#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgs h SER 3 N 0.00 0.44 0.00 0.53 0.02 -2.03 -2.36 113.55 110.16 2qgs h SER 3 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2qgs h SER 3 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2qgs h SER 3 CO 0.00 0.25 0.00 0.54 -1.14 0.00 0.00 176.83 176.48 2qgs n ARG 4 N -4.87 0.00 0.00 3.45 1.74 -1.26 -0.83 116.66 114.89 2qgs n ARG 4 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2qgs n ARG 4 Cb 0.27 -0.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 2qgs n ARG 4 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qgs n LYS 6 N 0.49 0.00 -0.17 5.56 5.02 -0.89 -1.65 118.16 126.51 2qgs n LYS 6 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 2qgs n LYS 6 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 2qgs n LYS 6 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2qgs h ILE 7 N 0.00 1.20 -0.75 -0.18 2.04 -1.27 -0.98 117.51 117.57 2qgs h ILE 7 Ca 0.00 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.35 2qgs h ILE 7 Cb 0.00 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 2qgs h ILE 7 CO 0.00 0.22 0.45 0.50 0.00 0.00 0.00 178.15 179.32 2qgs h LYS 8 N 0.67 0.81 -0.65 2.37 1.63 -1.56 0.38 116.57 120.21 2qgs h LYS 8 Ca 0.17 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.85 2qgs h LYS 8 Cb 0.13 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 2qgs h LYS 8 CO -0.02 0.53 0.11 0.87 -3.45 0.00 0.00 179.45 177.49 2qgs h LYS 9 N 0.83 1.08 -0.55 1.90 1.57 -1.73 -1.30 116.57 118.37 2qgs h LYS 9 Ca 0.33 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2qgs h LYS 9 Cb 0.16 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2qgs h LYS 9 CO -0.17 0.99 0.10 0.00 -0.57 0.00 0.00 179.45 179.81 2qgs h ALA 10 N 1.04 1.14 -0.42 3.86 0.00 -0.46 0.04 119.26 124.46 2qgs h ALA 10 Ca 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2qgs h ALA 10 Cb 0.44 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2qgs h ALA 10 CO 0.01 0.57 0.15 -0.92 0.00 0.00 0.00 179.25 179.07 2qgs h TYR 11 N 0.83 0.65 -0.37 0.00 3.20 -0.50 -2.94 116.97 117.84 2qgs h TYR 11 Ca 0.18 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2qgs h TYR 11 Cb 0.35 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2qgs h TYR 11 CO 0.02 0.59 0.16 1.49 -1.64 0.00 0.00 178.16 178.77 2qgs h GLU 12 N 0.53 0.56 -0.36 1.82 4.81 -0.90 -2.35 114.58 118.69 2qgs h GLU 12 Ca 0.14 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2qgs h GLU 12 Cb 0.22 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2qgs h GLU 12 CO -0.01 0.53 0.00 0.98 -0.73 0.00 0.00 179.01 179.78 2qgs n TYR 13 N -4.68 0.00 0.00 0.92 9.36 -0.03 -1.67 117.16 121.06 2qgs n TYR 13 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 2qgs n TYR 13 Cb 0.14 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.83 2qgs n TYR 13 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2qgs n LYS 15 N 0.52 0.00 -0.19 2.98 5.02 -0.89 -1.13 118.16 124.47 2qgs n LYS 15 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2qgs n LYS 15 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 2qgs n LYS 15 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qgs h SER 16 N 0.00 0.99 -0.73 4.39 0.87 -1.60 0.32 113.55 117.79 2qgs h SER 16 Ca 0.00 -0.33 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 2qgs h SER 16 Cb 0.00 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 2qgs h SER 16 CO 0.00 1.08 0.38 0.15 -0.53 0.00 0.00 176.83 177.91 2qgs h PHE 17 N 0.87 1.05 -0.66 2.24 3.57 -1.39 -2.47 116.94 120.15 2qgs h PHE 17 Ca 0.15 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2qgs h PHE 17 Cb 0.61 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2qgs h PHE 17 CO 0.04 0.75 0.00 0.72 -2.23 0.00 0.00 178.31 177.60 2qgs n HIS 18 N -4.33 1.38 0.28 0.41 8.25 -1.13 -4.56 115.22 115.52 2qgs n HIS 18 Ca 0.07 -0.59 0.15 0.00 -0.26 0.00 0.00 57.72 57.10 2qgs n HIS 18 Cb 0.12 -0.19 0.91 0.00 1.12 0.00 0.00 29.99 31.95 2qgs n HIS 18 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 2qgs h GLN 19 N 4.11 0.00 -0.66 -0.41 3.07 -0.44 -1.60 115.11 119.18 2qgs h GLN 19 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2qgs h GLN 19 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.92 2qgs h GLN 19 CO 0.18 0.00 0.00 0.72 0.09 0.00 0.00 178.83 179.82 2qgs n HIS 20 N -3.83 0.96 -3.10 0.06 8.25 -1.26 -4.76 115.22 111.53 2qgs n HIS 20 Ca -0.02 -0.36 -0.44 0.00 -0.26 0.00 0.00 57.72 56.64 2qgs n HIS 20 Cb 0.12 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 30.95 2qgs n HIS 20 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qgs s ASP 21 N -0.60 6.19 0.00 0.41 2.15 -0.60 -4.92 116.67 119.30 2qgs s ASP 21 Ca 0.29 -1.31 0.00 0.00 0.43 0.00 0.00 52.55 51.96 2qgs s ASP 21 Cb 0.20 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 2qgs s ASP 21 CO 0.12 -1.10 0.77 0.35 -0.17 0.00 0.00 175.17 175.13 2qgs n THR 22 N 5.59 0.77 0.00 1.71 -2.24 -1.26 -2.54 114.28 116.31 2qgs n THR 22 Ca -0.09 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2qgs n THR 22 Cb 0.43 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 2qgs n THR 22 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qgs n THR 23 N 0.92 0.00 -0.24 4.28 -2.24 -1.26 -5.00 114.28 110.74 2qgs n THR 23 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qgs n THR 23 Cb 0.31 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2qgs n THR 23 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qgs n GLY 24 N 0.67 1.42 0.22 3.38 0.00 -1.05 -4.85 105.19 104.98 2qgs n GLY 24 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2qgs n GLY 24 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2qgs h HIS 25 N 0.00 -0.47 -0.29 1.61 6.17 -1.95 -0.32 115.15 119.90 2qgs h HIS 25 Ca 0.00 0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.16 2qgs h HIS 25 Cb 0.00 0.23 -0.05 0.00 2.52 0.00 0.00 27.41 30.10 2qgs h HIS 25 CO 0.00 -0.26 -0.06 -0.44 0.71 0.00 0.00 177.93 177.88 2qgs h ASP 26 N -0.24 -0.24 -0.24 3.26 3.45 -1.94 0.86 116.42 121.34 2qgs h ASP 26 Ca 0.09 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 2qgs h ASP 26 Cb 0.37 0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.30 2qgs h ASP 26 CO -0.26 -0.08 0.06 0.40 -1.57 0.00 0.00 179.24 177.79 2qgs h ILE 27 N 0.02 1.21 -0.61 0.35 2.04 -1.85 -1.98 117.51 116.68 2qgs h ILE 27 Ca 0.14 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.36 2qgs h ILE 27 Cb 0.21 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 2qgs h ILE 27 CO -0.29 0.22 0.35 0.00 0.00 0.00 0.00 178.15 178.43 2qgs h ALA 28 N 0.88 0.81 0.02 1.87 0.00 -0.76 -0.78 119.26 121.29 2qgs h ALA 28 Ca 0.07 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2qgs h ALA 28 Cb 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2qgs