#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dnf n VAL 2 N 0.00 0.00 -3.32 3.17 0.24 -1.26 -5.06 118.33 112.09 3dnf n VAL 2 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 3dnf n VAL 2 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 3dnf n VAL 2 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dnf s ASP 3 N -0.49 6.28 -0.21 -1.34 -1.08 -0.77 -5.03 116.67 114.03 3dnf s ASP 3 Ca 0.00 0.09 -0.05 0.00 -0.52 0.00 0.00 52.55 52.07 3dnf s ASP 3 Cb 0.00 -2.23 -0.02 0.00 -1.46 0.00 0.00 42.92 39.20 3dnf s ASP 3 CO 0.00 -0.33 0.00 -0.63 0.52 0.00 0.00 175.17 174.73 3dnf s ILE 4 N 2.20 3.93 -0.20 4.11 1.09 -1.26 -0.53 121.20 130.53 3dnf s ILE 4 Ca 0.16 -0.32 -0.00 0.00 -1.10 0.00 0.00 60.65 59.39 3dnf s ILE 4 Cb -0.16 -2.79 0.02 0.00 -1.06 0.00 0.00 42.46 38.47 3dnf s ILE 4 CO 0.11 0.41 -0.15 -0.51 -0.10 0.00 0.00 174.94 174.71 3dnf s ILE 5 N 1.15 2.42 -0.21 2.92 2.07 0.45 -4.98 121.20 125.02 3dnf s ILE 5 Ca 0.03 -0.91 -0.27 0.00 -1.41 0.00 0.00 60.65 58.09 3dnf s ILE 5 Cb -0.14 -2.09 -0.00 0.00 0.13 0.00 0.00 42.46 40.35 3dnf s ILE 5 CO 0.01 0.44 0.92 -0.63 -1.91 0.00 0.00 174.94 173.78 3dnf s ILE 6 N 1.32 4.78 0.42 2.00 1.01 -1.26 -1.14 121.20 128.33 3dnf s ILE 6 Ca 0.04 1.79 -0.26 0.00 0.00 0.00 0.00 60.65 62.22 3dnf s ILE 6 Cb -0.14 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 38.02 3dnf s ILE 6 CO -0.10 -0.08 1.39 0.00 0.00 0.00 0.00 174.94 176.15 3dnf n ALA 7 N 5.87 1.87 -1.76 9.38 0.00 0.13 -4.93 120.51 131.07 3dnf n ALA 7 Ca 0.08 0.28 -0.41 0.00 0.00 0.00 0.00 53.44 53.39 3dnf n ALA 7 Cb 0.47 -2.36 -0.01 0.00 0.00 0.00 0.00 19.45 17.56 3dnf n ALA 7 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3dnf n GLU 8 N 0.07 2.69 -0.96 0.00 2.13 -1.26 -2.28 120.64 121.04 3dnf n GLU 8 Ca 0.05 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.82 3dnf n GLU 8 Cb 0.40 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.40 3dnf n GLU 8 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3dnf n HIS 9 N 1.29 0.00 -1.66 4.31 8.25 -1.26 -4.72 115.22 121.43 3dnf n HIS 9 Ca 0.05 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.04 3dnf n HIS 9 Cb 0.38 -0.47 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 3dnf n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dnf n ALA 10 N 1.00 1.06 0.00 -1.41 0.00 -0.96 -4.70 120.51 115.50 3dnf n ALA 10 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3dnf n ALA 10 Cb 0.09 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.23 3dnf n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dnf n GLY 11 N 3.15 0.12 3.75 0.00 0.00 -0.54 -4.84 105.19 106.83 3dnf n GLY 11 Ca 0.16 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 3dnf n GLY 11 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dnf n PHE 12 N 1.71 2.83 -1.31 1.61 3.72 -1.18 -4.15 117.46 120.71 3dnf n PHE 12 Ca 0.00 0.42 -0.29 0.00 -0.05 0.00 0.00 57.45 57.53 3dnf n PHE 12 Cb 0.00 -2.53 0.16 0.00 -0.94 0.00 0.00 39.48 36.18 3dnf n PHE 12 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dnf h PHE 14 N -1.78 -0.55 -0.78 0.00 3.57 -1.99 -1.56 116.94 113.86 3dnf h PHE 14 Ca -0.53 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 60.98 3dnf h PHE 14 Cb 1.33 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 40.35 3dnf h PHE 14 CO 0.26 -0.30 0.34 0.78 -2.23 0.00 0.00 178.31 177.17 3dnf h GLY 15 N -0.12 1.22 1.06 2.40 0.00 -1.99 -0.65 103.07 104.99 3dnf h GLY 15 Ca 0.21 -0.64 -0.18 0.00 0.00 0.00 0.00 47.33 46.72 3dnf h GLY 15 CO -0.53 0.60 -0.62 -2.08 0.00 0.00 0.00 176.54 173.92 3dnf h VAL 16 N 1.11 1.31 -0.45 4.60 2.07 -1.84 -0.63 116.25 122.41 3dnf h VAL 16 Ca 0.26 -1.84 0.07 0.00 0.82 0.00 0.00 66.70 66.01 3dnf h VAL 16 Cb 0.17 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 3dnf h VAL 16 CO -0.03 0.58 0.09 0.11 0.02 0.00 0.00 177.57 178.34 3dnf h LYS 17 N 0.42 0.22 -0.36 1.57 1.57 -1.16 -0.36 116.57 118.46 3dnf h LYS 17 Ca -0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3dnf h LYS 17 Cb 1.24 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 3dnf h LYS 17 CO 0.13 0.14 0.17 -0.09 -0.57 0.00 0.00 179.45 179.23 3dnf h ARG 18 N 0.22 0.52 -0.58 3.15 2.43 -0.99 -1.92 114.38 117.21 3dnf h ARG 18 Ca 0.22 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3dnf h ARG 18 Cb 0.28 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 3dnf h ARG 18 CO -0.29 0.47 0.35 0.00 -1.51 0.00 0.00 179.97 178.99 3dnf h ALA 19 N 1.02 0.76 -0.47 2.80 0.00 -0.68 0.24 119.26 122.93 3dnf h ALA 19 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dnf h ALA 19 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dnf h ALA 19 CO -0.02 0.06 0.30 0.28 0.00 0.00 0.00 179.25 179.88 3dnf h VAL 20 N 0.68 1.13 -0.43 0.00 2.07 -0.87 -0.46 116.25 118.38 3dnf h VAL 20 Ca 0.24 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3dnf h VAL 20 Cb 0.05 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3dnf h VAL 20 CO -0.12 0.13 0.17 0.50 0.02 0.00 0.00 177.57 178.27 3dnf h LYS 21 N 0.63 0.64 -0.62 1.57 3.64 -1.04 -0.53 116.57 120.86 3dnf h LYS 21 Ca 0.17 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3dnf h LYS 21 Cb -0.05 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3dnf h LYS 21 CO -0.03 0.60 0.19 -0.07 -2.27 0.00 0.00 179.45 177.86 3dnf h LEU 22 N 0.55 0.88 -0.18 5.20 3.38 -0.68 0.29 115.31 124.74 3dnf h LEU 22 Ca 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3dnf h LEU 22 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3dnf h LEU 22 CO -0.01 0.83 0.05 0.00 0.09 0.00 0.00 178.44 179.40 3dnf h ALA 23 N 1.29 0.24 -0.45 1.53 0.00 -0.68 -1.59 119.26 119.60 3dnf h ALA 23 Ca 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3dnf h ALA 23 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3dnf h ALA 23 CO -0.01 -0.12 0.15 0.93 0.00 0.00 0.00 179.25 180.20 3dnf h GLU 24 N 0.11 0.69 -0.41 0.00 5.08 -0.83 -2.86 114.58 116.37 3dnf h GLU 24 Ca 0.06 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3dnf h GLU 24 Cb 0.26 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3dnf h GLU 24 CO 0.00 0.66 0.15 0.93 -1.00 0.00 0.00 179.01 179.75 3dnf h GLU 25 N 0.59 0.59 0.00 2.33 5.08 -0.83 -2.79 114.58 119.55 3dnf h GLU 25 Ca 0.15 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3dnf h GLU 25 Cb 0.25 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3dnf h GLU 25 CO -0.01 0.50 -0.01 0.66 -1.00 0.00 0.00 179.01 179.15 3dnf h SER 26 N 0.58 0.00 -0.15 1.42 4.64 -1.04 -2.01 113.55 117.00 3dnf h SER 26 Ca 0.14 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.48 3dnf h SER 26 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3dnf h SER 26 CO -0.01 0.01 0.10 -0.07 -0.87 0.00 0.00 176.83 175.99 3dnf h LEU 27 N 0.00 0.13 -0.03 5.97 3.38 -1.58 -1.92 115.31 121.26 3dnf h LEU 27 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dnf h LEU 27 Cb 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dnf h LEU 27 CO 0.00 0.09 -0.01 0.29 0.09 0.00 0.00 178.44 178.90 3dnf n LYS 28 N -4.51 0.62 0.00 1.13 5.02 -0.75 -3.49 118.16 116.18 3dnf n LYS 28 Ca -0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3dnf n LYS 28 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3dnf n LYS 28 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3dnf n GLU 29 N -1.16 -0.47 -3.41 1.97 0.28 -0.89 -5.04 120.64 111.92 3dnf n GLU 29 Ca 0.17 -0.25 -0.42 0.00 -0.16 0.00 0.00 57.16 56.49 3dnf n GLU 29 Cb 0.21 -0.75 -0.09 0.00 1.43 0.00 0.00 31.44 32.23 3dnf n GLU 29 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 3dnf s SER 30 N -0.01 6.15 0.38 -1.84 0.01 -0.77 -4.93 113.70 112.69 3dnf s SER 30 Ca 0.00 -0.61 0.20 0.00 1.31 0.00 0.00 55.95 56.85 3dnf s SER 30 Cb 0.00 -2.19 0.57 0.00 0.21 0.00 0.00 66.02 64.61 3dnf s SER 30 CO 0.00 -0.44 1.67 1.56 0.41 0.00 0.00 173.24 176.44 3dnf h GLN 31 N 8.61 0.00 0.00 12.44 4.20 -1.90 -3.46 115.11 135.00 3dnf h GLN 31 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 3dnf h GLN 31 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 3dnf h GLN 31 CO 0.73 0.33 0.00 0.41 -0.67 0.00 0.00 178.83 179.64 3dnf n GLY 32 N 0.56 2.51 3.75 3.46 0.00 -1.23 -5.06 105.19 109.19 3dnf n GLY 32 Ca 0.01 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 3dnf n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dnf s LYS 33 N -0.97 4.79 -0.22 1.61 2.20 -1.26 -4.70 119.74 121.18 3dnf s LYS 33 Ca 0.00 1.54 -0.15 0.00 -0.36 0.00 0.00 55.97 57.00 3dnf s LYS 33 Cb 0.00 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 3dnf s LYS 33 CO 0.00 0.40 0.37 0.08 -0.36 0.00 0.00 175.35 175.84 3dnf s VAL 34 N -0.94 5.21 0.08 4.02 1.01 -1.26 -1.22 120.40 127.30 3dnf s VAL 34 Ca 0.43 0.62 0.08 0.00 0.00 0.00 0.00 61.98 63.11 3dnf s VAL 34 Cb -0.27 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3dnf s VAL 34 CO 0.33 0.24 -0.21 -0.31 0.00 0.00 0.00 175.10 175.15 3dnf s TYR 35 N 1.44 1.83 0.10 5.22 2.02 -0.19 -0.71 117.35 127.05 3dnf s TYR 35 Ca 0.17 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.41 3dnf s TYR 35 Cb -0.15 -1.03 -0.05 0.00 -0.40 0.00 0.00 41.96 40.32 3dnf s TYR 35 CO 0.08 0.17 0.35 0.95 -1.57 0.00 0.00 175.55 175.53 3dnf s THR 36 N -1.02 5.19 -1.03 -0.71 -4.23 0.03 -0.43 115.64 113.45 3dnf s THR 36 Ca 0.07 0.14 -0.23 0.00 -1.18 0.00 0.00 61.69 60.49 3dnf s THR 36 Cb -0.10 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 70.16 3dnf s THR 36 CO 0.03 0.16 1.55 -0.76 -0.54 0.00 0.00 174.62 175.06 3dnf s LEU 37 N -2.30 3.48 0.00 4.79 1.02 -0.20 -0.95 118.68 124.52 3dnf s LEU 37 Ca 0.36 -1.43 0.00 0.00 0.02 0.00 0.00 54.13 53.08 3dnf s LEU 37 Cb -0.13 -2.57 0.00 0.00 0.02 0.00 0.00 46.19 43.51 3dnf s LEU 37 CO 0.22 -1.67 0.00 0.61 0.02 0.00 0.00 176.35 