#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgx n LEU 3 N 0.00 -2.80 0.00 0.00 4.77 -1.26 -4.94 117.00 112.76 1qgx n LEU 3 Ca 0.00 -0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 55.54 1qgx n LEU 3 Cb 0.00 -2.38 -0.06 0.00 -2.33 0.00 0.00 43.42 38.65 1qgx n LEU 3 CO 0.00 0.37 0.88 -0.33 -1.33 0.00 0.00 177.39 176.98 1qgx h GLU 4 N -1.65 0.11 -0.45 3.23 3.07 -2.05 -1.15 114.58 115.69 1qgx h GLU 4 Ca -0.41 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.35 1qgx h GLU 4 Cb 1.28 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1qgx h GLU 4 CO 0.42 0.13 -0.06 -0.09 -1.40 0.00 0.00 179.01 178.01 1qgx h ARG 5 N 0.06 0.83 -0.70 2.33 2.43 -2.00 -2.46 114.38 114.87 1qgx h ARG 5 Ca 0.03 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 1qgx h ARG 5 Cb 0.05 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1qgx h ARG 5 CO -0.01 0.92 0.36 0.93 -1.51 0.00 0.00 179.97 180.66 1qgx h GLU 6 N 0.67 0.98 -0.50 0.20 3.07 -1.93 -1.01 114.58 116.06 1qgx h GLU 6 Ca 0.12 -0.12 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 1qgx h GLU 6 Cb 0.58 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1qgx h GLU 6 CO 0.03 0.73 -0.03 1.25 -1.40 0.00 0.00 179.01 179.60 1qgx h LEU 7 N 0.98 0.89 -0.62 1.33 5.85 -1.01 0.59 115.31 123.32 1qgx h LEU 7 Ca 0.25 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1qgx h LEU 7 Cb 0.06 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1qgx h LEU 7 CO -0.04 1.00 0.18 0.25 -0.34 0.00 0.00 178.44 179.49 1qgx h LEU 8 N 0.76 0.91 -0.29 2.25 5.85 -1.12 -1.18 115.31 122.49 1qgx h LEU 8 Ca 0.14 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1qgx h LEU 8 Cb 0.56 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1qgx h LEU 8 CO 0.03 0.88 0.12 0.58 -0.34 0.00 0.00 178.44 179.72 1qgx h VAL 9 N 0.89 1.17 -0.17 1.05 2.07 -1.06 -0.23 116.25 119.96 1qgx h VAL 9 Ca 0.20 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1qgx h VAL 9 Cb 0.31 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1qgx h VAL 9 CO -0.00 0.18 0.09 0.00 0.02 0.00 0.00 177.57 177.85 1qgx h ALA 10 N 0.97 0.22 -0.01 1.67 0.00 -0.69 -0.37 119.26 121.05 1qgx h ALA 10 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1qgx h ALA 10 Cb 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1qgx h ALA 10 CO -0.01 -0.23 -0.07 1.15 0.00 0.00 0.00 179.25 180.09 1qgx h THR 11 N 0.16 0.82 -0.29 0.00 2.02 -1.01 -0.64 112.91 113.97 1qgx h THR 11 Ca 0.06 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.11 1qgx h THR 11 Cb 0.10 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1qgx h THR 11 CO -0.01 0.00 -0.37 1.56 0.37 0.00 0.00 175.52 177.07 1qgx h GLN 12 N -0.11 0.66 -0.27 6.66 1.08 -0.84 -0.64 115.11 121.66 1qgx h GLN 12 Ca 0.03 -0.32 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 1qgx h GLN 12 Cb 0.15 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1qgx h GLN 12 CO -0.08 0.92 0.14 0.00 -0.95 0.00 0.00 178.83 178.87 1qgx h ALA 13 N 1.04 0.34 -0.45 3.87 0.00 -1.00 -1.02 119.26 122.05 1qgx h ALA 13 Ca 0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1qgx h ALA 13 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1qgx h ALA 13 CO 0.08 -0.13 -0.04 0.28 0.00 0.00 0.00 179.25 179.44 1qgx h VAL 14 N 0.31 1.25 -0.13 0.00 2.07 -0.99 -1.63 116.25 117.12 1qgx h VAL 14 Ca 0.09 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.57 1qgx h VAL 14 Cb 0.07 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1qgx h VAL 14 CO -0.01 0.36 0.07 -0.09 0.02 0.00 0.00 177.57 177.92 1qgx h ARG 15 N 0.71 0.15 -0.53 1.57 2.43 -0.71 0.28 114.38 118.28 1qgx h ARG 15 Ca 0.13 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1qgx h ARG 15 Cb 0.49 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1qgx h ARG 15 CO 0.03 0.10 -0.10 -0.22 -1.51 0.00 0.00 179.97 178.27 1qgx h LYS 16 N 0.15 0.98 0.00 0.20 3.64 -1.07 -2.25 116.57 118.23 1qgx h LYS 16 Ca 0.05 -0.35 -0.10 0.00 -1.27 0.00 0.00 60.65 58.98 1qgx h LYS 16 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1qgx h LYS 16 CO -0.03 1.03 -0.46 0.00 -2.27 0.00 0.00 179.45 177.71 1qgx h ALA 17 N 1.00 1.16 -0.49 5.00 0.00 -1.01 -2.61 119.26 122.31 1qgx h ALA 17 Ca 0.14 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1qgx h ALA 17 Cb 0.65 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1qgx h ALA 17 CO 0.04 0.58 -0.03 0.77 0.00 0.00 0.00 179.25 180.62 1qgx h SER 18 N 0.00 0.81 -0.16 0.00 0.02 0.11 -0.91 113.55 113.42 1qgx h SER 18 Ca -0.00 -0.21 -0.17 0.00 -0.84 0.00 0.00 61.79 60.56 1qgx h SER 18 Cb 0.86 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1qgx h SER 18 CO 0.06 0.89 -0.54 0.25 -1.14 0.00 0.00 176.83 176.35 1qgx h LEU 19 N 0.77 0.83 -0.06 5.07 6.46 -1.12 -1.77 115.31 125.49 1qgx h LEU 19 Ca 0.14 -0.44 -0.01 0.00 -0.12 0.00 0.00 57.88 57.46 1qgx h LEU 19 Cb 0.50 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1qgx h LEU 19 CO 0.03 1.20 0.02 0.25 -0.62 0.00 0.00 178.44 179.31 1qgx h LEU 20 N 0.57 0.10 -0.87 2.25 6.46 -1.33 0.08 115.31 122.57 1qgx h LEU 20 Ca 0.01 -0.22 -0.11 0.00 -0.12 0.00 0.00 57.88 57.45 1qgx h LEU 20 Cb 1.12 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.01 1qgx h LEU 20 CO 0.11 0.29 -0.30 0.71 -0.62 0.00 0.00 178.44 178.64 1qgx h THR 21 N -0.11 1.28 -0.35 1.05 1.35 -1.17 -0.35 112.91 114.61 1qgx h THR 21 Ca 0.02 -1.36 -0.01 0.00 -0.55 0.00 0.00 66.41 64.51 1qgx h THR 21 Cb 0.23 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.06 1qgx h THR 21 CO -0.00 0.43 0.19 0.50 -0.25 0.00 0.00 175.52 176.39 1qgx h LYS 22 N 0.42 0.48 -0.46 4.72 1.63 -1.10 -1.67 116.57 120.59 1qgx h LYS 22 Ca 0.06 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1qgx h LYS 22 Cb 0.74 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 1qgx h LYS 22 CO 0.06 0.40 0.21 0.00 -3.45 0.00 0.00 179.45 176.67 1qgx h ARG 23 N 0.43 0.67 -0.50 1.90 3.08 -0.60 -3.04 114.38 116.33 1qgx h ARG 23 Ca 0.12 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 1qgx h ARG 23 Cb 0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1qgx h ARG 23 CO -0.02 0.59 -0.08 0.82 -1.07 0.00 0.00 179.97 180.20 1qgx h ILE 24 N 0.60 1.26 -0.34 2.04 2.04 -0.97 -3.40 117.51 118.74 1qgx h ILE 24 Ca 0.16 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 64.86 1qgx h ILE 24 Cb 0.14 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1qgx h ILE 24 CO -0.02 0.42 -0.20 1.67 0.00 0.00 0.00 178.15 180.02 1qgx n GLN 25 N -4.16 -0.15 0.24 2.37 7.27 -0.64 0.07 117.38 122.38 1qgx n GLN 25 Ca 0.02 0.65 0.12 0.00 0.07 0.00 0.00 57.00 57.85 1qgx n GLN 25 Cb 0.37 -0.95 0.51 0.00 2.41 0.00 0.00 30.24 32.57 1qgx n GLN 25 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1qgx h SER 26 N 0.00 0.00 0.29 1.69 4.64 -1.82 -1.98 113.55 116.37 1qgx h SER 26 Ca 0.05 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.17 1qgx h SER 26 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1qgx h SER 26 CO -0.32 0.15 -0.81 -0.33 -0.87 0.00 0.00 176.83 174.65 1qgx h GLU 27 N 0.00 0.41 -0.12 4.77 3.07 -0.62 -1.34 114.58 120.76 1qgx h GLU 27 Ca -0.00 -0.37 -0.18 0.00 -0.50 0.00 0.00 59.36 58.30 1qgx h GLU 27 Cb 0.70 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1qgx h GLU 27 CO 0.02 1.03 -0.68 0.28 -1.40 0.00 0.00 179.01 178.26 1qgx h VAL 28 N 0.26 1.35 0.19 3.13 2.07 -1.22 -2.10 116.25 119.93 1qgx h VAL 28 Ca -0.05 -2.01 -0.01 0.00 0.82 0.00 0.00 66.70 65.45 1qgx h VAL 28 Cb 1.41 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1qgx h VAL 28 CO 0.14 0.61 -0.09 0.40 0.02 0.00 0.00 177.57 178.65 1qgx h ILE 29 N 0.36 0.92 -0.67 4.57 2.04 -1.29 -2.28 117.51 121.15 1qgx h ILE 29 Ca -0.02 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1qgx h ILE 29 Cb 1.25 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 1qgx h ILE 29 CO 0.12 0.17 0.42 0.77 0.00 0.00 0.00 178.15 179.63 1qgx h SER 30 N -0.64 0.69 -1.23 1.72 4.64 -1.31 -2.82 113.55 114.61 1qgx h SER 30 Ca -0.03 -0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.64 1qgx h SER 30 Cb 0.47 -0.15 -0.26 0.00 -0.31 0.00 0.00 62.40 62.15 1qgx h SER 30 CO 0.04 0.48 0.84 1.41 -0.87 0.00 0.00 176.83 178.74 1qgx n HIS 31 N -4.68 2.85 0.89 4.77 8.25 -0.79 -4.77 115.22 121.75 1qgx n HIS 31 Ca 0.07 -2.63 0.00 0.00 -0.26 0.00 0.00 57.72 54.90 1qgx n HIS 31 Cb 0.08 -1.32 0.00 0.00 1.12 0.00 0.00 29.99 29.87 1qgx n HIS 31 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1qgx n LYS 32 N -0.53 0.89 -0.00 -0.41 2.85 -0.86 -2.81 118.16 117.29 1qgx n LYS 32 Ca 0.56 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.82 1qgx n LYS 32 Cb 0.52 -1.12 -0.01 0.00 -0.65 0.00 0.00 35.03 33.77 1qgx n LYS 32 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1qgx n ASP 33 N 0.47 2.83 0.00 -5.58 9.92 -1.26 -4.57 116.55 118.35 1qgx n ASP 33 Ca 0.00 -0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.05 1qgx n ASP 33 Cb 0.41 1.04 0.00 0.00 -0.64 0.00 0.00 41.12 41.93 1qgx n ASP 33 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1qgx n SER 34 N -1.34 1.03 -0.38 -2.24 3.41 -1.12 -4.80 113.62 108.17 1qgx n SER 34 Ca -0.00 -0.16 0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1qgx n SER 34 Cb 0.03 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1qgx n SER 34 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qgx n THR 35 N -0.62 0.00 -4.04 6.66 -2.24 -1.21 -4.96 114.28 107.87 1qgx n THR 35 Ca 0.00 -0.35 -0.33 0.00 -2.27 0.00 0.00 64.05 61.09 1qgx n THR 35 Cb 0.00 1.20 -0.15 0.00 -2.10 0.00 0.00 70.33 69.28 1qgx n THR 35 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qgx s THR 36 N -1.81 2.44 0.10 4.28 2.01 -1.26 -1.71 115.64 119.68 1qgx s THR 36 Ca 0.14 -1.13 0.03 0.00 0.31 0.00 0.00 61.69 61.03 1qgx s THR 36 Cb 0.13 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1qgx s THR 36 CO 0.38 0.26 0.10 -0.63 -0.69 0.00 0.00 174.62 174.04 1qgx s ILE 37 N 1.26 4.57 -0.18 1.82 1.01 0.15 -4.90 121.20 124.92 1qgx s ILE 37 Ca -0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 1qgx s ILE 37 Cb -0.16 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 1qgx s ILE 37 CO -0.07 0.07 0.10 -0.89 0.00 0.00 0.00 174.94 174.15 1qgx s THR 38 N -1.48 5.15 0.79 2.92 2.01 -1.26 -0.63 115.64 123.14 1qgx s THR 38 Ca 0.30 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.35 1qgx s THR 38 Cb -0.12 -3.33 0.17 0.00 0.01 0.00 0.00 72.50 69.23 1qgx s THR 38 CO 0.23 0.46 1.09 0.29 -0.69 0.00 0.00 174.62 176.00 1qgx n LYS 39 N 3.38 -0.43 0.30 4.92 5.02 0.70 -4.90 118.16 127.15 1qgx n LYS 39 Ca -0.17 -2.53 0.16 0.00 -2.02 0.00 0.00 58.31 53.75 1qgx n LYS 39 Cb 0.52 -0.85 0.94 0.00 -0.02 0.00 0.00 35.03 35.62 1qgx n LYS 39 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1qgx h ASN 40 N -0.91 0.00 -0.59 4.39 -1.07 -2.00 0.48 115.58 115.89 1qgx h ASN 40 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.01 1qgx h ASN 40 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1qgx h ASN 40 CO 0.34 0.00 0.00 -0.90 0.07 0.00 0.00 177.43 176.94 1qgx n ASP 41 N -3.79 5.44 0.00 6.14 5.75 -1.26 -4.93 116.55 123.90 1qgx n ASP 41 Ca -0.03 -2.79 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 1qgx n ASP 41 Cb 0.08 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 1qgx n ASP 41 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1qgx n ASN 42 N 0.76 -4.44 -4.83 -1.12 3.02 0.16 -5.00 115.26 103.80 1qgx n ASN 42 Ca 0.27 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.49 1qgx n ASN 42 Cb 1.11 -2.26 -0.06 0.00 -0.61 0.00 0.00 39.78 37.96 1qgx n ASN 42 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1qgx s SER 43 N -2.03 6.83 0.37 6.41 1.04 -1.26 -4.64 113.70 120.43 1qgx s SER 43 Ca 0.00 1.58 -0.20 0.00 0.48 0.00 0.00 55.95 57.81 1qgx s SER 43 Cb 0.00 -2.50 -0.10 0.00 0.10 0.00 0.00 66.02 63.52 1qgx s SER 43 CO 0.00 -0.38 0.88 -2.16 0.98 0.00 0.00 173.24 172.56 1qgx s PRO 44 N -3.36 4.23 -0.03 4.02 0.04 -1.26 -0.21 135.00 138.43 1qgx s PRO 44 Ca 0.60 1.02 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 1qgx s PRO 44 Cb -0.09 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 32.08 1qgx s PRO 44 CO 0.18 0.09 0.07 0.54 0.04 0.00 0.00 177.00 177.92 1qgx s VAL 45 N -2.00 -0.03 0.38 -0.36 0.11 0.20 -4.89 120.40 113.80 1qgx s VAL 45 Ca 0.57 0.11 0.04 0.00 -2.93 0.00 0.00 61.98 59.77 1qgx s VAL 45 Cb -0.11 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.56 1qgx s VAL 45 CO 0.16 0.05 0.06 0.42 -3.33 0.00 0.00 175.10 172.46 1qgx s THR 46 N 0.65 1.17 0.31 5.04 -4.23 -1.26 0.29 115.64 117.61 1qgx s THR 46 Ca -0.05 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1qgx s THR 46 Cb -0.07 -2.65 0.29 0.00 1.34 0.00 0.00 72.50 71.41 1qgx s THR 46 CO -0.02 0.00 1.88 0.74 -0.54 0.00 0.00 174.62 176.68 1qgx h THR 47 N 1.90 0.98 -0.32 3.99 2.02 -1.73 -1.85 112.91 117.90 1qgx h THR 47 Ca -0.40 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 66.51 1qgx h THR 47 Cb 1.26 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1qgx h THR 47 CO 0.69 0.17 0.01 1.23 0.37 0.00 0.00 175.52 177.99 1qgx h GLY 48 N 0.94 0.32 0.79 2.16 0.00 -1.96 0.51 103.07 105.82 1qgx h GLY 48 Ca 0.43 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.82 1qgx h GLY 48 CO -0.19 -0.07 0.06 -0.55 0.00 0.00 0.00 176.54 175.80 1qgx h ASP 49 N 0.10 0.06 -0.42 0.19 5.19 -1.71 -0.92 116.42 118.91 1qgx h ASP 49 Ca 0.15 0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 56.45 1qgx h ASP 49 Cb 0.20 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1qgx h ASP 49 CO -0.25 0.06 -0.28 1.88 -3.12 0.00 0.00 179.24 177.53 1qgx h TYR 50 N 0.16 1.10 -0.54 4.55 0.05 -1.31 -1.78 116.97 119.20 1qgx h TYR 50 Ca 0.10 -0.29 -0.04 0.00 0.05 0.00 0.00 58.73 58.56 1qgx h TYR 50 Cb 0.08 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 1qgx h TYR 50 CO -0.13 1.10 0.19 0.00 -1.05 0.00 0.00 178.16 178.27 1qgx h ALA 51 N 0.87 0.70 -0.63 3.88 0.00 -0.76 0.05 119.26 123.38 1qgx h ALA 51 Ca 0.09 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1qgx h ALA 51 Cb 0.85 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1qgx h ALA 51 CO 0.08 0.33 0.08 0.00 0.00 0.00 0.00 179.25 179.74 1qgx h ALA 52 N 1.05 0.96 -0.58 0.00 0.00 -1.09 -0.42 119.26 119.18 1qgx h ALA 52 Ca 0.18 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1qgx h ALA 52 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1qgx h ALA 52 CO -0.01 0.65 0.09 0.37 0.00 0.00 0.00 179.25 180.34 1qgx h GLN 53 N 0.97 0.96 0.06 0.00 4.15 -0.91 -1.76 115.11 118.57 1qgx h GLN 53 Ca 0.19 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1qgx h GLN 53 Cb 0.44 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1qgx h GLN 53 CO 0.01 0.91 -0.03 1.15 -1.93 0.00 0.00 178.83 178.95 1qgx h THR 54 N 0.85 1.05 -0.24 2.39 2.02 -0.58 -1.19 112.91 117.21 1qgx h THR 54 Ca 0.17 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 67.07 1qgx h THR 54 Cb 0.42 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 1qgx h THR 54 CO 0.01 0.08 -0.09 0.40 0.37 0.00 0.00 175.52 176.30 1qgx h ILE 55 N -0.22 0.69 -0.27 3.11 2.04 -1.00 -0.33 117.51 121.54 1qgx h ILE 55 Ca -0.01 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.70 1qgx h ILE 55 Cb 0.19 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1qgx h ILE 55 CO 0.01 0.00 -0.42 0.40 0.00 0.00 0.00 178.15 178.14 1qgx h ILE 56 N -0.04 1.30 -0.29 -0.67 2.04 -1.23 -1.66 117.51 116.95 1qgx h ILE 56 Ca 0.12 -1.61 -0.12 0.00 1.00 0.00 0.00 64.86 64.26 1qgx h ILE 56 Cb 0.23 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1qgx h ILE 56 CO -0.28 0.52 -0.30 0.40 0.00 0.00 0.00 178.15 178.49 1qgx h ILE 57 N 0.50 1.28 -0.20 -0.67 2.04 -1.21 -0.69 117.51 118.55 1qgx h ILE 57 Ca 0.02 -1.40 -0.09 0.00 1.00 0.00 0.00 64.86 64.39 1qgx h ILE 57 Cb 1.02 