h ALA 28 CO 0.00 0.04 -0.13 1.25 0.00 0.00 0.00 179.25 180.41 2qgs h HIS 29 N 0.66 -0.33 -0.46 0.00 -0.00 -0.66 -0.68 115.15 113.69 2qgs h HIS 29 Ca 0.26 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.68 2qgs h HIS 29 Cb 0.12 0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.63 2qgs h HIS 29 CO -0.08 -0.19 0.22 0.28 -0.00 0.00 0.00 177.93 178.17 2qgs h VAL 30 N -0.23 0.96 -0.92 5.26 2.07 -0.92 -1.22 116.25 121.25 2qgs h VAL 30 Ca 0.04 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2qgs h VAL 30 Cb 0.27 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 2qgs h VAL 30 CO -0.11 0.08 0.60 -0.33 0.02 0.00 0.00 177.57 177.83 2qgs h GLU 31 N 0.45 1.12 -0.37 1.57 5.08 -0.79 0.15 114.58 121.79 2qgs h GLU 31 Ca 0.20 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2qgs h GLU 31 Cb 0.12 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2qgs h GLU 31 CO -0.15 0.74 -0.04 0.00 -1.00 0.00 0.00 179.01 178.57 2qgs h ARG 32 N 1.16 0.68 -0.45 2.33 3.08 -0.55 0.11 114.38 120.74 2qgs h ARG 32 Ca 0.37 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2qgs h ARG 32 Cb 0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2qgs h ARG 32 CO -0.12 0.81 0.28 0.28 -1.07 0.00 0.00 179.97 180.15 2qgs h VAL 33 N 0.49 1.13 -0.12 2.04 2.07 -0.77 0.10 116.25 121.19 2qgs h VAL 33 Ca 0.10 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2qgs h VAL 33 Cb 0.52 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2qgs h VAL 33 CO 0.03 0.13 0.08 0.22 0.02 0.00 0.00 177.57 178.04 2qgs h TYR 34 N 0.60 0.15 -0.42 1.57 5.03 -0.51 -0.29 116.97 123.10 2qgs h TYR 34 Ca 0.16 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.43 2qgs h TYR 34 Cb -0.03 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.18 2qgs h TYR 34 CO -0.04 0.11 0.07 -0.91 -1.32 0.00 0.00 178.16 176.07 2qgs h ASN 35 N 0.15 0.59 -0.27 -2.11 2.35 -0.43 -1.29 115.58 114.58 2qgs h ASN 35 Ca 0.04 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 2qgs h ASN 35 Cb -0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2qgs h ASN 35 CO -0.01 0.62 0.01 0.78 -1.65 0.00 0.00 177.43 177.17 2qgs h ASN 36 N 0.62 0.46 -0.89 5.81 2.35 -0.47 -2.05 115.58 121.39 2qgs h ASN 36 Ca 0.14 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2qgs h ASN 36 Cb 0.28 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 2qgs h ASN 36 CO 0.00 0.65 0.55 0.00 -1.65 0.00 0.00 177.43 176.98 2qgs h ALA 37 N 0.83 1.14 -0.40 -0.83 0.00 -0.72 -0.29 119.26 118.98 2qgs h ALA 37 Ca 0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2qgs h ALA 37 Cb 0.41 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2qgs h ALA 37 CO 0.01 0.59 -0.16 0.00 0.00 0.00 0.00 179.25 179.69 2qgs h TYR 39 N 0.66 0.33 -0.51 0.00 3.20 -0.78 -2.71 116.97 117.16 2qgs h TYR 39 Ca 0.11 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 2qgs h TYR 39 Cb 0.64 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2qgs h TYR 39 CO 0.03 0.48 0.22 0.82 -1.64 0.00 0.00 178.16 178.08 2qgs h ILE 40 N 0.09 1.21 0.11 1.81 1.08 -0.87 -2.49 117.51 118.45 2qgs h ILE 40 Ca 0.05 -0.62 0.02 0.00 -0.39 0.00 0.00 64.86 63.92 2qgs h ILE 40 Cb 0.34 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.71 2qgs h ILE 40 CO 0.01 0.24 -0.28 0.00 -0.69 0.00 0.00 178.15 177.42 2qgs h ALA 41 N 1.07 -0.47 -0.65 1.87 0.00 -0.70 0.23 119.26 120.60 2qgs h ALA 41 Ca 0.17 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2qgs h ALA 41 Cb 0.17 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2qgs h ALA 41 CO -0.02 -0.82 0.36 -0.22 0.00 0.00 0.00 179.25 178.56 2qgs h LYS 42 N -0.49 0.65 -0.28 0.00 3.64 -1.47 -1.45 116.57 117.17 2qgs h LYS 42 Ca 0.03 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2qgs h LYS 42 Cb 0.52 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2qgs h LYS 42 CO -0.17 0.43 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.29 2qgs h ARG 43 N 0.67 0.45 -0.27 1.90 9.65 -0.95 -0.84 114.38 124.99 2qgs h ARG 43 Ca 0.29 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 2qgs h ARG 43 Cb 0.18 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2qgs h ARG 43 CO -0.18 0.53 0.00 0.39 2.80 0.00 0.00 179.97 183.51 2qgs n GLU 44 N -4.25 1.64 -3.52 0.20 -0.58 0.77 -4.93 120.64 109.97 2qgs n GLU 44 Ca 0.01 -0.99 -0.24 0.00 -0.42 0.00 0.00 57.16 55.51 2qgs n GLU 44 Cb 0.27 -1.22 0.05 0.00 -0.57 0.00 0.00 31.44 29.96 2qgs n GLU 44 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2qgs n ASN 45 N 0.30 -5.88 -4.37 1.62 3.02 -0.32 -4.97 115.26 104.66 2qgs n ASN 45 Ca 0.10 -0.86 -0.39 0.00 -0.03 0.00 0.00 54.58 53.40 2qgs n ASN 45 Cb 0.24 -3.95 -0.12 0.00 -0.61 0.00 0.00 39.78 35.34 2qgs n ASN 45 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qgs s ILE 46 N -3.38 4.37 0.00 2.41 1.01 -0.76 -5.02 121.20 119.83 2qgs s ILE 46 Ca 0.41 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2qgs s ILE 46 Cb -0.12 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2qgs s ILE 46 CO 0.82 -0.12 0.73 0.35 0.00 0.00 0.00 174.94 176.72 2qgs n THR 47 N 4.95 0.00 -2.88 2.92 -2.24 -1.26 -4.47 114.28 111.30 2qgs n THR 47 Ca -0.13 1.23 -0.42 0.00 -2.27 0.00 0.00 64.05 62.47 2qgs n THR 47 Cb 0.47 -2.10 -0.04 0.00 -2.10 0.00 0.00 70.33 66.55 2qgs n THR 47 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qgs s ASP 48 N -2.26 6.73 -0.22 3.42 -1.08 -1.26 -4.92 116.67 117.08 2qgs s ASP 48 Ca 0.00 0.77 0.14 0.00 -0.52 0.00 0.00 52.55 52.94 2qgs s ASP 48 Cb 0.00 -2.44 0.52 0.00 -1.46 0.00 0.00 42.92 39.55 2qgs s ASP 48 CO 0.00 -0.66 1.45 0.35 0.52 0.00 0.00 175.17 176.82 2qgs n THR 49 N 5.58 2.39 0.09 1.71 -2.24 -1.26 -4.72 114.28 115.83 2qgs n THR 49 Ca 0.05 -2.14 -0.13 0.00 -2.27 0.00 0.00 64.05 59.57 2qgs n THR 49 Cb 0.48 -0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.35 2qgs n THR 49 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2qgs h LEU 50 N 1.51 -0.13 -0.23 3.22 5.85 -1.98 -1.24 115.31 122.31 2qgs h LEU 50 Ca 0.08 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2qgs h LEU 50 Cb 1.55 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 2qgs h LEU 50 CO 0.30 -0.08 0.02 0.58 -0.34 0.00 0.00 178.44 178.92 2qgs h VAL 51 N -0.17 0.86 -0.10 1.05 2.07 -1.96 -0.61 116.25 117.39 2qgs h VAL 51 Ca -0.02 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.50 2qgs h VAL 51 Cb 0.13 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2qgs h VAL 51 CO 0.03 0.02 -0.05 0.40 0.02 0.00 0.00 177.57 177.98 2qgs h ILE 52 N 0.09 0.83 -0.58 4.57 2.04 -1.83 -0.14 117.51 122.50 2qgs h ILE 52 Ca 0.11 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 2qgs h ILE 52 Cb 0.13 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2qgs h ILE 52 CO -0.17 0.00 0.21 -0.33 0.00 0.00 0.00 