#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgf s ASN 2 N 0.00 5.93 0.60 0.00 2.20 -0.80 -4.96 114.94 117.91 2qgf s ASN 2 Ca 0.00 1.74 0.30 0.00 -0.94 0.00 0.00 52.86 53.97 2qgf s ASN 2 Cb 0.00 -2.52 1.81 0.00 -2.00 0.00 0.00 41.25 38.53 2qgf s ASN 2 CO 0.00 -1.06 2.20 1.55 -2.94 0.00 0.00 177.10 176.85 2qgf h PRO 3 N 0.44 0.00 -0.30 3.55 0.13 -1.95 -2.59 132.00 131.28 2qgf h PRO 3 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2qgf h PRO 3 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2qgf h PRO 3 CO 0.58 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.63 2qgf n LEU 4 N -3.75 3.18 -4.71 1.56 4.77 -1.26 -4.90 117.00 111.89 2qgf n LEU 4 Ca -0.01 -1.31 -0.43 0.00 -0.03 0.00 0.00 56.01 54.23 2qgf n LEU 4 Cb 0.17 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2qgf n LEU 4 CO 0.27 0.66 1.35 0.00 -1.33 0.00 0.00 177.39 178.33 2qgf n TYR 5 N 1.34 2.68 -1.59 -1.77 4.19 -0.98 -1.76 117.16 119.27 2qgf n TYR 5 Ca 0.18 0.06 -0.15 0.00 3.31 0.00 0.00 57.90 61.30 2qgf n TYR 5 Cb 0.58 -2.66 -0.06 0.00 0.49 0.00 0.00 39.34 37.69 2qgf n TYR 5 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 2qgf n GLN 6 N 3.96 -1.44 -3.70 2.98 1.13 0.82 -4.97 117.38 116.16 2qgf n GLN 6 Ca 0.16 0.88 -0.29 0.00 -1.94 0.00 0.00 57.00 55.81 2qgf n GLN 6 Cb 0.34 -5.21 -0.04 0.00 0.11 0.00 0.00 30.24 25.44 2qgf n GLN 6 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2qgf s LYS 7 N -3.55 3.55 0.23 -1.09 -0.14 -0.72 -4.77 119.74 113.24 2qgf s LYS 7 Ca 0.00 -0.26 -0.22 0.00 -1.36 0.00 0.00 55.97 54.13 2qgf s LYS 7 Cb 0.00 -2.86 -0.08 0.00 -1.68 0.00 0.00 37.83 33.21 2qgf s LYS 7 CO 0.00 0.44 0.76 -1.01 -0.76 0.00 0.00 175.35 174.78 2qgf s HIS 8 N -1.77 3.70 -0.55 3.18 3.76 -1.26 -4.69 115.29 117.65 2qgf s HIS 8 Ca 0.39 1.49 -0.03 0.00 -0.15 0.00 0.00 55.06 56.76 2qgf s HIS 8 Cb -0.12 -2.69 0.14 0.00 1.11 0.00 0.00 32.58 31.03 2qgf s HIS 8 CO 0.27 0.35 0.36 0.42 -0.85 0.00 0.00 174.74 175.30 2qgf s ILE 9 N -1.47 3.53 -0.20 0.60 -1.09 -1.00 -4.92 121.20 116.66 2qgf s ILE 9 Ca 0.43 -2.69 -0.12 0.00 -2.23 0.00 0.00 60.65 56.03 2qgf s ILE 9 Cb -0.18 -3.35 -0.09 0.00 -1.58 0.00 0.00 42.46 37.27 2qgf s ILE 9 CO 0.22 -0.82 -0.29 -0.38 -1.23 0.00 0.00 174.94 172.45 2qgf n ILE 10 N 3.82 1.29 -4.18 2.92 2.08 -1.26 -1.29 119.36 122.74 2qgf n ILE 10 Ca 0.05 -0.19 -0.14 0.00 0.56 0.00 0.00 62.75 63.03 2qgf n ILE 10 Cb 0.39 -1.91 -0.11 0.00 -0.75 0.00 0.00 39.64 37.26 2qgf n ILE 10 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2qgf s SER 11 N -6.76 1.42 0.35 4.38 0.15 -1.26 -4.49 113.70 107.49 2qgf s SER 11 Ca -0.30 -0.84 0.17 0.00 0.70 0.00 0.00 55.95 55.68 2qgf s SER 11 Cb 0.10 0.02 0.59 0.00 -1.71 0.00 0.00 66.02 65.01 2qgf s SER 11 CO 0.39 -0.29 1.69 -0.29 1.20 0.00 0.00 173.24 175.94 2qgf h ILE 12 N 3.47 0.97 0.00 6.45 6.09 -1.94 -2.13 117.51 130.42 2qgf h ILE 12 Ca -0.37 -1.67 0.00 0.00 -1.37 0.00 0.00 64.86 61.45 2qgf h ILE 12 Cb 1.19 2.00 0.00 0.00 0.47 0.00 0.00 36.82 40.47 2qgf h ILE 12 CO 0.55 0.42 0.00 0.59 -3.07 0.00 0.00 178.15 176.63 2qgf n ASN 13 N -3.55 0.60 0.07 2.19 5.03 -1.26 -2.31 115.26 116.02 2qgf n ASN 13 Ca -0.00 0.68 0.12 0.00 0.87 0.00 0.00 54.58 56.24 2qgf n ASN 13 Cb 0.54 -0.79 0.10 0.00 -1.02 0.00 0.00 39.78 38.61 2qgf n ASN 13 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 2qgf h ASP 14 N 0.00 0.00 -2.63 6.41 3.32 -1.79 -3.46 116.42 118.26 2qgf h ASP 14 Ca 0.00 -0.19 -0.56 0.00 0.02 0.00 0.00 57.03 56.30 2qgf h ASP 14 Cb 0.26 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 2qgf h ASP 14 CO 0.00 0.09 -0.49 -0.76 -1.72 0.00 0.00 179.24 176.37 2qgf s LEU 15 N -4.46 4.25 0.56 1.55 1.43 -0.98 -5.05 118.68 115.98 2qgf s LEU 15 Ca 0.04 0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 2qgf s LEU 15 Cb 0.13 -2.83 0.07 0.00 0.03 0.00 0.00 46.19 43.58 2qgf s LEU 15 CO 0.75 0.07 0.65 -0.94 0.23 0.00 0.00 176.35 177.11 2qgf s SER 16 N -3.11 4.94 0.22 2.29 1.04 -1.26 -4.93 113.70 112.88 2qgf s SER 16 Ca 0.34 -0.98 -0.08 0.00 0.48 0.00 0.00 55.95 55.70 2qgf s SER 16 Cb -0.11 0.32 0.27 0.00 0.10 0.00 0.00 66.02 66.60 2qgf s SER 16 CO 0.28 -1.25 1.80 -0.09 0.98 0.00 0.00 173.24 174.96 2qgf h ARG 17 N 0.39 0.66 0.17 4.02 2.43 -1.97 -0.23 114.38 119.85 2qgf h ARG 17 Ca -0.32 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 2qgf h ARG 17 Cb 1.29 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2qgf h ARG 17 CO 0.47 0.44 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.84 2qgf h ASP 18 N 0.68 -0.20 -0.62 -3.80 3.32 -1.98 -0.19 116.42 113.63 2qgf h ASP 18 Ca 0.32 -0.18 0.13 0.00 0.02 0.00 0.00 57.03 57.32 2qgf h ASP 18 Cb 0.24 0.05 -0.10 0.00 0.22 0.00 0.00 39.33 39.73 2qgf h ASP 18 CO -0.21 0.07 0.00 0.44 -1.72 0.00 0.00 179.24 177.83 2qgf h ASP 19 N -0.47 -0.27 -0.70 6.45 3.45 -1.88 0.66 116.42 123.67 2qgf h ASP 19 Ca -0.02 0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.59 2qgf h ASP 19 Cb 0.36 0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.37 2qgf h ASP 19 CO 0.04 -0.11 0.45 -0.07 -1.57 0.00 0.00 179.24 177.97 2qgf h LEU 20 N 0.12 0.82 -0.83 1.55 3.38 -0.82 -0.75 115.31 118.79 2qgf h LEU 20 Ca 0.32 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 2qgf h LEU 20 Cb 0.52 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2qgf h LEU 20 CO -0.53 0.61 -0.48 0.78 0.09 0.00 0.00 178.44 178.92 2qgf h ASN 21 N 0.95 0.27 -0.43 -0.43 -0.26 0.94 -2.07 115.58 114.55 2qgf h ASN 21 Ca 0.25 -0.13 -0.09 0.00 -0.56 0.00 0.00 56.30 55.78 2qgf h ASN 21 Cb -0.08 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 2qgf h ASN 21 CO -0.05 0.71 -0.08 0.25 -1.06 0.00 0.00 177.43 177.20 2qgf h LEU 22 N 0.20 0.82 -0.37 1.61 5.85 0.74 0.22 115.31 124.38 2qgf h LEU 22 Ca 0.01 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 2qgf h LEU 22 Cb 0.93 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2qgf h LEU 22 CO 0.08 0.98 0.01 0.58 -0.34 0.00 0.00 178.44 179.74 2qgf h VAL 23 N 0.65 1.26 0.00 1.05 2.07 -1.05 -2.36 116.25 117.86 2qgf h VAL 23 Ca 0.11 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 2qgf h VAL 23 Cb 0.60 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2qgf h VAL 23 CO 0.04 0.32 -0.46 -0.07 0.02 0.00 0.00 177.57 177.42 2qgf h LEU 24 N 0.46 0.00 -0.28 2.57 3.38 -1.25 -0.63 115.31 119.57 2qgf h LEU 24 Ca 0.11 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 2qgf h LEU 24 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2qgf h LEU 24 CO 0.02 0.46 -0.63 0.00 0.09 0.00 0.00 178.44 178.38 2qgf h ALA 25 N 1.54 0.44 -0.32 1.53 0.00 -0.47 -2.60 119.26 119.39 2qgf h ALA 25 Ca -0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 2qgf h ALA 25 Cb 0.92 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2qgf h ALA 25 CO 0.06 0.69 -0.31 1.15 0.00 0.00 0.00 179.25 180.83 2qgf h THR 26 N 0.60 1.28 -0.62 0.00 2.02 -1.24 -2.48 112.91 112.47 2qgf h THR 26 Ca -0.01 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 65.71 2qgf h THR 26 Cb 1.24 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 2qgf h THR 26 CO 0.13 0.47 0.32 0.00 0.37 0.00 0.00 175.52 176.81 2qgf h ALA 27 N 1.08 0.80 -0.74 6.16 0.00 -1.08 -1.38 119.26 124.10 2qgf h ALA 27 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2qgf h ALA 27 Cb 0.82 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2qgf h ALA 27 CO 0.07 0.35 0.41 0.00 0.00 0.00 0.00 179.25 180.07 2qgf h ALA 28 N 1.14 0.95 -0.32 0.00 0.00 -1.26 -1.17 119.26 118.60 2qgf h ALA 28 Ca 0.22 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2qgf h ALA 28 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2qgf h ALA 28 CO -0.03 0.46 -0.38 0.87 0.00 0.00 0.00 179.25 180.17 2qgf h LYS 29 N 1.02 0.74 0.00 0.00 1.57 -1.02 -1.74 116.57 117.14 2qgf h LYS 29 Ca 0.26 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 2qgf h LYS 29 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2qgf h LYS 29 CO -0.04 0.99 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.45 2qgf h LEU 30 N 0.61 0.00 -0.24 2.94 3.38 -1.08 0.47 115.31 121.38 2qgf h LEU 30 Ca 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 2qgf h LEU 30 Cb 0.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2qgf h LEU 30 CO 0.08 0.32 -0.89 0.50 0.09 0.00 0.00 178.44 178.54 2qgf h LYS 31 N 0.00 0.07 0.07 1.13 3.64 -0.91 -3.11 116.57 117.46 2qgf h LYS 31 Ca -0.00 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 2qgf h LYS 31 Cb 0.77 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.63 2qgf h LYS 31 CO 0.04 0.91 -0.51 0.00 -2.27 0.00 0.00 179.45 177.62 2qgf h ALA 32 N 1.06 -0.01 -2.98 5.00 0.00 -0.96 -3.43 119.26 117.93 2qgf h ALA 32 Ca -0.03 -0.66 -0.57 0.00 0.00 0.00 0.00 54.91 53.65 2qgf h ALA 32 Cb 1.55 0.11 -0.40 0.00 0.00 0.00 0.00 17.79 19.06 2qgf h ALA 32 CO 0.12 0.26 -0.77 1.21 0.00 0.00 0.00 179.25 180.07 2qgf s ASN 33 N -6.63 3.77 0.50 0.00 3.84 0.16 -5.09 114.94 111.48 2qgf s ASN 33 Ca -0.17 -1.65 -0.22 0.00 0.21 0.00 0.00 52.86 51.02 2qgf s ASN 33 Cb -0.00 -0.68 -0.06 0.00 -0.55 0.00 0.00 41.25 39.95 2qgf s ASN 33 CO 0.75 -0.40 1.22 -2.16 -2.79 0.00 0.00 177.10 173.72 2qgf s PRO 34 N 1.62 3.52 -0.65 0.43 0.04 -1.18 -4.26 135.00 134.53 2qgf s PRO 34 Ca 0.11 1.89 0.05 0.00 0.04 0.00 0.00 61.00 63.10 2qgf s PRO 34 Cb -0.18 -2.31 0.19 0.00 0.04 0.00 0.00 34.50 32.24 2qgf s PRO 34 CO -0.25 -0.78 0.55 1.04 0.04 0.00 0.00 177.00 177.60 2qgf n GLN 35 N -0.75 1.80 0.00 4.56 1.13 -1.26 -4.97 117.38 117.89 2qgf n GLN 35 Ca 0.09 -4.35 0.00 0.00 -1.94 0.00 0.00 57.00 50.80 2qgf n GLN 35 Cb 0.47 -2.17 0.00 0.00 0.11 0.00 0.00 30.24 28.66 2qgf n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2qgf n PRO 36 N 1.72 0.00 -0.64 -1.09 -0.04 -1.25 -2.54 135.00 131.16 2qgf n PRO 36 Ca 0.24 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2qgf n PRO 36 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2qgf n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2qgf n GLU 37 N -1.05 0.00 -0.16 0.54 1.02 -1.24 -2.97 120.64 116.78 2qgf n GLU 37 Ca 0.00 -1.05 -0.10 0.00 -0.02 0.00 0.00 57.16 56.00 2qgf n GLU 37 Cb 0.00 -0.37 -0.00 0.00 -0.02 0.00 0.00 31.44 31.05 2qgf n GLU 37 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2qgf h LEU 38 N 0.14 0.75 -3.70 -4.62 5.85 -1.18 -3.11 115.31 109.44 2qgf h LEU 38 Ca -0.04 -0.27 -0.25 0.00 0.84 0.00 0.00 57.88 58.16 2qgf h LEU 38 Cb 1.43 -0.20 -0.15 0.00 0.37 0.00 0.00 40.66 42.11 2qgf h LEU 38 CO 0.01 0.84 0.28 0.18 -0.34 0.00 0.00 178.44 179.41 2qgf n LEU 39 N -4.43 5.81 -4.76 2.25 4.77 0.27 -5.01 117.00 115.91 2qgf n LEU 39 Ca 0.01 -3.35 -0.37 0.00 -0.03 0.00 0.00 56.01 52.27 2qgf n LEU 39 Cb 0.26 -0.73 0.02 0.00 -2.33 0.00 0.00 43.42 40.64 2qgf n LEU 39 CO 0.40 0.90 0.86 -1.59 -1.33 0.00 0.00 177.39 176.63 2qgf s LYS 40 N -3.07 3.24 0.00 3.23 -2.85 -1.18 -2.06 119.74 117.05 2qgf s LYS 40 Ca 0.53 1.87 0.00 0.00 -1.00 0.00 0.00 55.97 57.38 2qgf s LYS 40 Cb 0.44 -2.12 0.00 0.00 -2.06 0.00 0.00 37.83 34.09 2qgf s LYS 40 CO 0.11 -1.01 0.00 0.72 0.10 0.00 0.00 175.35 175.27 2qgf n HIS 41 N -1.18 0.00 -3.25 1.78 8.25 -1.26 -4.95 115.22 114.61 2qgf n HIS 41 Ca 0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.19 2qgf n HIS 41 Cb 0.48 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.54 2qgf n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2qgf s LYS 42 N -0.09 4.25 -0.12 -0.41 -0.14 -0.87 -4.97 119.74 117.39 2qgf s LYS 42 Ca 0.00 0.72 0.00 0.00 -1.36 0.00 0.00 55.97 55.33 2qgf s LYS 42 Cb 0.00 -3.29 -0.02 0.00 -1.68 0.00 0.00 37.83 32.84 2qgf s LYS 42 CO 0.00 0.50 -0.13 0.08 -0.76 0.00 0.00 175.35 175.04 2qgf s VAL 43 N -0.62 3.07 -0.00 3.17 1.01 -1.26 -0.88 120.40 124.89 2qgf s VAL 43 Ca 0.30 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.67 2qgf s VAL 43 Cb -0.19 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 2qgf s VAL 43 CO 0.18 0.53 -0.19 -0.63 0.00 0.00 0.00 175.10 174.99 2qgf s ILE 44 N 0.23 1.51 -0.26 2.22 1.01 -0.04 -0.21 121.20 125.64 2qgf s ILE 44 Ca -0.08 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.57 2qgf s ILE 44 Cb -0.15 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 2qgf s ILE 44 CO 0.05 0.36 0.15 0.00 0.00 0.00 0.00 174.94 175.50 2qgf s ALA 45 N -0.53 3.43 -0.62 9.38 0.00 -1.08 -1.74 121.76 130.60 2qgf s ALA 45 Ca 0.07 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 2qgf s ALA 45 Cb -0.08 -2.34 0.13 0.00 0.00 0.00 0.00 23.12 20.84 2qgf s ALA 45 CO -0.00 -0.48 0.65 0.45 0.00 0.00 0.00 175.76 176.38 2qgf s SER 46 N 1.61 6.30 -0.67 0.00 0.15 -0.16 -0.87 113.70 120.05 2qgf s SER 46 Ca 0.07 -1.81 -0.11 0.00 0.70 0.00 0.00 55.95 54.80 2qgf s SER 46 Cb -0.15 -2.25 0.17 0.00 -1.71 0.00 0.00 66.02 62.08 2qgf s SER 46 CO 0.08 -0.92 0.58 0.00 1.20 0.00 0.00 173.24 174.17 2qgf s PHE 48 N 0.58 3.84 0.26 0.00 0.40 -0.20 -2.03 117.98 120.83 2qgf s PHE 48 Ca 0.13 -2.12 0.25 0.00 -0.60 0.00 0.00 56.93 54.59 2qgf s PHE 48 Cb -0.19 -3.86 1.15 0.00 0.51 0.00 0.00 43.02 40.63 2qgf s PHE 48 CO -0.04 -1.02 1.93 0.74 0.70 0.00 0.00 175.22 177.53 2qgf h PHE 49 N 7.57 0.00 -3.12 0.36 -1.00 -1.54 1.71 116.94 120.92 2qgf h PHE 49 Ca 0.13 0.00 -0.65 0.00 2.81 0.00 0.00 57.97 60.27 2qgf h PHE 49 Cb 1.00 0.00 -0.35 0.00 3.61 0.00 0.00 35.95 40.21 2qgf h PHE 49 CO 0.98 0.19 -0.85 -2.00 -1.61 0.00 0.00 178.31 175.02 2qgf s GLU 50 N -3.88 2.74 0.33 1.51 2.12 -1.16 -3.64 118.70 116.72 2qgf s GLU 50 Ca -0.01 -0.74 -0.29 0.00 0.36 0.00 0.00 54.97 54.30 2qgf s GLU 50 Cb 0.12 -2.36 -0.10 0.00 0.26 0.00 0.00 34.13 32.04 2qgf s GLU 50 CO 0.61 -0.17 1.33 0.00 -0.54 0.00 0.00 175.26 176.49 2qgf s ALA 51 N 1.24 3.51 -0.46 6.30 0.00 -1.26 -4.62 121.76 126.47 2qgf s ALA 51 Ca 0.02 1.30 0.06 0.00 0.00 0.00 0.00 51.96 53.34 2qgf s ALA 51 Cb -0.14 -3.50 0.19 0.00 0.00 0.00 0.00 23.12 19.68 2qgf s ALA 51 CO -0.10 -0.69 0.71 0.45 0.00 0.00 0.00 175.76 176.13 2qgf s SER 52 N -0.42 -1.42 0.17 0.00 0.15 -1.26 -4.99 113.70 105.94 2qgf s SER 52 Ca 0.50 -1.19 -0.18 0.00 0.70 0.00 0.00 55.95 55.78 2qgf s SER 52 Cb -0.41 1.83 0.11 0.00 -1.71 0.00 0.00 66.02 65.85 2qgf s SER 52 CO 0.54 -0.10 1.65 0.74 1.20 0.00 0.00 173.24 177.26 2qgf h THR 53 N 4.87 0.48 -0.04 6.45 2.02 -1.98 -0.28 112.91 124.42 2qgf h THR 53 Ca 0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.25 2qgf h THR 53 Cb 1.15 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 2qgf h THR 53 CO 0.05 0.00 -0.06 -0.09 0.37 0.00 0.00 175.52 175.79 2qgf h ARG 54 N -0.07 -0.08 -0.65 6.66 2.43 -2.00 -0.16 114.38 120.51 2qgf h ARG 54 Ca 0.21 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 2qgf h ARG 54 Cb 0.38 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2qgf h ARG 54 CO -0.47 -0.06 0.20 1.15 -1.51 0.00 0.00 179.97 179.28 2qgf h THR 55 N -0.09 1.24 -0.09 0.20 2.02 -1.92 -2.83 112.91 111.44 2qgf h THR 55 Ca 0.04 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 2qgf h THR 55 Cb 0.14 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2qgf h THR 55 CO -0.09 0.32 -0.06 -0.09 0.37 0.00 0.00 175.52 175.97 2qgf h ARG 56 N 0.96 0.20 -0.67 6.66 2.43 -0.77 -1.65 114.38 121.53 2qgf h ARG 56 Ca 0.21 -0.10 0.09 0.00 -0.81 0.00 0.00 59.98 59.38 2qgf h ARG 56 Cb 0.28 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.76 2qgf h ARG 56 CO -0.01 0.59 0.31 -0.07 -1.51 0.00 0.00 179.97 179.28 2qgf h LEU 57 N -0.19 0.38 -0.17 3.80 3.38 -1.03 -0.38 115.31 121.10 2qgf h LEU 57 Ca 0.02 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2qgf h LEU 57 Cb 0.54 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2qgf h LEU 57 CO 0.02 0.22 0.01 -1.28 0.09 0.00 0.00 178.44 177.49 2qgf h SER 58 N 0.53 0.28 -0.31 -0.43 0.87 -1.48 -0.92 113.55 112.09 2qgf h SER 58 Ca 0.33 -0.30 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2qgf h SER 58 Cb 0.37 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2qgf h SER 58 CO -0.28 0.51 0.19 -0.26 -0.53 0.00 0.00 176.83 176.46 2qgf h PHE 59 N 0.04 0.36 -0.04 2.24 0.05 -1.05 -0.93 116.94 117.61 2qgf h PHE 59 Ca 0.05 0.01 -0.10 0.00 3.82 0.00 0.00 57.97 61.75 2qgf h PHE 59 Cb 0.36 -0.12 -0.01 0.00 2.00 0.00 0.00 35.95 38.18 2qgf h PHE 59 CO 0.03 0.21 -0.42 0.93 -0.18 0.00 0.00 178.31 178.88 2qgf h GLU 60 N 0.39 0.08 -0.24 1.51 5.08 -1.06 -1.12 114.58 119.22 2qgf h GLU 60 Ca 0.12 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2qgf h GLU 60 Cb -0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2qgf h GLU 60 CO -0.05 0.49 -0.07 1.15 -1.00 0.00 0.00 179.01 179.53 2qgf h THR 61 N 0.07 1.29 -0.68 1.13 2.02 -0.98 -1.71 112.91 114.05 2qgf h THR 61 Ca 0.00 -1.09 0.11 0.00 0.77 0.00 0.00 66.41 66.20 2qgf h THR 61 Cb 0.78 1.51 -0.08 0.00 -1.74 0.00 0.00 68.15 68.63 2qgf h THR 61 CO 0.06 0.34 0.28 0.28 0.37 0.00 0.00 175.52 176.85 2qgf h SER 62 N 0.20 0.30 -0.76 4.18 0.02 -0.44 -0.24 113.55 116.81 2qgf h SER 62 Ca 0.06 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2qgf h SER 62 Cb 0.54 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2qgf h SER 62 CO 0.03 0.16 0.31 0.24 -1.14 0.00 0.00 176.83 176.43 2qgf h MET 63 N 0.47 1.14 0.00 3.45 2.07 -1.02 -2.70 114.93 118.33 2qgf h MET 63 Ca 0.35 -0.20 -0.09 0.00 -2.07 0.00 0.00 59.70 57.68 2qgf h MET 63 Cb 0.44 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 2qgf h MET 63 CO -0.32 0.92 -0.45 0.45 1.07 0.00 0.00 176.91 178.59 2qgf h HIS 64 N 1.10 0.00 0.00 -0.22 3.86 -0.36 -2.27 115.15 117.25 2qgf h HIS 64 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2qgf h HIS 64 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2qgf h HIS 64 CO 0.02 0.45 0.00 0.54 0.86 0.00 0.00 177.93 179.79 2qgf n ARG 65 N -3.71 0.05 -0.00 2.45 5.12 -0.19 -2.45 116.66 117.93 2qgf n ARG 65 Ca -0.01 0.19 0.07 0.00 -1.93 0.00 0.00 57.85 56.17 2qgf n ARG 65 Cb 0.52 -1.57 0.06 0.00 -1.16 0.00 0.00 32.46 30.31 2qgf n ARG 65 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2qgf n LEU 66 N -1.65 2.18 0.00 0.55 4.77 -1.02 -3.78 117.00 118.05 2qgf n LEU 66 Ca 0.05 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 2qgf n LEU 66 Cb 0.25 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2qgf n LEU 66 CO 0.20 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2qgf n GLY 67 N 0.78 0.72 3.86 -0.72 0.00 -1.02 -0.56 105.19 108.25 2qgf n GLY 67 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2qgf n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qgf s ALA 68 N -2.63 3.01 0.23 4.61 0.00 -0.89 -3.88 121.76 122.22 2qgf s ALA 68 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.95 2qgf s ALA 68 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 2qgf s ALA 68 CO 0.00 -0.74 0.41 -1.12 0.00 0.00 0.00 175.76 174.31 2qgf s SER 69 N -3.95 6.36 -0.05 0.00 0.01 -0.06 -4.39 113.70 111.62 2qgf s SER 69 Ca 0.56 0.35 0.02 0.00 1.31 0.00 0.00 55.95 58.19 2qgf s SER 69 Cb -0.12 -1.99 0.02 0.00 0.21 0.00 0.00 66.02 64.14 2qgf s SER 69 CO 0.51 -0.09 -0.08 -0.69 0.41 0.00 0.00 173.24 173.31 2qgf s VAL 70 N -1.97 0.75 0.08 3.43 1.01 -1.26 -0.86 120.40 121.58 2qgf s VAL 70 Ca 0.38 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.14 2qgf s VAL 70 Cb -0.10 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2qgf s VAL 70 CO 0.30 0.26 -0.15 0.68 0.00 0.00 0.00 175.10 176.20 2qgf s VAL 71 N 0.68 1.21 -1.64 2.92 -7.23 -0.71 -4.96 120.40 110.67 2qgf s VAL 71 Ca -0.11 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2qgf s VAL 71 Cb -0.14 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.61 2qgf s VAL 71 CO 0.01 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 2qgf n GLY 72 N 1.14 -1.00 3.50 2.32 0.00 -1.26 -0.99 105.19 108.90 2qgf n GLY 72 Ca -0.20 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 2qgf n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qgf s PHE 73 N -3.00 -0.60 -0.06 1.61 -0.12 -0.52 -4.94 117.98 110.36 2qgf s PHE 73 Ca 0.00 0.86 0.04 0.00 -0.05 0.00 0.00 56.93 57.78 2qgf s PHE 73 Cb 0.00 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 2qgf s PHE 73 CO 0.00 -0.65 -0.16 0.45 -0.05 0.00 0.00 175.22 174.81 2qgf s SER 74 N -1.62 3.87 0.23 1.98 0.15 -1.26 -1.04 113.70 116.02 2qgf s SER 74 Ca -0.07 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.33 2qgf s SER 74 Cb -0.00 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 2qgf s SER 74 CO 0.03 0.32 0.00 -0.67 1.20 0.00 0.00 173.24 174.12 2qgf n ASP 75 N 2.50 -3.74 -3.64 5.45 -0.08 0.58 -4.94 116.55 112.69 2qgf n ASP 75 Ca -0.17 0.51 -0.05 0.00 -1.51 0.00 0.00 54.79 53.57 2qgf n ASP 75 Cb 0.52 -2.96 -0.07 0.00 2.34 0.00 0.00 41.12 40.96 2qgf n ASP 75 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2qgf s SER 76 N -5.16 -0.80 0.00 1.67 0.01 -1.24 -4.81 113.70 103.37 2qgf s SER 76 Ca 0.00 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.52 2qgf s SER 76 Cb 0.00 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.61 2qgf s SER 76 CO 0.00 -0.20 0.00 0.00 0.41 0.00 0.00 173.24 173.45 2qgf n ALA 77 N 4.18 0.00 -2.00 1.44 0.00 -1.26 -4.98 120.51 117.89 2qgf n ALA 77 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2qgf n ALA 77 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2qgf n ALA 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qgf n ASN 78 N 0.00 0.00 0.05 0.00 2.85 -1.26 -4.53 115.26 112.37 2qgf n ASN 78 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2qgf n ASN 78 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2qgf n ASN 78 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2qgf n THR 79 N 0.00 0.31 -1.49 -0.44 -2.24 -1.26 -4.93 114.28 104.23 2qgf n THR 79 Ca 0.00 0.10 0.06 0.00 -2.27 0.00 0.00 64.05 61.94 2qgf n THR 79 Cb 0.00 -0.77 0.08 0.00 -2.10 0.00 0.00 70.33 67.54 2qgf n THR 79 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2qgf n SER 80 N -3.00 1.37 