175.52 3dnf n GLY 38 N 6.75 -1.53 3.77 -3.19 0.00 -1.25 -4.63 105.19 105.10 3dnf n GLY 38 Ca 0.35 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 3dnf n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dnf s PRO 39 N -1.78 4.25 0.40 1.61 0.04 -1.26 -4.30 135.00 133.96 3dnf s PRO 39 Ca 0.00 2.37 0.16 0.00 0.04 0.00 0.00 61.00 63.57 3dnf s PRO 39 Cb 0.00 -3.04 0.86 0.00 0.04 0.00 0.00 34.50 32.36 3dnf s PRO 39 CO 0.00 -0.37 1.87 0.97 0.04 0.00 0.00 177.00 179.51 3dnf h ILE 40 N 3.14 1.10 -3.47 0.56 2.10 -1.93 -3.44 117.51 115.57 3dnf h ILE 40 Ca -0.49 -1.11 -0.05 0.00 1.08 0.00 0.00 64.86 64.29 3dnf h ILE 40 Cb 1.23 1.62 -0.12 0.00 -1.09 0.00 0.00 36.82 38.46 3dnf h ILE 40 CO 0.68 0.31 -0.09 -0.51 -1.08 0.00 0.00 178.15 177.46 3dnf s ILE 41 N -4.18 0.05 -1.29 2.19 -1.16 -1.26 -4.80 121.20 110.76 3dnf s ILE 41 Ca -0.03 -0.86 -0.13 0.00 -0.51 0.00 0.00 60.65 59.12 3dnf s ILE 41 Cb 0.14 -1.51 0.13 0.00 0.61 0.00 0.00 42.46 41.83 3dnf s ILE 41 CO 0.70 -0.23 1.77 1.41 -2.81 0.00 0.00 174.94 175.77 3dnf n HIS 42 N -0.27 4.00 -3.31 3.50 8.25 -1.26 -4.74 115.22 121.39 3dnf n HIS 42 Ca -0.11 -3.02 -0.09 0.00 -0.26 0.00 0.00 57.72 54.24 3dnf n HIS 42 Cb 0.63 -2.24 -0.06 0.00 1.12 0.00 0.00 29.99 29.43 3dnf n HIS 42 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3dnf s ASN 43 N 2.45 0.28 0.31 0.41 3.84 -1.26 -4.96 114.94 116.01 3dnf s ASN 43 Ca 0.44 -0.16 0.05 0.00 0.21 0.00 0.00 52.86 53.40 3dnf s ASN 43 Cb 0.05 1.14 0.68 0.00 -0.55 0.00 0.00 41.25 42.58 3dnf s ASN 43 CO 0.00 -0.33 1.82 -0.65 -2.79 0.00 0.00 177.10 175.15 3dnf h PRO 44 N 8.16 0.82 -0.39 0.43 0.11 -1.96 -1.16 132.00 138.00 3dnf h PRO 44 Ca -0.12 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.79 3dnf h PRO 44 Cb 1.13 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3dnf h PRO 44 CO 0.27 0.54 -0.34 1.96 -0.21 0.00 0.00 178.00 180.22 3dnf h GLN 45 N 0.85 0.92 -0.24 1.05 4.20 -1.98 -0.28 115.11 119.64 3dnf h GLN 45 Ca 0.51 -0.47 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3dnf h GLN 45 Cb 0.69 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3dnf h GLN 45 CO -0.29 1.12 -0.02 1.49 -0.67 0.00 0.00 178.83 180.46 3dnf h GLU 46 N 0.74 0.43 -0.94 1.46 4.57 -1.85 0.18 114.58 119.17 3dnf h GLU 46 Ca 0.07 -0.15 0.07 0.00 -1.18 0.00 0.00 59.36 58.17 3dnf h GLU 46 Cb 0.92 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.41 3dnf h GLU 46 CO 0.09 0.63 0.59 0.28 -1.18 0.00 0.00 179.01 179.42 3dnf h VAL 47 N 0.19 1.05 -0.61 0.32 2.07 -1.20 -1.18 116.25 116.89 3dnf h VAL 47 Ca 0.06 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3dnf h VAL 47 Cb 0.45 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3dnf h VAL 47 CO 0.02 0.19 0.26 -1.13 0.02 0.00 0.00 177.57 176.93 3dnf h ASN 48 N 1.06 0.84 -0.49 0.57 -1.24 -0.79 0.12 115.58 115.65 3dnf h ASN 48 Ca 0.41 -0.16 0.02 0.00 0.71 0.00 0.00 56.30 57.28 3dnf h ASN 48 Cb 0.21 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 3dnf h ASN 48 CO -0.18 0.77 0.30 -0.09 -1.29 0.00 0.00 177.43 176.93 3dnf h ARG 49 N 0.85 0.58 -0.34 6.67 2.43 -0.35 -0.48 114.38 123.75 3dnf h ARG 49 Ca 0.21 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.18 3dnf h ARG 49 Cb 0.18 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3dnf h ARG 49 CO -0.02 0.39 -0.43 -0.07 -1.51 0.00 0.00 179.97 178.33 3dnf h LEU 50 N 0.60 0.94 -0.75 3.80 3.38 -0.96 -2.56 115.31 119.77 3dnf h LEU 50 Ca 0.19 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.79 3dnf h LEU 50 Cb -0.00 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 3dnf h LEU 50 CO -0.08 1.23 0.43 0.50 0.09 0.00 0.00 178.44 180.61 3dnf h LYS 51 N 0.70 0.74 0.00 1.13 3.64 -0.31 -0.53 116.57 121.95 3dnf h LYS 51 Ca 0.05 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3dnf h LYS 51 Cb 1.02 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3dnf h LYS 51 CO 0.10 0.49 -0.07 -0.91 -2.27 0.00 0.00 179.45 176.78 3dnf h ASN 52 N 0.76 0.00 1.42 4.20 2.35 -0.73 -1.06 115.58 122.51 3dnf h ASN 52 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3dnf h ASN 52 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3dnf h ASN 52 CO -0.21 0.07 0.00 -0.07 -1.65 0.00 0.00 177.43 175.58 3dnf h LEU 53 N 0.00 0.00 0.00 1.61 3.38 -0.89 -3.47 115.31 115.93 3dnf h LEU 53 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dnf h LEU 53 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3dnf h LEU 53 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3dnf n GLY 54 N 0.93 1.17 3.33 0.83 0.00 -0.40 -5.09 105.19 105.96 3dnf n GLY 54 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3dnf n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dnf s VAL 55 N -2.00 4.81 -0.14 1.61 1.01 -0.31 -4.07 120.40 121.31 3dnf s VAL 55 Ca 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 61.98 60.65 3dnf s VAL 55 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3dnf s VAL 55 CO 0.00 -0.58 0.12 -0.36 0.00 0.00 0.00 175.10 174.28 3dnf s PHE 56 N 1.54 3.49 -0.31 5.22 0.08 0.11 -2.41 117.98 125.71 3dnf s PHE 56 Ca 0.04 0.42 -0.29 0.00 0.12 0.00 0.00 56.93 57.22 3dnf s PHE 56 Cb -0.24 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 3dnf s PHE 56 CO 0.04 0.57 1.26 -1.25 -0.10 0.00 0.00 175.22 175.75 3dnf s PRO 57 N -0.60 3.93 0.53 0.24 0.04 -1.26 -0.79 135.00 137.09 3dnf s PRO 57 Ca 0.12 1.20 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 3dnf s PRO 57 Cb -0.12 -3.86 -0.05 0.00 0.04 0.00 0.00 34.50 30.51 3dnf s PRO 57 CO 0.02 -1.09 1.35 -1.54 0.04 0.00 0.00 177.00 175.77 3dnf s SER 58 N 2.61 5.42 -0.03 6.66 1.04 -0.12 -4.85 113.70 124.44 3dnf s SER 58 Ca 0.54 2.74 0.11 0.00 0.48 0.00 0.00 55.95 59.82 3dnf s SER 58 Cb -0.16 -2.63 -0.17 0.00 0.10 0.00 0.00 66.02 63.16 3dnf s SER 58 CO 0.22 -1.46 0.22 0.00 0.98 0.00 0.00 173.24 173.20 3dnf n GLN 59 N -0.88 0.56 0.00 4.02 10.64 -1.26 -3.76 117.38 126.70 3dnf n GLN 59 Ca 0.09 -0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3dnf n GLN 59 Cb 0.45 -1.27 0.00 0.00 -0.86 0.00 0.00 30.24 28.56 3dnf n GLN 59 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3dnf n GLY 60 N 1.92 2.29 2.29 2.61 0.00 -1.26 -5.02 105.19 108.01 3dnf n GLY 60 Ca -0.04 0.22 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 3dnf n GLY 60 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dnf n GLU 61 N 0.00 3.04 0.22 1.61 4.07 -1.26 -4.86 120.64 123.46 3dnf n GLU 61 Ca 0.00 -3.99 0.13 0.00 -0.06 0.00 0.00 57.16 53.23 3dnf n GLU 61 Cb 0.00 -2.07 0.23 0.00 -0.06 0.00 0.00 31.44 29.53 3dnf n GLU 61 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 3dnf h GLU 62 N 2.34 0.00 -7.05 5.31 9.09 -2.00 -3.45 114.58 118.82 3dnf h GLU 62 Ca 0.22 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.10 3dnf h GLU 62 Cb 1.42 0.00 0.11 0.00 -1.65 0.00 0.00 28.75 28.63 3dnf h GLU 62 CO 0.61 0.00 0.53 -0.59 0.05 0.00 0.00 179.01 179.60 3dnf s PHE 63 N -3.25 2.48 0.34 2.06 -0.12 -1.26 -5.04 117.98 113.18 3dnf s PHE 63 Ca 0.07 1.47 0.06 0.00 -0.05 0.00 0.00 56.93 58.47 3dnf s PHE 63 Cb 0.06 -3.58 -0.07 0.00 -0.63 0.00 0.00 43.02 38.80 3dnf s PHE 63 CO 0.66 -2.29 -0.00 -1.59 -0.05 0.00 0.00 175.22 171.94 3dnf s LYS 64 N -3.00 1.72 0.13 1.99 -2.85 -1.26 -5.03 119.74 111.44 3dnf s LYS 64 Ca 0.72 -1.93 -0.34 0.00 -1.00 0.00 0.00 55.97 53.41 3dnf s LYS 64 Cb -0.34 -1.23 -0.17 0.00 -2.06 0.00 0.00 37.83 34.03 3dnf s LYS 64 CO 0.39 -0.05 1.11 -1.91 0.10 0.00 0.00 175.35 174.99 3dnf n GLU 65 N -0.74 0.83 0.00 1.78 2.13 -1.26 -0.59 120.64 122.79 3dnf n GLU 65 Ca -0.04 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.07 3dnf n GLU 65 Cb 0.65 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.60 3dnf n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dnf n GLY 66 N 2.00 2.24 3.79 8.31 0.00 0.10 -4.99 105.19 116.65 3dnf n GLY 66 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3dnf n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dnf s ASP 67 N -1.92 4.76 -0.15 1.61 1.01 0.25 -3.54 116.67 118.68 3dnf s ASP 67 Ca 0.00 1.57 -0.06 0.00 0.71 0.00 0.00 52.55 54.77 3dnf s ASP 67 Cb 0.00 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 3dnf s ASP 67 CO 0.00 -1.83 0.05 -0.89 0.21 0.00 0.00 175.17 172.71 3dnf s THR 68 N -3.03 4.72 -0.08 -1.27 2.01 -0.36 -0.87 115.64 116.76 3dnf s THR 68 Ca 0.60 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.58 3dnf s THR 68 Cb -0.15 -3.09 -0.00 0.00 0.01 0.00 0.00 72.50 69.26 3dnf s THR 68 CO 0.55 0.51 -0.24 -0.69 -0.69 0.00 0.00 174.62 174.06 3dnf s VAL 69 N -0.03 2.05 -0.29 3.82 1.01 0.46 -1.03 120.40 126.39 3dnf s VAL 69 Ca 0.06 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 3dnf s VAL 69 Cb -0.12 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 3dnf s VAL 69 CO 0.01 0.56 0.12 -0.63 0.00 0.00 0.00 175.10 175.16 3dnf s ILE 70 N 0.11 4.42 0.13 2.22 1.01 0.43 -0.80 121.20 128.72 3dnf s ILE 70 Ca -0.12 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 3dnf s ILE 70 Cb -0.16 -3.20 -0.07 0.00 0.01 0.00 0.00 42.46 39.04 3dnf s ILE 70 CO 0.07 0.16 1.26 -0.63 0.00 0.00 0.00 174.94 175.79 3dnf s ILE 71 N 1.60 3.61 0.90 2.92 1.01 0.01 -1.03 121.20 130.22 3dnf s ILE 71 Ca 0.05 1.23 -0.11 0.00 0.00 0.00 0.00 60.65 61.81 3dnf s ILE 71 Cb -0.16 -3.79 0.13 0.00 0.01 0.00 0.00 42.46 38.65 3dnf s ILE 71 CO 0.05 0.14 1.09 -0.13 0.00 0.00 0.00 174.94 176.09 3dnf s ARG 72 N 0.53 1.19 0.61 2.79 0.52 -1.26 -2.24 118.95 121.10 3dnf s ARG 72 Ca 0.58 0.94 0.30 0.00 -0.52 0.00 0.00 55.73 57.03 3dnf s ARG 72 Cb -0.33 -1.79 1.68 0.00 0.52 0.00 0.00 34.95 35.03 3dnf s ARG 72 CO 0.33 -2.32 2.05 0.66 0.02 0.00 0.00 175.30 176.05 3dnf h SER 73 N -1.61 0.00 1.21 0.23 4.64 -1.87 0.28 113.55 116.44 3dnf h SER 73 