178.15 177.87 2qgs h GLU 53 N -0.05 0.88 -0.34 2.37 5.08 -1.04 -1.19 114.58 120.29 2qgs h GLU 53 Ca 0.06 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2qgs h GLU 53 Cb 0.13 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2qgs h GLU 53 CO -0.13 0.77 0.00 -0.07 -1.00 0.00 0.00 179.01 178.58 2qgs h LEU 54 N 0.80 0.58 -0.25 1.33 3.38 -0.96 -2.18 115.31 118.03 2qgs h LEU 54 Ca 0.19 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2qgs h LEU 54 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2qgs h LEU 54 CO -0.01 0.75 0.14 0.28 0.09 0.00 0.00 178.44 179.69 2qgs h SER 55 N 0.40 0.30 -0.26 -0.43 0.02 -0.93 -1.43 113.55 111.22 2qgs h SER 55 Ca 0.10 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2qgs h SER 55 Cb 0.45 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2qgs h SER 55 CO 0.02 0.27 0.14 0.28 -1.14 0.00 0.00 176.83 176.40 2qgs h SER 56 N 0.30 0.21 0.30 3.07 0.02 -1.19 0.14 113.55 116.39 2qgs h SER 56 Ca 0.09 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 2qgs h SER 56 Cb 0.03 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2qgs h SER 56 CO -0.02 0.16 -0.48 -0.07 -1.14 0.00 0.00 176.83 175.28 2qgs h LEU 57 N 0.29 0.23 -0.78 5.07 3.38 -1.31 -3.33 115.31 118.86 2qgs h LEU 57 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qgs h LEU 57 Cb 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2qgs h LEU 57 CO -0.07 0.68 -0.42 0.18 0.09 0.00 0.00 178.44 178.91 2qgs n LEU 58 N -3.97 1.56 0.29 1.67 4.77 -0.55 -4.59 117.00 116.18 2qgs n LEU 58 Ca -0.02 -0.73 0.17 0.00 -0.03 0.00 0.00 56.01 55.40 2qgs n LEU 58 Cb 0.53 0.00 0.95 0.00 -2.33 0.00 0.00 43.42 42.57 2qgs n LEU 58 CO 0.42 0.30 1.14 1.12 -1.33 0.00 0.00 177.39 179.05 2qgs h HIS 59 N 1.63 0.00 -0.01 -1.77 2.07 -0.84 -2.12 115.15 114.11 2qgs h HIS 59 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2qgs h HIS 59 Cb 0.55 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.53 2qgs h HIS 59 CO 0.00 0.00 -0.32 -3.47 -3.07 0.00 0.00 177.93 171.07 2qgs n ASP 60 N -3.70 1.66 -0.60 3.10 2.03 -1.26 -4.20 116.55 113.58 2qgs n ASP 60 Ca -0.02 -1.30 0.02 0.00 0.52 0.00 0.00 54.79 54.01 2qgs n ASP 60 Cb 0.13 0.27 0.08 0.00 -0.72 0.00 0.00 41.12 40.88 2qgs n ASP 60 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2qgs n THR 61 N -0.16 0.45 -4.37 5.18 -2.24 -0.80 -5.12 114.28 107.22 2qgs n THR 61 Ca 0.12 -0.27 -0.21 0.00 -2.27 0.00 0.00 64.05 61.42 2qgs n THR 61 Cb 0.42 -0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 2qgs n THR 61 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2qgs s VAL 62 N -1.55 0.32 0.00 2.28 -7.23 -1.26 -4.89 120.40 108.07 2qgs s VAL 62 Ca 0.12 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2qgs s VAL 62 Cb 0.08 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.55 2qgs s VAL 62 CO 0.05 0.00 0.07 -1.22 -0.31 0.00 0.00 175.10 173.69 2qgs n TYR 73 N -0.68 0.00 0.07 2.82 4.02 -1.26 -5.10 117.16 117.03 2qgs n TYR 73 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.78 2qgs n TYR 73 Cb 0.64 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.91 2qgs n TYR 73 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 2qgs h ASP 74 N 0.00 -0.30 -0.39 7.72 -0.00 -2.00 0.33 116.42 121.77 2qgs h ASP 74 Ca 0.00 0.04 -0.08 0.00 -0.00 0.00 0.00 57.03 56.99 2qgs h ASP 74 Cb 0.31 0.12 -0.02 0.00 -0.00 0.00 0.00 39.33 39.74 2qgs h ASP 74 CO 0.00 -0.16 -0.03 1.56 -0.00 0.00 0.00 179.24 180.60 2qgs h GLN 75 N -0.21 0.80 -0.27 0.28 4.20 -1.99 -0.93 115.11 116.99 2qgs h GLN 75 Ca 0.02 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.46 2qgs h GLN 75 Cb 0.24 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2qgs h GLN 75 CO -0.07 0.82 -0.02 1.25 -0.67 0.00 0.00 178.83 180.14 2qgs h LEU 76 N 0.74 0.48 -1.31 1.46 5.85 -1.83 -1.91 115.31 118.79 2qgs h LEU 76 Ca 0.14 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 2qgs h LEU 76 Cb 0.50 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2qgs h LEU 76 CO 0.03 0.69 0.21 0.11 -0.34 0.00 0.00 178.44 179.13 2qgs h LYS 77 N 0.25 0.68 0.18 1.25 1.57 -0.19 -0.53 116.57 119.79 2qgs h LYS 77 Ca 0.07 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2qgs h LYS 77 Cb 0.46 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2qgs h LYS 77 CO 0.02 0.55 -0.09 0.37 -0.57 0.00 0.00 179.45 179.73 2qgs h GLN 78 N 0.68 -0.23 0.00 3.15 4.15 -0.89 -0.65 115.11 121.31 2qgs h GLN 78 Ca 0.17 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.60 2qgs h GLN 78 Cb 0.11 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 2qgs h GLN 78 CO -0.02 -0.07 -0.00 0.35 -1.93 0.00 0.00 178.83 177.16 2qgs h PHE 79 N -0.35 -0.01 -0.08 3.99 3.57 -1.03 -1.86 116.94 121.18 2qgs h PHE 79 Ca -0.02 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.50 2qgs h PHE 79 Cb 0.27 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 2qgs h PHE 79 CO -0.03 -0.01 0.10 -0.07 -2.23 0.00 0.00 178.31 176.07 2qgs h LEU 80 N -0.01 0.00 0.00 0.59 3.38 -1.03 0.17 115.31 118.42 2qgs h LEU 80 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qgs h LEU 80 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2qgs h LEU 80 CO -0.00 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.29 2qgs n SER 81 N -3.73 0.00 -0.73 -0.43 2.88 -0.26 -2.48 113.62 108.87 2qgs n SER 81 Ca -0.01 0.21 0.09 0.00 -1.33 0.00 0.00 58.87 57.83 2qgs n SER 81 Cb 0.19 -0.37 0.08 0.00 -0.75 0.00 0.00 64.21 63.35 2qgs n SER 81 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2qgs n THR 82 N -1.37 0.00 0.23 2.46 -2.24 0.61 -4.36 114.28 109.60 2qgs n THR 82 Ca 0.08 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.47 2qgs n THR 82 Cb 0.19 1.38 0.27 0.00 -2.10 0.00 0.00 70.33 70.06 2qgs n THR 82 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qgs n LEU 83 N 1.02 3.29 -3.76 3.22 4.77 -1.03 -4.97 117.00 119.53 2qgs n LEU 83 Ca 0.11 -1.53 -0.27 0.00 -0.03 0.00 0.00 56.01 54.29 2qgs n LEU 83 Cb 0.45 -0.32 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 2qgs n LEU 83 CO 0.11 0.76 -0.12 -0.67 -1.33 0.00 0.00 177.39 176.14 2qgs n ASP 84 N 1.34 -2.71 -4.85 -1.43 2.03 -1.26 -4.97 116.55 104.70 2qgs n ASP 84 Ca 0.20 -0.96 -0.31 0.00 0.52 0.00 0.00 54.79 54.24 2qgs n ASP 84 Cb 0.55 -3.48 -0.05 0.00 -0.72 0.00 0.00 41.12 37.42 2qgs n ASP 84 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2qgs s LEU 85 N -6.65 4.10 0.77 -2.67 1.43 -1.26 -5.10 118.68 109.30 2qgs s LEU 85 Ca 0.21 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 2qgs s LEU 85 Cb -0.07 -2.69 0.05 0.00 0.03 0.00 0.00 46.19 43.52 2qgs s LEU 85 CO 0.86 0.19 1.08 -0.94 0.23 0.00 0.00 176.35 177.77 2qgs s SER 86 N -2.35 4.61 0.31 2.29 1.04 -1.26 -4.77 113.70 113.57 2qgs s SER 86 Ca 0.31 1.64 -0.00 0.00 0.48 0.00 0.00 55.95 58.38 