0.00 3.42 7.64 -1.26 -4.98 113.62 116.81 2qgf n SER 80 Ca 0.00 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.21 2qgf n SER 80 Cb 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2qgf n SER 80 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2qgf n LEU 81 N -0.81 0.00 0.00 -3.43 4.77 -1.26 -5.18 117.00 111.09 2qgf n LEU 81 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2qgf n LEU 81 Cb 0.68 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 2qgf n LEU 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2qgf n GLY 82 N 0.00 -0.88 0.00 -0.72 0.00 -1.26 -4.58 105.19 97.75 2qgf n GLY 82 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2qgf n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qgf n LYS 83 N 0.00 0.00 0.00 1.61 5.02 -1.26 -4.28 118.16 119.25 2qgf n LYS 83 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qgf n LYS 83 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2qgf n LYS 83 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2qgf n LYS 84 N 0.00 0.00 -3.54 1.97 3.00 -1.26 -5.15 118.16 113.18 2qgf n LYS 84 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 2qgf n LYS 84 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 2qgf n LYS 84 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2qgf s GLY 85 N -0.27 -0.47 0.00 3.14 0.00 -1.26 -5.11 107.32 103.35 2qgf s GLY 85 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.33 2qgf s GLY 85 CO 0.00 0.30 0.00 -2.21 0.00 0.00 0.00 173.10 171.19 2qgf n GLU 86 N 0.26 0.00 -1.05 2.90 4.07 -1.26 -5.17 120.64 120.39 2qgf n GLU 86 Ca -0.18 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.61 2qgf n GLU 86 Cb 0.61 0.00 0.12 0.00 -0.06 0.00 0.00 31.44 32.11 2qgf n GLU 86 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2qgf s THR 87 N 0.00 2.83 0.27 6.31 -4.23 -1.26 -4.90 115.64 114.66 2qgf s THR 87 Ca 0.00 0.27 -0.00 0.00 -1.18 0.00 0.00 61.69 60.77 2qgf s THR 87 Cb 0.00 -2.59 0.11 0.00 1.34 0.00 0.00 72.50 71.36 2qgf s THR 87 CO 0.00 -0.35 1.76 0.25 -0.54 0.00 0.00 174.62 175.74 2qgf h LEU 88 N -1.44 0.68 0.06 4.79 5.85 -2.01 -2.44 115.31 120.79 2qgf h LEU 88 Ca -0.44 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.13 2qgf h LEU 88 Cb 1.25 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 2qgf h LEU 88 CO 0.48 0.78 -0.34 0.00 -0.34 0.00 0.00 178.44 179.02 2qgf h ALA 89 N 1.29 -0.55 -0.85 1.25 0.00 -1.93 0.07 119.26 118.55 2qgf h ALA 89 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qgf h ALA 89 Cb 0.48 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2qgf h ALA 89 CO 0.02 -0.87 0.48 -0.44 0.00 0.00 0.00 179.25 178.44 2qgf h ASP 90 N -0.53 1.04 -0.82 0.00 3.45 -1.89 -0.50 116.42 117.17 2qgf h ASP 90 Ca 0.04 -0.09 0.08 0.00 0.43 0.00 0.00 57.03 57.50 2qgf h ASP 90 Cb 0.59 -0.26 -0.07 0.00 -0.56 0.00 0.00 39.33 39.03 2qgf h ASP 90 CO -0.24 0.83 0.48 0.74 -1.57 0.00 0.00 179.24 179.48 2qgf h THR 91 N 1.17 0.96 -0.01 0.35 2.02 -0.94 0.84 112.91 117.31 2qgf h THR 91 Ca 0.30 -0.29 -0.23 0.00 0.77 0.00 0.00 66.41 66.96 2qgf h THR 91 Cb -0.00 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.46 2qgf h THR 91 CO -0.05 0.15 -0.95 0.40 0.37 0.00 0.00 175.52 175.44 2qgf h ILE 92 N 0.85 1.38 -0.35 3.11 1.08 -0.65 -1.70 117.51 121.23 2qgf h ILE 92 Ca 0.38 -2.40 -0.01 0.00 -0.39 0.00 0.00 64.86 62.44 2qgf h ILE 92 Cb 0.27 2.39 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 2qgf h ILE 92 CO -0.21 0.72 0.18 0.28 -0.69 0.00 0.00 178.15 178.43 2qgf h SER 93 N 0.26 0.43 0.06 1.72 0.02 -0.67 0.51 113.55 115.89 2qgf h SER 93 Ca -0.09 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2qgf h SER 93 Cb 1.59 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.02 2qgf h SER 93 CO 0.17 0.36 -0.03 0.58 -1.14 0.00 0.00 176.83 176.77 2qgf h VAL 94 N 0.49 0.20 -0.86 2.27 2.07 -0.72 -3.35 116.25 116.35 2qgf h VAL 94 Ca 0.13 -1.08 0.17 0.00 0.82 0.00 0.00 66.70 66.73 2qgf h VAL 94 Cb 0.04 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.12 2qgf h VAL 94 CO -0.02 0.07 0.56 0.40 0.02 0.00 0.00 177.57 178.60 2qgf h ILE 95 N -1.01 0.76 0.00 4.57 2.04 -1.31 0.11 117.51 122.67 2qgf h ILE 95 Ca -0.01 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2qgf h ILE 95 Cb 0.17 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2qgf h ILE 95 CO 0.01 0.09 0.17 0.28 0.00 0.00 0.00 178.15 178.71 2qgf h SER 96 N 0.51 0.00 0.27 1.72 0.02 -1.01 -1.44 113.55 113.62 2qgf h SER 96 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2qgf h SER 96 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2qgf h SER 96 CO -0.18 0.00 -0.33 0.35 -1.14 0.00 0.00 176.83 175.54 2qgf n THR 97 N -2.44 0.00 -0.09 -2.27 -2.24 0.03 -4.54 114.28 102.73 2qgf n THR 97 Ca -0.02 -0.11 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 2qgf n THR 97 Cb 0.21 0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 68.79 2qgf n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2qgf n TYR 98 N -0.79 0.00 -3.80 4.78 0.53 -0.55 -5.08 117.16 112.26 2qgf n TYR 98 Ca 0.11 0.00 -0.21 0.00 -1.02 0.00 0.00 57.90 56.78 2qgf n TYR 98 Cb 0.35 -0.66 -0.03 0.00 -1.03 0.00 0.00 39.34 37.98 2qgf n TYR 98 CO 0.00 0.00 0.00 0.14 -1.02 0.00 0.00 176.86 175.98 2qgf s VAL 99 N -2.34 4.10 -0.84 -0.72 -7.23 -1.19 -4.92 120.40 107.25 2qgf s VAL 99 Ca -0.24 -1.22 0.24 0.00 -1.81 0.00 0.00 61.98 58.95 2qgf s VAL 99 Cb 0.07 -3.38 -0.07 0.00 0.56 0.00 0.00 36.38 33.57 2qgf s VAL 99 CO 0.37 -0.22 1.20 0.47 -0.31 0.00 0.00 175.10 176.60 2qgf n ASP 100 N -1.42 0.63 -3.50 4.85 8.00 0.70 -4.90 116.55 120.92 2qgf n ASP 100 Ca -0.03 -0.32 -0.13 0.00 0.71 0.00 0.00 54.79 55.02 2qgf n ASP 100 Cb 0.59 0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 42.19 2qgf n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qgf s ALA 101 N -3.08 -1.76 -0.13 2.24 0.00 -1.26 -4.29 121.76 113.48 2qgf s ALA 101 Ca 0.08 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.10 2qgf s ALA 101 Cb 0.16 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.53 2qgf s ALA 101 CO 0.76 -0.55 -0.15 0.42 0.00 0.00 0.00 175.76 176.24 2qgf s ILE 102 N -2.40 1.56 -0.17 0.00 1.01 -0.18 -2.62 121.20 118.40 2qgf s ILE 102 Ca -0.02 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 2qgf s ILE 102 Cb -0.01 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 2qgf s ILE 102 CO -0.03 0.46 0.08 -0.69 0.00 0.00 0.00 174.94 174.76 2qgf s VAL 103 N 1.30 4.97 -0.08 2.92 1.01 -0.05 -0.16 120.40 130.31 2qgf s VAL 103 Ca 0.01 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 2qgf s VAL 103 Cb -0.14 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.05 2qgf s VAL 103 CO -0.07 0.49 0.30 0.00 0.00 0.00 0.00 175.10 175.81 2qgf s MET 104 N 0.10 0.47 -0.03 2.72 0.00 -0.65 -1.01 119.30 120.90 2qgf s MET 104 Ca 0.06 0.17 0.06 0.00 0.00 0.00 0.00 55.69 55.99 2qgf s MET 104 Cb -0.12 0.22 -0.02 0.00 0.00 0.00 0.00 34.83 34.91 2qgf s MET 104 CO 0.00 -0.09 -0.21 0.50 0.00 0.00 0.00 175.02 175.22 2qgf s ARG 105 N -0.43 2.26 -0.05 3.16 3.52 -0.86 -0.94 118.95 125.60 2qgf s ARG 105 Ca -0.05 -0.84 -0.17 0.00 -0.13 0.00 0.00 55.73 54.53 2qgf s ARG 105 Cb -0.04 -2.18 0.03 0.00 -1.56 0.00 0.00 34.95 31.21 2qgf s ARG 105 CO 0.02 0.58 0.38 -1.58 -0.81 0.00 0.00 175.30 173.89 2qgf s HIS 106 N -0.67 -0.31 0.24 5.12 2.46 0.96 -1.52 115.29 121.57 2qgf s HIS 106 Ca 0.11 0.59 0.22 0.00 0.47 0.00 0.00 55.06 56.45 2qgf s HIS 106 Cb -0.10 0.15 0.98 0.00 -0.13 0.00 0.00 32.58 33.48 2qgf s HIS 106 CO -0.00 -0.37 1.87 -1.00 -2.47 0.00 0.00 174.74 172.76 2qgf h PRO 107 N 4.17 0.00 -5.83 2.88 0.13 -1.87 0.09 132.00 131.57 2qgf h PRO 107 Ca -0.29 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.21 2qgf h PRO 107 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 2qgf h PRO 107 CO 0.36 0.25 -0.37 -0.65 -0.23 0.00 0.00 178.00 177.36 2qgf s GLN 108 N -3.83 3.62 0.31 0.86 -0.21 -1.26 -3.66 119.66 115.48 2qgf s GLN 108 Ca -0.01 0.04 -0.29 0.00 0.02 0.00 0.00 55.36 55.13 2qgf s GLN 108 Cb 0.12 -3.16 -0.10 0.00 1.00 0.00 0.00 33.01 30.86 2qgf s GLN 108 CO 0.64 0.72 1.29 -1.21 -2.12 0.00 0.00 175.29 174.61 2qgf s GLU 109 N -1.26 4.38 0.00 2.91 8.01 -1.26 -3.21 118.70 128.28 2qgf s GLU 109 Ca 0.21 2.17 0.00 0.00 0.01 0.00 0.00 54.97 57.36 2qgf s GLU 109 Cb -0.14 -3.10 0.00 0.00 -4.31 0.00 0.00 34.13 26.59 2qgf s GLU 109 CO 0.10 -0.16 0.00 0.41 0.01 0.00 0.00 175.26 175.62 2qgf n GLY 110 N 1.05 0.81 0.33 -1.39 0.00 -1.26 -4.95 105.19 99.78 2qgf n GLY 110 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 2qgf n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qgf h ALA 111 N 0.00 1.05 -0.11 4.61 0.00 -1.90 -1.37 119.26 121.53 2qgf h ALA 111 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 2qgf h ALA 111 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2qgf h ALA 111 CO 0.00 0.55 -0.53 0.00 0.00 0.00 0.00 179.25 179.27 2qgf h ALA 112 N 1.24 0.88 -0.34 0.00 0.00 -1.92 -2.17 119.26 116.94 2qgf h ALA 112 Ca 0.29 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2qgf h ALA 112 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2qgf h ALA 112 CO -0.05 0.68 -0.19 -0.09 0.00 0.00 0.00 179.25 179.61 2qgf h ARG 113 N 0.25 0.73 -0.33 0.00 9.65 -1.86 -2.89 114.38 119.93 2qgf h ARG 113 Ca 0.01 -0.33 -0.06 0.00 -1.10 0.00 0.00 59.98 58.49 2qgf h ARG 113 Cb 1.02 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.57 2qgf h ARG 113 CO 0.09 0.94 -0.07 1.25 2.80 0.00 0.00 179.97 184.98 2qgf h LEU 114 N 0.51 0.52 -1.12 3.80 6.46 -1.13 -2.82 115.31 121.53 2qgf h LEU 114 Ca 0.07 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2qgf h LEU 114 Cb 0.73 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.49 2qgf h LEU 114 CO 0.05 0.63 0.51 0.00 -0.62 0.00 0.00 178.44 179.02 2qgf h ALA 115 N 1.42 1.34 0.00 1.25 0.00 -1.19 -1.45 119.26 120.64 2qgf h ALA 115 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qgf h ALA 115 Cb 0.43 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qgf h ALA 115 CO 0.02 0.58 0.00 1.79 0.00 0.00 0.00 179.25 181.64 2qgf h THR 116 N 1.14 0.00 0.00 0.00 1.35 -1.37 -0.26 112.91 113.77 2qgf h THR 116 Ca 0.30 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 2qgf h THR 116 Cb -0.07 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 2qgf h THR 116 CO -0.06 0.00 -0.13 -0.62 -0.25 0.00 0.00 175.52 174.46 2qgf n GLU 117 N -2.88 0.10 0.00 4.72 1.02 -0.55 -3.87 120.64 119.18 2qgf n GLU 117 Ca -0.02 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2qgf n GLU 117 Cb 0.12 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 2qgf n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2qgf n PHE 118 N -1.76 0.00 1.29 -0.32 3.01 -0.25 -4.76 117.46 114.67 2qgf n PHE 118 Ca 0.06 -0.04 0.13 0.00 1.01 0.00 0.00 57.45 58.61 2qgf n PHE 118 Cb 0.37 -0.00 0.35 0.00 -0.01 0.00 0.00 39.48 40.19 2qgf n PHE 118 