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3dnf h SER 73 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3dnf h SER 73 CO 0.53 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.49 3dnf n HIS 74 N -3.58 0.50 -0.12 4.77 1.44 -1.26 -0.49 115.22 116.48 3dnf n HIS 74 Ca 0.02 0.15 0.02 0.00 -2.01 0.00 0.00 57.72 55.89 3dnf n HIS 74 Cb 0.38 -0.74 -0.00 0.00 0.12 0.00 0.00 29.99 29.74 3dnf n HIS 74 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3dnf n GLY 75 N 1.31 -1.65 3.20 -1.39 0.00 0.08 -4.16 105.19 102.59 3dnf n GLY 75 Ca 0.06 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 3dnf n GLY 75 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dnf s ILE 76 N -1.59 0.14 0.45 -0.61 -4.36 -1.26 -4.73 121.20 109.25 3dnf s ILE 76 Ca 0.00 -1.22 -0.24 0.00 -0.26 0.00 0.00 60.65 58.93 3dnf s ILE 76 Cb 0.00 -1.37 -0.09 0.00 1.25 0.00 0.00 42.46 42.25 3dnf s ILE 76 CO 0.00 -0.65 1.17 -2.65 0.24 0.00 0.00 174.94 173.05 3dnf n PRO 77 N -0.06 1.63 -0.15 0.37 -0.02 -1.26 -4.80 135.00 130.70 3dnf n PRO 77 Ca -0.15 0.58 -0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3dnf n PRO 77 Cb 0.62 -2.28 0.25 0.00 -0.02 0.00 0.00 33.50 32.08 3dnf n PRO 77 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3dnf h PRO 78 N 1.69 0.87 0.00 0.52 0.13 -1.83 -1.52 132.00 131.86 3dnf h PRO 78 Ca -0.47 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 3dnf h PRO 78 Cb 1.32 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3dnf h PRO 78 CO 0.58 0.64 -0.12 1.05 -0.23 0.00 0.00 178.00 179.92 3dnf h GLU 79 N 0.87 0.00 0.19 0.86 9.09 -1.90 -0.70 114.58 122.98 3dnf h GLU 79 Ca 0.22 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.32 3dnf h GLU 79 Cb 0.03 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.17 3dnf h GLU 79 CO -0.04 0.12 -1.32 -0.22 0.05 0.00 0.00 179.01 177.60 3dnf h LYS 80 N 0.00 0.57 -0.70 1.06 3.64 -1.67 -1.59 116.57 117.88 3dnf h LYS 80 Ca -0.00 -0.86 0.05 0.00 -1.27 0.00 0.00 60.65 58.57 3dnf h LYS 80 Cb 0.34 0.30 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 3dnf h LYS 80 CO 0.02 1.40 0.41 1.49 -2.27 0.00 0.00 179.45 180.50 3dnf h GLU 81 N 0.17 0.76 -0.59 1.90 4.81 -1.10 -1.26 114.58 119.27 3dnf h GLU 81 Ca -0.22 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.87 3dnf h GLU 81 Cb 2.01 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 31.20 3dnf h GLU 81 CO 0.25 0.50 -0.01 1.49 -0.73 0.00 0.00 179.01 180.51 3dnf h GLU 82 N 0.78 1.04 -0.75 1.92 4.57 -1.15 -2.07 114.58 118.93 3dnf h GLU 82 Ca 0.30 -0.33 0.07 0.00 -1.18 0.00 0.00 59.36 58.22 3dnf h GLU 82 Cb 0.12 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.55 3dnf h GLU 82 CO -0.15 1.02 0.43 0.00 -1.18 0.00 0.00 179.01 179.13 3dnf h ALA 83 N 1.02 1.02 -0.31 2.92 0.00 -0.80 -0.48 119.26 122.64 3dnf h ALA 83 Ca 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3dnf h ALA 83 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3dnf h ALA 83 CO 0.03 0.10 0.15 -0.07 0.00 0.00 0.00 179.25 179.46 3dnf h LEU 84 N 0.76 0.41 -0.64 0.00 3.38 -0.89 -2.63 115.31 115.70 3dnf h LEU 84 Ca 0.34 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.24 3dnf h LEU 84 Cb 0.24 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3dnf h LEU 84 CO -0.20 0.42 0.36 0.03 0.09 0.00 0.00 178.44 179.13 3dnf h ARG 85 N 0.37 0.65 0.00 1.13 3.08 -0.98 -2.48 114.38 116.15 3dnf h ARG 85 Ca 0.11 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3dnf h ARG 85 Cb 0.12 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3dnf h ARG 85 CO -0.01 0.43 -0.04 0.87 -1.07 0.00 0.00 179.97 180.15 3dnf h LYS 86 N 0.67 0.00 -0.00 0.04 1.57 -0.93 -0.94 116.57 116.98 3dnf h LYS 86 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3dnf h LYS 86 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3dnf h LYS 86 CO -0.17 0.04 -0.02 1.17 -0.57 0.00 0.00 179.45 179.91 3dnf n LYS 87 N -3.23 0.96 -1.49 3.15 4.81 -0.94 -4.88 118.16 116.54 3dnf n LYS 87 Ca -0.01 -0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 3dnf n LYS 87 Cb 0.22 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.78 3dnf n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dnf n GLY 88 N 1.11 0.63 3.86 3.14 0.00 -0.36 -4.08 105.19 109.50 3dnf n GLY 88 Ca 0.20 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 3dnf n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dnf s LEU 89 N 0.00 4.35 -0.37 0.99 1.43 -1.18 -0.72 118.68 123.17 3dnf s LEU 89 Ca 0.00 0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 53.69 3dnf s LEU 89 Cb 0.00 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.17 3dnf s LEU 89 CO 0.00 0.15 1.27 -0.75 0.23 0.00 0.00 176.35 177.25 3dnf s LYS 90 N -1.92 3.79 -0.31 1.70 2.20 -0.05 -4.60 119.74 120.55 3dnf s LYS 90 Ca 0.34 0.99 -0.10 0.00 -0.36 0.00 0.00 55.97 56.84 3dnf s LYS 90 Cb -0.14 -3.91 -0.02 0.00 -1.51 0.00 0.00 37.83 32.25 3dnf s LYS 90 CO 0.18 -1.28 0.17 0.08 -0.36 0.00 0.00 175.35 174.14 3dnf s VAL 91 N 4.62 4.84 -0.29 4.02 1.01 -1.26 -0.41 120.40 132.93 3dnf s VAL 91 Ca 0.55 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 3dnf s VAL 91 Cb -0.13 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3dnf s VAL 91 CO 0.27 0.09 0.21 -0.63 0.00 0.00 0.00 175.10 175.03 3dnf s ILE 92 N 1.66 5.30 -0.53 2.22 -1.09 0.02 -4.98 121.20 123.80 3dnf s ILE 92 Ca 0.05 0.11 -0.20 0.00 -2.23 0.00 0.00 60.65 58.38 3dnf s ILE 92 Cb -0.17 -3.57 0.06 0.00 -1.58 0.00 0.00 42.46 37.20 3dnf s ILE 92 CO 0.08 0.20 0.70 -0.62 -1.23 0.00 0.00 174.94 174.07 3dnf s ASP 93 N 1.75 6.24 -0.17 3.58 2.15 -1.26 -0.81 116.67 128.15 3dnf s ASP 93 Ca 0.07 -0.85 0.16 0.00 0.43 0.00 0.00 52.55 52.36 3dnf s ASP 93 Cb -0.16 -2.32 0.61 0.00 -0.30 0.00 0.00 42.92 40.75 3dnf s ASP 93 CO 0.11 -1.00 1.52 0.00 -0.17 0.00 0.00 175.17 175.64 3dnf n ALA 94 N 6.49 3.17 -1.59 3.66 0.00 -0.95 -4.95 120.51 126.35 3dnf n ALA 94 Ca -0.05 -2.02 -0.51 0.00 0.00 0.00 0.00 53.44 50.86 3dnf n ALA 94 Cb 0.46 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 3dnf n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3dnf n THR 95 N 0.08 0.21 -1.70 0.00 -1.04 -1.21 -3.55 114.28 107.07 3dnf n THR 95 Ca 0.23 -0.05 -0.43 0.00 -2.04 0.00 0.00 64.05 61.75 3dnf n THR 95 Cb 0.93 -0.84 -0.02 0.00 -1.82 0.00 0.00 70.33 68.58 3dnf n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dnf h PRO 97 N 4.43 0.18 0.00 0.00 0.11 -1.90 0.15 132.00 134.97 3dnf h PRO 97 Ca -0.46 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 3dnf h PRO 97 Cb 1.25 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3dnf h PRO 97 CO 0.77 0.12 -0.60 1.88 -0.21 0.00 0.00 178.00 179.96 3dnf h TYR 98 N 0.19 0.00 -0.09 0.65 0.05 -1.96 -1.29 116.97 114.52 3dnf h TYR 98 Ca 0.51 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 59.15 3dnf h TYR 98 Cb 1.66 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.40 3dnf h TYR 98 CO -0.00 0.60 -0.50 0.28 -1.05 0.00 0.00 178.16 177.50 3dnf h VAL 99 N 0.00 1.38 -0.70 -2.88 2.07 -1.38 -3.07 116.25 111.67 3dnf h VAL 99 Ca -0.01 -1.84 0.14 0.00 0.82 0.00 0.00 66.70 65.82 3dnf h VAL 99 Cb 1.29 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 33.25 3dnf h VAL 99 CO 0.08 0.55 0.47 0.11 0.02 0.00 0.00 177.57 178.80 3dnf h LYS 100 N 0.08 0.34 -0.25 1.57 1.79 -0.87 -0.84 116.57 118.39 3dnf h LYS 100 Ca -0.04 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.35 3dnf h LYS 100 Cb 1.15 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.70 3dnf h LYS 100 CO 0.10 0.23 -0.11 0.00 -1.08 0.00 0.00 179.45 178.59 3dnf h ALA 101 N 1.67 1.33 -0.32 3.86 0.00 -1.14 -0.84 119.26 123.82 3dnf h ALA 101 Ca 0.34 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3dnf h ALA 101 Cb 0.82 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3dnf h ALA 101 CO -0.09 0.45 0.08 0.28 0.00 0.00 0.00 179.25 179.96 3dnf h VAL 102 N 0.39 1.22 -0.64 0.00 2.07 -1.10 -0.78 116.25 117.41 3dnf h VAL 102 Ca 0.08 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 66.94 3dnf h VAL 102 Cb 0.44 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 3dnf h VAL 102 CO 0.02 0.25 0.28 0.45 0.02 0.00 0.00 177.57 178.59 3dnf h HIS 103 N 0.36 0.49 -0.63 1.57 -0.00 -0.98 -1.07 115.15 114.89 3dnf h HIS 103 Ca 0.10 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 3dnf h HIS 103 Cb 0.30 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.56 3dnf h HIS 103 CO 0.02 0.16 0.33 0.93 -0.00 0.00 0.00 177.93 179.37 3dnf h GLU 104 N 0.49 0.88 -0.50 2.45 5.08 -1.07 -2.92 114.58 118.98 3dnf h GLU 104 Ca 0.31 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 3dnf h GLU 104 Cb 0.35 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3dnf h GLU 104 CO -0.28 0.68 -0.16 0.00 -1.00 0.00 0.00 179.01 178.25 3dnf h ALA 105 N 1.16 0.69 -0.12 3.43 0.00 -0.54 -0.28 119.26 123.61 3dnf h ALA 105 Ca 0.22 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3dnf h ALA 105 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dnf h ALA 105 CO -0.03 0.64 -0.37 -0.39 0.00 0.00 0.00 179.25 179.10 3dnf h VAL 106 N 0.85 1.29 -0.18 0.00 -1.51 -1.18 -0.43 116.25 115.09 3dnf h VAL 106 Ca 0.12 -1.41 -0.22 0.00 -1.23 0.00 0.00 66.70 63.96 3dnf h VAL 106 Cb 0.73 1.61 0.01 0.00 -2.13 0.00 0.00 31.29 31.51 3dnf h VAL 106 CO 0.06 0.42 -0.74 0.00 -1.23 0.00 0.00 177.57 176.07 3dnf h GLN 108 N 0.57 0.10 -0.82 0.00 4.15 -0.86 -1.24 115.11 117.00 3dnf h GLN 108 Ca -0.04 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3dnf h GLN 108 Cb 1.37 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 29.00 3dnf h GLN 108 CO 0.16 0.06 0.52 -0.07 -1.93 0.00 0.00 178.83 177.57 3dnf h LEU 109 N 0.10 0.97 -0.11 -2.39 3.38 -1.04 -1.78 115.31 114.43 3dnf h LEU 109 Ca 0.09 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dnf