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1qgx h ILE 57 CO 0.10 0.45 -0.27 -1.13 0.00 0.00 0.00 178.15 177.30 1qgx h ASN 58 N 0.52 0.38 -0.31 1.72 -1.24 -0.97 0.26 115.58 115.95 1qgx h ASN 58 Ca 0.06 -0.13 -0.13 0.00 0.71 0.00 0.00 56.30 56.81 1qgx h ASN 58 Cb 0.77 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.72 1qgx h ASN 58 CO 0.06 0.65 -0.33 0.00 -1.29 0.00 0.00 177.43 176.52 1qgx h ALA 59 N 1.38 0.45 -0.12 1.57 0.00 -0.84 -1.11 119.26 120.59 1qgx h ALA 59 Ca 0.05 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.56 1qgx h ALA 59 Cb 0.65 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1qgx h ALA 59 CO 0.05 0.50 -0.03 0.82 0.00 0.00 0.00 179.25 180.59 1qgx h ILE 60 N 0.52 0.87 -0.16 0.00 2.04 -0.69 -2.39 117.51 117.71 1qgx h ILE 60 Ca 0.05 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.80 1qgx h ILE 60 Cb 0.91 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1qgx h ILE 60 CO 0.08 0.00 -0.38 0.11 0.00 0.00 0.00 178.15 177.96 1qgx h LYS 61 N -0.01 0.34 -0.11 2.37 1.79 -0.94 0.52 116.57 120.53 1qgx h LYS 61 Ca 0.06 -0.16 -0.10 0.00 -2.18 0.00 0.00 60.65 58.27 1qgx h LYS 61 Cb 0.10 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1qgx h LYS 61 CO -0.13 0.67 -0.37 0.77 -1.08 0.00 0.00 179.45 179.31 1qgx h SER 62 N 0.29 0.23 0.51 0.86 0.02 -1.04 -2.57 113.55 111.86 1qgx h SER 62 Ca 0.03 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 1qgx h SER 62 Cb 0.80 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1qgx h SER 62 CO 0.06 0.59 -1.61 0.59 -1.14 0.00 0.00 176.83 175.33 1qgx n ASN 63 N -4.06 0.57 -3.26 3.07 3.02 -0.90 -4.72 115.26 108.98 1qgx n ASN 63 Ca -0.01 0.24 -0.22 0.00 -0.03 0.00 0.00 54.58 54.56 1qgx n ASN 63 Cb 0.45 0.68 -0.08 0.00 -0.61 0.00 0.00 39.78 40.22 1qgx n ASN 63 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1qgx s PHE 64 N -3.04 0.45 0.59 3.10 0.08 0.18 -5.05 117.98 114.29 1qgx s PHE 64 Ca -0.05 -1.88 0.29 0.00 0.12 0.00 0.00 56.93 55.41 1qgx s PHE 64 Cb 0.09 -0.63 1.71 0.00 -0.57 0.00 0.00 43.02 43.62 1qgx s PHE 64 CO 0.83 -0.93 2.15 -1.35 -0.10 0.00 0.00 175.22 175.82 1qgx h PRO 65 N 5.59 0.00 -0.02 0.24 0.11 -1.66 -1.96 132.00 134.30 1qgx h PRO 65 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1qgx h PRO 65 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1qgx h PRO 65 CO 0.28 0.00 -0.33 -0.25 -0.21 0.00 0.00 178.00 177.50 1qgx n ASP 66 N -3.82 2.19 -4.76 -2.05 8.00 -1.26 -4.95 116.55 109.90 1qgx n ASP 66 Ca 0.00 -1.59 -0.38 0.00 0.71 0.00 0.00 54.79 53.53 1qgx n ASP 66 Cb 0.25 0.35 0.02 0.00 -0.02 0.00 0.00 41.12 41.71 1qgx n ASP 66 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1qgx s ASP 67 N -2.21 5.66 0.02 -2.24 1.11 -0.74 -5.01 116.67 113.26 1qgx s ASP 67 Ca 0.20 2.56 -0.15 0.00 0.18 0.00 0.00 52.55 55.34 1qgx s ASP 67 Cb 0.17 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.48 1qgx s ASP 67 CO 0.46 -1.29 0.42 -0.54 1.18 0.00 0.00 175.17 175.41 1qgx s LYS 68 N -2.82 3.93 -0.04 8.23 1.02 -1.26 -4.99 119.74 123.80 1qgx s LYS 68 Ca 0.68 0.42 0.00 0.00 0.02 0.00 0.00 55.97 57.09 1qgx s LYS 68 Cb -0.35 -3.20 0.03 0.00 -0.52 0.00 0.00 37.83 33.79 1qgx s LYS 68 CO 0.42 0.67 -0.01 0.08 -0.92 0.00 0.00 175.35 175.59 1qgx s VAL 69 N -1.12 0.31 -0.46 3.17 1.01 -1.25 -0.61 120.40 121.45 1qgx s VAL 69 Ca 0.25 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 1qgx s VAL 69 Cb -0.17 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 35.86 1qgx s VAL 69 CO 0.14 0.19 0.48 -0.69 0.00 0.00 0.00 175.10 175.22 1qgx s VAL 70 N 1.18 5.07 0.13 2.92 1.01 0.70 -1.93 120.40 129.49 1qgx s VAL 70 Ca -0.07 -0.63 0.11 0.00 0.00 0.00 0.00 61.98 61.39 1qgx s VAL 70 Cb -0.14 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1qgx s VAL 70 CO -0.02 -0.59 -0.26 -0.83 0.00 0.00 0.00 175.10 173.40 1qgx s GLY 71 N 2.33 1.60 0.21 4.51 0.00 0.86 -0.36 107.32 116.47 1qgx s GLY 71 Ca 0.10 -1.46 -0.09 0.00 0.00 0.00 0.00 44.72 43.28 1qgx s GLY 71 CO 0.11 -1.44 1.79 -2.09 0.00 0.00 0.00 173.10 171.47 1qgx h GLU 72 N 3.85 1.13 -6.49 2.90 4.81 -1.67 -3.44 114.58 115.67 1qgx h GLU 72 Ca -0.51 -0.18 -0.46 0.00 -0.13 0.00 0.00 59.36 58.09 1qgx h GLU 72 Cb 1.17 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 30.36 1qgx h GLU 72 CO 0.40 0.89 -0.23 -1.21 -0.73 0.00 0.00 179.01 178.13 1qgx s GLU 73 N -5.67 3.24 0.02 1.92 0.41 -1.26 -5.12 118.70 112.25 1qgx s GLU 73 Ca -0.13 -0.61 0.03 0.00 -0.41 0.00 0.00 54.97 53.85 1qgx s GLU 73 Cb 0.15 -2.70 -0.02 0.00 -1.78 0.00 0.00 34.13 29.79 1qgx s GLU 73 CO 0.82 0.02 -0.10 0.45 -0.49 0.00 0.00 175.26 175.97 1qgx s SER 74 N -4.12 1.14 0.00 -0.19 0.15 -1.26 -4.79 113.70 104.63 1qgx s SER 74 Ca 0.43 -0.37 0.28 0.00 0.70 0.00 0.00 55.95 56.99 1qgx s SER 74 Cb -0.10 -0.06 1.03 0.00 -1.71 0.00 0.00 66.02 65.18 1qgx s SER 74 CO 0.34 -0.01 1.74 -1.54 1.20 0.00 0.00 173.24 174.97 1qgx n SER 75 N 2.13 0.59 -4.61 5.45 3.41 -1.26 -4.93 113.62 114.40 1qgx n SER 75 Ca -0.18 -0.55 -0.53 0.00 -0.26 0.00 0.00 58.87 57.35 1qgx n SER 75 Cb 0.56 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 1qgx n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qgx n SER 76 N -0.96 1.83 0.00 4.04 7.64 -1.26 -1.57 113.62 123.34 1qgx n SER 76 Ca 0.12 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1qgx n SER 76 Cb 0.31 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1qgx n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qgx n GLY 77 N 2.83 2.85 3.75 0.23 0.00 -1.26 -5.01 105.19 108.58 1qgx n GLY 77 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1qgx n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qgx s LEU 78 N 0.00 4.36 0.85 0.99 1.43 -0.61 -4.98 118.68 120.73 1qgx s LEU 78 Ca 0.00 2.83 -0.12 0.00 -1.03 0.00 0.00 54.13 55.81 1qgx s LEU 78 Cb 0.00 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.69 1qgx s LEU 78 CO 0.00 -0.84 1.12 -0.94 0.23 0.00 0.00 176.35 175.92 1qgx s SER 79 N 0.51 4.05 0.22 2.29 1.04 -1.26 -4.87 113.70 115.68 1qgx s SER 79 Ca 0.63 1.12 -0.08 0.00 0.48 0.00 0.00 55.95 58.10 1qgx s SER 79 Cb -0.46 -1.78 0.19 0.00 0.10 0.00 0.00 66.02 64.07 1qgx s SER 79 CO 0.45 -2.23 1.85 0.44 0.98 0.00 0.00 173.24 174.72 1qgx h ASP 80 N -1.27 1.05 -0.67 7.02 3.32 -1.98 -0.93 116.42 122.95 1qgx h ASP 80 Ca -0.49 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 56.54 1qgx h ASP 80 Cb 1.30 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 1qgx h ASP 80 CO 0.61 0.84 0.36 0.00 -1.72 0.00 0.00 179.24 179.32 1qgx h ALA 81 N 1.25 0.90 -0.24 3.45 0.00 -1.99 0.52 119.26 123.16 1qgx h ALA 81 Ca 0.30 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1qgx h ALA 81 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1qgx h ALA 81 CO -0.05 0.01 -0.00 0.35 0.00 0.00 0.00 179.25 179.56 1qgx h PHE 82 N 0.65 0.47 -0.19 0.00 3.57 -1.78 -2.65 116.94 117.01 1qgx h PHE 82 Ca 0.31 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 1qgx h PHE 82 Cb 0.24 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1qgx h PHE 82 CO -0.09 0.60 -0.24 0.28 -2.23 0.00 0.00 178.31 176.63 1qgx h VAL 83 N 0.21 1.25 -0.28 1.41 2.07 -0.94 -1.42 116.25 118.54 1qgx h VAL 83 Ca 0.07 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1qgx h VAL 83 Cb 0.41 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1qgx h VAL 83 CO 0.01 0.36 0.11 0.28 0.02 0.00 0.00 177.57 178.36 1qgx h SER 84 N 0.32 0.34 -0.15 0.57 0.02 0.15 -0.14 113.55 114.67 1qgx h SER 84 Ca 0.05 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 1qgx h SER 84 Cb 0.60 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1qgx h SER 84 CO 0.04 0.32 -0.50 1.23 -1.14 0.00 0.00 176.83 176.78 1qgx h GLY 85 N 0.53 0.79 0.94 -3.77 0.00 -0.94 -0.65 103.07 99.97 1qgx h GLY 85 Ca 0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 1qgx h GLY 85 CO -0.01 0.79 0.07 -2.22 0.00 0.00 0.00 176.54 175.17 1qgx h ILE 86 N 0.57 1.09 -0.67 2.60 