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2qgf n SER 119 N -0.04 1.73 0.00 4.37 3.41 -0.39 -3.88 113.62 118.82 2qgf n SER 119 Ca 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 2qgf n SER 119 Cb 0.09 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2qgf n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qgf n GLY 120 N 1.28 3.43 1.04 5.00 0.00 -1.26 -2.08 105.19 112.60 2qgf n GLY 120 Ca 0.15 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2qgf n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qgf n ASN 121 N 8.51 3.10 -4.66 1.61 6.94 -1.26 -4.89 115.26 124.61 2qgf n ASN 121 Ca 0.00 -1.94 -0.40 0.00 -0.02 0.00 0.00 54.58 52.21 2qgf n ASN 121 Cb 0.00 -0.26 -0.06 0.00 -2.36 0.00 0.00 39.78 37.10 2qgf n ASN 121 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2qgf s VAL 122 N -1.48 5.01 0.29 3.53 1.01 -0.88 -5.03 120.40 122.84 2qgf s VAL 122 Ca 0.38 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 2qgf s VAL 122 Cb 0.22 -3.96 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2qgf s VAL 122 CO 0.30 0.10 1.15 -2.16 0.00 0.00 0.00 175.10 174.49 2qgf s PRO 123 N 1.95 4.57 -0.19 2.72 0.04 -1.26 -4.83 135.00 138.00 2qgf s PRO 123 Ca 0.29 1.91 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 2qgf s PRO 123 Cb -0.16 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 2qgf s PRO 123 CO 0.10 0.11 0.01 0.08 0.04 0.00 0.00 177.00 177.35 2qgf s VAL 124 N -1.14 4.18 -0.18 -0.36 1.01 -1.26 -1.01 120.40 121.63 2qgf s VAL 124 Ca 0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 2qgf s VAL 124 Cb -0.34 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 2qgf s VAL 124 CO 0.44 0.45 -0.11 -0.76 0.00 0.00 0.00 175.10 175.12 2qgf s LEU 125 N 0.71 2.65 -0.32 3.92 1.02 0.77 -2.37 118.68 125.06 2qgf s LEU 125 Ca 0.01 -0.44 -0.29 0.00 0.02 0.00 0.00 54.13 53.43 2qgf s LEU 125 Cb -0.14 -1.64 0.02 0.00 0.02 0.00 0.00 46.19 44.45 2qgf s LEU 125 CO 0.02 0.04 1.06 0.21 0.02 0.00 0.00 176.35 177.70 2qgf s ASN 126 N 1.08 6.92 -0.02 2.29 2.47 -0.41 -1.63 114.94 125.64 2qgf s ASN 126 Ca 0.00 1.04 0.21 0.00 0.42 0.00 0.00 52.86 54.53 2qgf s ASN 126 Cb -0.15 -2.54 0.65 0.00 -1.45 0.00 0.00 41.25 37.77 2qgf s ASN 126 CO -0.03 -0.86 1.55 0.00 -3.72 0.00 0.00 177.10 174.04 2qgf n ALA 127 N 6.82 2.52 0.00 1.71 0.00 -0.12 -4.19 120.51 127.25 2qgf n ALA 127 Ca 0.12 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.19 2qgf n ALA 127 Cb 0.47 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2qgf n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qgf n GLY 128 N 1.48 3.37 2.88 0.00 0.00 -1.25 -4.74 105.19 106.93 2qgf n GLY 128 Ca 0.24 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 2qgf n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2qgf s ASP 129 N 0.00 4.24 0.76 1.61 -4.77 -0.96 -0.03 116.67 117.52 2qgf s ASP 129 Ca 0.00 -3.19 0.00 0.00 -3.30 0.00 0.00 52.55 46.06 2qgf s ASP 129 Cb 0.00 -1.49 0.00 0.00 -1.09 0.00 0.00 42.92 40.34 2qgf s ASP 129 CO 0.00 -0.19 0.00 0.61 0.70 0.00 0.00 175.17 176.29 2qgf n GLY 130 N 2.85 1.16 0.00 2.12 0.00 0.02 -1.34 105.19 110.00 2qgf n GLY 130 Ca 0.11 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.59 2qgf n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qgf n SER 131 N -2.87 0.00 0.00 1.61 3.41 -1.26 -4.49 113.62 110.02 2qgf n SER 131 Ca 0.00 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 2qgf n SER 131 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qgf n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2qgf n ASN 132 N -0.65 0.00 -4.60 4.04 5.15 -0.45 -4.81 115.26 113.95 2qgf n ASN 132 Ca 0.05 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.77 2qgf n ASN 132 Cb 0.02 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.17 2qgf n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2qgf s GLN 133 N 0.00 1.93 -0.45 1.20 -1.52 -1.25 -4.94 119.66 114.63 2qgf s GLN 133 Ca 0.00 -1.95 0.06 0.00 -1.95 0.00 0.00 55.36 51.52 2qgf s GLN 133 Cb 0.00 -1.75 0.32 0.00 -0.22 0.00 0.00 33.01 31.36 2qgf s GLN 133 CO 0.00 0.07 1.12 1.58 -0.25 0.00 0.00 175.29 177.81 2qgf n HIS 134 N -0.90 -2.75 -0.36 0.91 -0.00 -1.26 -2.27 115.22 108.58 2qgf n HIS 134 Ca -0.05 -2.02 0.04 0.00 -0.00 0.00 0.00 57.72 55.69 2qgf n HIS 134 Cb 0.64 1.61 0.11 0.00 -0.00 0.00 0.00 29.99 32.35 2qgf n HIS 134 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2qgf n PRO 135 N 0.44 -0.13 0.22 1.57 -0.02 -1.26 -1.82 135.00 134.00 2qgf n PRO 135 Ca 0.05 1.52 0.07 0.00 -2.02 0.00 0.00 63.50 63.12 2qgf n PRO 135 Cb 0.70 -2.27 0.52 0.00 -0.02 0.00 0.00 33.50 32.44 2qgf n PRO 135 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2qgf h THR 136 N 0.00 0.99 -0.20 3.45 1.35 -1.95 -2.20 112.91 114.34 2qgf h THR 136 Ca 0.43 -0.80 -0.13 0.00 -0.55 0.00 0.00 66.41 65.35 2qgf h THR 136 Cb 0.67 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 2qgf h THR 136 CO -1.00 0.22 -0.43 -0.61 -0.25 0.00 0.00 175.52 173.45 2qgf h GLN 137 N 0.00 0.49 -0.16 4.72 5.75 -1.73 -1.72 115.11 122.46 2qgf h GLN 137 Ca -0.00 -0.26 -0.16 0.00 -0.15 0.00 0.00 58.65 58.08 2qgf h GLN 137 Cb 0.44 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 2qgf h GLN 137 CO 0.03 0.84 -0.57 1.15 -2.65 0.00 0.00 178.83 177.62 2qgf h THR 138 N 0.40 1.33 -0.48 2.39 2.02 -1.47 -1.66 112.91 115.45 2qgf h THR 138 Ca 0.03 -1.84 -0.13 0.00 0.77 0.00 0.00 66.41 65.24 2qgf h THR 138 Cb 0.92 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 2qgf h THR 138 CO 0.08 0.57 -0.22 -0.07 0.37 0.00 0.00 175.52 176.25 2qgf h LEU 139 N 0.39 1.02 -0.96 2.58 3.38 -1.29 0.35 115.31 120.77 2qgf h LEU 139 Ca 0.00 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 2qgf h LEU 139 Cb 1.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2qgf h LEU 139 CO 0.10 1.19 -0.04 0.25 0.09 0.00 0.00 178.44 180.03 2qgf h LEU 140 N 0.84 0.68 -0.02 1.67 6.46 -1.19 -0.45 115.31 123.31 2qgf h LEU 140 Ca 0.11 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2qgf h LEU 140 Cb 0.80 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 2qgf h LEU 140 CO 0.07 0.78 -0.03 0.44 -0.62 0.00 0.00 178.44 179.08 2qgf h ASP 141 N 0.66 0.06 -0.91 1.25 3.32 -1.09 -1.95 116.42 117.76 2qgf h ASP 141 Ca 0.13 -0.56 0.08 0.00 0.02 0.00 0.00 57.03 56.69 2qgf h ASP 141 Cb 0.47 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.94 2qgf h ASP 141 CO 0.02 0.61 0.56 -0.07 -1.72 0.00 0.00 179.24 178.64 2qgf h LEU 142 N -0.49 0.86 -1.38 1.55 3.38 -0.84 -0.05 115.31 118.34 2qgf h LEU 142 Ca 0.00 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2qgf h LEU 142 Cb 0.60 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2qgf h LEU 142 CO 0.01 0.52 -0.27 0.15 0.09 0.00 0.00 178.44 178.94 2qgf h PHE 143 N 0.98 0.07 0.02 1.13 3.04 -0.90 -0.45 116.94 120.83 2qgf h PHE 143 Ca 0.41 -0.01 -0.24 0.00 3.98 0.00 0.00 57.97 62.11 2qgf h PHE 143 Cb 0.27 -0.02 0.01 0.00 2.56 0.00 0.00 35.95 38.77 2qgf h PHE 143 CO -0.03 0.33 -1.01 1.15 -2.02 0.00 0.00 178.31 176.73 2qgf h THR 144 N 0.06 1.38 -0.37 4.41 2.02 -0.50 -1.18 112.91 118.73 2qgf h THR 144 Ca 0.01 -2.47 -0.16 0.00 0.77 0.00 0.00 66.41 64.56 2qgf h THR 144 Cb 0.51 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 2qgf h THR 144 CO 0.04 0.74 -0.39 0.40 0.37 0.00 0.00 175.52 176.68 2qgf h ILE 145 N 0.25 1.27 -0.16 3.11 2.04 -0.50 -2.69 117.51 120.84 2qgf h ILE 145 Ca -0.10 -1.56 -0.08 0.00 1.00 0.00 0.00 64.86 64.12 2qgf h ILE 145 Cb 1.67 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2qgf h ILE 145 CO 0.18 0.52 -0.21 -0.61 0.00 0.00 0.00 178.15 178.03 2qgf h GLN 146 N 0.74 0.42 -0.97 2.37 4.15 -1.15 0.09 115.11 120.77 2qgf h GLN 146 Ca 0.06 -0.24 0.08 0.00 0.77 0.00 0.00 58.65 59.32 2qgf h GLN 146 Cb 0.97 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.61 2qgf h GLN 146 CO 0.09 0.82 0.62 1.49 -1.93 0.00 0.00 178.83 179.93 2qgf h GLU 147 N 0.06 1.04 0.00 1.69 4.81 -1.22 0.10 114.58 121.06 2qgf h GLU 147 Ca 0.02 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 2qgf h GLU 147 Cb 0.77 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 2qgf h GLU 147 CO 0.05 0.69 -1.63 0.25 -0.73 0.00 0.00 179.01 177.64 2qgf n THR 148 N -4.52 0.96 -0.02 0.32 -2.24 -1.01 -4.42 114.28 103.35 2qgf n THR 148 Ca 0.16 -0.67 0.07 0.00 -2.27 0.00 0.00 64.05 61.33 2qgf n THR 148 Cb 0.23 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 67.79 2qgf n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qgf n GLN 149 N -2.74 0.65 -0.44 -0.78 1.13 0.02 -5.00 117.38 110.23 2qgf n GLN 149 Ca -0.12 -0.14 0.00 0.00 -1.94 0.00 0.00 57.00 54.80 2qgf n GLN 149 Cb 0.82 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.74 2qgf n GLN 149 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qgf n GLY 150 N 1.55 0.97 3.72 1.08 0.00 0.36 -5.00 105.19 107.87 2qgf n GLY 150 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 2qgf n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qgf s ARG 151 N -0.44 1.39 0.00 1.61 1.70 -1.25 -5.00 118.95 116.97 2qgf s ARG 151 Ca 0.00 -0.72 0.03 0.00 -0.47 0.00 0.00 55.73 54.57 2qgf s ARG 151 Cb 0.00 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.90 2qgf s ARG 151 CO 0.00 -0.63 0.45 1.28 -1.08 0.00 0.00 175.30 175.32 2qgf n LEU 152 N -0.43 0.92 -4.62 -1.89 4.77 -1.26 -4.26 117.00 110.22 2qgf n LEU 152 Ca -0.07 -0.85 -0.26 0.00 -0.03 0.00 0.00 56.01 54.80 2qgf n LEU 152 Cb 0.61 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 2qgf n LEU 152 CO 0.14 0.21 -0.36 1.51 -1.33 0.00 0.00 177.39 177.55 2qgf s ASP 153 N -0.54 4.53 -1.20 -1.43 -4.77 -1.26 -4.62 116.67 107.38 2qgf s ASP 153 Ca 0.03 -0.51 -0.04 0.00 -3.30 0.00 0.00 52.55 48.72 2qgf s ASP 153 Cb 0.02 -0.87 0.00 0.00 -1.09 0.00 0.00 42.92 40.99 2qgf s ASP 153 CO 0.06 0.08 1.03 0.59 0.70 0.00 0.00 175.17 177.62 2qgf n ASN 154 N -0.21 -4.19 -4.68 2.11 5.03 0.15 -4.93 115.26 108.53 2qgf n ASN 154 Ca -0.09 -0.54 -0.24 0.00 0.87 0.00 0.00 54.58 54.58 2qgf n ASN 154 Cb 0.56 -4.79 -0.07 0.00 -1.02 0.00 0.00 39.78 34.46 2qgf n ASN 154 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2qgf s LEU 155 N -6.52 3.35 -0.39 3.41 1.43 -1.26 -4.92 118.68 113.78 2qgf s LEU 155 Ca 0.29 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 2qgf s LEU 155 Cb -0.13 -1.92 0.07 0.00 0.03 0.00 0.00 46.19 44.25 2qgf s LEU 155 CO 0.68 0.02 0.19 -1.00 0.23 0.00 0.00 176.35 176.48 2qgf s HIS 156 N -2.10 3.36 -0.18 0.29 3.76 -1.26 -1.53 115.29 117.63 2qgf s HIS 156 Ca 0.30 -1.69 -0.02 0.00 -0.15 0.00 0.00 55.06 53.51 2qgf s HIS 156 Cb -0.08 -2.77 -0.01 0.00 1.11 0.00 0.00 32.58 30.83 2qgf s HIS 156 CO 0.20 -0.84 -0.09 0.08 -0.85 0.00 0.00 174.74 173.25 2qgf s VAL 157 N 1.36 3.16 -0.17 -0.90 1.01 -0.21 -0.60 120.40 124.05 2qgf s VAL 157 Ca 0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 2qgf s VAL 157 Cb -0.22 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2qgf