h LEU 109 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3dnf h LEU 109 CO -0.12 0.72 0.06 0.74 0.09 0.00 0.00 178.44 179.92 3dnf h THR 110 N 1.13 1.11 -0.59 0.22 2.02 -0.99 -0.91 112.91 114.89 3dnf h THR 110 Ca 0.30 -0.31 0.13 0.00 0.77 0.00 0.00 66.41 67.29 3dnf h THR 110 Cb -0.09 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3dnf h THR 110 CO -0.06 0.10 0.41 0.03 0.37 0.00 0.00 175.52 176.36 3dnf h ARG 111 N 0.06 0.25 -0.01 6.66 3.08 -0.81 -0.53 114.38 123.08 3dnf h ARG 111 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3dnf h ARG 111 Cb 0.11 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3dnf h ARG 111 CO -0.01 0.17 -0.04 0.39 -1.07 0.00 0.00 179.97 179.42 3dnf n GLU 112 N -4.45 1.31 -0.38 0.04 1.02 -0.71 -4.92 120.64 112.56 3dnf n GLU 112 Ca 0.10 -0.60 0.00 0.00 -0.02 0.00 0.00 57.16 56.64 3dnf n GLU 112 Cb 0.48 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3dnf n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dnf n GLY 113 N 1.16 0.78 3.87 0.62 0.00 -0.21 -5.06 105.19 106.35 3dnf n GLY 113 Ca 0.19 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3dnf n GLY 113 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dnf s TYR 114 N -2.00 3.46 -0.05 1.61 2.02 -0.40 -4.89 117.35 117.10 3dnf s TYR 114 Ca 0.00 0.94 -0.27 0.00 -0.37 0.00 0.00 57.07 57.37 3dnf s TYR 114 Cb 0.00 -2.30 -0.03 0.00 -0.40 0.00 0.00 41.96 39.23 3dnf s TYR 114 CO 0.00 0.30 0.87 0.12 -1.57 0.00 0.00 175.55 175.26 3dnf s PHE 115 N -1.75 3.59 -0.12 2.71 5.36 -0.64 -4.43 117.98 122.70 3dnf s PHE 115 Ca 0.46 1.48 -0.14 0.00 -0.96 0.00 0.00 56.93 57.76 3dnf s PHE 115 Cb -0.12 -3.00 -0.05 0.00 -0.34 0.00 0.00 43.02 39.51 3dnf s PHE 115 CO 0.20 -0.02 0.32 0.08 -1.46 0.00 0.00 175.22 174.35 3dnf s VAL 116 N 1.16 5.26 -0.22 3.12 1.01 -0.00 -0.81 120.40 129.91 3dnf s VAL 116 Ca 0.45 0.63 -0.05 0.00 0.00 0.00 0.00 61.98 63.00 3dnf s VAL 116 Cb -0.19 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3dnf s VAL 116 CO 0.22 0.44 -0.00 -0.69 0.00 0.00 0.00 175.10 175.06 3dnf s VAL 117 N 0.06 3.76 -0.34 2.92 1.01 0.94 -1.01 120.40 127.74 3dnf s VAL 117 Ca 0.19 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 3dnf s VAL 117 Cb -0.14 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3dnf s VAL 117 CO 0.06 0.40 0.18 -0.22 0.00 0.00 0.00 175.10 175.53 3dnf s LEU 118 N 1.39 4.36 -0.39 3.92 0.20 0.04 -1.05 118.68 127.14 3dnf s LEU 118 Ca 0.05 -0.67 -0.26 0.00 0.69 0.00 0.00 54.13 53.94 3dnf s LEU 118 Cb -0.15 -2.02 0.02 0.00 -0.43 0.00 0.00 46.19 43.61 3dnf s LEU 118 CO -0.00 -0.26 0.93 -0.69 -0.29 0.00 0.00 176.35 176.03 3dnf s VAL 119 N 1.60 4.55 -0.79 1.68 1.01 -0.06 -0.81 120.40 127.58 3dnf s VAL 119 Ca 0.04 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.10 3dnf s VAL 119 Cb -0.18 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.84 3dnf s VAL 119 CO 0.07 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.16 3dnf n GLY 120 N 4.53 -1.31 3.59 4.51 0.00 -0.86 -0.41 105.19 115.25 3dnf n GLY 120 Ca 0.07 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3dnf n GLY 120 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dnf s GLU 121 N -0.96 3.78 0.23 1.61 2.12 -1.26 -3.72 118.70 120.50 3dnf s GLU 121 Ca 0.00 0.35 -0.11 0.00 0.36 0.00 0.00 54.97 55.57 3dnf s GLU 121 Cb 0.00 -3.80 0.32 0.00 0.26 0.00 0.00 34.13 30.92 3dnf s GLU 121 CO 0.00 -0.83 1.63 0.87 -0.54 0.00 0.00 175.26 176.39 3dnf h LYS 122 N 8.43 0.04 -0.15 4.30 1.57 -1.95 -1.23 116.57 127.59 3dnf h LYS 122 Ca -0.25 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3dnf h LYS 122 Cb 1.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3dnf h LYS 122 CO 0.91 0.03 0.00 0.09 -0.57 0.00 0.00 179.45 179.90 3dnf n ASN 123 N -5.41 1.24 -4.74 0.86 3.02 -1.26 -4.44 115.26 104.52 3dnf n ASN 123 Ca 0.10 -1.71 -0.41 0.00 -0.03 0.00 0.00 54.58 52.54 3dnf n ASN 123 Cb 0.39 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.42 3dnf n ASN 123 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3dnf s HIS 124 N -1.81 3.74 0.41 3.10 2.46 -0.46 -4.90 115.29 117.83 3dnf s HIS 124 Ca 0.28 1.74 0.16 0.00 0.47 0.00 0.00 55.06 57.71 3dnf s HIS 124 Cb 0.15 -3.16 1.04 0.00 -0.13 0.00 0.00 32.58 30.48 3dnf s HIS 124 CO 0.22 -0.15 1.88 -1.35 -2.47 0.00 0.00 174.74 172.87 3dnf h PRO 125 N 4.68 0.43 -0.56 2.88 0.11 -1.90 -1.28 132.00 136.35 3dnf h PRO 125 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3dnf h PRO 125 Cb 1.21 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3dnf h PRO 125 CO 0.70 0.29 0.28 1.49 -0.21 0.00 0.00 178.00 180.54 3dnf h GLU 126 N 0.44 0.81 -0.23 1.05 4.81 -1.85 -1.02 114.58 118.60 3dnf h GLU 126 Ca 0.43 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.51 3dnf h GLU 126 Cb 1.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 3dnf h GLU 126 CO -0.16 0.66 0.00 0.28 -0.73 0.00 0.00 179.01 179.06 3dnf h VAL 127 N 0.76 1.25 -0.68 0.32 2.07 -1.55 -1.61 116.25 116.82 3dnf h VAL 127 Ca 0.19 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.88 3dnf h VAL 127 Cb 0.11 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3dnf h VAL 127 CO -0.03 0.28 0.39 0.40 0.02 0.00 0.00 177.57 178.63 3dnf h ILE 128 N 0.18 0.98 -0.29 4.57 2.04 -1.19 -0.78 117.51 123.03 3dnf h ILE 128 Ca 0.07 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3dnf h ILE 128 Cb 0.41 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3dnf h ILE 128 CO 0.01 0.13 0.12 1.23 0.00 0.00 0.00 178.15 179.64 3dnf h GLY 129 N 0.71 0.45 1.00 5.37 0.00 -0.89 -2.21 103.07 107.50 3dnf h GLY 129 Ca 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 3dnf h GLY 129 CO -0.18 0.23 0.37 -0.84 0.00 0.00 0.00 176.54 176.12 3dnf h THR 130 N 0.32 1.20 -0.80 4.70 2.02 -0.95 -0.59 112.91 118.80 3dnf h THR 130 Ca 0.10 -0.46 0.12 0.00 0.77 0.00 0.00 66.41 66.93 3dnf h THR 130 Cb 0.16 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 66.85 3dnf h THR 130 CO -0.01 0.21 0.53 -0.07 0.37 0.00 0.00 175.52 176.54 3dnf h LEU 131 N 0.88 0.59 -0.89 2.58 3.38 -1.03 -0.75 115.31 120.06 3dnf h LEU 131 Ca 0.23 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 3dnf h LEU 131 Cb 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3dnf h LEU 131 CO -0.04 0.33 0.06 1.23 0.09 0.00 0.00 178.44 180.11 3dnf h GLY 132 N 0.64 0.95 1.09 0.83 0.00 -0.49 -0.11 103.07 105.99 3dnf h GLY 132 Ca 0.39 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 3dnf h GLY 132 CO -0.15 0.57 -0.13 -0.97 0.00 0.00 0.00 176.54 175.85 3dnf h TYR 133 N 0.83 1.14 -0.50 5.60 -1.99 -0.58 -0.85 116.97 120.63 3dnf h TYR 133 Ca 0.17 -0.25 -0.02 0.00 2.00 0.00 0.00 58.73 60.63 3dnf h TYR 133 Cb 0.41 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 3dnf h TYR 133 CO 0.02 1.07 0.23 1.25 -0.00 0.00 0.00 178.16 180.74 3dnf h LEU 134 N 0.88 0.65 -0.64 3.88 5.85 -0.88 -1.71 115.31 123.34 3dnf h LEU 134 Ca 0.13 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3dnf h LEU 134 Cb 0.71 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3dnf h LEU 134 CO 0.05 0.60 0.18 -0.09 -0.34 0.00 0.00 178.44 178.85 3dnf h ARG 135 N 0.66 1.01 -0.33 1.25 2.43 -0.94 0.24 114.38 118.69 3dnf h ARG 135 Ca 0.17 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3dnf h ARG 135 Cb 0.13 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3dnf h ARG 135 CO -0.02 0.90 0.12 0.00 -1.51 0.00 0.00 179.97 179.46 3dnf h ALA 136 N 1.06 1.61 -0.28 2.80 0.00 -0.68 -1.65 119.26 122.12 3dnf h ALA 136 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dnf h ALA 136 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dnf h ALA 136 CO -0.00 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3dnf n ASN 138 N 0.39 -5.65 -4.92 0.00 3.02 -0.62 -4.90 115.26 102.58 3dnf n ASN 138 Ca 0.12 -0.01 -0.26 0.00 -0.03 0.00 0.00 54.58 54.39 3dnf n ASN 138 Cb 0.28 -4.68 0.03 0.00 -0.61 0.00 0.00 39.78 34.79 3dnf n ASN 138 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3dnf s GLY 139 N -2.12 1.60 -0.01 7.41 0.00 0.06 -5.03 107.32 109.23 3dnf s GLY 139 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.05 3dnf s GLY 139 CO 0.00 -0.46 -0.17 0.54 0.00 0.00 0.00 173.10 173.01 3dnf s LYS 140 N -4.93 1.36 0.00 2.90 1.02 -1.26 -4.50 119.74 114.33 3dnf s LYS 140 Ca 0.53 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.89 3dnf s LYS 140 Cb -0.10 -1.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.88 3dnf s LYS 140 CO 0.44 0.36 0.00 0.41 -0.92 0.00 0.00 175.35 175.64 3dnf n GLY 141 N 2.59 -0.77 3.25 -3.33 0.00 -1.26 -0.82 105.19 104.86 3dnf n GLY 141 Ca -0.15 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 3dnf n GLY 141 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dnf s ILE 142 N -2.00 0.56 -0.13 -0.61 -4.36 -0.18 -4.95 121.20 109.53 3dnf s ILE 142 Ca 0.00 -1.98 -0.14 0.00 -0.26 0.00 0.00 60.65 58.27 3dnf s ILE 142 Cb 0.00 -2.29 -0.05 0.00 1.25 0.00 0.00 42.46 41.37 3dnf s ILE 142 CO 0.00 -0.31 0.33 -0.69 0.24 0.00 0.00 174.94 174.51 3dnf s VAL 143 N -3.74 5.26 -0.34 8.37 1.01 -1.26 -0.78 120.40 128.91 3dnf s VAL 143 Ca 0.29 0.64 -0.06 0.00 0.00 0.00 0.00 61.98 62.84 3dnf s VAL 143 Cb 0.07 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.82 3dnf s VAL 143 CO 0.07 0.42 0.10 -0.69 0.00 0.00 0.00 175.10 175.00 3dnf s VAL 144 N 0.17 3.78 -0.14 2.92 1.01 0.01 -4.92 120.40 123.22 3dnf s VAL 144 Ca 0.19 -1.11 0.11 0.00 0.00 0.00 0.00 61.98 61.17 3dnf s VAL 144 Cb -0.14 -3.13 -0.17 0.00 0.00 0.00 0.00 36.38 32.95 3dnf s VAL 144 CO 0.06 -0.16 0.03 1.21 0.00 0.00 0.00 175.10 176.24 3dnf n GLU 145 N 4.81 1.57 -4.28 2.72 2.13 -1.24 -2.02 120.64 124.33 3dnf n GLU 145 Ca -0.13 0.01 -0.15 0.00 0.66 0.00 0.00 57.16 57.55 3dnf n GLU 145 Cb 0.45 -1.36 -0.10 0.00 0.27 0.00 0.00 31.44 30.70 3dnf n GLU 145 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3dnf s THR 146 N -2.34 0.76 0.48 6.31 -4.23 -1.26 -4.93 115.64 110.43 3dnf s THR 146 Ca -0.09 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.62 3dnf s THR 146 Cb 0.04 -2.26 0.25 0.00 1.34 0.00 0.00 72.50 71.87 3dnf s THR 146 CO 0.56 -0.36 2.09 0.25 -0.54 0.00 0.00 174.62 176.62 3dnf h LEU 147 N 2.58 0.00 -2.10 4.79 5.85 -1.99 -0.61 115.31 123.82 3dnf h LEU 147 Ca -0.37 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 3dnf h LEU 147 Cb 1.