2.04 -0.36 -1.41 117.51 121.36 1qgx h ILE 86 Ca 0.02 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1qgx h ILE 86 Cb 1.06 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 1qgx h ILE 86 CO 0.10 0.08 0.44 0.25 0.00 0.00 0.00 178.15 179.03 1qgx h LEU 87 N 0.11 0.76 -0.70 1.44 5.85 -0.90 -1.74 115.31 120.13 1qgx h LEU 87 Ca 0.05 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1qgx h LEU 87 Cb 0.07 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1qgx h LEU 87 CO -0.01 0.54 0.39 -1.13 -0.34 0.00 0.00 178.44 177.89 1qgx h ASN 88 N 0.89 0.88 -0.71 1.25 -1.24 -0.98 0.25 115.58 115.91 1qgx h ASN 88 Ca 0.25 -0.09 -0.04 0.00 0.71 0.00 0.00 56.30 57.13 1qgx h ASN 88 Cb -0.08 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.72 1qgx h ASN 88 CO -0.06 0.72 0.28 -0.33 -1.29 0.00 0.00 177.43 176.75 1qgx h GLU 89 N 0.97 1.07 -0.33 6.67 4.39 -0.97 0.84 114.58 127.21 1qgx h GLU 89 Ca 0.25 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.77 1qgx h GLU 89 Cb 0.04 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 1qgx h GLU 89 CO -0.04 0.88 0.17 0.82 -1.16 0.00 0.00 179.01 179.68 1qgx h ILE 90 N 1.02 1.00 -0.13 3.13 2.04 -0.78 -0.61 117.51 123.19 1qgx h ILE 90 Ca 0.24 -0.12 -0.12 0.00 1.00 0.00 0.00 64.86 65.86 1qgx h ILE 90 Cb 0.21 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1qgx h ILE 90 CO -0.02 0.06 -0.43 0.11 0.00 0.00 0.00 178.15 177.87 1qgx h LYS 91 N 0.35 0.29 -0.61 2.37 1.79 -0.58 0.11 116.57 120.30 1qgx h LYS 91 Ca 0.13 -0.15 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1qgx h LYS 91 Cb 0.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1qgx h LYS 91 CO -0.08 0.68 0.07 0.00 -1.08 0.00 0.00 179.45 179.03 1qgx h ALA 92 N 1.30 0.97 -0.28 3.86 0.00 -0.72 -2.18 119.26 122.21 1qgx h ALA 92 Ca 0.02 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1qgx h ALA 92 Cb 0.87 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1qgx h ALA 92 CO 0.07 0.64 -0.35 -0.97 0.00 0.00 0.00 179.25 178.64 1qgx h ASN 93 N 0.94 0.66 -0.92 0.00 -1.24 -0.68 -2.95 115.58 111.40 1qgx h ASN 93 Ca 0.18 -0.28 0.03 0.00 0.71 0.00 0.00 56.30 56.95 1qgx h ASN 93 Cb 0.45 -0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.26 1qgx h ASN 93 CO 0.02 0.96 0.60 0.44 -1.29 0.00 0.00 177.43 178.15 1qgx h ASP 94 N 0.53 1.00 0.14 1.15 3.32 -0.58 0.21 116.42 122.19 1qgx h ASP 94 Ca 0.05 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1qgx h ASP 94 Cb 0.86 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1qgx h ASP 94 CO 0.07 0.69 -0.30 -0.08 -1.72 0.00 0.00 179.24 177.90 1qgx h GLU 95 N 1.16 0.25 0.19 3.56 4.22 -1.24 0.14 114.58 122.86 1qgx h GLU 95 Ca 0.36 -0.09 -0.30 0.00 0.08 0.00 0.00 59.36 59.41 1qgx h GLU 95 Cb -0.00 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.25 1qgx h GLU 95 CO -0.11 0.53 -1.40 0.28 -2.18 0.00 0.00 179.01 176.13 1qgx h VAL 96 N 0.22 1.20 -0.27 0.32 2.07 -1.25 -3.34 116.25 115.21 1qgx h VAL 96 Ca 0.03 -2.57 -0.11 0.00 0.82 0.00 0.00 66.70 64.87 1qgx h VAL 96 Cb 0.65 2.96 -0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1qgx h VAL 96 CO 0.05 0.79 -0.26 0.22 0.02 0.00 0.00 177.57 178.38 1qgx h TYR 97 N -0.04 0.77 0.00 1.57 3.20 -0.33 -2.94 116.97 119.21 1qgx h TYR 97 Ca -0.26 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.37 1qgx h TYR 97 Cb 1.98 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 40.09 1qgx h TYR 97 CO 0.14 0.96 0.00 -0.91 -1.64 0.00 0.00 178.16 176.70 1qgx h ASN 98 N 0.37 0.00 -0.17 -2.11 4.21 -0.89 0.25 115.58 117.24 1qgx h ASN 98 Ca 0.04 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.37 1qgx h ASN 98 Cb 0.82 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.02 1qgx h ASN 98 CO 0.06 0.00 -0.58 0.11 -1.29 0.00 0.00 177.43 175.74 1qgx h LYS 99 N 0.00 0.77 0.00 0.81 1.57 -1.63 -3.38 116.57 114.70 1qgx h LYS 99 Ca 0.00 -0.50 -0.14 0.00 -1.87 0.00 0.00 60.65 58.13 1qgx h LYS 99 Cb 0.37 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1qgx h LYS 99 CO 0.00 1.13 -1.55 0.09 -0.57 0.00 0.00 179.45 178.55 1qgx n ASN 100 N -3.98 3.23 -0.22 0.86 3.02 -1.02 -4.88 115.26 112.27 1qgx n ASN 100 Ca -0.04 -0.04 0.06 0.00 -0.03 0.00 0.00 54.58 54.52 1qgx n ASN 100 Cb 0.64 0.01 0.11 0.00 -0.61 0.00 0.00 39.78 39.93 1qgx n ASN 100 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1qgx n TYR 101 N -2.69 0.18 -1.73 3.10 4.01 0.83 -5.05 117.16 115.81 1qgx n TYR 101 Ca -0.16 -0.76 -0.42 0.00 -0.16 0.00 0.00 57.90 56.39 1qgx n TYR 101 Cb 0.69 -0.13 -0.01 0.00 -0.31 0.00 0.00 39.34 39.59 1qgx n TYR 101 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1qgx n LYS 102 N -0.80 2.48 -3.56 -0.72 4.81 -1.21 -4.95 118.16 114.21 1qgx n LYS 102 Ca 0.11 0.88 -0.38 0.00 -0.87 0.00 0.00 58.31 58.05 1qgx n LYS 102 Cb 0.52 -2.60 -0.10 0.00 0.02 0.00 0.00 35.03 32.87 1qgx n LYS 102 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1qgx s LYS 103 N -1.00 3.98 0.34 1.64 2.47 -1.26 -5.05 119.74 120.86 1qgx s LYS 103 Ca 0.61 -0.24 -0.28 0.00 -1.56 0.00 0.00 55.97 54.50 1qgx s LYS 103 Cb -0.53 -3.65 -0.12 0.00 -1.46 0.00 0.00 37.83 32.07 1qgx s LYS 103 CO 0.54 -0.17 1.38 -3.47 0.16 0.00 0.00 175.35 173.78 1qgx n ASP 104 N 5.02 3.16 -1.71 1.43 2.03 -1.26 -2.62 116.55 122.61 1qgx n ASP 104 Ca -0.13 1.21 -0.16 0.00 0.52 0.00 0.00 54.79 56.23 1qgx n ASP 104 Cb 0.52 -1.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.37 1qgx n ASP 104 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1qgx n ASP 105 N 0.82 -4.69 -4.06 1.67 2.03 -1.26 -5.00 116.55 106.06 1qgx n ASP 105 Ca 0.04 0.03 -0.24 0.00 0.52 0.00 0.00 54.79 55.14 1qgx n ASP 105 Cb 0.37 -3.79 -0.16 0.00 -0.72 0.00 0.00 41.12 36.82 1qgx n ASP 105 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1qgx s PHE 106 N -2.75 1.43 -0.16 -0.67 5.36 -1.08 -5.14 117.98 114.98 1qgx s PHE 106 Ca 0.00 -0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 55.51 1qgx s PHE 106 Cb 0.00 -1.00 -0.02 0.00 -0.34 0.00 0.00 43.02 41.66 1qgx s PHE 106 CO 0.00 -0.18 -0.08 -0.51 -1.46 0.00 0.00 175.22 172.99 1qgx s LEU 107 N 0.28 2.96 0.13 6.12 1.43 -1.26 -4.86 118.68 123.49 1qgx s LEU 107 Ca -0.07 -0.26 0.21 0.00 -1.03 0.00 0.00 54.13 52.98 1qgx s LEU 107 Cb -0.12 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.31 1qgx s LEU 107 CO 0.02 0.13 0.90 0.49 0.23 0.00 0.00 176.35 178.13 1qgx n PHE 108 N 3.76 0.83 -4.02 0.29 3.72 -1.26 -4.76 117.46 116.02 1qgx n PHE 108 Ca -0.18 0.25 -0.10 0.00 -0.05 0.00 0.00 57.45 57.38 1qgx n PHE 108 Cb 0.52 -0.93 -0.08 0.00 -0.94 0.00 0.00 39.48 38.05 1qgx n PHE 108 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1qgx s THR 109 N -3.27 0.08 0.00 4.37 -4.23 -1.26 -3.45 115.64 107.88 1qgx s THR 109 Ca -0.02 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1qgx s THR 109 Cb 0.10 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1qgx s THR 109 CO 0.81 -0.37 0.00 -0.46 -0.54 0.00 0.00 174.62 174.06 1qgx n ASN 110 N -0.17 0.00 -0.18 3.99 0.23 -0.72 -4.98 115.26 113.43 1qgx n ASN 110 Ca -0.07 -0.62 -0.07 0.00 -0.53 0.00 0.00 54.58 53.29 1qgx n ASN 110 Cb 0.63 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.35 1qgx n ASN 110 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1qgx h ASP 111 N 0.00 0.61 -0.15 0.53 3.32 -1.98 -2.18 116.42 116.57 1qgx h ASP 111 Ca 0.00 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.82 1qgx h ASP 111 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1qgx h ASP 111 CO 0.00 0.46 -0.62 -0.61 -1.72 0.00 0.00 179.24 176.76 1qgx h GLN 112 N 0.69 0.76 -2.67 3.56 4.15 -1.98 -3.37 115.11 116.26 1qgx h GLN 112 Ca 0.19 -0.52 -0.60 0.00 0.77 0.00 0.00 58.65 58.48 1qgx h GLN 112 Cb -0.04 0.08 -0.41 0.00 0.21 0.00 0.00 27.48 27.32 1qgx h GLN 112 CO -0.04 1.15 -0.72 1.19 -1.93 0.00 0.00 178.83 178.48 1qgx n PHE 113 N -3.97 1.96 0.62 3.99 3.72 -1.15 -4.96 117.46 117.67 1qgx n PHE 113 Ca -0.05 -3.97 