s VAL 157 CO 0.01 0.48 -0.02 0.00 0.00 0.00 0.00 175.10 175.56 2qgf s ALA 158 N 0.95 3.02 -0.12 5.51 0.00 -0.46 -1.51 121.76 129.15 2qgf s ALA 158 Ca -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 2qgf s ALA 158 Cb -0.15 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 2qgf s ALA 158 CO -0.00 0.11 -0.09 -1.64 0.00 0.00 0.00 175.76 174.14 2qgf s MET 159 N 0.53 3.34 0.01 0.00 -1.94 -0.27 -0.36 119.30 120.61 2qgf s MET 159 Ca -0.02 -0.60 0.04 0.00 -1.71 0.00 0.00 55.69 53.39 2qgf s MET 159 Cb -0.14 -2.71 -0.01 0.00 2.01 0.00 0.00 34.83 33.97 2qgf s MET 159 CO 0.02 0.32 -0.13 0.08 -0.01 0.00 0.00 175.02 175.31 2qgf s VAL 160 N 0.11 0.99 0.00 -6.03 1.01 0.48 -1.62 120.40 115.34 2qgf s VAL 160 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2qgf s VAL 160 Cb -0.14 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2qgf s VAL 160 CO 0.04 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2qgf n GLY 161 N 2.46 0.06 3.39 4.51 0.00 -1.12 -0.95 105.19 113.53 2qgf n GLY 161 Ca -0.15 -1.68 -0.45 0.00 0.00 0.00 0.00 46.02 43.73 2qgf n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qgf s ASP 162 N -4.00 6.59 0.27 1.61 3.68 -1.26 -4.40 116.67 119.16 2qgf s ASP 162 Ca 0.00 -2.16 0.20 0.00 2.13 0.00 0.00 52.55 52.72 2qgf s ASP 162 Cb 0.00 -2.31 0.10 0.00 -1.45 0.00 0.00 42.92 39.26 2qgf s ASP 162 CO 0.00 -0.89 1.29 -0.07 0.13 0.00 0.00 175.17 175.63 2qgf h LEU 163 N 9.35 0.00 -0.29 -1.34 3.38 -1.48 -2.48 115.31 122.44 2qgf h LEU 163 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2qgf h LEU 163 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2qgf h LEU 163 CO 0.97 0.23 0.01 0.50 0.09 0.00 0.00 178.44 180.25 2qgf h LYS 164 N 0.00 0.50 0.00 1.13 3.64 -0.75 -3.36 116.57 117.73 2qgf h LYS 164 Ca -0.03 -0.15 -0.30 0.00 -1.27 0.00 0.00 60.65 58.90 2qgf h LYS 164 Cb 1.20 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 2qgf h LYS 164 CO 0.03 0.64 -2.25 0.66 -2.27 0.00 0.00 179.45 176.26 2qgf n TYR 165 N -4.60 0.00 -1.47 1.91 4.01 -1.26 -4.76 117.16 110.99 2qgf n TYR 165 Ca -0.03 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.25 2qgf n TYR 165 Cb 0.24 -0.87 -0.07 0.00 -0.31 0.00 0.00 39.34 38.33 2qgf n TYR 165 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qgf n GLY 166 N 1.77 0.28 0.13 2.72 0.00 -0.93 -4.78 105.19 104.37 2qgf n GLY 166 Ca -0.27 0.91 0.12 0.00 0.00 0.00 0.00 46.02 46.78 2qgf n GLY 166 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qgf n ARG 167 N 8.41 0.21 0.10 1.61 1.85 -1.26 -2.86 116.66 124.72 2qgf n ARG 167 Ca 0.44 0.39 -0.15 0.00 -1.00 0.00 0.00 57.85 57.54 2qgf n ARG 167 Cb 0.26 -1.87 -0.14 0.00 -1.05 0.00 0.00 32.46 29.66 2qgf n ARG 167 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 2qgf h THR 168 N 0.00 1.49 0.02 8.89 1.35 -1.94 -3.07 112.91 119.65 2qgf h THR 168 Ca 0.00 -3.08 -0.21 0.00 -0.55 0.00 0.00 66.41 62.57 2qgf h THR 168 Cb 0.43 2.92 -0.02 0.00 -1.73 0.00 0.00 68.15 69.74 2qgf h THR 168 CO 0.00 0.89 -1.00 -0.37 -0.25 0.00 0.00 175.52 174.79 2qgf h VAL 169 N 0.07 1.66 0.05 6.82 -1.51 -1.91 -1.56 116.25 119.88 2qgf h VAL 169 Ca -0.13 -3.26 -0.00 0.00 -1.23 0.00 0.00 66.70 62.08 2qgf h VAL 169 Cb 1.96 2.80 0.00 0.00 -2.13 0.00 0.00 31.29 33.91 2qgf h VAL 169 CO 0.19 0.93 -0.03 0.45 -1.23 0.00 0.00 177.57 177.89 2qgf h HIS 170 N 0.02 -0.07 -0.66 5.19 3.86 -1.65 -1.56 115.15 120.28 2qgf h HIS 170 Ca -0.03 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 2qgf h HIS 170 Cb 1.74 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 30.20 2qgf h HIS 170 CO 0.01 0.15 0.29 1.03 0.86 0.00 0.00 177.93 180.28 2qgf h SER 171 N -0.29 0.88 -0.56 2.45 0.87 -1.54 -1.90 113.55 113.46 2qgf h SER 171 Ca -0.01 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.34 2qgf h SER 171 Cb 0.25 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 2qgf h SER 171 CO 0.01 0.79 0.10 0.25 -0.53 0.00 0.00 176.83 177.45 2qgf h LEU 172 N 0.92 0.87 -1.12 2.23 5.85 -1.29 -0.69 115.31 122.09 2qgf h LEU 172 Ca 0.22 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2qgf h LEU 172 Cb 0.16 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2qgf h LEU 172 CO -0.02 0.90 0.47 0.74 -0.34 0.00 0.00 178.44 180.18 2qgf h THR 173 N 0.81 1.22 -0.16 1.05 2.02 -0.97 0.39 112.91 117.27 2qgf h THR 173 Ca 0.17 -0.50 -0.16 0.00 0.77 0.00 0.00 66.41 66.69 2qgf h THR 173 Cb 0.39 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2qgf h THR 173 CO 0.01 0.24 -0.58 1.56 0.37 0.00 0.00 175.52 177.11 2qgf h GLN 174 N 1.09 0.52 0.07 6.66 4.20 -0.98 -0.84 115.11 125.83 2qgf h GLN 174 Ca 0.28 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2qgf h GLN 174 Cb -0.03 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2qgf h GLN 174 CO -0.05 0.96 -0.03 0.00 -0.67 0.00 0.00 178.83 179.03 2qgf h ALA 175 N 0.97 -0.09 0.00 3.87 0.00 -0.75 -3.12 119.26 120.14 2qgf h ALA 175 Ca -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2qgf h ALA 175 Cb 1.13 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2qgf h ALA 175 CO 0.11 -0.31 -0.08 -0.07 0.00 0.00 0.00 179.25 178.91 2qgf h LEU 176 N -0.58 0.00 -0.13 0.00 3.38 -0.95 -1.18 115.31 115.86 2qgf h LEU 176 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qgf h LEU 176 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2qgf h LEU 176 CO 0.01 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.62 2qgf n ALA 177 N -2.48 1.52 1.21 1.53 0.00 -0.32 -1.65 120.51 120.33 2qgf n ALA 177 Ca -0.03 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.53 2qgf n ALA 177 Cb 0.16 -1.21 0.51 0.00 0.00 0.00 0.00 19.45 18.90 2qgf n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qgf n LYS 178 N -1.61 0.40 -3.66 0.00 5.02 -0.44 -4.88 118.16 112.98 2qgf n LYS 178 Ca 0.03 -0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 55.92 2qgf n LYS 178 Cb 0.14 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 2qgf n LYS 178 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2qgf s PHE 179 N -2.71 1.63 0.18 2.13 0.08 -0.66 -4.88 117.98 113.75 2qgf s PHE 179 Ca 0.21 -0.79 0.05 0.00 0.12 0.00 0.00 56.93 56.52 2qgf s PHE 179 Cb 0.19 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2qgf s PHE 179 CO 0.54 -0.62 0.16 -0.51 -0.10 0.00 0.00 175.22 174.69 2qgf s ASP 180 N -4.37 5.60 -1.53 1.36 1.01 -1.26 -4.65 116.67 112.83 2qgf s ASP 180 Ca 0.41 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.56 2qgf s ASP 180 Cb -0.03 -1.48 0.00 0.00 1.01 0.00 0.00 42.92 42.42 2qgf s ASP 180 CO 0.26 0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.30 2qgf n GLY 181 N -0.48 1.38 3.82 0.21 0.00 -1.26 0.30 105.19 109.15 2qgf n GLY 181 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2qgf n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qgf s ASN 182 N -2.37 6.43 -0.03 1.61 0.01 -1.26 -4.00 114.94 115.34 2qgf s ASN 182 Ca 0.00 1.75 0.04 0.00 -0.71 0.00 0.00 52.86 53.94 2qgf s ASN 182 Cb 0.00 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 2qgf s ASN 182 CO 0.00 -0.72 -0.15 -0.13 -1.51 0.00 0.00 177.10 174.59 2qgf s ARG 183 N -3.64 1.45 -0.09 -0.60 0.52 -0.58 -4.13 118.95 111.87 2qgf s ARG 183 Ca 0.63 -0.55 0.04 0.00 -0.52 0.00 0.00 55.73 55.33 2qgf s ARG 183 Cb -0.13 -1.33 -0.01 0.00 0.52 0.00 0.00 34.95 34.01 2qgf s ARG 183 CO 0.25 0.27 -0.21 -0.06 0.02 0.00 0.00 175.30 175.57 2qgf s PHE 184 N -0.13 2.59 -0.19 -0.53 0.40 -0.35 -1.04 117.98 118.72 2qgf s PHE 184 Ca 0.01 -0.78 -0.03 0.00 -0.60 0.00 0.00 56.93 55.53 2qgf s PHE 184 Cb -0.09 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 2qgf s PHE 184 CO 0.01 -0.26 -0.07 0.71 0.70 0.00 0.00 175.22 176.31 2qgf s TYR 185 N 0.09 2.92 -0.21 0.36 1.51 -0.57 -0.98 117.35 120.48 2qgf s TYR 185 Ca -0.10 -0.86 -0.06 0.00 -1.01 0.00 0.00 57.07 55.04 2qgf s TYR 185 Cb -0.16 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 2qgf s TYR 185 CO 0.06 -0.45 0.04 -0.06 -1.11 0.00 0.00 175.55 174.03 2qgf s PHE 186 N 1.14 3.10 -0.37 2.71 0.08 -0.23 -1.12 117.98 123.30 2qgf s PHE 186 Ca 0.01 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.78 2qgf s PHE 186 Cb -0.14 -2.13 0.11 0.00 -0.57 0.00 0.00 43.02 40.28 2qgf s PHE 186 CO -0.01 -0.18 0.13 0.42 -0.10 0.00 0.00 175.22 175.48 2qgf s ILE 187 N 1.04 1.57 0.08 0.64 1.01 -0.64 -1.32 121.20 123.58 2qgf s ILE 187 Ca 0.03 -2.13 -0.06 0.00 0.00 0.00 0.00 60.65 58.49 2qgf s ILE 187 Cb -0.14 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 2qgf s ILE 187 CO 0.02 -0.72 0.12 0.00 0.00 0.00 0.00 174.94 174.36 2qgf s ALA 188 N 0.93 0.07 0.89 9.38 0.00 -1.26 -2.80 121.76 128.97 2qgf s ALA 188 Ca 0.13 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.11 2qgf s ALA 188 Cb -0.20 0.44 0.13 0.00 0.00 0.00 0.00 23.12 23.48 2qgf s ALA 188 CO -0.12 -0.47 1.09 -2.14 0.00 0.00 0.00 175.76 174.13 2qgf s PRO 189 N -3.89 1.31 0.50 0.00 0.02 -1.26 -4.89 135.00 126.78 2qgf s PRO 189 Ca 0.07 0.79 0.15 0.00 0.02 0.00 0.00 61.00 62.03 2qgf s PRO 189 Cb 0.06 -1.82 1.18 0.00 0.02 0.00 0.00 34.50 33.95 2qgf s PRO 189 CO -0.10 -2.20 2.12 -0.44 -0.33 0.00 0.00 177.00 176.05 2qgf h ASP 190 N -1.52 0.07 1.38 2.53 5.19 -2.00 -2.50 116.42 119.56 2qgf h ASP 190 Ca -0.49 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2qgf h ASP 190 Cb 1.28 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.78 2qgf h ASP 190 CO 0.55 0.07 0.00 0.00 -3.12 0.00 0.00 179.24 176.74 2qgf n ALA 191 N -2.53 2.20 -1.82 3.45 0.00 -1.26 -3.95 120.51 116.60 2qgf n ALA 191 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2qgf n ALA 191 Cb 0.10 -1.46 0.15 0.00 0.00 0.00 0.00 19.45 18.24 2qgf n ALA 191 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qgf n LEU 192 N -2.26 2.86 -4.76 0.00 4.77 -0.94 -4.93 117.00 111.73 2qgf n LEU 192 Ca 0.05 -3.80 -0.33 0.00 -0.03 0.00 0.00 56.01 51.90 2qgf n LEU 192 Cb 0.40 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2qgf n LEU 192 CO 0.29 1.41 0.74 0.00 -1.33 0.00 0.00 177.39 178.50 2qgf s ALA 193 N -2.94 2.38 0.05 -1.18 0.00 -1.21 -0.65 121.76 118.22 2qgf s ALA 193 Ca 0.39 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.57 2qgf s ALA 193 Cb 0.38 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 20.07 2qgf s ALA 193 CO -0.06 -1.45 1.91 -0.12 0.00 0.00 0.00 175.76 176.04 2qgf n MET 194 N -2.68 2.73 -1.19 0.00 1.56 -1.26 -2.90 117.12 113.38 2qgf n MET 194 Ca 0.10 1.00 -0.36 0.00 -0.27 0.00 0.00 57.70 58.17 2qgf n MET 194 Cb 0.52 -2.92 0.07 0.00 2.15 0.00 0.00 33.22 33.05 2qgf n MET 194 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 2qgf n PRO 195 N 6.66 0.20 0.18 2.12 -0.02 -1.26 -4.85 135.00 138.03 2qgf n PRO 195 Ca 0.20 0.11 0.02 0.00 -2.02 0.00 0.00 63.50 61.81 2qgf n PRO 195 Cb 0.38 -1.76 0.35 0.00 -0.02 0.00 0.00 33.50 32.45 2qgf n PRO 195 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2qgf h GLN 196 N -0.54 0.00 0.00 -0.52 