146 Cb 0.06 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 2o5b h TYR 146 CO 0.01 0.35 0.22 -0.22 -0.00 0.00 0.00 178.16 178.53 2o5b h LYS 147 N 0.61 0.68 -0.53 4.88 3.64 -0.71 -1.38 116.57 123.77 2o5b h LYS 147 Ca 0.18 -0.10 0.11 0.00 -1.27 0.00 0.00 60.65 59.56 2o5b h LYS 147 Cb -0.05 -0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 31.56 2o5b h LYS 147 CO -0.05 0.58 -0.07 1.49 -2.27 0.00 0.00 179.45 179.12 2o5b h GLU 148 N 0.62 0.04 0.00 1.90 4.81 -1.35 -2.27 114.58 118.34 2o5b h GLU 148 Ca 0.16 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2o5b h GLU 148 Cb 0.13 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2o5b h GLU 148 CO -0.02 0.03 0.00 1.28 -0.73 0.00 0.00 179.01 179.57 2o5b n LEU 149 N -5.32 0.00 -0.83 1.64 4.77 -0.77 -4.92 117.00 111.58 2o5b n LEU 149 Ca 0.06 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 56.04 2o5b n LEU 149 Cb 0.29 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2o5b n LEU 149 CO 0.11 -0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.68 2o5b n GLY 150 N 1.08 1.19 3.64 -0.72 0.00 -0.81 -4.99 105.19 104.58 2o5b n GLY 150 Ca 0.20 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 2o5b n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2o5b s PHE 151 N -2.34 2.58 0.00 1.61 5.36 -0.58 -5.03 117.98 119.58 2o5b s PHE 151 Ca 0.00 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 2o5b s PHE 151 Cb 0.00 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 2o5b s PHE 151 CO 0.00 -2.00 0.00 1.04 -1.46 0.00 0.00 175.22 172.80