0.13 0.00 -0.05 0.00 0.00 57.45 53.51 1qgx n PHE 113 Cb 0.66 -0.37 0.44 0.00 -0.94 0.00 0.00 39.48 39.27 1qgx n PHE 113 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1qgx n PRO 114 N 1.95 0.22 -3.65 -1.08 -0.04 -0.83 -1.76 135.00 129.82 1qgx n PRO 114 Ca 0.24 0.23 -0.28 0.00 -0.04 0.00 0.00 63.50 63.66 1qgx n PRO 114 Cb 0.41 -1.78 0.03 0.00 -0.04 0.00 0.00 33.50 32.12 1qgx n PRO 114 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1qgx n LEU 115 N -2.17 -3.03 -0.01 1.53 7.94 -1.26 -4.79 117.00 115.20 1qgx n LEU 115 Ca 0.05 -0.92 -0.02 0.00 -1.11 0.00 0.00 56.01 54.02 1qgx n LEU 115 Cb 0.38 -2.35 -0.01 0.00 0.53 0.00 0.00 43.42 41.97 1qgx n LEU 115 CO 0.28 0.29 -0.58 1.17 -1.11 0.00 0.00 177.39 177.44 1qgx n LYS 116 N -3.73 1.51 -3.89 1.96 4.81 -1.26 -5.03 118.16 112.53 1qgx n LYS 116 Ca -0.11 0.01 -0.23 0.00 -0.87 0.00 0.00 58.31 57.11 1qgx n LYS 116 Cb 0.59 -1.06 -0.06 0.00 0.02 0.00 0.00 35.03 34.53 1qgx n LYS 116 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1qgx s SER 117 N -3.87 4.69 0.33 3.14 1.04 -1.26 -5.01 113.70 112.77 1qgx s SER 117 Ca -0.03 -0.93 0.05 0.00 0.48 0.00 0.00 55.95 55.53 1qgx s SER 117 Cb 0.01 -0.53 0.58 0.00 0.10 0.00 0.00 66.02 66.18 1qgx s SER 117 CO 0.08 -0.58 1.83 -0.07 0.98 0.00 0.00 173.24 175.48 1qgx h LEU 118 N 1.27 0.42 -0.92 2.42 3.38 -1.99 -1.86 115.31 118.03 1qgx h LEU 118 Ca -0.42 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.34 1qgx h LEU 118 Cb 1.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1qgx h LEU 118 CO 0.65 0.58 -0.36 -0.33 0.09 0.00 0.00 178.44 179.06 1qgx h GLU 119 N 0.41 0.34 -0.21 1.13 4.39 -2.00 -2.35 114.58 116.30 1qgx h GLU 119 Ca 0.08 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1qgx h GLU 119 Cb 0.46 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1qgx h GLU 119 CO 0.03 0.66 0.11 -0.44 -1.16 0.00 0.00 179.01 178.21 1qgx h ASP 120 N 0.29 0.26 -0.21 1.42 3.32 -1.75 -1.61 116.42 118.15 1qgx h ASP 120 Ca 0.03 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1qgx h ASP 120 Cb 0.77 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 1qgx h ASP 120 CO 0.06 0.27 -0.02 0.58 -1.72 0.00 0.00 179.24 178.41 1qgx h VAL 121 N 0.23 0.83 -0.25 -1.35 2.07 -1.14 -0.25 116.25 116.39 1qgx h VAL 121 Ca 0.07 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1qgx h VAL 121 Cb 0.07 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1qgx h VAL 121 CO -0.01 0.01 0.16 0.03 0.02 0.00 0.00 177.57 177.78 1qgx h ARG 122 N 0.04 0.34 -0.42 1.57 3.08 -1.28 -0.81 114.38 116.90 1qgx h ARG 122 Ca 0.10 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.14 1qgx h ARG 122 Cb 0.13 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1qgx h ARG 122 CO -0.18 0.24 0.24 0.37 -1.07 0.00 0.00 179.97 179.57 1qgx h GLN 123 N 0.33 0.47 -0.21 0.04 4.15 -1.01 -1.88 115.11 117.01 1qgx h GLN 123 Ca 0.09 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 1qgx h GLN 123 Cb -0.02 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1qgx h GLN 123 CO -0.02 0.31 0.02 0.82 -1.93 0.00 0.00 178.83 178.04 1qgx h ILE 124 N 0.49 1.24 -0.77 2.39 1.08 -0.90 -2.38 117.51 118.65 1qgx h ILE 124 Ca 0.17 -0.80 0.08 0.00 -0.39 0.00 0.00 64.86 63.92 1qgx h ILE 124 Cb 0.02 1.35 -0.07 0.00 -3.07 0.00 0.00 36.82 35.06 1qgx h ILE 124 CO -0.09 0.25 0.44 0.40 -0.69 0.00 0.00 178.15 178.46 1qgx h ILE 125 N 0.14 0.94 0.00 -0.67 2.04 -1.00 -2.24 117.51 116.72 1qgx h ILE 125 Ca 0.06 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1qgx h ILE 125 Cb 0.35 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1qgx h ILE 125 CO 0.01 0.14 0.00 0.47 0.00 0.00 0.00 178.15 178.77 1qgx n ASP 126 N -4.75 0.00 0.00 1.72 8.00 -0.72 -2.01 116.55 118.80 1qgx n ASP 126 Ca 0.12 -0.69 0.11 0.00 0.71 0.00 0.00 54.79 55.04 1qgx n ASP 126 Cb 0.23 -0.07 0.50 0.00 -0.02 0.00 0.00 41.12 41.76 1qgx n ASP 126 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1qgx n PHE 127 N -1.07 0.00 1.00 1.24 3.72 -0.84 -2.80 117.46 118.71 1qgx n PHE 127 Ca 0.19 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.60 1qgx n PHE 127 Cb 0.13 -0.45 0.06 0.00 -0.94 0.00 0.00 39.48 38.28 1qgx n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qgx n GLY 128 N 0.76 1.03 1.07 1.37 0.00 -0.85 -3.91 105.19 104.66 1qgx n GLY 128 Ca 0.07 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.99 1qgx n GLY 128 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qgx n ASN 129 N 0.02 3.02 -4.77 1.61 6.94 -1.12 -0.10 115.26 120.86 1qgx n ASN 129 Ca 0.04 -2.35 -0.36 0.00 -0.02 0.00 0.00 54.58 51.90 1qgx n ASN 129 Cb 0.30 -0.51 0.01 0.00 -2.36 0.00 0.00 39.78 37.22 1qgx n ASN 129 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1qgx s TYR 130 N -1.79 2.64 -2.10 -2.53 5.04 -0.81 -4.96 117.35 112.85 1qgx s TYR 130 Ca 0.27 1.53 0.23 0.00 -2.44 0.00 0.00 57.07 56.65 1qgx s TYR 130 Cb 0.19 -3.38 0.60 0.00 0.35 0.00 0.00 41.96 39.72 1qgx s TYR 130 CO 0.10 -1.75 1.51 0.39 -1.34 0.00 0.00 175.55 174.46 1qgx n GLU 131 N -1.14 2.68 0.00 4.97 -0.58 -1.26 -4.49 120.64 120.82 1qgx n GLU 131 Ca 0.11 -2.60 0.00 0.00 -0.42 0.00 0.00 57.16 54.25 1qgx n GLU 131 Cb 0.50 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 1qgx n GLU 131 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qgx n GLY 132 N 1.64 -0.29 0.00 0.62 0.00 -1.26 -3.00 105.19 102.90 1qgx n GLY 132 Ca 0.24 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1qgx n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qgx n GLY 133 N 0.00 0.90 0.15 -0.02 0.00 -1.26 -4.77 105.19 100.19 1qgx n GLY 133 Ca 0.00 -2.13 -0.07 0.00 0.00 0.00 0.00 46.02 43.82 1qgx n GLY 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qgx h ARG 134 N 7.65 0.23 -6.47 1.61 9.65 -1.80 -3.38 114.38 121.88 1qgx h ARG 134 Ca 0.00 -0.20 -0.66 0.00 -1.10 0.00 0.00 59.98 58.02 1qgx h ARG 134 Cb 0.00 0.04 -0.15 0.00 -1.39 0.00 0.00 29.97 28.48 1qgx h ARG 134 CO 0.00 0.86 -0.71 0.15 2.80 0.00 0.00 179.97 183.07 1qgx s LYS 135 N -3.51 2.29 0.00 0.20 1.02 -1.26 -2.71 119.74 115.77 1qgx s LYS 135 Ca -0.04 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.01 1qgx s LYS 135 Cb 0.11 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1qgx s LYS 135 CO 0.81 0.52 0.00 0.41 -0.92 0.00 0.00 175.35 176.18 1qgx n GLY 136 N 0.71 -1.18 3.70 -3.33 0.00 -1.26 -4.68 105.19 99.14 1qgx n GLY 136 Ca -0.13 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 1qgx n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qgx s ARG 137 N -1.48 4.19 0.07 1.61 3.52 -1.26 -1.23 118.95 124.37 1qgx s ARG 137 Ca 0.00 0.02 -0.12 0.00 -0.13 0.00 0.00 55.73 55.49 1qgx s ARG 137 Cb 0.00 -3.48 0.02 0.00 -1.56 0.00 0.00 34.95 29.92 1qgx s ARG 137 CO 0.00 0.12 0.28 -0.59 -0.81 0.00 0.00 175.30 174.30 1qgx s PHE 138 N 0.85 -0.04 0.21 5.12 -0.71 0.15 -4.50 117.98 119.06 1qgx s PHE 138 Ca 0.14 -0.22 -0.05 0.00 -1.04 0.00 0.00 56.93 55.76 1qgx s PHE 138 Cb -0.13 0.07 -0.06 0.00 -1.21 0.00 0.00 43.02 41.69 1qgx s PHE 138 CO 0.05 -0.55 0.47 -1.58 -1.34 0.00 0.00 175.22 172.27 1qgx s TRP 139 N -3.15 3.46 -0.10 3.49 0.52 0.22 -0.32 118.94 123.06 1qgx s TRP 139 Ca -0.01 0.63 -0.00 0.00 0.02 0.00 0.00 56.10 56.74 1qgx s TRP 139 Cb 0.01 -2.07 0.02 0.00 -1.15 0.00 0.00 33.47 30.28 1qgx s TRP 139 CO -0.07 0.32 -0.08 0.00 0.02 0.00 0.00 176.95 177.14 1qgx s LEU 141 N 1.55 1.32 -0.33 0.00 2.96 0.52 -0.83 118.68 123.87 1qgx s LEU 141 Ca 0.02 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 53.79 1qgx s LEU 141 Cb -0.13 -0.46 0.08 0.00 0.50 0.00 0.00 46.19 46.17 1qgx s LEU 141 CO -0.06 -0.05 0.05 -0.62 -1.32 0.00 0.00 176.35 174.34 1qgx s ASP 142 N 0.94 4.89 0.18 3.68 -1.08 -0.19 -1.96 116.67 123.13 1qgx s ASP 142 Ca -0.11 -1.68 -0.10 0.00 -0.52 0.00 0.00 52.55 50.14 1qgx s ASP 142 Cb -0.14 -1.70 0.09 0.00 -1.46 0.00 0.00 42.92 39.71 1qgx s ASP 142 CO 0.00 -0.35 1.71 1.55 0.52 0.00 0.00 