2qgs s SER 86 Cb -0.13 -2.39 0.48 0.00 0.10 0.00 0.00 66.02 64.08 2qgs s SER 86 CO 0.24 -1.94 1.92 0.77 0.98 0.00 0.00 173.24 175.20 2qgs h SER 87 N -1.07 0.81 -0.40 7.02 4.64 -1.98 0.19 113.55 122.76 2qgs h SER 87 Ca -0.45 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2qgs h SER 87 Cb 1.24 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 2qgs h SER 87 CO 0.54 0.67 0.25 -0.08 -0.87 0.00 0.00 176.83 177.35 2qgs h GLU 88 N 0.90 0.53 -0.03 4.77 4.81 -1.98 0.32 114.58 123.90 2qgs h GLU 88 Ca 0.23 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2qgs h GLU 88 Cb 0.07 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2qgs h GLU 88 CO -0.03 0.38 -0.23 0.82 -0.73 0.00 0.00 179.01 179.21 2qgs h ILE 89 N 0.53 1.48 -0.29 2.32 2.04 -1.87 -2.11 117.51 119.63 2qgs h ILE 89 Ca 0.14 -1.76 0.05 0.00 1.00 0.00 0.00 64.86 64.30 2qgs h ILE 89 Cb -0.03 2.52 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 2qgs h ILE 89 CO -0.03 0.49 -0.03 -1.28 0.00 0.00 0.00 178.15 177.30 2qgs h SER 90 N -0.37 -0.19 0.47 1.72 0.87 -0.51 -1.30 113.55 114.23 2qgs h SER 90 Ca -0.02 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 2qgs h SER 90 Cb 0.92 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2qgs h SER 90 CO 0.05 -0.06 -0.39 1.56 -0.53 0.00 0.00 176.83 177.46 2qgs h GLN 91 N 0.04 0.00 0.17 2.24 1.08 -0.45 -2.34 115.11 115.84 2qgs h GLN 91 Ca 0.14 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2qgs h GLN 91 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2qgs h GLN 91 CO -0.26 0.39 -0.08 0.37 -0.95 0.00 0.00 178.83 178.30 2qgs h GLN 92 N 0.00 -0.22 -0.24 1.46 -0.00 -0.55 -0.62 115.11 114.94 2qgs h GLN 92 Ca -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.66 2qgs h GLN 92 Cb 0.73 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.25 2qgs h GLN 92 CO 0.05 -0.09 0.13 0.28 0.00 0.00 0.00 178.83 179.20 2qgs h VAL 93 N -0.29 1.12 -0.41 2.39 2.07 -1.16 -2.01 116.25 117.96 2qgs h VAL 93 Ca -0.02 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2qgs h VAL 93 Cb 0.22 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2qgs h VAL 93 CO 0.04 0.12 0.23 -0.07 0.02 0.00 0.00 177.57 177.91 2qgs h LEU 94 N 0.27 0.37 -0.39 2.57 3.38 -1.36 -0.74 115.31 119.42 2qgs h LEU 94 Ca 0.08 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2qgs h LEU 94 Cb 0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2qgs h LEU 94 CO -0.01 0.27 0.23 0.22 0.09 0.00 0.00 178.44 179.24 2qgs h TYR 95 N 0.47 0.44 0.03 1.13 3.20 -0.97 0.11 116.97 121.39 2qgs h TYR 95 Ca 0.17 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2qgs h TYR 95 Cb 0.03 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.15 2qgs h TYR 95 CO -0.08 0.26 -0.02 0.82 -1.64 0.00 0.00 178.16 177.51 2qgs h ILE 96 N 0.48 0.99 -0.80 1.81 2.04 -1.06 -0.87 117.51 120.10 2qgs h ILE 96 Ca 0.15 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 66.02 2qgs h ILE 96 Cb -0.01 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 2qgs h ILE 96 CO -0.06 0.01 0.49 0.40 0.00 0.00 0.00 178.15 178.99 2qgs h ILE 97 N -0.07 1.03 -0.43 -0.67 2.04 -0.94 -2.58 117.51 115.90 2qgs h ILE 97 Ca -0.00 -0.31 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 2qgs h ILE 97 Cb 0.06 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 2qgs h ILE 97 CO 0.01 0.16 -0.20 0.50 0.00 0.00 0.00 178.15 178.62 2qgs h LYS 98 N 0.89 0.84 -6.29 2.37 3.64 -0.65 -3.49 116.57 113.87 2qgs h LYS 98 Ca 0.35 -0.33 -0.46 0.00 -1.27 0.00 0.00 60.65 58.94 2qgs h LYS 98 Cb 0.16 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2qgs h LYS 98 CO -0.17 0.96 -0.34 -1.01 -2.27 0.00 0.00 179.45 176.62 2qgs s HIS 99 N -4.66 2.84 -0.17 1.91 3.76 -0.36 -5.10 115.29 113.51 2qgs s HIS 99 Ca -0.10 -0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 54.36 2qgs s HIS 99 Cb 0.13 -2.16 -0.04 0.00 1.11 0.00 0.00 32.58 31.62 2qgs s HIS 99 CO 0.84 -0.16 0.05 -1.58 -0.85 0.00 0.00 174.74 173.04 2qgs s HIS 109 N -2.36 3.23 0.17 1.40 2.46 -1.26 -5.03 115.29 113.89 2qgs s HIS 109 Ca 0.49 0.04 0.08 0.00 0.47 0.00 0.00 55.06 56.14 2qgs s HIS 109 Cb -0.07 -2.04 -0.04 0.00 -0.13 0.00 0.00 32.58 30.30 2qgs s HIS 109 CO 0.30 0.17 -0.17 0.14 -2.47 0.00 0.00 174.74 172.71 2qgs s VAL 110 N 0.25 1.73 0.59 0.89 -7.23 -1.26 -5.14 120.40 110.23 2qgs s VAL 110 Ca 0.03 -1.96 -0.14 0.00 -1.81 0.00 0.00 61.98 58.10 2qgs s VAL 110 Cb -0.13 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2qgs s VAL 110 CO 0.01 -0.40 1.03 -0.54 -0.31 0.00 0.00 175.10 174.89 2qgs s LYS 111 N -2.98 3.54 0.34 4.82 1.02 -1.26 -5.07 119.74 120.14 2qgs s LYS 111 Ca 0.16 0.98 0.03 0.00 0.02 0.00 0.00 55.97 57.16 2qgs s LYS 111 Cb -0.04 -2.07 -0.05 0.00 -0.52 0.00 0.00 37.83 35.15 2qgs s LYS 111 CO 0.06 -0.62 0.09 -0.51 -0.92 0.00 0.00 175.35 173.45 2qgs s LEU 112 N -4.67 2.01 0.91 3.17 1.43 -1.26 -5.11 118.68 115.16 2qgs s LEU 112 Ca 0.59 -1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.10 2qgs s LEU 112 Cb -0.12 -0.21 0.14 0.00 0.03 0.00 0.00 46.19 46.02 2qgs s LEU 112 CO 0.42 -0.74 1.12 -0.94 0.23 0.00 0.00 176.35 176.44 2qgs s SER 113 N -3.49 3.46 0.44 2.29 1.04 -1.26 -4.65 113.70 111.53 2qgs s SER 113 Ca 0.33 1.06 0.17 0.00 0.48 0.00 0.00 55.95 57.99 2qgs s SER 113 Cb 0.07 -1.67 1.10 0.00 0.10 0.00 0.00 66.02 65.61 2qgs s SER 113 CO 0.15 -2.59 1.91 -0.29 0.98 0.00 0.00 173.24 173.40 2qgs h ILE 114 N -1.52 0.76 -0.60 -1.02 2.10 -2.01 0.18 117.51 115.40 2qgs h ILE 114 Ca -0.51 -0.13 -0.04 0.00 1.08 0.00 0.00 64.86 65.26 2qgs h ILE 114 Cb 1.32 0.36 -0.03 0.00 -1.09 0.00 0.00 36.82 37.39 2qgs h ILE 114 CO 0.61 0.07 0.21 0.44 -1.08 0.00 0.00 178.15 178.39 2qgs h ASP 115 N 0.37 0.86 -0.05 2.19 5.19 -2.00 -0.89 116.42 122.09 2qgs h ASP 115 Ca 0.38 -0.19 -0.20 0.00 -0.62 0.00 0.00 57.03 56.39 2qgs h ASP 115 Cb 0.94 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.23 2qgs h ASP 115 CO -0.12 0.82 -0.72 1.23 -3.12 0.00 0.00 179.24 177.34 2qgs h GLY 116 N 0.85 0.76 2.00 2.75 0.00 -1.10 -2.72 103.07 105.61 2qgs h GLY 116 Ca 0.20 -1.04 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 2qgs h GLY 116 CO -0.01 0.92 -0.22 0.83 0.00 0.00 0.00 176.54 178.06 2qgs h GLU 117 N 0.49 0.00 -0.03 4.80 4.39 -0.60 -0.89 114.58 122.74 2qgs h GLU 117 Ca -0.03 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.41 2qgs h GLU 117 Cb 1.33 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.99 2qgs h GLU 117 CO 0.14 0.22 -1.00 0.82 -1.16 0.00 0.00 179.01 178.04 2qgs h ILE 118 N 0.00 1.28 -0.65 3.13 2.04 -1.08 -0.63 117.51 121.61 2qgs h ILE 118 Ca -0.00 -2.21 -0.08 0.00 1.00 0.00 0.00 64.86 63.57 2qgs h ILE 118 Cb 0.57 2.