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 3dnf h LEU 147 CO 0.63 0.10 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.46 3dnf h GLU 148 N 0.00 0.00 0.00 1.25 5.08 -2.02 -2.58 114.58 116.31 3dnf h GLU 148 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dnf h GLU 148 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3dnf h GLU 148 CO 0.01 0.04 0.00 -0.44 -1.00 0.00 0.00 179.01 177.62 3dnf h ASP 149 N 0.00 0.00 1.08 1.42 3.32 -1.47 -3.28 116.42 117.49 3dnf h ASP 149 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dnf h ASP 149 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3dnf h ASP 149 CO 0.00 0.00 0.00 0.16 -1.72 0.00 0.00 179.24 177.68 3dnf h ILE 150 N 0.00 0.00 -0.86 0.35 3.07 -1.63 -3.36 117.51 115.08 3dnf h ILE 150 Ca 0.00 -0.46 0.15 0.00 1.55 0.00 0.00 64.86 66.10 3dnf h ILE 150 Cb 0.35 1.35 -0.15 0.00 -0.27 0.00 0.00 36.82 38.11 3dnf h ILE 150 CO 0.00 0.00 -0.30 0.61 -1.05 0.00 0.00 178.15 177.41 3dnf n GLY 151 N 0.31 -1.68 0.29 0.16 0.00 -1.24 -1.20 105.19 101.82 3dnf n GLY 151 Ca 0.02 0.96 -0.04 0.00 0.00 0.00 0.00 46.02 46.95 3dnf n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dnf h GLU 152 N 0.00 0.81 0.00 1.61 4.57 -1.90 -2.35 114.58 117.31 3dnf h GLU 152 Ca 0.33 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 58.26 3dnf h GLU 152 Cb 0.55 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 3dnf h GLU 152 CO -0.87 0.80 -0.23 0.00 -1.18 0.00 0.00 179.01 177.53 3dnf h ALA 153 N 1.26 1.59 0.00 2.92 0.00 -1.42 -2.64 119.26 120.97 3dnf h ALA 153 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dnf h ALA 153 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3dnf h ALA 153 CO 0.02 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.83 3dnf n LEU 154 N -4.22 0.15 0.08 0.00 4.77 -0.89 -1.77 117.00 115.12 3dnf n LEU 154 Ca -0.02 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 3dnf n LEU 154 Cb 0.29 -0.52 0.46 0.00 -2.33 0.00 0.00 43.42 41.31 3dnf n LEU 154 CO 0.37 -0.35 0.89 0.29 -1.33 0.00 0.00 177.39 177.25 3dnf n LYS 155 N -1.67 0.17 -4.11 3.23 5.02 -1.00 -4.85 118.16 114.95 3dnf n LYS 155 Ca 0.03 0.21 -0.26 0.00 -2.02 0.00 0.00 58.31 56.27 3dnf n LYS 155 Cb 0.17 -1.73 -0.06 0.00 -0.02 0.00 0.00 35.03 33.39 3dnf n LYS 155 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3dnf s HIS 156 N -3.11 3.08 -0.07 2.13 3.76 -0.73 -5.03 115.29 115.33 3dnf s HIS 156 Ca 0.10 -0.05 0.14 0.00 -0.15 0.00 0.00 55.06 55.10 3dnf s HIS 156 Cb 0.13 -1.47 -0.18 0.00 1.11 0.00 0.00 32.58 32.17 3dnf s HIS 156 CO 0.52 0.52 0.78 0.93 -0.85 0.00 0.00 174.74 176.64 3dnf h GLU 157 N 2.34 0.00 -4.48 1.40 5.08 -1.89 -3.43 114.58 113.60 3dnf h GLU 157 Ca -0.48 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.28 3dnf h GLU 157 Cb 1.21 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.09 3dnf h GLU 157 CO 0.62 0.44 -0.81 1.03 -1.00 0.00 0.00 179.01 179.29 3dnf s ARG 158 N -2.74 1.90 -0.12 2.33 0.52 -1.26 -1.77 118.95 117.81 3dnf s ARG 158 Ca -0.03 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 54.45 3dnf s ARG 158 Cb 0.08 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.24 3dnf s ARG 158 CO 0.82 -0.42 -0.22 0.08 0.02 0.00 0.00 175.30 175.57 3dnf s VAL 159 N 1.45 2.13 -0.15 3.52 1.01 -0.46 -1.62 120.40 126.29 3dnf s VAL 159 Ca -0.01 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 3dnf s VAL 159 Cb -0.16 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3dnf s VAL 159 CO -0.08 0.55 0.07 -0.83 0.00 0.00 0.00 175.10 174.81 3dnf s GLY 160 N 0.58 1.96 -0.12 4.51 0.00 0.01 -0.95 107.32 113.31 3dnf s GLY 160 Ca -0.13 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 43.90 3dnf s GLY 160 CO 0.03 -0.16 -0.21 -0.42 0.00 0.00 0.00 173.10 172.34 3dnf s ILE 161 N -0.20 1.95 0.40 0.90 1.01 0.10 -0.04 121.20 125.32 3dnf s ILE 161 Ca 0.08 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.84 3dnf s ILE 161 Cb -0.12 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 3dnf s ILE 161 CO 0.01 0.53 0.06 0.68 0.00 0.00 0.00 174.94 176.23 3dnf s VAL 162 N 0.69 1.13 0.03 2.92 -7.23 -0.21 -1.08 120.40 116.64 3dnf s VAL 162 Ca -0.11 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.11 3dnf s VAL 162 Cb -0.16 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 3dnf s VAL 162 CO 0.02 0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 174.65 3dnf s ALA 163 N -3.11 1.28 0.33 1.32 0.00 -1.26 -0.88 121.76 119.44 3dnf s ALA 163 Ca 0.27 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 3dnf s ALA 163 Cb 0.06 -0.24 -0.12 0.00 0.00 0.00 0.00 23.12 22.81 3dnf s ALA 163 CO 0.13 0.27 1.38 0.94 0.00 0.00 0.00 175.76 178.49 3dnf n GLN 164 N 2.13 2.30 -0.20 0.00 7.27 0.45 -4.60 117.38 124.73 3dnf n GLN 164 Ca -0.17 0.81 0.15 0.00 0.07 0.00 0.00 57.00 57.86 3dnf n GLN 164 Cb 0.55 -2.45 0.47 0.00 2.41 0.00 0.00 30.24 31.21 3dnf n GLN 164 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 3dnf h THR 165 N 2.80 0.79 -0.52 1.69 1.35 -1.90 -0.75 112.91 116.36 3dnf h THR 165 Ca -0.47 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3dnf h THR 165 Cb 1.27 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3dnf h THR 165 CO 0.67 0.09 0.00 0.35 -0.25 0.00 0.00 175.52 176.38 3dnf n THR 166 N -4.51 0.70 -1.77 6.82 -2.24 -1.26 -0.65 114.28 111.37 3dnf n THR 166 Ca 0.16 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 3dnf n THR 166 Cb 0.53 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 3dnf n THR 166 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3dnf s GLN 167 N -1.30 4.12 0.39 -0.78 2.00 -0.29 -4.95 119.66 118.84 3dnf s GLN 167 Ca 0.36 2.58 -0.26 0.00 -2.00 0.00 0.00 55.36 56.04 3dnf s GLN 167 Cb 0.19 -3.03 -0.09 0.00 0.80 0.00 0.00 33.01 30.87 3dnf s GLN 167 CO 0.25 -0.66 1.26 0.54 -0.50 0.00 0.00 175.29 176.18 3dnf s ASN 168 N 0.63 6.48 0.22 6.67 2.20 -1.26 -4.93 114.94 124.95 3dnf s ASN 168 Ca 0.65 2.57 -0.03 0.00 -0.94 0.00 0.00 52.86 55.12 3dnf s ASN 168 Cb -0.48 -2.63 0.21 0.00 -2.00 0.00 0.00 41.25 36.34 3dnf s ASN 168 CO 0.45 -0.73 1.62 -0.33 -2.94 0.00 0.00 177.10 175.17 3dnf h GLU 169 N 2.83 0.67 -0.51 3.55 5.08 -1.99 -2.83 114.58 121.39 3dnf h GLU 169 Ca -0.49 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 57.60 3dnf h GLU 169 Cb 1.24 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 3dnf h GLU 169 CO 0.63 0.89 0.28 0.93 -1.00 0.00 0.00 179.01 180.75 3dnf h GLU 170 N 0.57 0.54 -0.22 2.33 5.08 -2.00 0.27 114.58 121.15 3dnf h GLU 170 Ca 0.07 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 3dnf h GLU 170 Cb 0.81 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3dnf h GLU 170 CO 0.07 0.36 -0.52 0.35 -1.00 0.00 0.00 179.01 178.26 3dnf h PHE 171 N 0.55 0.78 -0.61 4.33 3.57 -1.96 -2.67 116.94 120.93 3dnf h PHE 171 Ca 0.21 -0.27 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 3dnf h PHE 171 Cb 0.07 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3dnf h PHE 171 CO -0.08 1.01 0.32 0.35 -2.23 0.00 0.00 178.31 177.68 3dnf h PHE 172 N 0.49 0.84 -0.77 0.41 3.57 -1.23 -0.51 116.94 119.74 3dnf h PHE 172 Ca 0.02 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.50 3dnf h PHE 172 Cb 1.07 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 3dnf h PHE 172 CO 0.05 0.62 0.51 -0.22 -2.23 0.00 0.00 178.31 177.04 3dnf h LYS 173 N 0.82 1.02 -0.15 1.11 3.64 -0.90 -1.25 116.57 120.87 3dnf h LYS 173 Ca 0.21 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3dnf h LYS 173 Cb 0.07 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3dnf h LYS 173 CO -0.03 0.68 0.05 1.49 -2.27 0.00 0.00 179.45 179.36 3dnf h GLU 174 N 1.05 0.23 -0.16 1.90 4.57 -1.09 -2.03 114.58 119.05 3dnf h GLU 174 Ca 0.28 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 3dnf h GLU 174 Cb -0.12 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 3dnf h GLU 174 CO -0.06 0.36 0.09 0.28 -1.18 0.00 0.00 179.01 178.50 3dnf h VAL 175 N 0.06 1.08 -0.21 0.32 2.07 -0.89 -0.49 116.25 118.18 3dnf h VAL 175 Ca 0.05 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3dnf h VAL 175 Cb 0.22 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3dnf h VAL 175 CO -0.00 0.08 0.08 0.58 0.02 0.00 0.00 177.57 178.32 3dnf h VAL 176 N 0.18 0.96 -0.51 2.57 2.07 -1.24 -0.72 116.25 119.55 3dnf h VAL 176 Ca 0.06 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3dnf h VAL 176 Cb 0.04 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3dnf h VAL 176 CO -0.01 0.03 0.15 1.23 0.02 0.00 0.00 177.57 178.99 3dnf h GLY 177 N 0.18 0.87 0.73 2.17 0.00 -1.28 -2.06 103.07 103.68 3dnf h GLY 177 Ca 0.09 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3dnf h GLY 177 CO -0.09 0.49 -0.06 -2.09 0.00 0.00 0.00 176.54 174.79 3dnf h GLU 178 N 0.71 -0.16 -0.87 4.80 4.57 -0.93 -2.83 114.58 119.88 3dnf h GLU 178 Ca 0.16 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.43 3dnf h GLU 178 Cb 0.30 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.85 3dnf h GLU 178 CO -0.00 0.12 0.53 0.82 -1.18 0.00 0.00 179.01 179.30 3dnf h ILE 179 N -0.44 0.99 -0.28 2.32 2.04 -1.11 -1.70 117.51 119.33 3dnf h ILE 179 Ca -0.02 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.61 3dnf h ILE 179 Cb 0.35 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3dnf h ILE 179 CO 0.03 0.17 0.20 0.00 0.00 0.00 0.00 178.15 178.55 3dnf h ALA 180 N 1.44 2.26 0.00 1.87 0.00 -1.23 -0.61 119.26 122.99 3dnf h ALA 180 Ca 0.40 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 3dnf h ALA 180 Cb 0.