175.17 178.60 1qgx h PRO 143 N 7.89 1.01 -3.82 4.34 0.13 -1.86 -1.00 132.00 138.69 1qgx h PRO 143 Ca -0.15 -0.22 -0.58 0.00 -0.87 0.00 0.00 66.00 64.18 1qgx h PRO 143 Cb 1.05 -0.14 -0.40 0.00 0.13 0.00 0.00 31.00 31.64 1qgx h PRO 143 CO 0.56 0.89 -0.76 0.42 -0.23 0.00 0.00 178.00 178.88 1qgx s ILE 144 N -5.40 1.07 -0.23 -3.56 1.01 -1.26 -4.39 121.20 108.43 1qgx s ILE 144 Ca -0.12 -1.28 -0.18 0.00 0.00 0.00 0.00 60.65 59.06 1qgx s ILE 144 Cb 0.14 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 1qgx s ILE 144 CO 0.82 -0.46 0.53 -0.62 0.00 0.00 0.00 174.94 175.22 1qgx s ASP 145 N 1.55 6.51 0.00 3.58 -1.08 0.17 -3.98 116.67 123.42 1qgx s ASP 145 Ca 0.04 0.62 0.00 0.00 -0.52 0.00 0.00 52.55 52.69 1qgx s ASP 145 Cb -0.18 -2.29 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1qgx s ASP 145 CO -0.16 -0.25 0.00 0.61 0.52 0.00 0.00 175.17 175.88 1qgx n GLY 146 N 4.14 0.64 0.25 2.66 0.00 -1.26 -1.50 105.19 110.12 1qgx n GLY 146 Ca -0.04 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.66 1qgx n GLY 146 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qgx h THR 147 N 0.00 1.10 -0.10 2.61 2.02 -1.92 0.40 112.91 117.01 1qgx h THR 147 Ca 0.00 -0.43 -0.11 0.00 0.77 0.00 0.00 66.41 66.64 1qgx h THR 147 Cb 0.63 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1qgx h THR 147 CO 0.00 0.13 -0.42 0.11 0.37 0.00 0.00 175.52 175.71 1qgx h LYS 148 N 0.13 0.23 -0.19 6.66 1.57 -1.93 0.05 116.57 123.08 1qgx h LYS 148 Ca 0.03 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1qgx h LYS 148 Cb 0.19 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1qgx h LYS 148 CO 0.01 0.62 0.06 0.78 -0.57 0.00 0.00 179.45 180.35 1qgx h GLY 149 N 1.24 0.33 0.42 3.86 0.00 -1.16 -1.88 103.07 105.88 1qgx h GLY 149 Ca 0.02 -0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.23 1qgx h GLY 149 CO 0.07 0.18 0.16 -2.75 0.00 0.00 0.00 176.54 174.20 1qgx h PHE 150 N 0.14 0.28 0.00 5.60 3.57 -0.92 -0.65 116.94 124.95 1qgx h PHE 150 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1qgx h PHE 150 Cb 0.23 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1qgx h PHE 150 CO 0.00 0.06 0.00 -0.07 -2.23 0.00 0.00 178.31 176.07 1qgx h LEU 151 N 0.32 0.00 -0.72 0.59 3.38 -0.90 -1.89 115.31 116.10 1qgx h LEU 151 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1qgx h LEU 151 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1qgx h LEU 151 CO -0.30 0.00 -0.00 0.54 0.09 0.00 0.00 178.44 178.77 1qgx n ARG 152 N -2.98 1.49 -1.60 1.13 1.74 -0.71 -4.85 116.66 110.88 1qgx n ARG 152 Ca 0.02 -0.72 -0.09 0.00 -0.77 0.00 0.00 57.85 56.29 1qgx n ARG 152 Cb 0.36 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 1qgx n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qgx n GLY 153 N 1.13 0.66 0.00 -0.13 0.00 -0.71 -5.01 105.19 101.14 1qgx n GLY 153 Ca 0.20 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1qgx n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qgx n GLU 154 N -2.41 3.61 -2.61 1.61 1.02 -0.30 -5.03 120.64 116.54 1qgx n GLU 154 Ca -0.09 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.71 1qgx n GLU 154 Cb 0.40 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.77 1qgx n GLU 154 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1qgx s GLN 155 N 3.50 3.99 0.19 3.49 -1.52 -1.26 -4.52 119.66 123.52 1qgx s GLN 155 Ca 0.00 1.17 -0.23 0.00 -1.95 0.00 0.00 55.36 54.35 1qgx s GLN 155 Cb 0.00 -2.14 0.05 0.00 -0.22 0.00 0.00 33.01 30.71 1qgx s GLN 155 CO 0.00 -0.25 0.78 -0.59 -0.25 0.00 0.00 175.29 174.98 1qgx s PHE 156 N -2.21 -0.27 0.04 0.91 -0.71 -1.26 -3.53 117.98 110.96 1qgx s PHE 156 Ca 0.63 -0.06 -0.05 0.00 -1.04 0.00 0.00 56.93 56.41 1qgx s PHE 156 Cb -0.12 0.64 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 1qgx s PHE 156 CO 0.20 -0.97 0.07 0.00 -1.34 0.00 0.00 175.22 173.18 1qgx s ALA 157 N -3.62 0.04 -0.32 1.99 0.00 -0.57 -4.24 121.76 115.04 1qgx s ALA 157 Ca 0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 1qgx s ALA 157 Cb -0.03 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.40 1qgx s ALA 157 CO -0.00 -0.34 0.05 0.08 0.00 0.00 0.00 175.76 175.55 1qgx s VAL 158 N -2.90 3.37 -0.13 0.00 1.01 0.24 0.42 120.40 122.41 1qgx s VAL 158 Ca -0.03 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.70 1qgx s VAL 158 Cb 0.01 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1qgx s VAL 158 CO -0.06 -0.15 -0.20 0.00 0.00 0.00 0.00 175.10 174.69 1qgx s LEU 160 N 0.66 1.97 0.12 0.00 2.96 -0.07 -1.02 118.68 123.31 1qgx s LEU 160 Ca -0.10 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1qgx s LEU 160 Cb -0.16 -0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 1qgx s LEU 160 CO 0.02 0.08 0.08 0.00 -1.32 0.00 0.00 176.35 175.22 1qgx s ALA 161 N -0.11 0.64 -0.15 5.97 0.00 -0.01 -0.51 121.76 127.60 1qgx s ALA 161 Ca 0.02 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.67 1qgx s ALA 161 Cb -0.04 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.86 1qgx s ALA 161 CO -0.00 -0.50 -0.17 -1.17 0.00 0.00 0.00 175.76 173.92 1qgx s LEU 162 N -3.01 2.38 -0.09 0.00 2.96 -0.40 0.14 118.68 120.66 1qgx s LEU 162 Ca 0.20 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1qgx s LEU 162 Cb 0.07 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 1qgx s LEU 162 CO -0.01 0.09 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.39 1qgx s ILE 163 N 0.78 3.46 -0.08 6.68 1.01 0.56 -0.63 121.20 132.98 1qgx s ILE 163 Ca -0.06 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 1qgx s ILE 163 Cb -0.15 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 39.91 1qgx s ILE 163 CO -0.00 0.56 -0.03 -0.69 0.00 0.00 0.00 174.94 174.78 1qgx s VAL 164 N -0.36 0.61 -1.46 2.92 1.01 -0.33 -0.67 120.40 122.12 1qgx s VAL 164 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1qgx s VAL 164 Cb -0.12 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.61 1qgx s VAL 164 CO 0.02 0.29 0.84 0.47 0.00 0.00 0.00 175.10 176.72 1qgx n ASP 165 N 4.85 -3.23 0.00 3.32 8.00 -0.36 -2.07 116.55 127.06 1qgx n ASP 165 Ca -0.12 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1qgx n ASP 165 Cb 0.50 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 1qgx n ASP 165 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qgx n GLY 166 N -1.67 0.46 3.38 0.44 0.00 -1.10 -4.82 105.19 101.89 1qgx n GLY 166 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1qgx n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qgx s VAL 167 N -2.19 2.82 -0.10 1.61 1.01 -0.88 -3.23 120.40 119.44 1qgx s VAL 167 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1qgx s VAL 167 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1qgx s VAL 167 CO 0.00 0.56 1.29 -0.69 0.00 0.00 0.00 175.10 176.26 1qgx s VAL 168 N -0.14 4.15 -0.10 2.92 1.01 -1.26 -1.19 120.40 125.78 1qgx s VAL 168 Ca -0.02 1.44 0.20 0.00 0.00 0.00 0.00 61.98 63.60 1qgx s VAL 168 Cb -0.14 -3.93 -0.27 0.00 0.00 0.00 0.00 36.38 32.04 1qgx s VAL 168 CO 0.04 -0.07 0.41 0.00 0.00 0.00 0.00 175.10 175.47 1qgx n GLN 169 N 6.04 0.66 -3.73 2.72 1.13 0.20 -4.74 117.38 119.66 1qgx n GLN 169 Ca 0.13 -0.08 -0.12 0.00 -1.94 0.00 0.00 57.00 54.99 1qgx n GLN 169 Cb 0.45 -1.56 -0.11 0.00 0.11 0.00 0.00 30.24 29.13 1qgx n GLN 169 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1qgx s LEU 170 N -5.00 0.38 0.05 1.08 0.20 -1.15 -0.56 118.68 113.69 1qgx s LEU 170 Ca -0.08 0.79 0.02 0.00 0.69 0.00 0.00 54.13 55.55 1qgx s LEU 170 Cb 0.11 1.29 -0.03 0.00 -0.43 0.00 0.00 46.19 47.13 1qgx s LEU 170 CO 0.87 -0.15 -0.07 -0.83 -0.29 0.00 0.00 176.35 175.88 1qgx s GLY 171 N 0.53 0.56 -0.18 7.98 0.00 0.20 -1.27 107.32 115.13 1qgx s GLY 171 Ca -0.03 -0.89 -0.06 0.00 0.00 0.00 0.00 44.72 43.74 1qgx s GLY 171 CO -0.03 -0.95 0.38 0.00 0.00 0.00 0.00 173.10 172.50 1qgx s ILE 173 N 2.52 1.60 -0.09 0.00 1.01 0.10 -0.89 121.20 125.45 1qgx s ILE 173 Ca -0.01 