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 2qgs h ILE 118 CO 0.03 0.69 0.11 0.58 0.00 0.00 0.00 178.15 179.55 2qgs h VAL 119 N 0.41 1.26 -0.28 1.67 2.07 -1.16 -1.04 116.25 119.19 2qgs h VAL 119 Ca -0.11 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2qgs h VAL 119 Cb 1.64 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2qgs h VAL 119 CO 0.20 0.38 0.18 0.03 0.02 0.00 0.00 177.57 178.37 2qgs h ARG 120 N 0.99 0.37 -0.62 1.57 3.08 -1.07 -1.44 114.38 117.26 2qgs h ARG 120 Ca 0.20 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.23 2qgs h ARG 120 Cb 0.42 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2qgs h ARG 120 CO 0.01 0.26 0.40 -0.44 -1.07 0.00 0.00 179.97 179.14 2qgs h ASP 121 N 0.36 0.68 -0.72 7.04 3.32 -0.76 0.10 116.42 126.45 2qgs h ASP 121 Ca 0.10 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2qgs h ASP 121 Cb -0.02 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2qgs h ASP 121 CO -0.02 0.49 0.37 0.00 -1.72 0.00 0.00 179.24 178.35 2qgs h ALA 122 N 1.24 0.92 -0.31 3.45 0.00 -0.95 0.12 119.26 123.72 2qgs h ALA 122 Ca 0.23 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2qgs h ALA 122 Cb -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2qgs h ALA 122 CO -0.07 0.47 -0.12 0.22 0.00 0.00 0.00 179.25 179.75 2qgs h ASP 123 N 1.00 0.64 -0.79 0.00 3.58 -0.94 -3.00 116.42 116.90 2qgs h ASP 123 Ca 0.25 -0.39 -0.05 0.00 0.42 0.00 0.00 57.03 57.26 2qgs h ASP 123 Cb 0.09 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 2qgs h ASP 123 CO -0.04 0.89 0.30 -0.09 -2.88 0.00 0.00 179.24 177.42 2qgs h ARG 124 N 0.39 1.19 -0.74 0.28 2.43 -0.44 -2.62 114.38 114.87 2qgs h ARG 124 Ca 0.07 -0.22 0.05 0.00 -0.81 0.00 0.00 59.98 59.07 2qgs h ARG 124 Cb 0.63 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 2qgs h ARG 124 CO 0.04 0.97 0.49 -0.07 -1.51 0.00 0.00 179.97 179.88 2qgs h LEU 125 N 1.15 0.72 0.00 3.80 3.38 -0.71 -0.41 115.31 123.24 2qgs h LEU 125 Ca 0.26 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2qgs h LEU 125 Cb 0.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2qgs h LEU 125 CO -0.02 0.48 0.00 -0.67 0.09 0.00 0.00 178.44 178.32 2qgs n ASP 126 N -4.47 0.00 0.01 -0.43 2.03 -0.99 -2.19 116.55 110.51 2qgs n ASP 126 Ca 0.10 0.41 0.12 0.00 0.52 0.00 0.00 54.79 55.95 2qgs n ASP 126 Cb 0.18 -0.46 0.25 0.00 -0.72 0.00 0.00 41.12 40.38 2qgs n ASP 126 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qgs n ALA 127 N -1.46 3.37 -4.73 -1.67 0.00 -0.16 -3.89 120.51 111.97 2qgs n ALA 127 Ca 0.04 -0.32 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 2qgs n ALA 127 Cb 0.16 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 2qgs n ALA 127 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2qgs n ILE 128 N -1.62 0.00 -4.04 0.00 -5.35 -0.93 -4.18 119.36 103.24 2qgs n ILE 128 Ca 0.05 -2.35 0.00 0.00 -0.27 0.00 0.00 62.75 60.18 2qgs n ILE 128 Cb 0.36 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 2qgs n ILE 128 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qgs n GLY 129 N -0.93 -1.85 0.35 3.28 0.00 -1.25 -2.12 105.19 102.67 2qgs n GLY 129 Ca -0.20 -1.37 0.06 0.00 0.00 0.00 0.00 46.02 44.50 2qgs n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qgs h ALA 130 N -0.04 1.66 -0.15 4.61 0.00 -1.95 -1.07 119.26 122.32 2qgs h ALA 130 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2qgs h ALA 130 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2qgs h ALA 130 CO 0.00 0.22 -0.15 0.82 0.00 0.00 0.00 179.25 180.15 2qgs h ILE 131 N 0.80 1.34 -0.96 0.00 2.04 -1.90 -1.68 117.51 117.16 2qgs h ILE 131 Ca 0.32 -1.30 0.06 0.00 1.00 0.00 0.00 64.86 64.93 2qgs h ILE 131 Cb 0.23 1.86 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 2qgs h ILE 131 CO -0.11 0.38 0.62 1.23 0.00 0.00 0.00 178.15 180.28 2qgs h GLY 132 N -0.00 1.42 0.85 5.37 0.00 -0.88 0.19 103.07 110.01 2qgs h GLY 132 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2qgs h GLY 132 CO 0.04 0.35 0.04 -2.22 0.00 0.00 0.00 176.54 174.75 2qgs h ILE 133 N 1.14 1.18 -0.55 2.60 2.04 -1.15 -0.71 117.51 122.07 2qgs h ILE 133 Ca 0.40 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.72 2qgs h ILE 133 Cb 0.12 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2qgs h ILE 133 CO -0.15 0.17 0.35 0.00 0.00 0.00 0.00 178.15 178.52 2qgs h ALA 134 N 0.86 0.70 -0.63 1.87 0.00 -0.49 -1.43 119.26 120.14 2qgs h ALA 134 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qgs h ALA 134 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2qgs h ALA 134 CO -0.00 0.09 0.30 -0.09 0.00 0.00 0.00 179.25 179.55 2qgs h ARG 135 N 0.70 0.91 -0.29 0.00 2.43 -0.52 -1.31 114.38 116.30 2qgs h ARG 135 Ca 0.21 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2qgs h ARG 135 Cb -0.02 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 2qgs h ARG 135 CO -0.07 0.73 0.16 1.15 -1.51 0.00 0.00 179.97 180.43 2qgs h THR 136 N 0.87 1.02 -0.20 0.20 2.02 -0.64 -1.51 112.91 114.68 2qgs h THR 136 Ca 0.22 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 67.18 2qgs h THR 136 Cb 0.12 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2qgs h THR 136 CO -0.03 0.06 -0.31 -0.26 0.37 0.00 0.00 175.52 175.35 2qgs h PHE 137 N 0.34 0.45 -0.38 3.16 0.04 -1.09 -2.28 116.94 117.18 2qgs h PHE 137 Ca 0.12 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2qgs h PHE 137 Cb 0.01 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2qgs h PHE 137 CO -0.08 0.67 0.21 1.96 -0.60 0.00 0.00 178.31 180.47 2qgs h GLN 138 N 0.34 0.52 -0.50 1.51 4.20 -0.76 -0.70 115.11 119.73 2qgs h GLN 138 Ca 0.04 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2qgs h GLN 138 Cb 0.72 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2qgs h GLN 138 CO 0.05 0.42 0.33 0.74 -0.67 0.00 0.00 178.83 179.70 2qgs h PHE 139 N 0.49 0.63 -0.82 2.96 0.04 -1.12 0.19 116.94 119.31 2qgs h PHE 139 Ca 0.13 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 2qgs h PHE 139 Cb 0.05 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 2qgs h PHE 139 CO -0.03 0.41 0.49 0.66 -0.60 0.00 0.00 178.31 179.24 2qgs h SER 140 N 0.68 1.00 -0.39 2.17 4.64 -1.11 -0.05 113.55 120.48 2qgs h SER 140 Ca 0.18 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 2qgs h SER 140 Cb -0.07 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 2qgs h SER 140 CO -0.04 0.77 -0.03 1.23 -0.87 0.00 0.00 176.83 177.90 2qgs h GLY 141 N 1.13 0.77 0.80 -0.77 0.00 -0.64 0.92 103.07 105.27 2qgs h GLY 141 Ca 0.30 -0.59 0.06 0.00 0.00 0.00 0.00 47.33 47.10 2qgs h GLY 141 CO -0.05 0.54 0.62 0.84 0.00 0.00 0.00 176.54 178.48 2qgs h HIS 142 N 0.53 1.12 -0.01 5.60 6.17 -0.01 -1.21 115.15 127.34 2qgs h HIS 142 Ca 0.11 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.22 2qgs h HIS 142 Cb 0.52 -0.37 0.00 0.00 2.52 0.00 0.00 27.41 30.08 2qgs h HIS 142 CO 0.04 0.59 -0.08 1.19 0.71 0.00 0.00 177.93 