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3dnf h ALA 180 CO -0.21 -0.34 -0.37 -0.07 0.00 0.00 0.00 179.25 178.26 3dnf h LEU 181 N 0.00 0.00 0.00 0.00 3.38 -1.06 -3.35 115.31 114.28 3dnf h LEU 181 Ca 0.13 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3dnf h LEU 181 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3dnf h LEU 181 CO -0.00 0.37 -1.88 0.79 0.09 0.00 0.00 178.44 177.81 3dnf n TRP 182 N -3.41 0.00 -4.41 1.13 7.02 -0.34 -5.02 117.44 112.41 3dnf n TRP 182 Ca 0.00 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.24 3dnf n TRP 182 Cb 0.55 -0.50 -0.10 0.00 -2.42 0.00 0.00 31.31 28.84 3dnf n TRP 182 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 3dnf s VAL 183 N -3.00 2.68 0.17 -0.99 -7.23 -0.58 -5.04 120.40 106.41 3dnf s VAL 183 Ca -0.07 -2.16 -0.09 0.00 -1.81 0.00 0.00 61.98 57.85 3dnf s VAL 183 Cb 0.10 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.68 3dnf s VAL 183 CO 0.71 -0.30 1.58 0.50 -0.31 0.00 0.00 175.10 177.28 3dnf h LYS 184 N 2.51 0.98 -3.23 4.82 3.64 -1.76 -3.44 116.57 120.09 3dnf h LYS 184 Ca -0.43 -0.40 -0.29 0.00 -1.27 0.00 0.00 60.65 58.26 3dnf h LYS 184 Cb 1.24 -0.04 -0.35 0.00 -0.41 0.00 0.00 32.23 32.67 3dnf h LYS 184 CO 0.56 1.07 -0.66 -1.21 -2.27 0.00 0.00 179.45 176.95 3dnf s GLU 185 N -4.72 0.02 -0.06 1.90 2.02 -0.73 -5.05 118.70 112.09 3dnf s GLU 185 Ca -0.11 0.43 0.04 0.00 0.02 0.00 0.00 54.97 55.35 3dnf s GLU 185 Cb 0.13 -0.28 -0.00 0.00 0.10 0.00 0.00 34.13 34.07 3dnf s GLU 185 CO 0.86 -0.25 -0.18 0.08 0.02 0.00 0.00 175.26 175.79 3dnf s VAL 186 N 1.79 1.51 -0.11 2.63 1.01 -1.26 -1.36 120.40 124.62 3dnf s VAL 186 Ca -0.02 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3dnf s VAL 186 Cb -0.12 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 3dnf s VAL 186 CO -0.05 0.43 -0.22 -0.75 0.00 0.00 0.00 175.10 174.52 3dnf s LYS 187 N 0.18 3.12 -0.14 2.72 2.20 -0.13 -4.98 119.74 122.70 3dnf s LYS 187 Ca -0.08 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 3dnf s LYS 187 Cb -0.13 -2.37 -0.01 0.00 -1.51 0.00 0.00 37.83 33.81 3dnf s LYS 187 CO 0.03 0.19 -0.15 0.08 -0.36 0.00 0.00 175.35 175.14 3dnf s VAL 188 N 0.33 2.71 -0.34 4.02 1.01 -1.26 0.02 120.40 126.89 3dnf s VAL 188 Ca -0.17 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 3dnf s VAL 188 Cb -0.17 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.13 3dnf s VAL 188 CO 0.08 0.52 0.08 -0.63 0.00 0.00 0.00 175.10 175.16 3dnf s ILE 189 N 0.65 3.43 -0.67 2.22 1.01 -0.24 -4.95 121.20 122.64 3dnf s ILE 189 Ca -0.08 -1.36 -0.27 0.00 0.00 0.00 0.00 60.65 58.94 3dnf s ILE 189 Cb -0.16 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.31 3dnf s ILE 189 CO 0.02 -0.23 1.45 0.21 0.00 0.00 0.00 174.94 176.40 3dnf s ASN 190 N 1.44 5.93 -0.12 3.58 3.84 -1.26 -4.30 114.94 124.04 3dnf s ASN 190 Ca -0.02 -0.10 0.18 0.00 0.21 0.00 0.00 52.86 53.13 3dnf s ASN 190 Cb -0.20 -2.55 0.70 0.00 -0.55 0.00 0.00 41.25 38.65 3dnf s ASN 190 CO 0.00 -1.95 1.61 0.35 -2.79 0.00 0.00 177.10 174.33 3dnf n THR 191 N 6.69 1.90 -1.97 -5.21 -2.24 -1.26 -4.96 114.28 107.23 3dnf n THR 191 Ca 0.09 -1.26 -0.42 0.00 -2.27 0.00 0.00 64.05 60.20 3dnf n THR 191 Cb 0.50 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 3dnf n THR 191 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3dnf s ILE 192 N -1.94 2.80 0.10 2.28 1.01 -1.26 -4.30 121.20 119.87 3dnf s ILE 192 Ca 0.50 0.54 -0.25 0.00 0.00 0.00 0.00 60.65 61.44 3dnf s ILE 192 Cb 0.33 -3.34 -0.07 0.00 0.01 0.00 0.00 42.46 39.39 3dnf s ILE 192 CO 0.23 0.04 0.75 0.00 0.00 0.00 0.00 174.94 175.95 3dnf n ASN 194 N 2.17 0.34 -0.33 0.00 0.23 -1.26 -4.32 115.26 112.09 3dnf n ASN 194 Ca -0.05 -1.23 0.08 0.00 -0.53 0.00 0.00 54.58 52.85 3dnf n ASN 194 Cb 0.50 -0.01 0.24 0.00 -2.08 0.00 0.00 39.78 38.43 3dnf n ASN 194 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dnf h ALA 195 N 3.95 1.42 -0.28 -2.53 0.00 -1.94 -0.10 119.26 119.78 3dnf h ALA 195 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3dnf h ALA 195 Cb 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dnf h ALA 195 CO 0.00 0.03 -0.34 1.15 0.00 0.00 0.00 179.25 180.09 3dnf h THR 196 N 0.78 1.30 -0.13 0.00 2.02 -1.97 -2.46 112.91 112.46 3dnf h THR 196 Ca 0.49 -1.53 0.01 0.00 0.77 0.00 0.00 66.41 66.15 3dnf h THR 196 Cb 0.63 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 3dnf h THR 196 CO -0.32 0.49 0.07 -1.28 0.37 0.00 0.00 175.52 174.84 3dnf h SER 197 N 0.46 0.10 -0.11 4.18 0.87 -1.65 -1.72 113.55 115.69 3dnf h SER 197 Ca 0.04 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 3dnf h SER 197 Cb 0.93 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.84 3dnf h SER 197 CO 0.08 0.08 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.32 3dnf h LEU 198 N 0.14 -0.23 -0.58 2.23 3.38 -1.05 0.20 115.31 119.40 3dnf h LEU 198 Ca 0.05 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.16 3dnf h LEU 198 Cb 0.00 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 3dnf h LEU 198 CO -0.03 -0.10 0.21 -0.09 0.09 0.00 0.00 178.44 178.52 3dnf h ARG 199 N -0.07 0.38 -0.35 1.13 2.43 -1.34 -0.93 114.38 115.62 3dnf h ARG 199 Ca 0.07 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 3dnf h ARG 199 Cb 0.17 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3dnf h ARG 199 CO -0.15 0.25 -0.09 1.96 -1.51 0.00 0.00 179.97 180.43 3dnf h GLN 200 N 0.39 0.68 -0.08 0.20 4.20 -0.91 -2.77 115.11 116.82 3dnf h GLN 200 Ca 0.29 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3dnf h GLN 200 Cb 0.35 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3dnf h GLN 200 CO -0.29 0.84 -0.42 0.93 -0.67 0.00 0.00 178.83 179.23 3dnf h GLU 201 N 0.47 0.17 -0.45 1.46 4.39 -0.69 -0.30 114.58 119.63 3dnf h GLU 201 Ca 0.09 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 3dnf h GLU 201 Cb 0.59 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3dnf h GLU 201 CO 0.04 0.57 -0.06 1.03 -1.16 0.00 0.00 179.01 179.42 3dnf h SER 202 N 0.15 0.75 -0.36 1.42 0.87 -1.17 -1.35 113.55 113.86 3dnf h SER 202 Ca 0.01 -0.20 -0.11 0.00 -1.23 0.00 0.00 61.79 60.26 3dnf h SER 202 Cb 0.80 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3dnf h SER 202 CO 0.06 0.86 -0.20 0.58 -0.53 0.00 0.00 176.83 177.60 3dnf h VAL 203 N 0.71 1.29 -0.69 2.23 2.07 -1.17 -2.06 116.25 118.62 3dnf h VAL 203 Ca 0.13 -1.34 0.10 0.00 0.82 0.00 0.00 66.70 66.41 3dnf h VAL 203 Cb 0.52 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 3dnf h VAL 203 CO 0.03 0.44 0.31 0.11 0.02 0.00 0.00 177.57 178.48 3dnf h LYS 204 N 0.56 0.50 -0.06 1.57 1.57 -0.83 0.13 116.57 120.01 3dnf h LYS 204 Ca 0.08 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 3dnf h LYS 204 Cb 0.76 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3dnf h LYS 204 CO 0.06 0.33 -0.83 0.87 -0.57 0.00 0.00 179.45 179.31 3dnf h LYS 205 N 0.51 0.51 0.15 3.15 1.57 -1.23 -3.34 116.57 117.89 3dnf h LYS 205 Ca 0.35 -0.46 -0.30 0.00 -1.87 0.00 0.00 60.65 58.37 3dnf h LYS 205 Cb 0.43 0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.88 3dnf h LYS 205 CO -0.31 1.10 -1.28 1.25 -0.57 0.00 0.00 179.45 179.64 3dnf h LEU 206 N 0.33 0.75 -0.79 2.94 5.85 -1.04 -3.39 115.31 119.96 3dnf h LEU 206 Ca -0.06 -0.73 0.11 0.00 0.84 0.00 0.00 57.88 58.04 3dnf h LEU 206 Cb 1.44 -0.24 -0.13 0.00 0.37 0.00 0.00 40.66 42.11 3dnf h LEU 206 CO 0.15 1.55 -0.44 0.00 -0.34 0.00 0.00 178.44 179.36 3dnf h ALA 207 N 0.35 -0.20 0.00 1.25 0.00 -0.87 -0.41 119.26 119.38 3dnf h ALA 207 Ca -0.19 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dnf h ALA 207 Cb 1.97 1.05 0.00 0.00 0.00 0.00 0.00 17.79 20.80 3dnf h ALA 207 CO 0.24 -0.78 0.00 -2.30 0.00 0.00 0.00 179.25 176.40 3dnf n PRO 208 N -5.40 0.26 -0.25 0.00 -0.02 -1.26 -3.51 135.00 124.82 3dnf n PRO 208 Ca 0.05 0.03 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 3dnf n PRO 208 Cb 0.35 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.60 3dnf n PRO 208 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3dnf n GLU 209 N -1.36 2.44 -4.12 -0.52 2.13 -0.17 -4.91 120.64 114.12 3dnf n GLU 209 Ca 0.11 -2.20 -0.08 0.00 0.66 0.00 0.00 57.16 55.64 3dnf n GLU 209 Cb 0.25 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.36 3dnf n GLU 209 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3dnf s VAL 210 N -1.35 0.17 -0.05 6.31 -7.23 -1.19 -4.97 120.40 112.08 3dnf s VAL 210 Ca 0.40 -1.87 -0.24 0.00 -1.81 0.00 0.00 61.98 58.47 3dnf s VAL 210 Cb 0.22 -1.80 -0.25 0.00 0.56 0.00 0.00 36.38 35.11 3dnf s VAL 210 CO 0.30 -0.71 0.99 0.44 -0.31 0.00 0.00 175.10 175.81 3dnf h ASP 211 N 3.00 0.29 -4.27 4.85 3.32 -1.35 -3.46 116.42 118.79 3dnf h ASP 211 Ca -0.35 -0.83 -0.53 0.00 0.02 0.00 0.00 57.03 55.35 3dnf h ASP 211 Cb 1.17 -0.09 -0.29 0.00 0.22 0.00 0.00 39.33 40.34 3dnf h ASP 211 CO 0.62 1.08 -0.83 0.54 -1.72 0.00 0.00 179.24 178.94 3dnf s VAL 212 N -2.93 1.31 -0.18 -1.35 0.11 -1.21 -4.65 120.40 111.50 3dnf s VAL 212 Ca -0.15 -0.70 -0.04 0.00 -2.93 0.00 0.00 61.98 58.15 3dnf s VAL 212 Cb 0.01 -1.09 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 3dnf s VAL 212 CO 0.76 0.37 -0.02 -0.04 -3.33 0.00 0.00 175.10 172.85 3dnf s MET 213 N -0.37 3.66 -0.21 1.54 -1.94 -0.31 -0.69 119.30 120.99 3dnf s MET 213 Ca 0.06 -0.51 -0.05 0.00 -1.71 0.00 0.00 55.69 53.48 3dnf s MET 213 Cb -0.07 -3.01 -0.02 0.00 2.01 0.00 0.00 34.83 33.75 3dnf s MET 213 CO -0.01 