5.75 -2.00 -3.00 115.11 114.81 2qgf h GLN 196 Ca -0.45 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.03 2qgf h GLN 196 Cb 1.34 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.89 2qgf h GLN 196 CO 0.41 0.39 -0.12 0.10 -2.65 0.00 0.00 178.83 176.95 2qgf h TYR 197 N 0.00 0.00 0.10 3.99 -0.00 -1.99 0.24 116.97 119.31 2qgf h TYR 197 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.73 58.53 2qgf h TYR 197 Cb 0.69 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.44 2qgf h TYR 197 CO 0.00 0.12 -0.85 0.82 -0.00 0.00 0.00 178.16 178.26 2qgf h ILE 198 N 0.00 1.44 -0.94 -0.90 1.08 -1.89 -3.01 117.51 113.28 2qgf h ILE 198 Ca -0.00 -2.39 0.01 0.00 -0.39 0.00 0.00 64.86 62.09 2qgf h ILE 198 Cb 0.24 2.93 -0.05 0.00 -3.07 0.00 0.00 36.82 36.88 2qgf h ILE 198 CO 0.02 0.69 0.61 -0.07 -0.69 0.00 0.00 178.15 178.71 2qgf h LEU 199 N -0.16 1.09 -0.30 1.44 3.38 -1.23 -1.78 115.31 117.75 2qgf h LEU 199 Ca -0.13 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2qgf h LEU 199 Cb 1.61 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2qgf h LEU 199 CO 0.16 0.80 0.13 0.44 0.09 0.00 0.00 178.44 180.05 2qgf h ASP 200 N 1.28 0.41 -0.75 -0.43 3.45 -0.63 -1.17 116.42 118.57 2qgf h ASP 200 Ca 0.34 -0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.64 2qgf h ASP 200 Cb -0.13 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 38.50 2qgf h ASP 200 CO -0.07 0.45 0.44 -0.03 -1.57 0.00 0.00 179.24 178.46 2qgf h MET 201 N 0.34 1.04 -0.11 3.56 4.05 -1.29 0.78 114.93 123.30 2qgf h MET 201 Ca 0.10 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2qgf h MET 201 Cb 0.17 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 2qgf h MET 201 CO -0.01 0.74 0.04 -0.07 0.23 0.00 0.00 176.91 177.84 2qgf h LEU 202 N 1.05 0.15 0.04 3.39 3.38 -0.78 -1.36 115.31 121.17 2qgf h LEU 202 Ca 0.27 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2qgf h LEU 202 Cb -0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2qgf h LEU 202 CO -0.05 0.27 -0.15 0.44 0.09 0.00 0.00 178.44 179.04 2qgf h ASP 203 N 0.02 -0.41 -0.96 -0.43 3.32 -0.76 -1.27 116.42 115.93 2qgf h ASP 203 Ca 0.04 0.06 0.16 0.00 0.02 0.00 0.00 57.03 57.30 2qgf h ASP 203 Cb 0.17 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.80 2qgf h ASP 203 CO -0.00 -0.21 0.61 -0.08 -1.72 0.00 0.00 179.24 177.84 2qgf h GLU 204 N -0.26 0.74 -0.51 3.56 4.81 -0.74 -0.37 114.58 121.82 2qgf h GLU 204 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2qgf h GLU 204 Cb 0.30 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2qgf h GLU 204 CO -0.11 0.49 0.00 1.63 -0.73 0.00 0.00 179.01 180.29 2qgf n LYS 205 N -4.63 2.27 -1.48 1.92 5.02 -0.52 -4.92 118.16 115.82 2qgf n LYS 205 Ca 0.20 -1.57 -0.17 0.00 -2.02 0.00 0.00 58.31 54.75 2qgf n LYS 205 Cb 0.50 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 2qgf n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qgf n GLY 206 N 0.96 1.65 3.71 0.72 0.00 -0.15 -4.98 105.19 107.11 2qgf n GLY 206 Ca 0.14 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 2qgf n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qgf s ILE 207 N -2.60 5.03 0.09 -0.61 1.01 -0.55 -5.02 121.20 118.55 2qgf s ILE 207 Ca 0.00 1.49 -0.30 0.00 0.00 0.00 0.00 60.65 61.84 2qgf s ILE 207 Cb 0.00 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 2qgf s ILE 207 CO 0.00 0.24 1.11 0.00 0.00 0.00 0.00 174.94 176.29 2qgf s ALA 208 N 0.85 3.33 0.17 9.38 0.00 -1.26 -4.44 121.76 129.79 2qgf s ALA 208 Ca 0.39 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 2qgf s ALA 208 Cb -0.18 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2qgf s ALA 208 CO 0.19 -0.30 0.35 1.67 0.00 0.00 0.00 175.76 177.67 2qgf s TRP 209 N 0.57 0.24 -0.19 0.00 1.48 -1.26 -1.22 118.94 118.56 2qgf s TRP 209 Ca 0.54 -0.60 -0.28 0.00 -1.06 0.00 0.00 56.10 54.70 2qgf s TRP 209 Cb -0.27 0.07 0.11 0.00 -1.16 0.00 0.00 33.47 32.22 2qgf s TRP 209 CO 0.31 -0.77 0.95 -1.54 -4.06 0.00 0.00 176.95 171.84 2qgf s SER 210 N -2.93 -0.45 0.14 -2.66 1.04 -0.15 -4.92 113.70 103.76 2qgf s SER 210 Ca 0.14 0.65 -0.19 0.00 0.48 0.00 0.00 55.95 57.03 2qgf s SER 210 Cb 0.02 0.58 -0.07 0.00 0.10 0.00 0.00 66.02 66.65 2qgf s SER 210 CO -0.01 -0.31 0.63 -0.76 0.98 0.00 0.00 173.24 173.77 2qgf s LEU 211 N -0.62 4.44 0.12 2.42 1.43 -1.26 -1.07 118.68 124.14 2qgf s LEU 211 Ca -0.01 1.31 0.04 0.00 -1.03 0.00 0.00 54.13 54.43 2qgf s LEU 211 Cb -0.02 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 2qgf s LEU 211 CO 0.00 0.16 -0.10 -1.00 0.23 0.00 0.00 176.35 175.64 2qgf s HIS 212 N -1.31 1.14 -0.03 0.29 3.76 -0.44 -4.89 115.29 113.81 2qgf s HIS 212 Ca 0.36 -0.74 0.04 0.00 -0.15 0.00 0.00 55.06 54.57 2qgf s HIS 212 Cb -0.18 -0.61 -0.25 0.00 1.11 0.00 0.00 32.58 32.65 2qgf s HIS 212 CO 0.20 0.02 0.70 0.77 -0.85 0.00 0.00 174.74 175.59 2qgf h SER 213 N 3.12 0.20 -4.90 1.40 0.02 -1.94 -3.40 113.55 108.04 2qgf h SER 213 Ca -0.37 -0.36 -0.11 0.00 -0.84 0.00 0.00 61.79 60.12 2qgf h SER 213 Cb 1.19 -0.06 -0.20 0.00 0.14 0.00 0.00 62.40 63.46 2qgf h SER 213 CO 0.59 1.31 -0.22 -0.94 -1.14 0.00 0.00 176.83 176.43 2qgf s SER 214 N -6.59 -0.26 0.42 3.07 1.04 -1.26 -4.92 113.70 105.20 2qgf s SER 214 Ca -0.09 0.21 0.22 0.00 0.48 0.00 0.00 55.95 56.78 2qgf s SER 214 Cb 0.08 0.38 1.20 0.00 0.10 0.00 0.00 66.02 67.78 2qgf s SER 214 CO 0.82 -0.44 1.76 0.40 0.98 0.00 0.00 173.24 176.76 2qgf h ILE 215 N 3.82 0.46 -0.51 -1.02 2.04 -1.93 -1.84 117.51 118.53 2qgf h ILE 215 Ca -0.29 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 65.57 2qgf h ILE 215 Cb 1.17 0.13 -0.10 0.00 -0.74 0.00 0.00 36.82 37.28 2qgf h ILE 215 CO 0.39 0.05 -0.13 -0.08 0.00 0.00 0.00 178.15 178.38 2qgf h GLU 216 N 0.30 -0.01 -0.46 2.37 4.81 -1.95 -1.39 114.58 118.25 2qgf h GLU 216 Ca 0.62 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.98 2qgf h GLU 216 Cb 1.74 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.10 2qgf h GLU 216 CO -0.27 -0.01 0.43 0.93 -0.73 0.00 0.00 179.01 179.36 2qgf h GLU 217 N -0.01 0.00 0.00 1.92 5.08 -1.76 -3.08 114.58 116.73 2qgf h GLU 217 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2qgf h GLU 217 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2qgf h GLU 217 CO -0.53 0.00 0.00 1.55 -1.00 0.00 0.00 179.01 179.03 2qgf n VAL 218 N -3.93 0.50 -0.30 3.13 3.14 -0.61 -4.83 118.33 115.43 2qgf n VAL 218 Ca 0.08 -0.55 0.03 0.00 -2.96 0.00 0.00 64.34 60.95 2qgf n VAL 218 Cb 0.62 0.81 0.18 0.00 -1.06 0.00 0.00 33.84 34.39 2qgf n VAL 218 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 2qgf h MET 219 N 0.00 0.81 -0.26 1.45 4.05 -1.22 -1.41 114.93 118.35 2qgf h MET 219 Ca 0.00 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 2qgf h MET 219 Cb 0.63 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2qgf h MET 219 CO 0.00 0.54 0.08 0.00 0.23 0.00 0.00 176.91 177.76 2qgf h ALA 220 N 1.47 1.66 0.19 0.39 0.00 -1.83 -3.21 119.26 117.92 2qgf h ALA 220 Ca 0.41 -0.09 -0.35 0.00 0.00 0.00 0.00 54.91 54.88 2qgf h ALA 220 Cb 0.37 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qgf h ALA 220 CO -0.25 0.27 -1.71 0.93 0.00 0.00 0.00 179.25 178.50 2qgf h GLU 221 N 0.37 0.39 -6.87 0.00 4.39 -1.60 -3.41 114.58 107.86 2qgf h GLU 221 Ca 0.09 -0.67 -0.55 0.00 0.34 0.00 0.00 59.36 58.57 2qgf h GLU 221 Cb 0.12 0.25 0.11 0.00 -0.10 0.00 0.00 28.75 29.13 2qgf h GLU 221 CO -0.01 1.31 0.70 1.33 -1.16 0.00 0.00 179.01 181.18 2qgf n VAL 222 N -3.59 1.94 -0.09 3.13 0.24 -1.13 -4.72 118.33 114.12 2qgf n VAL 222 Ca -0.23 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.34 61.47 2qgf n VAL 222 Cb 1.08 -1.85 -0.12 0.00 -1.47 0.00 0.00 33.84 31.48 2qgf n VAL 222 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2qgf n ASP 223 N 0.64 1.49 -3.87 -1.34 8.00 0.23 -4.61 116.55 117.09 2qgf n ASP 223 Ca 0.03 -0.05 -0.21 0.00 0.71 0.00 0.00 54.79 55.27 2qgf n ASP 223 Cb 0.38 0.40 -0.17 0.00 -0.02 0.00 0.00 41.12 41.71 2qgf n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qgf s ILE 224 N -2.41 0.51 -0.32 0.53 -1.09 -1.11 -1.67 121.20 115.64 2qgf s ILE 224 Ca -0.17 -0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.13 2qgf s ILE 224 Cb 0.06 -0.57 0.04 0.00 -1.58 0.00 0.00 42.46 40.42 2qgf s ILE 224 CO 0.60 0.23 0.05 -0.22 -1.23 0.00 0.00 174.94 174.38 2qgf s LEU 225 N 1.13 4.11 -0.30 2.97 2.96 0.19 -1.36 118.68 128.39 2qgf s LEU 225 Ca -0.08 -1.20 -0.10 0.00 -0.22 0.00 0.00 54.13 52.53 2qgf s LEU 225 Cb -0.14 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 2qgf s LEU 225 CO -0.01 -0.29 0.16 -0.47 -1.32 0.00 0.00 176.35 174.41 2qgf s TYR 226 N 1.33 3.18 0.19 5.38 6.14 0.51 -0.63 117.35 133.45 2qgf s TYR 226 Ca -0.03 -0.34 0.05 0.00 0.64 0.00 0.00 57.07 57.39 2qgf s TYR 226 Cb -0.20 -2.36 -0.04 0.00 0.42 0.00 0.00 41.96 39.79 2qgf s TYR 226 CO 0.01 -0.36 0.21 -1.64 0.64 0.00 0.00 175.55 174.41 2qgf s MET 227 N 1.66 3.09 0.16 4.97 -1.94 -0.08 -0.38 119.30 126.79 2qgf s MET 227 Ca 0.06 -0.84 0.00 0.00 -1.71 0.00 0.00 55.69 53.20 2qgf s MET 227 Cb -0.17 -2.73 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 2qgf s MET 227 CO 0.07 0.46 0.04 0.95 -0.01 0.00 0.00 175.02 176.54 2qgf s THR 228 N -1.87 0.37 -0.16 2.05 -4.23 -0.13 -4.10 115.64 107.57 2qgf s THR 228 Ca 0.33 -1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 58.73 2qgf s THR 228 Cb -0.10 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 2qgf s THR 228 CO 0.26 -0.40 0.38 -0.60 -0.54 0.00 0.00 174.62 173.71 2qgf s ARG 229 N -4.00 4.27 -0.52 3.99 3.52 -1.26 -4.53 118.95 120.41 2qgf s ARG 229 Ca 0.26 0.23 -0.21 0.00 -0.13 0.00 0.00 55.73 55.89 2qgf s ARG 229 Cb 0.07 -3.45 0.05 0.00 -1.56 0.00 0.00 34.95 30.06 2qgf s ARG 229 CO 0.04 0.15 0.73 0.08 -0.81 0.00 0.00 175.30 175.49 2qgf s VAL 230 N 0.70 4.72 0.12 7.11 1.01 -1.26 -4.46 120.40 128.34 2qgf s VAL 230 Ca 0.20 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 2qgf s VAL 230 Cb -0.14 -4.38 -0.07 0.00 0.00 0.00 0.00 36.38 31.79 2qgf s VAL 230 CO 0.07 -0.91 1.23 -1.10 0.00 0.00 0.00 175.10 174.39 2qgf s GLN 231 N 3.05 4.44 0.58 2.72 1.11 -1.26 -4.89 119.66 125.40 2qgf s GLN 231 Ca 0.20 1.86 0.27 0.00 0.01 0.00 0.00 55.36 57.70 2qgf s GLN 231 Cb -0.17 -3.29 1.60 0.00 -1.01 0.00 0.00 33.01 30.14 2qgf s GLN 231 CO 0.14 -0.22 2.10 -0.22 0.01 0.00 0.00 175.29 177.10 2qgf h LYS 232 N 6.19 0.00 0.00 2.91 3.64 -1.96 -1.12 116.57 126.24 2qgf h LYS 232 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2qgf h LYS 232 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2qgf h LYS 232 CO 0.79 0.00 0.00 0.93 -2.27 0.00 0.00 179.45 178.90 2qgf h GLU 233 N 0.00 0.00 -0.00 1.90 3.07 -1.98 -0.81 114.58 116.76 2qgf h GLU 233 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2qgf h GLU 233 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2qgf h GLU 233 CO -0.00 0.00 -0.02 0.54 -1.40 0.00 0.00 179.01 178.13 2qgf n ARG 