180.38 2qgs n PHE 143 N -4.49 0.00 -2.37 5.26 3.72 -0.09 -4.94 117.46 114.55 2qgs n PHE 143 Ca 0.15 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.44 2qgs n PHE 143 Cb 0.19 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 2qgs n PHE 143 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qgs n GLY 144 N 1.23 0.02 3.91 1.37 0.00 0.41 -5.02 105.19 107.10 2qgs n GLY 144 Ca 0.17 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 2qgs n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qgs s GLU 145 N -4.74 3.62 0.00 1.61 2.02 0.29 -4.99 118.70 116.50 2qgs s GLU 145 Ca 0.06 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.07 2qgs s GLU 145 Cb -0.03 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.61 2qgs s GLU 145 CO 0.08 0.14 0.00 -0.35 0.02 0.00 0.00 175.26 175.14 2qgs n PRO 146 N -1.23 1.69 -1.13 0.39 -0.04 -1.26 -4.50 135.00 128.91 2qgs n PRO 146 Ca -0.02 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 2qgs n PRO 146 Cb 0.54 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.15 2qgs n PRO 146 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 2qgs s TRP 148 N 0.00 2.21 0.04 0.54 -0.00 -1.26 -1.99 118.94 118.48 2qgs s TRP 148 Ca 0.00 1.29 -0.01 0.00 -0.00 0.00 0.00 56.10 57.39 2qgs s TRP 148 Cb 0.00 -3.17 -0.03 0.00 -0.00 0.00 0.00 33.47 30.27 2qgs s TRP 148 CO 0.00 -2.51 -0.03 0.95 -0.00 0.00 0.00 176.95 175.36 2qgs s THR 149 N -2.88 0.21 0.21 5.86 -4.23 -1.26 -5.03 115.64 108.51 2qgs s THR 149 Ca 0.64 -1.55 -0.30 0.00 -1.18 0.00 0.00 61.69 59.30 2qgs s THR 149 Cb -0.19 -1.16 -0.08 0.00 1.34 0.00 0.00 72.50 72.41 2qgs s THR 149 CO 0.57 -0.85 0.96 -1.61 -0.54 0.00 0.00 174.62 173.16 2qgs s GLU 150 N -3.19 4.80 0.08 3.99 0.41 -1.26 -5.05 118.70 118.48 2qgs s GLU 150 Ca 0.00 1.50 0.03 0.00 -0.41 0.00 0.00 54.97 56.10 2qgs s GLU 150 Cb 0.03 -3.30 -0.03 0.00 -1.78 0.00 0.00 34.13 29.04 2qgs s GLU 150 CO -0.07 0.41 -0.09 -0.08 -0.49 0.00 0.00 175.26 174.94 2qgs s THR 151 N -0.85 0.76 -1.55 3.63 -1.32 -1.26 -5.02 115.64 110.03 2qgs s THR 151 Ca 0.43 -1.49 0.26 0.00 -1.21 0.00 0.00 61.69 59.68 2qgs s THR 151 Cb -0.26 -1.16 0.20 0.00 -1.51 0.00 0.00 72.50 69.77 2qgs s THR 151 CO 0.32 -0.55 1.52 2.29 -2.21 0.00 0.00 174.62 176.00 2qgs n LYS 152 N 0.78 0.61 -2.56 7.08 -0.00 -1.26 -4.88 118.16 117.92 2qgs n LYS 152 Ca -0.18 -0.36 -0.37 0.00 -0.00 0.00 0.00 58.31 57.40 2qgs n LYS 152 Cb 0.57 -1.49 -0.04 0.00 -0.00 0.00 0.00 35.03 34.06 2qgs n LYS 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2qgs s LEU 153 N -2.64 4.21 0.61 -5.58 1.43 -1.26 -5.02 118.68 110.43 2qgs s LEU 153 Ca 0.21 2.04 -0.14 0.00 -1.03 0.00 0.00 54.13 55.21 2qgs s LEU 153 Cb 0.19 -4.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 2qgs s LEU 153 CO 0.57 -0.40 1.04 -0.94 0.23 0.00 0.00 176.35 176.85 2qgs s SER 154 N -1.49 5.91 0.34 2.29 1.04 -1.26 -4.90 113.70 115.63 2qgs s SER 154 Ca 0.55 1.66 0.07 0.00 0.48 0.00 0.00 55.95 58.71 2qgs s SER 154 Cb -0.23 -2.51 0.76 0.00 0.10 0.00 0.00 66.02 64.14 2qgs s SER 154 CO 0.29 -1.08 1.88 0.78 0.98 0.00 0.00 173.24 176.09 2qgs h ASN 155 N 0.14 0.71 -0.45 7.02 2.35 -1.98 0.09 115.58 123.46 2qgs h ASN 155 Ca -0.46 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.25 2qgs h ASN 155 Cb 1.21 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 2qgs h ASN 155 CO 0.59 0.38 0.02 -0.33 -1.65 0.00 0.00 177.43 176.43 2qgs h GLU 156 N 0.76 0.85 0.00 0.81 3.07 -2.02 -2.68 114.58 115.36 2qgs h GLU 156 Ca 0.44 -0.23 -0.05 0.00 -0.50 0.00 0.00 59.36 59.02 2qgs h GLU 156 Cb 0.61 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 2qgs h GLU 156 CO -0.20 0.83 -0.25 0.93 -1.40 0.00 0.00 179.01 178.93 2qgs h GLU 157 N 0.79 0.00 0.00 2.33 5.08 -1.35 -2.80 114.58 118.63 2qgs h GLU 157 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2qgs h GLU 157 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2qgs h GLU 157 CO 0.02 0.25 0.00 -0.07 -1.00 0.00 0.00 179.01 178.21 2qgs h LEU 158 N 0.00 0.00 -1.09 1.33 4.07 -1.08 -0.99 115.31 117.56 2qgs h LEU 158 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2qgs h LEU 158 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 2qgs h LEU 158 CO 0.03 0.00 0.00 1.41 -1.08 0.00 0.00 178.44 178.80 2qgs n HIS 159 N -2.59 0.22 -4.28 1.13 8.25 -1.06 -4.51 115.22 112.37 2qgs n HIS 159 Ca -0.01 -0.11 -0.29 0.00 -0.26 0.00 0.00 57.72 57.05 2qgs n HIS 159 Cb 0.14 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 2qgs n HIS 159 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2qgs n THR 160 N 0.30 0.00 0.29 1.59 -2.24 -0.37 -5.00 114.28 108.85 2qgs n THR 160 Ca 0.16 -2.31 0.20 0.00 -2.27 0.00 0.00 64.05 59.82 2qgs n THR 160 Cb 0.32 0.21 1.05 0.00 -2.10 0.00 0.00 70.33 69.80 2qgs n THR 160 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2qgs h SER 161 N 0.92 0.00 -0.02 3.42 4.64 -1.90 -1.83 113.55 118.78 2qgs h SER 161 Ca -0.39 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.94 2qgs h SER 161 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2qgs h SER 161 CO 0.62 0.00 0.09 -0.07 -0.87 0.00 0.00 176.83 176.60 2qgs h LEU 162 N 0.00 0.00 -2.39 5.97 3.38 -1.92 -1.35 115.31 118.99 2qgs h LEU 162 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qgs h LEU 162 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2qgs h LEU 162 CO 0.00 0.00 0.06 1.62 0.09 0.00 0.00 178.44 180.21 2qgs h VAL 163 N 0.00 0.52 0.00 1.22 3.04 -1.50 -1.36 116.25 118.17 2qgs h VAL 163 Ca 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 2qgs h VAL 163 Cb 0.19 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 2qgs h VAL 163 CO -0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.23 2qgs h GLU 164 N 0.00 0.00 0.00 4.17 5.08 -1.49 -2.15 114.58 120.18 2qgs h GLU 164 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2qgs h GLU 164 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2qgs h GLU 164 CO -0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 2qgs n GLU 165 N -2.82 0.01 -2.55 2.33 1.02 -0.51 -4.84 120.64 113.28 2qgs n GLU 165 Ca -0.01 0.04 -0.33 0.00 -0.02 0.00 0.00 57.16 56.84 2qgs n GLU 165 Cb 0.16 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 2qgs n GLU 165 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qgs s LEU 166 N -3.07 3.77 0.51 -4.62 1.43 -0.81 -5.03 118.68 110.85 2qgs s LEU 166 Ca 0.13 1.70 -0.20 0.00 -1.03 0.00 0.00 54.13 54.73 2qgs s LEU 166 Cb 0.18 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.79 2qgs s LEU 166 CO 0.51 -0.59 1.07 -1.81 0.23 0.00 0.00 176.35 175.76 2qgs s ASP 167 N -2.53 6.08 0.28 2.29 -0.00 -1.26 -4.94 116.67 116.60 2qgs s ASP 167 Ca 0.62 2.02 -0.30 0.00 -0.00 0.00 0.00 52.55 54.89 2qgs s ASP 167 Cb -0.11 -2.57 -0.12 0.00 -0.00 0.00 0.00 42.92 40.12 2qgs s ASP 167 CO 0.23 -0.96 1.51 0.59 -0.00 0.00 0.00 175.17 176.54 2qgs n ASN 168 N -1.12 3.42 -3.43 0.27 3.02 -1.26 -4.89 115.26 111.26 2qgs n ASN 168 Ca 0.10 1.15 -0.12 0.00 -0.03 0.00 0.00 54.58 55.68 2qgs n ASN 168 Cb 0.52 -1.