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 59.79 1qgx s ILE 173 Cb -0.12 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 1qgx s ILE 173 CO -0.12 0.45 0.49 -0.83 0.00 0.00 0.00 174.94 174.93 1qgx s GLY 174 N 1.48 2.44 -0.48 6.18 0.00 0.38 -1.24 107.32 116.07 1qgx s GLY 174 Ca 0.05 -0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.64 1qgx s GLY 174 CO -0.11 0.70 0.25 0.00 0.00 0.00 0.00 173.10 173.94 1qgx h PRO 176 N 6.62 0.00 -0.20 0.00 0.11 -1.74 -2.63 132.00 134.16 1qgx h PRO 176 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1qgx h PRO 176 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1qgx h PRO 176 CO 0.60 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.68 1qgx n ASN 177 N -3.08 2.52 -4.61 -2.05 2.85 -1.26 -2.69 115.26 106.93 1qgx n ASN 177 Ca 0.01 -1.98 -0.43 0.00 -0.11 0.00 0.00 54.58 52.06 1qgx n ASN 177 Cb 0.30 -0.13 -0.02 0.00 1.24 0.00 0.00 39.78 41.17 1qgx n ASN 177 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1qgx s LEU 178 N -0.99 3.71 -0.33 1.20 2.96 -1.12 -4.94 118.68 119.17 1qgx s LEU 178 Ca 0.13 1.09 -0.09 0.00 -0.22 0.00 0.00 54.13 55.04 1qgx s LEU 178 Cb 0.07 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.24 1qgx s LEU 178 CO 0.09 -1.33 0.15 -0.69 -1.32 0.00 0.00 176.35 173.25 1qgx s VAL 179 N 5.21 4.32 0.31 1.68 1.01 -1.26 -4.66 120.40 127.02 1qgx s VAL 179 Ca 0.63 -0.73 0.35 0.00 0.00 0.00 0.00 61.98 62.23 1qgx s VAL 179 Cb -0.17 -3.31 0.38 0.00 0.00 0.00 0.00 36.38 33.28 1qgx s VAL 179 CO 0.29 -0.06 2.10 -0.07 0.00 0.00 0.00 175.10 177.36 1qgx h LEU 180 N 8.33 0.00 -1.64 3.92 3.38 -1.86 -2.26 115.31 125.18 1qgx h LEU 180 Ca -0.29 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1qgx h LEU 180 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1qgx h LEU 180 CO 0.63 0.04 -0.16 0.77 0.09 0.00 0.00 178.44 179.80 1qgx h SER 181 N 0.00 0.00 -0.23 -0.43 4.64 -1.82 -1.91 113.55 113.81 1qgx h SER 181 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1qgx h SER 181 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1qgx h SER 181 CO 0.00 0.16 0.10 0.28 -0.87 0.00 0.00 176.83 176.51 1qgx h SER 182 N 0.00 0.35 0.00 4.97 0.02 -1.69 -3.39 113.55 113.81 1qgx h SER 182 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1qgx h SER 182 Cb 0.48 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1qgx h SER 182 CO 0.02 0.33 0.00 -1.22 -1.14 0.00 0.00 176.83 174.82 1qgx n TYR 183 N -4.41 0.00 -0.28 3.45 4.01 -0.73 -4.99 117.16 114.20 1qgx n TYR 183 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1qgx n TYR 183 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1qgx n TYR 183 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qgx n GLY 184 N 5.00 -0.26 4.01 2.72 0.00 -1.23 -5.08 105.19 110.35 1qgx n GLY 184 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1qgx n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qgx s ALA 185 N -0.14 4.11 0.23 4.61 0.00 -1.14 -4.96 121.76 124.48 1qgx s ALA 185 Ca 0.00 -1.82 -0.14 0.00 0.00 0.00 0.00 51.96 50.00 1qgx s ALA 185 Cb 0.00 -1.81 -0.08 0.00 0.00 0.00 0.00 23.12 21.23 1qgx s ALA 185 CO 0.00 -1.11 0.64 -0.65 0.00 0.00 0.00 175.76 174.64 1qgx s GLN 186 N -4.89 4.00 -0.04 0.00 -0.21 -1.26 -2.80 119.66 114.46 1qgx s GLN 186 Ca 0.63 0.57 -0.04 0.00 0.02 0.00 0.00 55.36 56.54 1qgx s GLN 186 Cb -0.06 -2.71 -0.04 0.00 1.00 0.00 0.00 33.01 31.20 1qgx s GLN 186 CO 0.41 0.33 0.17 -0.51 -2.12 0.00 0.00 175.29 173.57 1qgx s ASP 187 N -2.02 6.35 0.34 5.90 1.01 -1.26 -4.76 116.67 122.23 1qgx s ASP 187 Ca 0.46 0.37 -0.07 0.00 0.71 0.00 0.00 52.55 54.02 1qgx s ASP 187 Cb -0.13 -2.00 -0.06 0.00 1.01 0.00 0.00 42.92 41.74 1qgx s ASP 187 CO 0.19 0.30 0.64 -0.76 0.21 0.00 0.00 175.17 175.75 1qgx s LEU 188 N -1.72 3.97 -0.23 1.23 1.43 -1.26 -5.01 118.68 117.09 1qgx s LEU 188 Ca 0.24 0.87 -0.39 0.00 -1.03 0.00 0.00 54.13 53.83 1qgx s LEU 188 Cb -0.12 -3.71 -0.15 0.00 0.03 0.00 0.00 46.19 42.23 1qgx s LEU 188 CO 0.15 -0.28 1.78 2.29 0.23 0.00 0.00 176.35 180.52 1qgx n LYS 189 N -1.09 1.41 -0.24 1.70 2.85 -1.26 -1.85 118.16 119.68 1qgx n LYS 189 Ca -0.00 0.52 0.00 0.00 -1.05 0.00 0.00 58.31 57.78 1qgx n LYS 189 Cb 0.54 -2.24 0.00 0.00 -0.65 0.00 0.00 35.03 32.68 1qgx n LYS 189 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qgx n GLY 190 N 4.24 0.69 0.28 2.58 0.00 -1.26 -4.80 105.19 106.92 1qgx n GLY 190 Ca 0.25 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.44 1qgx n GLY 190 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1qgx h HIS 191 N 0.00 0.00 -0.00 1.61 2.07 -1.62 -3.26 115.15 113.96 1qgx h HIS 191 Ca 0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.40 1qgx h HIS 191 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1qgx h HIS 191 CO 0.00 0.07 -0.57 0.93 -3.07 0.00 0.00 177.93 175.29 1qgx h GLU 192 N 0.00 0.00 -0.04 5.12 3.07 -1.87 -1.63 114.58 119.23 1qgx h GLU 192 Ca -0.00 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1qgx h GLU 192 Cb 0.41 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1qgx h GLU 192 CO 0.01 0.57 -0.05 0.66 -1.40 0.00 0.00 179.01 178.80 1qgx h SER 193 N 0.00 0.11 -0.19 1.42 4.64 -1.95 -3.41 113.55 114.17 1qgx h SER 193 Ca -0.01 -0.51 -0.21 0.00 -0.47 0.00 0.00 61.79 60.59 1qgx h SER 193 Cb 1.01 -0.03 -0.25 0.00 -0.31 0.00 0.00 62.40 62.82 1qgx h SER 193 CO 0.07 0.60 -0.61 2.22 -0.87 0.00 0.00 176.83 178.25 1qgx n PHE 194 N -4.75 -0.84 -4.38 4.77 -1.74 -1.25 -4.99 117.46 104.28 1qgx n PHE 194 Ca -0.08 -1.93 0.00 0.00 -0.56 0.00 0.00 57.45 54.88 1qgx n PHE 194 Cb 0.30 0.87 0.00 0.00 1.52 0.00 0.00 39.48 42.17 1qgx n PHE 194 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1qgx n GLY 195 N -1.08 1.13 3.27 4.97 0.00 -0.61 -4.25 105.19 108.61 1qgx n GLY 195 Ca -0.07 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 1qgx n GLY 195 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qgx s TYR 196 N 0.00 1.62 -0.11 1.61 2.02 -1.01 -0.76 117.35 120.71 1qgx s TYR 196 Ca 0.00 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 1qgx s TYR 196 Cb 0.00 -0.86 -0.01 0.00 -0.40 0.00 0.00 41.96 40.69 1qgx s TYR 196 CO 0.00 0.21 -0.16 0.42 -1.57 0.00 0.00 175.55 174.45 1qgx s ILE 197 N -1.69 2.82 -0.01 2.71 1.01 0.06 -0.25 121.20 125.86 1qgx s ILE 197 Ca 0.09 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1qgx s ILE 197 Cb -0.07 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 1qgx s ILE 197 CO 0.04 0.54 -0.10 -0.36 0.00 0.00 0.00 174.94 175.07 1qgx s PHE 198 N 0.23 2.82 0.13 3.97 0.40 -0.37 -1.27 117.98 123.88 1qgx s PHE 198 Ca -0.10 -0.08 -0.18 0.00 -0.60 0.00 0.00 56.93 55.97 1qgx s PHE 198 Cb -0.16 -1.61 0.04 0.00 0.51 0.00 0.00 43.02 41.81 1qgx s PHE 198 CO 0.06 0.32 0.44 -0.98 0.70 0.00 0.00 175.22 175.76 1qgx s ARG 199 N -1.22 1.11 -0.14 0.44 1.70 0.20 -0.72 118.95 120.32 1qgx s ARG 199 Ca 0.15 -0.64 -0.29 0.00 -0.47 0.00 0.00 55.73 54.48 1qgx s ARG 199 Cb -0.11 0.49 0.08 0.00 -0.57 0.00 0.00 34.95 34.85 1qgx s ARG 199 CO 0.05 -0.44 0.76 0.00 -1.08 0.00 0.00 175.30 174.59 1qgx s ALA 200 N -3.74 -1.81 -0.04 7.88 0.00 -0.55 -0.92 121.76 122.59 1qgx s ALA 200 Ca 0.02 1.57 0.06 0.00 0.00 0.00 0.00 51.96 53.62 1qgx s ALA 200 Cb 0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1qgx s ALA 200 CO -0.12 -0.34 -0.22 0.08 0.00 0.00 0.00 175.76 175.16 1qgx s VAL 201 N -0.69 2.37 0.13 0.00 1.01 -1.24 -0.63 120.40 121.36 1qgx s VAL 201 Ca -0.06 -0.98 -0.33 0.00 0.00 0.00 0.00 61.98 60.61 1qgx s VAL 201 Cb -0.02 -1.87 -0.12 0.00 0.00 0.00 0.00 36.38 34.37 1qgx s VAL 201 CO 0.05 0.58 1.71 -1.14 0.00 0.00 0.00 175.10 176.30 1qgx n ARG 202 N 2.54 2.45 -0.07 2.72 3.00 0.27 -1.31 116.66 126.27 1qgx n ARG 202 Ca -0.17 0.89 0.00 0.00 -0.00 0.00 0.00 57.85 58.57 1qgx n ARG 202 Cb 0.52 -2.71 0.00 0.00 0.00 0.00 0.00 32.46 30.26 1qgx n ARG 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qgx n