234 N -2.91 0.03 -4.33 2.33 5.12 -0.42 -4.85 116.66 111.63 2qgf n ARG 234 Ca 0.00 -0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.75 2qgf n ARG 234 Cb 0.24 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.94 2qgf n ARG 234 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2qgf s LEU 235 N -2.97 2.19 0.05 0.55 1.43 -0.31 -5.10 118.68 114.52 2qgf s LEU 235 Ca 0.15 -1.22 -0.23 0.00 -1.03 0.00 0.00 54.13 51.80 2qgf s LEU 235 Cb 0.19 -0.27 -0.06 0.00 0.03 0.00 0.00 46.19 46.09 2qgf s LEU 235 CO 0.53 -0.51 0.69 -0.62 0.23 0.00 0.00 176.35 176.67 2qgf s ASP 236 N -3.30 7.14 0.42 2.29 -1.08 -1.26 -4.87 116.67 116.01 2qgf s ASP 236 Ca 0.28 1.36 0.32 0.00 -0.52 0.00 0.00 52.55 53.99 2qgf s ASP 236 Cb 0.06 -2.43 1.39 0.00 -1.46 0.00 0.00 42.92 40.48 2qgf s ASP 236 CO 0.08 0.09 1.41 -2.65 0.52 0.00 0.00 175.17 174.63 2qgf n PRO 237 N 2.52 -0.03 -0.03 4.34 -0.02 -1.26 -0.22 135.00 140.31 2qgf n PRO 237 Ca -0.05 1.10 -0.13 0.00 -2.02 0.00 0.00 63.50 62.40 2qgf n PRO 237 Cb 0.50 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.65 2qgf n PRO 237 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2qgf h SER 238 N 0.00 0.12 0.12 2.55 0.02 -1.98 -2.88 113.55 111.50 2qgf h SER 238 Ca 0.81 -0.57 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2qgf h SER 238 Cb 2.73 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 65.22 2qgf h SER 238 CO -0.34 0.67 -0.14 -0.08 -1.14 0.00 0.00 176.83 175.79 2qgf h GLU 239 N -0.42 -0.29 -0.27 3.45 4.81 -0.98 -2.99 114.58 117.88 2qgf h GLU 239 Ca 0.00 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2qgf h GLU 239 Cb 0.65 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 2qgf h GLU 239 CO 0.02 -0.19 -0.34 -0.92 -0.73 0.00 0.00 179.01 176.84 2qgf h TYR 240 N -0.30 -1.06 -1.14 0.92 5.03 -1.11 -1.12 116.97 118.19 2qgf h TYR 240 Ca 0.01 0.05 0.32 0.00 2.58 0.00 0.00 58.73 61.69 2qgf h TYR 240 Cb 0.30 0.50 -0.08 0.00 1.55 0.00 0.00 36.73 38.99 2qgf h TYR 240 CO -0.14 -0.30 0.76 0.00 -1.32 0.00 0.00 178.16 177.16 2qgf h ALA 241 N -0.50 2.60 -0.21 1.82 0.00 -1.43 0.22 119.26 121.76 2qgf h ALA 241 Ca 0.05 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 2qgf h ALA 241 Cb 0.36 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2qgf h ALA 241 CO -0.38 -1.02 -0.62 -0.91 0.00 0.00 0.00 179.25 176.32 2qgf h ASN 242 N 0.22 0.90 0.00 0.00 2.35 -1.07 -3.35 115.58 114.64 2qgf h ASN 242 Ca 0.62 -0.59 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2qgf h ASN 242 Cb 1.93 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 40.03 2qgf h ASN 242 CO -0.22 1.33 -0.11 -0.37 -1.65 0.00 0.00 177.43 176.41 2qgf h VAL 243 N 0.52 1.26 0.00 2.81 -1.51 -1.02 -3.42 116.25 114.90 2qgf h VAL 243 Ca -0.02 -1.98 0.00 0.00 -1.23 0.00 0.00 66.70 63.47 2qgf h VAL 243 Cb 1.24 2.42 0.00 0.00 -2.13 0.00 0.00 31.29 32.82 2qgf h VAL 243 CO 0.13 0.43 0.00 1.17 -1.23 0.00 0.00 177.57 178.07 2qgf n LYS 244 N -4.64 0.00 -0.54 5.19 4.81 0.66 0.74 118.16 124.38 2qgf n LYS 244 Ca -0.09 0.00 0.44 0.00 -0.87 0.00 0.00 58.31 57.78 2qgf n LYS 244 Cb 0.38 0.00 0.74 0.00 0.02 0.00 0.00 35.03 36.16 2qgf n LYS 244 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qgf h ALA 245 N 0.00 3.26 0.00 3.14 0.00 -1.80 0.32 119.26 124.18 2qgf h ALA 245 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qgf h ALA 245 Cb 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2qgf h ALA 245 CO 0.00 -1.83 -0.09 1.96 0.00 0.00 0.00 179.25 179.30 2qgf h GLN 246 N 0.04 0.00 -1.15 0.00 4.20 0.03 -3.30 115.11 114.93 2qgf h GLN 246 Ca 0.84 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 59.10 2qgf h GLN 246 Cb 3.03 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 30.40 2qgf h GLN 246 CO -0.19 0.09 -1.01 1.19 -0.67 0.00 0.00 178.83 178.24 2qgf n PHE 247 N -3.27 2.04 -4.74 2.96 3.72 0.11 -4.58 117.46 113.70 2qgf n PHE 247 Ca -0.00 -2.85 -0.27 0.00 -0.05 0.00 0.00 57.45 54.28 2qgf n PHE 247 Cb 0.32 -0.26 -0.17 0.00 -0.94 0.00 0.00 39.48 38.43 2qgf n PHE 247 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2qgf s VAL 248 N -4.09 1.43 -0.19 -4.37 1.01 -1.22 -4.80 120.40 108.16 2qgf s VAL 248 Ca 0.36 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 2qgf s VAL 248 Cb 0.43 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2qgf s VAL 248 CO -0.05 0.42 0.05 -0.22 0.00 0.00 0.00 175.10 175.30 2qgf s LEU 249 N 0.62 3.70 0.25 3.92 2.96 0.20 -5.01 118.68 125.32 2qgf s LEU 249 Ca -0.15 0.02 0.10 0.00 -0.22 0.00 0.00 54.13 53.88 2qgf s LEU 249 Cb -0.16 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2qgf s LEU 249 CO 0.05 0.15 -0.09 -0.13 -1.32 0.00 0.00 176.35 175.00 2qgf s ARG 250 N 0.53 2.03 0.50 1.98 0.52 -1.26 -0.33 118.95 122.93 2qgf s ARG 250 Ca 0.02 -1.50 0.15 0.00 -0.52 0.00 0.00 55.73 53.88 2qgf s ARG 250 Cb -0.13 -2.03 1.19 0.00 0.52 0.00 0.00 34.95 34.51 2qgf s ARG 250 CO 0.01 0.37 2.13 0.00 0.02 0.00 0.00 175.30 177.83 2qgf h ALA 251 N 2.24 1.94 0.00 2.13 0.00 -1.88 -1.69 119.26 122.00 2qgf h ALA 251 Ca -0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2qgf h ALA 251 Cb 1.24 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qgf h ALA 251 CO 0.59 0.05 -0.12 0.66 0.00 0.00 0.00 179.25 180.43 2qgf h SER 252 N 0.09 0.00 0.91 0.00 4.64 -1.95 -2.32 113.55 114.91 2qgf h SER 252 Ca 0.02 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 2qgf h SER 252 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 2qgf h SER 252 CO -0.00 0.12 -0.85 0.44 -0.87 0.00 0.00 176.83 175.66 2qgf h ASP 253 N 0.00 0.00 0.22 4.97 3.45 -1.72 -3.07 116.42 120.27 2qgf h ASP 253 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2qgf h ASP 253 Cb 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 2qgf h ASP 253 CO 0.02 0.85 0.00 0.18 -1.57 0.00 0.00 179.24 178.72 2qgf n LEU 254 N -3.48 0.05 -0.18 1.55 4.77 -0.87 -4.07 117.00 114.77 2qgf n LEU 254 Ca -0.00 0.52 0.03 0.00 -0.03 0.00 0.00 56.01 56.52 2qgf n LEU 254 Cb 0.83 -0.52 0.07 0.00 -2.33 0.00 0.00 43.42 41.46 2qgf n LEU 254 CO 0.45 -0.43 0.32 1.57 -1.33 0.00 0.00 177.39 177.97 2qgf n HIS 255 N -1.56 0.17 -1.18 -1.77 -0.00 -1.16 -0.37 115.22 109.34 2qgf n HIS 255 Ca 0.01 0.59 -0.06 0.00 0.46 0.00 0.00 57.72 58.73 2qgf n HIS 255 Cb 0.08 -0.78 0.25 0.00 -0.12 0.00 0.00 29.99 29.42 2qgf n HIS 255 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 2qgf n ASN 256 N -4.79 3.87 -4.83 0.26 6.94 -1.26 -5.01 115.26 110.45 2qgf n ASN 256 Ca 0.08 -3.40 -0.34 0.00 -0.02 0.00 0.00 54.58 50.90 2qgf n ASN 256 Cb 0.24 -0.70 -0.06 0.00 -2.36 0.00 0.00 39.78 36.90 2qgf n ASN 256 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qgf s ALA 257 N -3.09 3.29 0.75 -2.53 0.00 0.50 -4.15 121.76 116.52 2qgf s ALA 257 Ca 0.50 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 2qgf s ALA 257 Cb 0.42 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 20.69 2qgf s ALA 257 CO 0.09 0.28 1.15 1.63 0.00 0.00 0.00 175.76 178.90 2qgf n LYS 258 N -0.04 0.50 -0.09 0.00 5.02 -1.26 -4.91 118.16 117.38 2qgf n LYS 258 Ca 0.02 0.24 -0.06 0.00 -2.02 0.00 0.00 58.31 56.49 2qgf n LYS 258 Cb 0.52 -2.39 -0.00 0.00 -0.02 0.00 0.00 35.03 33.14 2qgf n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qgf h ALA 259 N -0.37 0.22 0.00 7.82 0.00 -1.96 -1.24 119.26 123.74 2qgf h ALA 259 Ca -0.48 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2qgf h ALA 259 Cb 1.32 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2qgf h ALA 259 CO 0.48 -0.46 0.00 0.27 0.00 0.00 0.00 179.25 179.54 2qgf n ASN 260 N -5.26 0.00 -4.71 0.00 6.94 -1.26 -4.89 115.26 106.08 2qgf n ASN 260 Ca 0.01 0.04 -0.42 0.00 -0.02 0.00 0.00 54.58 54.18 2qgf n ASN 260 Cb 0.18 -0.31 -0.03 0.00 -2.36 0.00 0.00 39.78 37.27 2qgf n ASN 260 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 2qgf s MET 261 N -2.61 4.16 -0.00 -3.83 1.75 -0.47 -4.89 119.30 113.40 2qgf s MET 261 Ca 0.19 2.50 0.08 0.00 -1.25 0.00 0.00 55.69 57.21 2qgf s MET 261 Cb 0.14 -3.31 -0.02 0.00 2.84 0.00 0.00 34.83 34.48 2qgf s MET 261 CO 0.33 -0.73 -0.26 0.15 -0.65 0.00 0.00 175.02 173.86 2qgf s LYS 262 N 1.78 1.98 -0.24 4.11 -0.14 -0.67 -4.53 119.74 122.04 2qgf s LYS 262 Ca 0.75 -0.96 -0.10 0.00 -1.36 0.00 0.00 55.97 54.30 2qgf s LYS 262 Cb -0.46 -1.98 -0.05 0.00 -1.68 0.00 0.00 37.83 33.67 2qgf s LYS 262 CO 0.33 0.53 0.14 0.08 -0.76 0.00 0.00 175.35 175.67 2qgf s VAL 263 N -0.65 5.16 0.23 3.17 1.01 -0.16 -0.63 120.40 128.52 2qgf s VAL 263 Ca 0.10 0.11 0.11 0.00 0.00 0.00 0.00 61.98 62.30 2qgf s VAL 263 Cb -0.10 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2qgf s VAL 263 CO -0.00 0.35 -0.15 -0.76 0.00 0.00 0.00 175.10 174.54 2qgf s LEU 264 N 1.07 2.76 -0.29 3.92 1.43 0.20 -1.91 118.68 125.86 2qgf s LEU 264 Ca 0.07 -0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 52.21 2qgf s LEU 264 Cb -0.14 -1.37 0.14 0.00 0.03 0.00 0.00 46.19 44.85 2qgf s LEU 264 CO 0.04 0.07 0.91 -2.28 0.23 0.00 0.00 176.35 175.33 2qgf s HIS 265 N -2.05 -0.70 0.50 0.29 2.46 -1.26 -0.90 115.29 113.62 2qgf s HIS 265 Ca 0.27 1.37 0.20 0.00 0.47 0.00 0.00 55.06 57.36 2qgf s HIS 265 Cb -0.07 0.42 1.32 0.00 -0.13 0.00 0.00 32.58 34.12 2qgf s HIS 265 CO 0.15 -0.35 2.11 -1.35 -2.47 0.00 0.00 174.74 172.83 2qgf h PRO 266 N 6.51 0.00 -1.21 2.88 0.11 -1.95 -3.46 132.00 134.88 2qgf h PRO 266 Ca -0.26 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.89 2qgf h PRO 266 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2qgf h PRO 266 CO 0.17 0.07 -0.36 1.28 -0.21 0.00 0.00 178.00 178.95 2qgf n LEU 267 N -4.21 -0.47 -4.73 2.35 4.77 -1.26 -4.98 117.00 108.46 2qgf n LEU 267 Ca -0.03 0.89 -0.42 0.00 -0.03 0.00 0.00 56.01 56.43 2qgf n LEU 267 Cb 0.16 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 2qgf n LEU 267 CO 0.33 -0.45 1.01 -2.84 -1.33 0.00 0.00 177.39 174.11 2qgf s PRO 268 N -4.06 4.36 0.35 3.23 0.02 -1.26 -5.07 135.00 132.58 2qgf s PRO 268 Ca 0.00 2.06 -0.06 0.00 0.02 0.00 0.00 61.00 63.03 2qgf s PRO 268 Cb 0.00 -3.21 -0.05 0.00 0.02 0.00 0.00 34.50 31.26 2qgf s PRO 268 CO 0.00 -0.32 0.64 -0.98 -0.33 0.00 0.00 177.00 176.01 2qgf s ARG 269 N 0.31 3.63 0.00 5.54 1.70 -1.26 -4.77 118.95 124.11 2qgf s ARG 269 Ca 0.59 0.10 0.00 0.00 -0.47 0.00 0.00 55.73 55.96 2qgf s ARG 269 Cb -0.37 -2.55 0.00 0.00 -0.57 0.00 0.00 34.95 31.47 2qgf s ARG 269 CO 0.35 0.08 0.00 1.33 -1.08 0.00 0.00 175.30 175.99 2qgf n VAL 270 N -1.34 0.00 -0.10 4.99 0.24 -1.26 -4.96 118.33 115.91 2qgf n VAL 270 Ca -0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.19 2qgf n VAL 270 Cb 0.54 -0.14 -0.15 0.00 -1.47 0.00 0.00 33.84 32.62 2qgf n VAL 270 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2qgf n ASP 271 N -2.17 0.45 -0.15 -1.34 8.00 -1.26 -4.61 116.55 115.46 2qgf n ASP 271 Ca 0.00 -0.01 0.13 0.00 0.71 0.00 0.00 54.79 55.62 2qgf n ASP 271 Cb 0.00 0.85 0.48 0.00 -0.02 0.00 0.00 41.12 42.42 2qgf n ASP 