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.13 2qgs n ASN 168 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qgs s SER 169 N 0.34 -0.56 0.19 6.41 1.04 -1.26 -4.28 113.70 115.58 2qgs s SER 169 Ca 0.64 0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.99 2qgs s SER 169 Cb -0.55 0.58 0.11 0.00 0.10 0.00 0.00 66.02 66.25 2qgs s SER 169 CO 0.51 -0.92 1.83 0.00 0.98 0.00 0.00 173.24 175.63 2qgs h ALA 170 N 2.06 0.82 -0.64 5.32 0.00 -1.73 -2.53 119.26 122.56 2qgs h ALA 170 Ca -0.33 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2qgs h ALA 170 Cb 1.29 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2qgs h ALA 170 CO 0.37 0.29 0.18 0.82 0.00 0.00 0.00 179.25 180.91 2qgs h ILE 171 N 0.87 1.24 -0.68 0.00 1.08 -1.97 -2.30 117.51 115.76 2qgs h ILE 171 Ca 0.23 -0.87 0.11 0.00 -0.39 0.00 0.00 64.86 63.94 2qgs h ILE 171 Cb -0.02 0.56 -0.08 0.00 -3.07 0.00 0.00 36.82 34.21 2qgs h ILE 171 CO -0.04 0.33 0.28 0.50 -0.69 0.00 0.00 178.15 178.53 2qgs h LYS 172 N 0.96 0.45 -0.06 2.37 3.64 -1.80 0.36 116.57 122.49 2qgs h LYS 172 Ca 0.21 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2qgs h LYS 172 Cb 0.31 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2qgs h LYS 172 CO -0.00 0.30 0.05 1.25 -2.27 0.00 0.00 179.45 178.78 2qgs h HIS 173 N 0.47 0.00 0.02 1.91 2.76 -1.13 -0.19 115.15 118.99 2qgs h HIS 173 Ca 0.35 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2qgs h HIS 173 Cb 0.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2qgs h HIS 173 CO -0.15 0.00 -0.01 0.74 -1.30 0.00 0.00 177.93 177.21 2qgs h PHE 174 N 0.00 -0.03 -0.19 5.26 0.05 -0.82 -1.25 116.94 119.97 2qgs h PHE 174 Ca 0.03 -0.00 -0.18 0.00 3.82 0.00 0.00 57.97 61.64 2qgs h PHE 174 Cb 0.13 0.01 -0.00 0.00 2.00 0.00 0.00 35.95 38.09 2qgs h PHE 174 CO 0.00 0.15 -0.60 1.88 -0.18 0.00 0.00 178.31 179.56 2qgs h TYR 175 N -0.20 0.79 0.00 -0.55 -1.99 -1.24 -0.93 116.97 112.85 2qgs h TYR 175 Ca -0.00 -0.30 -0.18 0.00 2.00 0.00 0.00 58.73 60.24 2qgs h TYR 175 Cb 0.19 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 38.75 2qgs h TYR 175 CO -0.02 1.06 -0.88 1.49 -0.00 0.00 0.00 178.16 179.82 2qgs h GLU 176 N 0.46 0.01 0.00 4.88 4.81 -1.09 -3.44 114.58 120.21 2qgs h GLU 176 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2qgs h GLU 176 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2qgs h GLU 176 CO 0.12 0.88 -0.12 1.17 -0.73 0.00 0.00 179.01 180.32 2qgs n LYS 177 N -3.51 0.00 -0.13 1.92 0.00 -0.52 -4.90 118.16 111.03 2qgs n LYS 177 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.26 2qgs n LYS 177 Cb 0.83 -0.17 0.04 0.00 0.00 0.00 0.00 35.03 35.74 2qgs n LYS 177 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2qgs h LEU 178 N 0.00 -0.08 0.00 3.14 3.38 -1.29 -1.98 115.31 118.48 2qgs h LEU 178 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qgs h LEU 178 Cb 0.12 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2qgs h LEU 178 CO 0.00 -0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 2qgs n PHE 179 N -5.15 0.00 0.89 1.13 0.99 -0.36 -2.47 117.46 112.49 2qgs n PHE 179 Ca 0.03 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.59 2qgs n PHE 179 Cb 0.21 -0.45 -0.10 0.00 -1.00 0.00 0.00 39.48 38.14 2qgs n PHE 179 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2qgs n LYS 180 N -1.45 0.07 0.01 -1.08 5.02 -0.75 -4.52 118.16 115.46 2qgs n LYS 180 Ca 0.03 -0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.22 2qgs n LYS 180 Cb 0.10 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.70 2qgs n LYS 180 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qgs h LEU 181 N 0.00 0.57 -0.47 -0.35 3.38 -1.45 -3.27 115.31 113.72 2qgs h LEU 181 Ca 0.00 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.73 2qgs h LEU 181 Cb 0.56 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2qgs h LEU 181 CO 0.00 0.95 0.23 0.50 0.09 0.00 0.00 178.44 180.22 2qgs h LYS 182 N 0.42 0.45 0.00 1.13 3.11 -1.79 -0.95 116.57 118.94 2qgs h LYS 182 Ca 0.03 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2qgs h LYS 182 Cb 0.98 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 2qgs h LYS 182 CO 0.09 0.30 0.00 -0.25 -2.81 0.00 0.00 179.45 176.78 2qgs n ASP 183 N -4.90 0.00 -4.35 4.20 10.43 -1.23 -4.89 116.55 115.81 2qgs n ASP 183 Ca 0.03 -0.05 -0.46 0.00 2.57 0.00 0.00 54.79 56.89 2qgs n ASP 183 Cb 0.12 -0.21 -0.02 0.00 1.84 0.00 0.00 41.12 42.85 2qgs n ASP 183 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2qgs s LEU 184 N -2.42 6.49 0.12 0.64 1.43 -0.37 -5.18 118.68 119.39 2qgs s LEU 184 Ca 0.15 -2.80 0.00 0.00 -1.03 0.00 0.00 54.13 50.45 2qgs s LEU 184 Cb 0.09 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2qgs s LEU 184 CO 0.19 -0.57 0.00 1.57 0.23 0.00 0.00 176.35 177.77 2qgs n HIS 186 N 4.04 -1.03 -2.78 0.29 -0.00 -1.26 -5.03 115.22 109.45 2qgs n HIS 186 Ca 0.17 0.18 -0.33 0.00 0.46 0.00 0.00 57.72 58.20 2qgs n HIS 186 Cb 0.46 0.44 -0.06 0.00 -0.12 0.00 0.00 29.99 30.71 2qgs n HIS 186 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 2qgs s THR 187 N -2.00 4.43 0.40 3.57 -4.23 -1.26 -4.95 115.64 111.59 2qgs s THR 187 Ca 0.00 1.42 0.08 0.00 -1.18 0.00 0.00 61.69 62.01 2qgs s THR 187 Cb 0.00 -3.62 0.22 0.00 1.34 0.00 0.00 72.50 70.44 2qgs s THR 187 CO 0.00 -0.36 1.99 -0.65 -0.54 0.00 0.00 174.62 175.06 2qgs h PRO 188 N 1.79 0.41 -0.35 3.99 0.11 -2.00 -0.97 132.00 134.99 2qgs h PRO 188 Ca -0.49 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.45 2qgs h PRO 188 Cb 1.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2qgs h PRO 188 CO 0.61 0.37 -0.25 1.15 -0.21 0.00 0.00 178.00 179.67 2qgs h THR 189 N 0.41 1.29 -0.60 -1.15 2.02 -1.94 -1.96 112.91 110.98 2qgs h THR 189 Ca 0.10 -1.40 -0.09 0.00 0.77 0.00 0.00 66.41 65.79 2qgs h THR 189 Cb 0.13 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2qgs h THR 189 CO -0.01 0.46 0.03 0.00 0.37 0.00 0.00 175.52 176.37 2qgs h ALA 190 N 0.77 0.92 -0.56 6.16 0.00 -1.84 -1.78 119.26 122.93 2qgs h ALA 190 Ca 0.07 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2qgs h ALA 190 Cb 0.82 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2qgs h ALA 190 CO 0.07 0.65 0.35 0.87 0.00 0.00 0.00 179.25 181.19 2qgs h LYS 191 N 0.94 0.68 -0.06 0.00 1.57 -1.02 0.15 116.57 118.84 2qgs h LYS 191 Ca 0.18 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2qgs h LYS 191 Cb 0.50 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2qgs h LYS 191 CO 0.02 0.45 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.12 2qgs h LYS 