0.14 -0.01 0.42 -0.01 0.00 0.00 175.02 175.55 3dnf s ILE 214 N 0.66 3.83 -0.22 2.53 -1.09 0.10 -1.14 121.20 125.87 3dnf s ILE 214 Ca -0.01 -0.35 -0.03 0.00 -2.23 0.00 0.00 60.65 58.03 3dnf s ILE 214 Cb -0.14 -2.74 0.00 0.00 -1.58 0.00 0.00 42.46 38.00 3dnf s ILE 214 CO 0.02 0.42 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.46 3dnf s ILE 215 N 1.13 3.11 -0.08 2.92 -1.09 -0.51 -0.46 121.20 126.22 3dnf s ILE 215 Ca 0.02 -0.67 -0.04 0.00 -2.23 0.00 0.00 60.65 57.74 3dnf s ILE 215 Cb -0.14 -2.44 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 3dnf s ILE 215 CO 0.01 0.38 0.08 -0.63 -1.23 0.00 0.00 174.94 173.55 3dnf s ILE 216 N 1.42 4.92 0.00 2.92 1.01 0.04 -0.88 121.20 130.64 3dnf s ILE 216 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3dnf s ILE 216 Cb -0.15 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.17 3dnf s ILE 216 CO -0.05 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3dnf n GLY 217 N 1.82 3.05 3.76 6.18 0.00 -0.52 -0.68 105.19 118.80 3dnf n GLY 217 Ca -0.18 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 3dnf n GLY 217 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dnf s GLY 218 N 0.00 2.86 0.35 -0.02 0.00 -1.26 -4.04 107.32 105.21 3dnf s GLY 218 Ca 0.00 1.21 0.04 0.00 0.00 0.00 0.00 44.72 45.97 3dnf s GLY 218 CO 0.00 1.72 1.93 0.50 0.00 0.00 0.00 173.10 177.25 3dnf h LYS 219 N 1.88 0.60 -0.00 2.90 1.57 -2.00 -2.31 116.57 119.21 3dnf h LYS 219 Ca -0.50 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 3dnf h LYS 219 Cb 1.27 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3dnf h LYS 219 CO 0.59 0.53 -0.00 0.27 -0.57 0.00 0.00 179.45 180.27 3dnf n ASN 220 N -4.34 0.00 -4.57 0.86 6.94 -1.26 -4.66 115.26 108.23 3dnf n ASN 220 Ca 0.03 0.26 -0.41 0.00 -0.02 0.00 0.00 54.58 54.44 3dnf n ASN 220 Cb 0.18 -0.42 -0.03 0.00 -2.36 0.00 0.00 39.78 37.15 3dnf n ASN 220 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3dnf s SER 221 N -2.85 5.75 0.19 0.53 0.15 -0.87 -4.89 113.70 111.72 3dnf s SER 221 Ca 0.19 0.63 -0.12 0.00 0.70 0.00 0.00 55.95 57.36 3dnf s SER 221 Cb 0.19 -2.53 0.21 0.00 -1.71 0.00 0.00 66.02 62.18 3dnf s SER 221 CO 0.51 -1.94 1.74 1.23 1.20 0.00 0.00 173.24 175.97 3dnf h GLY 222 N 14.45 0.70 2.00 9.45 0.00 -1.87 -2.03 103.07 125.76 3dnf h GLY 222 Ca -0.28 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3dnf h GLY 222 CO 1.14 -0.03 0.00 3.43 0.00 0.00 0.00 176.54 181.09 3dnf h ASN 223 N 0.33 0.00 -0.25 0.19 -0.26 -1.96 -2.37 115.58 111.26 3dnf h ASN 223 Ca 0.26 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.91 3dnf h ASN 223 Cb 0.32 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.57 3dnf h ASN 223 CO -0.29 0.00 -0.20 0.74 -1.06 0.00 0.00 177.43 176.62 3dnf h THR 224 N 0.00 1.31 0.00 2.81 2.02 -1.78 -2.73 112.91 114.54 3dnf h THR 224 Ca 0.00 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 3dnf h THR 224 Cb 0.72 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 3dnf h THR 224 CO 0.00 0.42 -0.05 0.03 0.37 0.00 0.00 175.52 176.28 3dnf h ARG 225 N 0.28 0.00 -0.09 6.66 3.08 -1.02 -0.92 114.38 122.37 3dnf h ARG 225 Ca 0.04 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.86 3dnf h ARG 225 Cb 0.74 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.80 3dnf h ARG 225 CO 0.05 0.05 -0.87 -0.09 -1.07 0.00 0.00 179.97 178.04 3dnf h ARG 226 N 0.00 0.75 -0.71 0.04 2.43 -1.42 -1.94 114.38 113.53 3dnf h ARG 226 Ca -0.00 -0.69 0.06 0.00 -0.81 0.00 0.00 59.98 58.54 3dnf h ARG 226 Cb 0.10 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 3dnf h ARG 226 CO 0.01 1.28 0.41 -0.07 -1.51 0.00 0.00 179.97 180.09 3dnf h LEU 227 N 0.46 0.62 0.33 3.80 3.38 -1.00 -0.58 115.31 122.31 3dnf h LEU 227 Ca -0.08 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3dnf h LEU 227 Cb 1.51 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 3dnf h LEU 227 CO 0.18 0.40 -0.21 0.22 0.09 0.00 0.00 178.44 179.12 3dnf h TYR 228 N 0.76 -0.56 -0.32 1.13 3.20 -1.10 -2.58 116.97 117.50 3dnf h TYR 228 Ca 0.31 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3dnf h TYR 228 Cb 0.17 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3dnf h TYR 228 CO -0.07 -0.33 0.21 1.88 -1.64 0.00 0.00 178.16 178.21 3dnf h TYR 229 N -0.53 0.40 -0.85 -3.82 0.99 -1.06 0.17 116.97 112.26 3dnf h TYR 229 Ca -0.03 0.01 0.10 0.00 2.00 0.00 0.00 58.73 60.81 3dnf h TYR 229 Cb 0.44 -0.13 -0.08 0.00 1.00 0.00 0.00 36.73 37.96 3dnf h TYR 229 CO -0.10 0.25 0.49 0.97 -0.00 0.00 0.00 178.16 179.77 3dnf h ILE 230 N 0.43 0.90 -0.05 -2.88 2.10 -1.16 -1.20 117.51 115.65 3dnf h ILE 230 Ca 0.12 -0.28 -0.07 0.00 1.08 0.00 0.00 64.86 65.71 3dnf h ILE 230 Cb -0.05 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 35.70 3dnf h ILE 230 CO -0.03 0.15 -0.25 -1.28 -1.08 0.00 0.00 178.15 175.66 3dnf h SER 231 N 0.82 0.30 -0.19 2.19 0.87 -1.00 -3.20 113.55 113.34 3dnf h SER 231 Ca 0.42 -0.67 0.05 0.00 -1.23 0.00 0.00 61.79 60.36 3dnf h SER 231 Cb 0.40 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3dnf h SER 231 CO -0.26 0.92 0.16 0.50 -0.53 0.00 0.00 176.83 177.62 3dnf h LYS 232 N -0.29 0.00 -0.01 2.24 1.63 -0.41 0.23 116.57 119.95 3dnf h LYS 232 Ca -0.02 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.63 3dnf h LYS 232 Cb 0.92 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.53 3dnf h LYS 232 CO 0.05 0.00 -0.70 1.49 -3.45 0.00 0.00 179.45 176.85 3dnf h GLU 233 N 0.00 0.08 0.00 1.90 4.81 -1.24 -3.32 114.58 116.81 3dnf h GLU 233 Ca 0.09 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3dnf h GLU 233 Cb 0.40 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3dnf h GLU 233 CO -0.00 0.74 -1.33 1.28 -0.73 0.00 0.00 179.01 178.97 3dnf n LEU 234 N -3.74 0.51 -3.32 1.64 4.77 -0.17 -4.88 117.00 111.81 3dnf n LEU 234 Ca -0.02 -0.28 -0.02 0.00 -0.03 0.00 0.00 56.01 55.66 3dnf n LEU 234 Cb 0.68 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 3dnf n LEU 234 CO 0.44 0.13 0.08 0.21 -1.33 0.00 0.00 177.39 176.92 3dnf s ASN 235 N -3.43 -0.68 0.55 -1.43 3.84 0.63 -4.41 114.94 110.02 3dnf s ASN 235 Ca 0.01 0.73 0.25 0.00 0.21 0.00 0.00 52.86 54.05 3dnf s ASN 235 Cb 0.14 1.73 1.46 0.00 -0.55 0.00 0.00 41.25 44.03 3dnf s ASN 235 CO 0.79 -0.27 2.06 1.55 -2.79 0.00 0.00 177.10 178.45 3dnf h PRO 236 N 8.08 0.00 -1.71 0.43 0.13 -1.82 -2.87 132.00 134.24 3dnf h PRO 236 Ca -0.21 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.72 3dnf h PRO 236 Cb 1.15 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 3dnf h PRO 236 CO 0.24 0.00 0.25 0.09 -0.23 0.00 0.00 178.00 178.35 3dnf n ASN 237 N -4.19 6.05 -4.77 1.44 3.02 -1.26 -4.82 115.26 110.72 3dnf n ASN 237 Ca 0.04 -2.82 -0.37 0.00 -0.03 0.00 0.00 54.58 51.40 3dnf n ASN 237 Cb 0.40 -1.09 -0.06 0.00 -0.61 0.00 0.00 39.78 38.41 3dnf n ASN 237 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dnf s THR 238 N -1.41 5.18 -0.06 3.41 2.01 -1.08 -1.16 115.64 122.54 3dnf s THR 238 Ca 0.21 0.75 0.02 0.00 0.31 0.00 0.00 61.69 62.99 3dnf s THR 238 Cb 0.16 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.98 3dnf s THR 238 CO -0.01 0.45 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.95 3dnf s TYR 239 N -0.08 1.31 -0.09 4.92 1.51 -0.29 -4.92 117.35 119.71 3dnf s TYR 239 Ca 0.22 -0.45 -0.15 0.00 -1.01 0.00 0.00 57.07 55.68 3dnf s TYR 239 Cb -0.15 -0.97 -0.05 0.00 -0.11 0.00 0.00 41.96 40.69 3dnf s TYR 239 CO 0.09 -0.23 0.39 -1.58 -1.11 0.00 0.00 175.55 173.11 3dnf s HIS 240 N 0.59 3.57 0.03 2.71 5.65 -1.26 -1.42 115.29 125.15 3dnf s HIS 240 Ca -0.12 0.83 -0.00 0.00 0.25 0.00 0.00 55.06 56.02 3dnf s HIS 240 Cb -0.14 -2.39 -0.02 0.00 -1.18 0.00 0.00 32.58 28.84 3dnf s HIS 240 CO 0.03 0.36 -0.03 0.96 -0.65 0.00 0.00 174.74 175.40 3dnf s ILE 241 N -0.02 0.16 -0.15 0.89 -4.36 -0.06 -4.97 121.20 112.69 3dnf s ILE 241 Ca 0.22 -1.13 0.18 0.00 -0.26 0.00 0.00 60.65 59.67 3dnf s ILE 241 Cb -0.15 -0.57 -0.26 0.00 1.25 0.00 0.00 42.46 42.74 3dnf s ILE 241 CO 0.09 -0.61 0.26 -0.62 0.24 0.00 0.00 174.94 174.30 3dnf n GLU 242 N 1.25 0.67 -3.99 0.37 1.02 -1.26 -1.45 120.64 117.26 3dnf n GLU 242 Ca -0.22 -0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 56.83 3dnf n GLU 242 Cb 0.56 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 30.31 3dnf n GLU 242 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3dnf s THR 243 N -2.75 0.12 0.60 2.62 2.01 -1.26 -4.71 115.64 112.26 3dnf s THR 243 Ca -0.09 -0.98 0.29 0.00 0.31 0.00 0.00 61.69 61.23 3dnf s THR 243 Cb 0.08 -0.37 0.37 0.00 0.01 0.00 0.00 72.50 72.59 3dnf s THR 243 CO 0.84 -0.54 1.91 0.00 -0.69 0.00 0.00 174.62 176.15 3dnf h ALA 244 N 4.52 2.05 -0.38 7.40 0.00 -1.90 -1.76 119.26 129.20 3dnf h ALA 244 Ca -0.32 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.68 3dnf h ALA 244 Cb 1.20 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3dnf h ALA 244 CO 0.43 -0.64 0.27 0.93 0.00 0.00 0.00 179.25 180.25 3dnf h GLU 245 N 0.00 0.00 0.00 0.00 4.39 -1.96 -2.21 114.58 114.80 3dnf h GLU 245 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 3dnf h GLU 245 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3dnf h GLU 245 CO -0.00 0.00 -0.04 0.93 -1.16 0.00 0.00 179.01 178.74 3dnf h GLU 246 N 0.00 0.00 -5.78 2.33 5.08 -1.74 -3.45 114.58 111.03 3dnf h GLU 246 Ca 0.18 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.01 3dnf h GLU 246 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3dnf h GLU 246 CO -0.00 0.00 1.57 1.28 -1.00 0.00 0.00 179.01 180.86 3dnf n LEU 247 N -2.66 2.66 -4.69 1.33 4.77 -0.83 -4.94 117.00 112.64 3dnf n LEU 247 Ca 0.05 -0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 3dnf n LEU 247 Cb 0.48 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.00 3dnf n LEU 247 CO 0.32 -1.13 0.76 -1.10 -1.33 0.00 0.00 177.39 174.92 3dnf s GLN 248 N 7.37 4.41 0.54 3.23 -0.21 -1.26 -4.92 119.66 128.83 3dnf s GLN 248 Ca 1.01 1.34 0.30 0.00 0.02 0.00 0.00 55.36 58.03 3dnf s GLN 248 Cb -0.31 -3.54 1.46 0.00 1.00 0.00 0.00 33.01 31.61 3dnf s GLN 248 CO 0.32 -0.31 1.92 -1.35 -2.12 0.00 0.00 175.29 173.75 3dnf h PRO 249 N 7.11 0.00 -1.00 2.91 0.11 -1.99 -1.62 132.00 137.53 3dnf h PRO 249 Ca -0.31 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.90 3dnf h PRO 249 Cb 1.15 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 3dnf h PRO 249 CO 0.85 0.00 0.63 1.49 -0.21 0.00 0.00 178.00 180.77 3dnf h GLU 250 N 0.00 1.03 0.00 1.05 4.81 -2.01 -2.42 114.58 117.05 3dnf h GLU 250 Ca 0.35 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3dnf h GLU 250 Cb 1.46 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 3dnf h GLU 250 CO -0.00 0.68 -0.08 -1.49 -0.73 0.00 0.00 179.01 177.39 3dnf h TRP 251 N 1.07 0.00 -0.58 0.92 6.55 -1.70 -3.08 115.95 119.13 3dnf h TRP 251 Ca 0.47 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 60.15 3dnf h TRP 251 Cb 0.35 0.00 -0.10 0.00 -0.86 0.00 0.00 29.16 28.56 3dnf h TRP 251 CO -0.00 0.08 0.16 1.19 -1.05 0.00 0.00 178.44 178.81 3dnf n PHE 252 N -3.48 1.94 -2.56 0.49 3.01 -0.91 -4.94 117.46 111.01 3dnf n PHE 252 Ca -0.02 -1.18 -0.42 0.00 1.01 0.00 0.00 57.45 56.84 3dnf n PHE 252 Cb 0.22 -0.58 -0.03 0.00 -0.01 0.00 0.00 39.48 39.08 3dnf n PHE 252 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3dnf s ARG 253 N -2.99 4.47 -1.67 -1.08 0.52 -1.17 -3.89 118.95 113.14 3dnf s ARG 253 Ca 0.51 1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 57.31 3dnf s ARG 253 Cb 0.42 -3.43 0.00 0.00 0.52 0.00 0.00 34.95 32.46 3dnf s ARG 253 CO 0.11 -0.20 0.16 0.41 0.02 0.00 0.00 175.30 175.80 3dnf n GLY 254 N 3.10 -0.47 3.88 -3.53 0.00 -1.26 -4.99 105.19 101.92 3dnf n GLY 254 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3dnf n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dnf s VAL 255 N -3.05 5.15 -0.12 1.61 1.01 -1.25 -5.02 120.40 118.72 3dnf s VAL 255 Ca 0.08 0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 3dnf s VAL 255 Cb -0.03 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 3dnf s VAL 255 CO 0.10 0.21 -0.17 1.17 0.00 0.00 0.00 175.10 176.41 3dnf n LYS 256 N 0.65 0.28 -4.79 2.72 4.81 -1.26 -4.92 118.16 115.66 3dnf n LYS 256 Ca -0.06 0.12 -0.33 0.00 -0.87 0.00 0.00 58.31 57.17 3dnf n LYS 256 Cb 0.52 -0.97 -0.15 0.00 0.02 0.00 0.00 35.03 34.46 3dnf n LYS 256 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3dnf s ARG 257 N -2.27 3.36 -0.13 1.64 0.52 -1.26 -1.85 118.95 118.96 3dnf s ARG 257 Ca -0.18 -0.70 -0.01 0.00 -0.52 0.00 0.00 55.73 54.32 3dnf s ARG 257 Cb 0.06 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.90 3dnf s ARG 257 CO 0.23 0.20 -0.10 0.08 0.02 0.00 0.00 175.30 175.74 3dnf s VAL 258 N 0.37 3.37 -0.12 3.52 1.01 0.31 -0.95 120.40 127.91 3dnf s VAL 258 Ca -0.11 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3dnf s VAL 258 Cb -0.16 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3dnf s VAL 258 CO 0.06 0.52 0.09 -0.83 0.00 0.00 0.00 175.10 174.94 3dnf s GLY 259 N 0.26 2.04 -0.07 4.51 0.00 0.14 -0.41 107.32 113.78 3dnf s GLY 259 Ca -0.07 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 43.97 3dnf s GLY 259 CO 0.04 -0.37 -0.14 -0.42 0.00 0.00 0.00 173.10 172.21 3dnf s ILE 260 N -0.79 1.27 0.38 0.90 1.01 -0.29 0.03 121.20 123.71 3dnf s ILE 260 Ca 0.13 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.27 3dnf s ILE 260 Cb -0.12 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 3dnf s ILE 260 CO 0.03 0.39 0.18 -0.55 0.00 0.00 0.00 174.94 174.98 3dnf s SER 261 N 0.62 2.35 -0.01 3.58 0.15 0.39 0.17 113.70 120.94 3dnf s SER 261 Ca -0.15 -1.70 -0.19 0.00 0.70 0.00 0.00 55.95 54.61 3dnf s SER 261 Cb -0.16 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 64.71 3dnf s SER 261 CO 0.05 -0.98 0.40 0.00 1.20 0.00 0.00 173.24 173.91 3dnf s ALA 262 N -3.32 -1.02 1.15 5.45 0.00 -1.26 -0.78 121.76 121.98 3dnf s ALA 262 Ca 0.30 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.62 3dnf s ALA 262 Cb 0.02 0.10 0.26 0.00 0.00 0.00 0.00 23.12 23.51 3dnf s ALA 262 CO 0.19 -0.31 1.09 0.20 0.00 0.00 0.00 175.76 176.93 3dnf s GLY 263 N -1.40 1.57 0.26 0.00 0.00 0.14 -1.47 107.32 106.42 3dnf s GLY 263 Ca -0.12 -0.73 0.22 0.00 0.00 0.00 0.00 44.72 44.09 3dnf s GLY 263 CO 0.05 0.07 1.67 0.00 0.00 0.00 0.00 173.10 174.88 3dnf n ALA 264 N -4.63 1.45 -0.47 3.20 0.00 -1.26 -2.39 120.51 116.40 3dnf n ALA 264 Ca 0.10 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.74 3dnf n ALA 264 Cb 0.59 -1.35 0.28 0.00 0.00 0.00 0.00 19.45 18.97 3dnf n ALA 264 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dnf n SER 265 N -2.20 3.96 -4.50 0.00 7.64 -1.26 -4.03 113.62 113.22 3dnf n SER 265 Ca 0.01 -2.26 -0.38 0.00 1.01 0.00 0.00 58.87 57.25 3dnf n SER 265 Cb 0.16 -0.46 -0.11 0.00 -1.01 0.00 0.00 64.21 62.79 3dnf n SER 265 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3dnf s THR 266 N -1.48 4.89 0.63 0.44 2.01 -1.01 -4.74 115.64 116.38 3dnf s THR 266 Ca 0.42 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.14 3dnf s THR 266 Cb 0.25 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 3dnf s THR 266 CO 0.23 0.16 1.05 -2.16 -0.69 0.00 0.00 174.62 173.22 3dnf s PRO 267 N 1.68 3.21 0.56 4.92 0.04 -1.26 -3.07 135.00 141.07 3dnf s PRO 267 Ca 0.06 1.06 0.24 0.00 0.04 0.00 0.00 61.00 62.40 3dnf s PRO 267 Cb -0.16 -2.02 1.59 0.00 0.04 0.00 0.00 34.50 33.94 3dnf s PRO 267 CO 0.08 -0.89 2.21 -0.44 0.04 0.00 0.00 177.00 178.00 3dnf h ASP 268 N -0.06 0.00 0.60 6.66 3.32 -1.98 -2.38 116.42 122.58 3dnf h ASP 268 Ca -0.45 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 3dnf h ASP 268 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3dnf h ASP 268 CO 0.58 0.00 -0.45 4.11 -1.72 0.00 0.00 179.24 181.76 3dnf h TRP 269 N 0.00 0.00 -0.15 4.55 5.08 -1.99 -1.22 115.95 122.21 3dnf h TRP 269 Ca -0.00 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.87 3dnf h TRP 269 Cb 0.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.17 3dnf h TRP 269 CO 0.00 0.45 -0.31 0.82 -1.28 0.00 0.00 178.44 178.12 3dnf h ILE 270 N 0.00 1.36 -0.95 0.12 2.04 -1.81 -2.09 117.51 116.18 3dnf h ILE 270 Ca -0.00 -1.57 0.08 0.00 1.00 0.00 0.00 64.86 64.36 3dnf h ILE 270 Cb 0.88 1.98 -0.07 0.00 -0.74 0.00 0.00 36.82 38.87 3dnf h ILE 270 CO 0.06 0.47 0.61 0.40 0.00 0.00 0.00 178.15 179.69 3dnf h ILE 271 N 0.11 1.03 -0.30 -0.67 2.04 -1.39 -1.36 117.51 116.97 3dnf h ILE 271 Ca 0.00 -0.36 -0.12 0.00 1.00 0.00 0.00 64.86 65.38 3dnf h ILE 271 Cb 0.91 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3dnf h ILE 271 CO 0.07 0.19 -0.32 -0.33 0.00 0.00 0.00 178.15 177.76 3dnf h GLU 272 N 1.04 0.64 -0.63 2.37 4.39 -1.22 -0.63 114.58 120.54 3dnf h GLU 272 Ca 0.42 -0.29 0.01 0.00 0.34 0.00 0.00 59.36 59.84 3dnf h GLU 272 Cb 0.27 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3dnf h GLU 272 CO -0.18 0.88 0.41 1.96 -1.16 0.00 0.00 179.01 180.93 3dnf h GLN 273 N 0.55 0.81 -0.14 2.33 4.20 -0.68 -1.09 115.11 121.09 3dnf h GLN 273 Ca 0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3dnf h GLN 273 Cb 0.82 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3dnf h GLN 273 CO 0.07 0.54 0.00 0.28 -0.67 0.00 0.00 178.83 179.05 3dnf h VAL 274 N 0.84 1.25 -0.29 -0.54 2.07 -1.12 -2.47 116.25 116.00 3dnf h VAL 274 Ca 0.24 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.98 3dnf h VAL 274 Cb -0.07 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3dnf h VAL 274 CO -0.06 0.24 0.03 0.50 0.02 0.00 0.00 177.57 178.30 3dnf h LYS 275 N -0.01 0.13 0.00 1.57 3.64 -0.93 -0.92 116.57 120.05 3dnf h LYS 275 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3dnf h LYS 275 Cb 0.36 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3dnf h LYS 275 CO 0.01 0.08 0.00 0.66 -2.27 0.00 0.00 179.45 177.93 3dnf h SER 276 N 0.13 0.00 0.14 4.20 4.64 -1.25 -1.59 113.55 119.83 3dnf h SER 276 Ca 0.13 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.22 3dnf h SER 276 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3dnf h SER 276 CO -0.20 0.00 -0.93 -0.09 -0.87 0.00 0.00 176.83 174.74 3dnf h ARG 277 N 0.00 0.57 -0.71 4.77 9.65 -1.10 -1.87 114.38 125.69 3dnf h ARG 277 Ca 0.00 -0.57 -0.02 0.00 -1.10 0.00 0.00 59.98 58.28 3dnf h ARG 277 Cb 0.78 0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.48 3dnf h ARG 277 CO 0.00 1.19 0.35 0.82 2.80 0.00 0.00 179.97 185.14 3dnf h ILE 278 N 0.34 1.23 0.00 1.20 2.04 -0.88 0.41 117.51 121.85 3dnf h ILE 278 Ca -0.09 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 3dnf h ILE 278 Cb 1.57 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3dnf h ILE 278 CO 0.17 0.27 -0.16 1.56 0.00 0.00 0.00 178.15 179.99 3dnf h GLN 279 N 0.99 0.00 0.00 2.37 4.20 -1.31 -1.19 115.11 120.18 3dnf h GLN 279 Ca 0.25 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.76 3dnf h GLN 279 Cb 0.10 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3dnf h GLN 279 CO -0.03 0.16 -0.92 1.49 -0.67 0.00 0.00 178.83 178.86 3dnf h GLU 280 N 0.00 0.00 -0.28 1.46 4.81 -0.55 -3.24 114.58 116.78 3dnf h GLU 280 Ca -0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 3dnf h GLU 280 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3dnf h GLU 280 CO 0.02 0.92 -0.56 0.82 -0.73 0.00 0.00 179.01 179.48 3dnf h ILE 281 N 0.00 1.27 -0.02 2.32 2.04 -0.46 -3.51 117.51 119.15 3dnf h ILE 281 Ca -0.01 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.10 3dnf h ILE 281 Cb 1.66 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 3dnf h ILE 281 CO 0.12 0.57 0.00 0.00 0.00 0.00 0.00 178.15 178.84