271 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2qgf h GLU 272 N 0.00 0.46 -5.00 -1.24 9.09 -1.93 -3.39 114.58 112.57 2qgf h GLU 272 Ca -0.52 -0.03 -0.67 0.00 0.05 0.00 0.00 59.36 58.19 2qgf h GLU 272 Cb 2.15 -0.10 -0.35 0.00 -1.65 0.00 0.00 28.75 28.79 2qgf h GLU 272 CO 0.02 0.30 -0.84 0.42 0.05 0.00 0.00 179.01 178.97 2qgf s ILE 273 N -5.45 2.16 0.56 -1.06 1.01 -1.26 0.60 121.20 117.76 2qgf s ILE 273 Ca -0.08 -1.10 -0.19 0.00 0.00 0.00 0.00 60.65 59.27 2qgf s ILE 273 Cb 0.20 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 2qgf s ILE 273 CO 0.76 0.38 1.16 0.00 0.00 0.00 0.00 174.94 177.25 2qgf s ALA 274 N 1.25 2.63 0.51 9.38 0.00 0.55 -4.86 121.76 131.23 2qgf s ALA 274 Ca 0.01 0.90 0.18 0.00 0.00 0.00 0.00 51.96 53.05 2qgf s ALA 274 Cb -0.15 -3.40 1.31 0.00 0.00 0.00 0.00 23.12 20.89 2qgf s ALA 274 CO -0.10 -0.94 2.14 1.79 0.00 0.00 0.00 175.76 178.65 2qgf h THR 275 N 1.06 0.94 0.00 0.00 1.35 -1.95 -2.16 112.91 112.15 2qgf h THR 275 Ca -0.50 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2qgf h THR 275 Cb 1.28 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 2qgf h THR 275 CO 0.56 0.04 0.00 -0.90 -0.25 0.00 0.00 175.52 174.97 2qgf n ASP 276 N -4.36 0.00 0.06 5.36 3.85 -1.26 -1.27 116.55 118.93 2qgf n ASP 276 Ca -0.03 0.36 -0.08 0.00 -0.71 0.00 0.00 54.79 54.33 2qgf n ASP 276 Cb 0.12 -0.42 -0.12 0.00 -1.35 0.00 0.00 41.12 39.35 2qgf n ASP 276 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 2qgf h VAL 277 N 0.00 1.68 -0.16 2.12 2.07 -1.74 -3.24 116.25 116.98 2qgf h VAL 277 Ca 0.00 -3.38 0.05 0.00 0.82 0.00 0.00 66.70 64.19 2qgf h VAL 277 Cb 0.14 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2qgf h VAL 277 CO 0.00 0.96 0.14 0.44 0.02 0.00 0.00 177.57 179.13 2qgf h ASP 278 N 0.01 0.00 0.53 0.57 3.45 -1.34 -2.00 116.42 117.63 2qgf h ASP 278 Ca -0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.43 2qgf h ASP 278 Cb 1.79 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.56 2qgf h ASP 278 CO 0.14 0.00 -0.20 0.29 -1.57 0.00 0.00 179.24 177.90 2qgf n LYS 279 N -4.11 0.37 -2.86 3.56 4.01 -1.22 -4.80 118.16 113.11 2qgf n LYS 279 Ca 0.01 -0.14 -0.27 0.00 -0.51 0.00 0.00 58.31 57.40 2qgf n LYS 279 Cb 0.27 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.28 2qgf n LYS 279 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2qgf s THR 280 N -2.73 4.95 -0.99 -0.18 -4.23 -0.75 -4.96 115.64 106.76 2qgf s THR 280 Ca 0.21 0.09 0.18 0.00 -1.18 0.00 0.00 61.69 60.99 2qgf s THR 280 Cb 0.19 -3.84 0.15 0.00 1.34 0.00 0.00 72.50 70.34 2qgf s THR 280 CO 0.55 -0.72 1.59 -0.81 -0.54 0.00 0.00 174.62 174.68 2qgf n PRO 281 N -1.98 0.01 0.17 3.99 -0.04 -1.26 -2.77 135.00 133.12 2qgf n PRO 281 Ca -0.01 0.19 0.05 0.00 -0.04 0.00 0.00 63.50 63.70 2qgf n PRO 281 Cb 0.55 -1.51 0.20 0.00 -0.04 0.00 0.00 33.50 32.70 2qgf n PRO 281 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qgf h HIS 282 N 0.00 0.00 -2.69 0.54 3.86 -1.87 -3.44 115.15 111.55 2qgf h HIS 282 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 2qgf h HIS 282 Cb 0.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2qgf h HIS 282 CO 0.00 0.38 1.04 0.00 0.86 0.00 0.00 177.93 180.21 2qgf s ALA 283 N -3.27 3.63 -0.01 2.45 0.00 -1.11 -0.99 121.76 122.46 2qgf s ALA 283 Ca 0.03 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.83 2qgf s ALA 283 Cb 0.09 -3.71 0.02 0.00 0.00 0.00 0.00 23.12 19.51 2qgf s ALA 283 CO 0.70 -1.33 0.81 1.87 0.00 0.00 0.00 175.76 177.82 2qgf n TRP 284 N 6.95 0.00 0.01 0.00 -0.00 -0.80 -4.86 117.44 118.74 2qgf n TRP 284 Ca 0.16 -0.08 -0.04 0.00 -0.00 0.00 0.00 57.50 57.55 2qgf n TRP 284 Cb 0.43 -0.04 0.19 0.00 -0.00 0.00 0.00 31.31 31.89 2qgf n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 2qgf h TYR 285 N 0.00 0.56 -0.04 5.87 -0.00 -1.85 -0.00 116.97 121.51 2qgf h TYR 285 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 58.73 58.38 2qgf h TYR 285 Cb 1.18 -0.13 0.02 0.00 0.00 0.00 0.00 36.73 37.80 2qgf h TYR 285 CO 0.05 0.72 -0.86 0.74 -0.00 0.00 0.00 178.16 178.82 2qgf h PHE 286 N 0.43 0.93 0.00 0.10 0.04 -1.91 -2.42 116.94 114.11 2qgf h PHE 286 Ca 0.06 -0.48 -0.03 0.00 2.80 0.00 0.00 57.97 60.32 2qgf h PHE 286 Cb 0.71 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 2qgf h PHE 286 CO 0.02 1.31 -0.14 1.96 -0.60 0.00 0.00 178.31 180.86 2qgf h GLN 287 N 0.29 0.00 -0.20 1.51 7.50 -1.88 -2.29 115.11 120.05 2qgf h GLN 287 Ca -0.10 0.00 -0.21 0.00 0.50 0.00 0.00 58.65 58.85 2qgf h GLN 287 Cb 1.52 0.00 0.01 0.00 0.05 0.00 0.00 27.48 29.06 2qgf h GLN 287 CO 0.17 0.14 -0.69 0.37 -1.50 0.00 0.00 178.83 177.32 2qgf h GLN 288 N 0.00 0.79 -0.65 1.46 4.15 -0.78 -2.81 115.11 117.26 2qgf h GLN 288 Ca -0.00 -0.58 -0.06 0.00 0.77 0.00 0.00 58.65 58.78 2qgf h GLN 288 Cb 0.42 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 2qgf h GLN 288 CO 0.02 1.20 0.18 0.00 -1.93 0.00 0.00 178.83 178.30 2qgf h ALA 289 N 0.65 1.10 -0.48 3.38 0.00 -0.98 -2.61 119.26 120.33 2qgf h ALA 289 Ca -0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2qgf h ALA 289 Cb 1.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2qgf h ALA 289 CO 0.14 0.61 0.06 0.78 0.00 0.00 0.00 179.25 180.84 2qgf h GLY 290 N 1.05 0.81 2.00 0.00 0.00 -1.37 -2.18 103.07 103.38 2qgf h GLY 290 Ca 0.21 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2qgf h GLY 290 CO -0.00 0.46 0.00 3.43 0.00 0.00 0.00 176.54 180.42 2qgf h ASN 291 N 0.72 0.00 0.03 0.19 2.35 -1.20 -1.57 115.58 116.11 2qgf h ASN 291 Ca 0.15 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2qgf h ASN 291 Cb 0.36 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 2qgf h ASN 291 CO 0.01 0.00 -0.02 1.23 -1.65 0.00 0.00 177.43 177.00 2qgf h GLY 292 N 1.22 0.00 1.38 2.83 0.00 -1.30 -0.94 103.07 106.25 2qgf h GLY 292 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2qgf h GLY 292 CO 0.00 0.00 0.15 -2.22 0.00 0.00 0.00 176.54 174.47 2qgf h ILE 293 N 0.00 1.21 0.00 2.60 1.08 -1.42 -2.07 117.51 118.91 2qgf h ILE 293 Ca -0.00 -0.73 -0.15 0.00 -0.39 0.00 0.00 64.86 63.59 2qgf h ILE 293 Cb 0.04 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 2qgf h ILE 293 CO 0.00 0.28 -1.27 -0.26 -0.69 0.00 0.00 178.15 176.21 2qgf h PHE 294 N 0.76 0.00 -0.03 1.37 0.04 -1.36 -2.07 116.94 115.65 2qgf h PHE 294 Ca 0.17 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.75 2qgf h PHE 294 Cb 0.24 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 2qgf h PHE 294 CO 0.01 0.53 -0.80 0.00 -0.60 0.00 0.00 178.31 177.45 2qgf h ALA 295 N 1.47 0.57 -0.05 2.45 0.00 -1.36 -2.36 119.26 119.97 2qgf h ALA 295 Ca -0.13 -0.66 -0.15 0.00 0.00 0.00 0.00 54.91 53.97 2qgf h ALA 295 Cb 1.52 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.26 2qgf h ALA 295 CO 0.05 0.82 -0.56 0.00 0.00 0.00 0.00 179.25 179.56 2qgf h ARG 296 N 0.19 0.47 -0.51 0.00 3.08 -1.41 -2.73 114.38 113.46 2qgf h ARG 296 Ca -0.04 -0.44 0.03 0.00 0.07 0.00 0.00 59.98 59.60 2qgf h ARG 296 Cb 1.39 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.52 2qgf h ARG 296 CO 0.13 1.08 0.29 1.96 -1.07 0.00 0.00 179.97 182.36 2qgf h GLN 297 N 0.02 0.56 -0.48 0.04 4.20 -1.43 -2.58 115.11 115.44 2qgf h GLN 297 Ca -0.06 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.72 2qgf h GLN 297 Cb 1.24 -0.13 -0.09 0.00 0.30 0.00 0.00 27.48 28.80 2qgf h GLN 297 CO 0.11 0.37 -0.11 0.00 -0.67 0.00 0.00 178.83 178.54 2qgf h ALA 298 N 1.24 0.34 -0.09 3.87 0.00 -1.42 0.16 119.26 123.36 2qgf h ALA 298 Ca 0.21 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 2qgf h ALA 298 Cb 0.06 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qgf h ALA 298 CO -0.11 -0.44 0.06 1.25 0.00 0.00 0.00 179.25 180.01 2qgf h LEU 299 N 0.01 0.11 -0.67 0.00 5.85 -1.22 -0.80 115.31 118.60 2qgf h LEU 299 Ca 0.23 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2qgf h LEU 299 Cb 0.36 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2qgf h LEU 299 CO -0.48 0.11 0.11 -0.07 -0.34 0.00 0.00 178.44 177.77 2qgf h LEU 300 N 0.10 1.05 -0.41 2.25 3.38 -1.05 0.12 115.31 120.76 2qgf h LEU 300 Ca 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2qgf h LEU 300 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2qgf h LEU 300 CO -0.01 1.05 0.19 0.00 0.09 0.00 0.00 178.44 179.76 2qgf h ALA 301 N 1.05 0.53 -0.23 1.53 0.00 -0.57 -2.30 119.26 119.26 2qgf h ALA 301 Ca 0.20 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2qgf h ALA 301 Cb 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qgf h ALA 301 CO 0.01 0.10 -0.49 -0.07 0.00 0.00 0.00 179.25 178.81 2qgf h LEU 302 N 0.52 0.69 -0.36 0.00 3.38 -0.71 -1.94 115.31 116.89 2qgf h LEU 302 Ca 0.14 -0.34 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 2qgf h LEU 302 Cb 0.14 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2qgf h LEU 302 CO -0.02 1.06 -0.82 0.58 0.09 0.00 0.00 178.44 179.33 2qgf h VAL 303 N 0.50 1.56 0.00 1.22 2.07 -0.92 -3.27 116.25 117.42 2qgf h VAL 303 Ca 0.02 -2.74 -0.14 0.00 0.82 0.00 0.00 66.70 64.66 2qgf h VAL 303 Cb 1.03 2.49 -0.03 0.00 -1.52 0.00 0.00 31.29 33.26 2qgf h VAL 303 CO 0.10 0.79 -1.81 0.18 0.02 0.00 0.00 177.57 176.84 2qgf n LEU 304 N -3.59 0.35 -4.72 2.57 4.77 -0.87 -0.13 117.00 115.38 2qgf n LEU 304 Ca -0.01 0.15 -0.35 0.00 -0.03 0.00 0.00 56.01 55.77 2qgf n LEU 304 Cb 0.78 0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.93 2qgf n LEU 304 CO 0.45 0.15 -0.18 0.20 -1.33 0.00 0.00 177.39 176.68 2qgf s ASN 305 N -5.23 6.18 0.39 -1.43 -0.87 -0.73 -4.93 114.94 108.32 2qgf s ASN 305 Ca -0.06 0.21 0.14 0.00 -1.57 0.00 0.00 52.86 51.57 2qgf s ASN 305 Cb 0.10 -2.09 0.80 0.00 -0.02 0.00 0.00 41.25 40.04 2qgf s ASN 305 CO 0.85 0.17 1.86 -0.09 -2.57 0.00 0.00 177.10 177.32 2qgf h ARG 306 N 6.78 0.00 -2.94 -0.60 2.43 -1.88 -3.44 114.38 114.74 2qgf h ARG 306 Ca -0.41 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.63 2qgf h ARG 306 Cb 1.15 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.46 2qgf h ARG 306 CO 0.75 0.33 -0.31 -0.51 -1.51 0.00 0.00 179.97 178.71 2qgf s ASP 307 N -6.91 -0.33 -0.17 -3.80 1.01 -1.26 -1.90 116.67 103.30 2qgf s ASP 307 Ca -0.03 0.60 -0.03 0.00 0.71 0.00 0.00 52.55 53.80 2qgf s ASP 307 Cb 0.15 0.64 -0.02 0.00 1.01 0.00 0.00 42.92 44.70 2qgf s ASP 307 CO 0.71 -0.16 -0.06 -0.76 0.21 0.00 0.00 175.17 175.11 2qgf s LEU 308 N -0.03 2.97 -0.39 1.23 1.43 -1.26 -4.98 118.68 117.64 2qgf s LEU 308 Ca -0.02 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2qgf s LEU 308 Cb -0.03 -1.72 0.28 0.00 0.03 0.00 0.00 46.19 44.76 2qgf s LEU 308 CO 0.01 0.09 1.97 0.52 0.23 0.00 0.00 176.35 179.18 2qgf n VAL 309 N 4.02 2.91 1.37 -1.59 0.31 -1.26 -5.17 118.33 118.92 2qgf n VAL 309 Ca -0.18 -1.86 0.13 0.00 -0.01 0.00 0.00 64.34 62.42 2qgf n VAL 309 Cb 0.52 -1.23 0.41 0.00 -0.91 0.00 0.00 33.84 32.63 2qgf n VAL 309 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69