192 N 0.71 -0.01 -0.67 3.15 1.63 -1.00 -0.31 116.57 120.06 2qgs h LYS 192 Ca 0.22 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.96 2qgs h LYS 192 Cb -0.03 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 2qgs h LYS 192 CO -0.07 -0.01 0.21 -0.07 -3.45 0.00 0.00 179.45 176.06 2qgs h LEU 193 N -0.01 0.95 -1.00 5.20 3.38 -1.06 -2.75 115.31 120.01 2qgs h LEU 193 Ca 0.03 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2qgs h LEU 193 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2qgs h LEU 193 CO -0.07 0.89 -0.12 0.00 0.09 0.00 0.00 178.44 179.23 2qgs h ALA 194 N 1.24 1.17 -0.76 1.53 0.00 -0.32 -2.92 119.26 119.19 2qgs h ALA 194 Ca 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2qgs h ALA 194 Cb 0.28 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2qgs h ALA 194 CO -0.01 0.53 0.34 0.93 0.00 0.00 0.00 179.25 181.04 2qgs h GLU 195 N 0.54 1.11 0.13 0.00 5.08 -0.76 0.24 114.58 120.93 2qgs h GLU 195 Ca 0.10 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2qgs h GLU 195 Cb 0.52 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2qgs h GLU 195 CO 0.03 0.88 -0.06 1.49 -1.00 0.00 0.00 179.01 180.34 2qgs h GLU 196 N 1.10 -0.17 -0.16 2.33 4.81 -1.49 -0.16 114.58 120.83 2qgs h GLU 196 Ca 0.26 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 2qgs h GLU 196 Cb 0.15 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2qgs h GLU 196 CO -0.03 0.03 -0.24 0.00 -0.73 0.00 0.00 179.01 178.04 2qgs h ARG 197 N -0.34 0.29 -0.05 1.92 3.08 -1.34 -1.31 114.38 116.64 2qgs h ARG 197 Ca -0.02 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2qgs h ARG 197 Cb 0.27 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 2qgs h ARG 197 CO 0.03 0.52 -0.00 1.25 -1.07 0.00 0.00 179.97 180.70 2qgs h HIS 198 N 0.26 0.09 -1.01 3.04 2.76 -0.37 -2.79 115.15 117.14 2qgs h HIS 198 Ca 0.04 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.28 2qgs h HIS 198 Cb 0.58 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.44 2qgs h HIS 198 CO 0.01 0.37 0.65 0.37 -1.30 0.00 0.00 177.93 178.03 2qgs h GLN 199 N -0.22 1.10 -1.67 5.26 4.15 -0.80 -2.25 115.11 120.69 2qgs h GLN 199 Ca 0.01 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2qgs h GLN 199 Cb 0.33 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2qgs h GLN 199 CO 0.00 0.73 0.00 0.34 -1.93 0.00 0.00 178.83 177.97 2qgs n PHE 200 N -4.53 0.00 0.00 3.99 -0.00 -0.52 -1.76 117.46 114.65 2qgs n PHE 200 Ca 0.16 -0.10 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 2qgs n PHE 200 Cb 0.22 -0.13 0.00 0.00 -0.00 0.00 0.00 39.48 39.58 2qgs n PHE 200 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 2qgs n ILE 202 N 0.85 0.00 -0.35 -2.13 2.08 -0.85 -0.60 119.36 118.36 2qgs n ILE 202 Ca 0.00 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.30 2qgs n ILE 202 Cb 0.11 0.00 0.13 0.00 -0.75 0.00 0.00 39.64 39.12 2qgs n ILE 202 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 2qgs h GLN 203 N 0.00 1.18 -0.50 0.38 4.20 -1.62 -0.38 115.11 118.37 2qgs h GLN 203 Ca 0.00 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 2qgs h GLN 203 Cb 0.00 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 2qgs h GLN 203 CO 0.00 0.78 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.99 2qgs h TYR 204 N 1.21 1.00 -0.25 2.96 5.03 -1.13 -1.68 116.97 124.11 2qgs h TYR 204 Ca 0.37 -0.19 -0.00 0.00 2.58 0.00 0.00 58.73 61.49 2qgs h TYR 204 Cb -0.02 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 37.99 2qgs h TYR 204 CO -0.01 0.94 0.14 1.25 -1.32 0.00 0.00 178.16 179.17 2qgs h LEU 205 N 0.77 0.31 -0.90 2.82 6.46 -1.68 0.21 115.31 123.32 2qgs h LEU 205 Ca 0.14 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 2qgs h LEU 205 Cb 0.57 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 2qgs h LEU 205 CO 0.03 0.30 0.39 0.50 -0.62 0.00 0.00 178.44 179.04 2qgs h LYS 206 N 0.30 1.19 -0.45 1.25 3.64 -1.00 -2.22 116.57 119.28 2qgs h LYS 206 Ca 0.09 -0.17 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 2qgs h LYS 206 Cb 0.05 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2qgs h LYS 206 CO -0.01 0.91 -0.23 0.37 -2.27 0.00 0.00 179.45 178.22 2qgs h GLN 207 N 1.18 0.96 0.00 1.90 5.75 -0.93 -1.28 115.11 122.68 2qgs h GLN 207 Ca 0.28 -0.42 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 2qgs h GLN 207 Cb 0.12 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.65 2qgs h GLN 207 CO -0.04 1.09 0.00 0.34 -2.65 0.00 0.00 178.83 177.57 2qgs n PHE 208 N -4.14 0.00 0.00 3.99 7.35 0.72 -2.27 117.46 123.11 2qgs n PHE 208 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2qgs n PHE 208 Cb 0.46 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.29 2qgs n PHE 208 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2qgs n SER 210 N 0.39 0.00 0.09 -2.13 3.41 -0.48 -0.78 113.62 114.12 2qgs n SER 210 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 2qgs n SER 210 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 2qgs n SER 210 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2qgs h GLU 211 N 0.00 0.43 -0.94 4.33 5.08 -1.73 -2.05 114.58 119.71 2qgs h GLU 211 Ca 0.00 -0.73 0.03 0.00 -1.00 0.00 0.00 59.36 57.65 2qgs h GLU 211 Cb 0.00 0.27 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2qgs h GLU 211 CO 0.00 1.35 0.61 2.35 -1.00 0.00 0.00 179.01 182.33 2qgs h TRP 212 N 0.00 1.16 -0.56 4.33 2.91 -1.23 -2.43 115.95 120.13 2qgs h TRP 212 Ca -0.27 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.78 2qgs h TRP 212 Cb 2.02 -0.39 0.00 0.00 -0.51 0.00 0.00 29.16 30.28 2qgs h TRP 212 CO 0.13 0.69 0.00 0.09 -1.03 0.00 0.00 178.44 178.32 2qgs n ASN 213 N -4.47 4.69 -4.68 2.65 5.03 -1.25 -4.95 115.26 112.28 2qgs n ASN 213 Ca 0.12 -2.58 -0.48 0.00 0.87 0.00 0.00 54.58 52.51 2qgs n ASN 213 Cb 0.06 -0.57 -0.05 0.00 -1.02 0.00 0.00 39.78 38.21 2qgs n ASN 213 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2qgs n PHE 214 N 0.76 2.33 -2.31 3.10 -0.00 -0.77 -1.47 117.46 119.10 2qgs n PHE 214 Ca 0.24 0.02 -0.14 0.00 -0.00 0.00 0.00 57.45 57.58 2qgs n PHE 214 Cb 0.91 -2.65 -0.01 0.00 -0.00 0.00 0.00 39.48 37.73 2qgs n PHE 214 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2qgs n ASN 215 N 6.22 -4.23 -4.60 -2.13 5.15 -1.26 -4.94 115.26 109.47 2qgs n ASN 215 Ca 0.22 0.18 -0.36 0.00 -0.60 0.00 0.00 54.58 54.02 2qgs n ASN 215 Cb 0.30 -3.61 -0.10 0.00 -0.53 0.00 0.00 39.78 35.83 2qgs n ASN 215 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2qgs s LYS 216 N -4.81 3.93 0.00 1.20 2.20 -0.54 -5.27 119.74 116.45 2qgs s LYS 216 Ca 0.00 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 2qgs s LYS 216 Cb 0.00 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2qgs s LYS 216 CO 0.00 0.07 0.00 -1.91 -0.36 0.00 0.00 175.35 173.15