GLY 203 N 3.85 1.45 0.09 5.14 0.00 -1.26 -4.89 105.19 109.56 1qgx n GLY 203 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1qgx n GLY 203 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qgx n LEU 204 N 0.00 1.70 0.00 0.99 4.77 -0.42 -5.12 117.00 118.91 1qgx n LEU 204 Ca 0.00 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 1qgx n LEU 204 Cb 0.00 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1qgx n LEU 204 CO 0.00 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1qgx n GLY 205 N -0.14 0.17 3.44 -0.72 0.00 -1.25 -4.86 105.19 101.83 1qgx n GLY 205 Ca 0.01 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 1qgx n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qgx s ALA 206 N -2.39 2.57 0.05 4.61 0.00 -1.25 -3.60 121.76 121.75 1qgx s ALA 206 Ca 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 1qgx s ALA 206 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1qgx s ALA 206 CO 0.00 0.54 -0.01 -0.06 0.00 0.00 0.00 175.76 176.23 1qgx s PHE 207 N -0.67 0.44 0.15 0.00 0.40 -0.09 -0.93 117.98 117.27 1qgx s PHE 207 Ca 0.10 -0.92 -0.02 0.00 -0.60 0.00 0.00 56.93 55.50 1qgx s PHE 207 Cb -0.11 -0.32 -0.04 0.00 0.51 0.00 0.00 43.02 43.06 1qgx s PHE 207 CO 0.00 -0.36 0.09 1.52 0.70 0.00 0.00 175.22 177.17 1qgx s TYR 208 N -3.43 0.88 -0.14 0.36 1.13 0.07 -0.62 117.35 115.59 1qgx s TYR 208 Ca 0.02 -1.23 -0.29 0.00 -1.41 0.00 0.00 57.07 54.17 1qgx s TYR 208 Cb 0.04 -0.46 0.09 0.00 -1.10 0.00 0.00 41.96 40.53 1qgx s TYR 208 CO -0.08 -0.56 0.78 0.45 -2.51 0.00 0.00 175.55 173.63 1qgx s SER 209 N -3.06 -0.61 0.28 -0.18 0.15 -0.39 -1.07 113.70 108.81 1qgx s SER 209 Ca 0.26 0.83 -0.29 0.00 0.70 0.00 0.00 55.95 57.46 1qgx s SER 209 Cb 0.07 0.73 -0.14 0.00 -1.71 0.00 0.00 66.02 64.97 1qgx s SER 209 CO 0.04 -0.44 1.03 -2.65 1.20 0.00 0.00 173.24 172.41 1qgx n PRO 210 N 1.38 1.34 -0.31 5.44 -0.02 -1.26 -0.76 135.00 140.81 1qgx n PRO 210 Ca -0.16 0.47 0.03 0.00 -2.02 0.00 0.00 63.50 61.82 1qgx n PRO 210 Cb 0.57 -1.86 0.23 0.00 -0.02 0.00 0.00 33.50 32.42 1qgx n PRO 210 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1qgx h SER 211 N 2.17 0.93 0.50 2.55 0.02 -1.18 -0.66 113.55 117.88 1qgx h SER 211 Ca -0.40 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1qgx h SER 211 Cb 1.34 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 1qgx h SER 211 CO 0.62 0.61 -0.00 0.77 -1.14 0.00 0.00 176.83 177.69 1qgx h SER 212 N 1.07 0.00 0.00 3.07 4.64 -1.80 -3.33 113.55 117.20 1qgx h SER 212 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1qgx h SER 212 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1qgx h SER 212 CO -0.13 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.16 1qgx n ASP 213 N -3.10 0.00 -2.03 4.97 -0.08 -0.34 -4.95 116.55 111.02 1qgx n ASP 213 Ca -0.01 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.06 1qgx n ASP 213 Cb 0.19 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.60 1qgx n ASP 213 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1qgx n ALA 214 N -1.60 -0.48 0.00 -1.67 0.00 -0.71 -4.77 120.51 111.28 1qgx n ALA 214 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1qgx n ALA 214 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.31 1qgx n ALA 214 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qgx n GLU 215 N -2.73 0.00 -3.24 0.00 -0.58 -1.26 -4.97 120.64 107.86 1qgx n GLU 215 Ca -0.23 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.10 1qgx n GLU 215 Cb 0.69 -0.75 -0.08 0.00 -0.57 0.00 0.00 31.44 30.73 1qgx n GLU 215 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1qgx s SER 216 N -4.22 6.35 -0.14 1.62 0.15 -1.26 -5.06 113.70 111.14 1qgx s SER 216 Ca 0.00 0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 1qgx s SER 216 Cb 0.00 -2.27 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1qgx s SER 216 CO 0.00 -0.42 -0.06 0.26 1.20 0.00 0.00 173.24 174.23 1qgx s TRP 217 N 2.37 2.98 -0.20 3.44 0.52 -1.26 -4.57 118.94 122.21 1qgx s TRP 217 Ca 0.19 -0.30 -0.05 0.00 0.02 0.00 0.00 56.10 55.96 1qgx s TRP 217 Cb -0.15 -1.91 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 1qgx s TRP 217 CO 0.12 -0.01 0.01 0.99 0.02 0.00 0.00 176.95 178.08 1qgx s THR 218 N 0.19 4.00 0.36 2.01 2.01 -0.23 -4.91 115.64 119.07 1qgx s THR 218 Ca -0.03 -0.30 -0.27 0.00 0.31 0.00 0.00 61.69 61.40 1qgx s THR 218 Cb -0.14 -2.81 -0.09 0.00 0.01 0.00 0.00 72.50 69.46 1qgx s THR 218 CO 0.03 0.42 1.23 -0.75 -0.69 0.00 0.00 174.62 174.87 1qgx s LYS 219 N 1.03 4.24 0.23 4.92 2.20 -1.26 -0.75 119.74 130.34 1qgx s LYS 219 Ca 0.02 2.02 0.09 0.00 -0.36 0.00 0.00 55.97 57.75 1qgx s LYS 219 Cb -0.14 -2.91 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 1qgx s LYS 219 CO 0.02 -0.22 -0.17 0.96 -0.36 0.00 0.00 175.35 175.58 1qgx s ILE 220 N -1.25 2.02 -0.09 5.43 -4.36 -0.11 -4.90 121.20 117.95 1qgx s ILE 220 Ca 0.52 -2.24 -0.23 0.00 -0.26 0.00 0.00 60.65 58.44 1qgx s ILE 220 Cb -0.35 -2.11 0.05 0.00 1.25 0.00 0.00 42.46 41.30 1qgx s ILE 220 CO 0.46 -0.48 0.54 -2.28 0.24 0.00 0.00 174.94 173.41 1qgx s HIS 221 N -2.67 -0.51 0.87 1.37 2.46 -0.99 -4.51 115.29 111.31 1qgx s HIS 221 Ca 0.24 0.99 -0.11 0.00 0.47 0.00 0.00 55.06 56.66 1qgx s HIS 221 Cb -0.03 0.26 0.12 0.00 -0.13 0.00 0.00 32.58 32.80 1qgx s HIS 221 CO 0.10 -0.45 1.14 0.14 -2.47 0.00 0.00 174.74 173.20 1qgx s VAL 222 N -0.77 2.29 0.61 0.89 -7.23 0.72 -3.52 120.40 113.40 1qgx s VAL 222 Ca -0.08 0.10 0.02 0.00 -1.81 0.00 0.00 61.98 60.20 1qgx s VAL 222 Cb -0.03 -2.25 0.07 0.00 0.56 0.00 0.00 36.38 34.73 1qgx s VAL 222 CO 0.05 -0.12 0.85 0.00 -0.31 0.00 0.00 175.10 175.57 1qgx s ARG 223 N -4.62 2.21 -0.38 4.82 1.70 -1.26 -4.86 118.95 116.56 1qgx s ARG 223 Ca 0.67 -1.00 0.01 0.00 -0.47 0.00 0.00 55.73 54.93 1qgx s ARG 223 Cb -0.22 -2.46 0.14 0.00 -0.57 0.00 0.00 34.95 31.84 1qgx s ARG 223 CO 0.56 -0.98 0.22 -1.01 -1.08 0.00 0.00 175.30 173.01 1qgx s HIS 224 N -2.88 1.11 0.38 5.89 3.76 -1.26 -4.79 115.29 117.49 1qgx s HIS 224 Ca 0.61 -1.88 -0.07 0.00 -0.15 0.00 0.00 55.06 53.57 1qgx s HIS 224 Cb -0.08 -1.21 -0.05 0.00 1.11 0.00 0.00 32.58 32.34 1qgx s HIS 224 CO 0.40 -0.81 0.69 -0.51 -0.85 0.00 0.00 174.74 173.66 1qgx s LEU 225 N 0.84 3.88 -0.21 0.89 1.43 -1.26 -5.02 118.68 119.22 1qgx s LEU 225 Ca 0.18 0.92 0.07 0.00 -1.03 0.00 0.00 54.13 54.27 1qgx s LEU 225 Cb -0.23 -3.79 -0.21 0.00 0.03 0.00 0.00 46.19 41.99 1qgx s LEU 225 CO 0.00 -0.36 -0.02 1.17 0.23 0.00 0.00 176.35 177.37 1qgx n LYS 226 N -1.37 0.67 -3.85 1.70 4.81 -1.26 -4.92 118.16 113.94 1qgx n LYS 226 Ca 0.00 0.12 -0.35 0.00 -0.87 0.00 0.00 58.31 57.21 1qgx n LYS 226 Cb 0.54 -1.56 -0.10 0.00 0.02 0.00 0.00 35.03 33.94 1qgx n LYS 226 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1qgx s ASP 227 N -6.22 5.79 0.56 3.14 -1.08 -1.26 -4.98 116.67 112.61 1qgx s ASP 227 Ca -0.24 0.08 0.24 0.00 -0.52 0.00 0.00 52.55 52.11 1qgx s ASP 227 Cb 0.08 -2.01 1.58 0.00 -1.46 0.00 0.00 42.92 41.10 1qgx s ASP 227 CO 0.70 0.12 2.20 0.71 0.52 0.00 0.00 175.17 179.42 1qgx h THR 228 N 4.96 0.72 0.00 1.71 1.35 -1.91 -1.34 112.91 118.39 1qgx h THR 228 Ca -0.38 -0.06 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 1qgx h THR 228 Cb 1.17 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1qgx h THR 228 CO 0.68 0.02 -0.03 0.07 -0.25 0.00 0.00 175.52 176.01 1qgx h LYS 229 N 0.00 0.00 -0.01 4.72 2.10 -1.73 -1.79 116.57 119.86 1qgx h LYS 229 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qgx h LYS 229 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1qgx h LYS 229 CO 0.00 0.03 -0.41 -0.25 -2.00 0.00 0.00 179.45 176.82 1qgx n ASP 230 N -3.47 1.42 -4.85 7.07 8.00 -0.51 -4.49 116.55 119.73 1qgx n ASP 230 Ca -0.02 -1.13 -0.31 0.00 0.71 0.00 0.00 54.79 54.04 1qgx n ASP 230 Cb 0.13 0.34 0.03 0.00 -0.02 0.00 0.00 41.12 41.61 1qgx n ASP 230 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1qgx s MET 231 N -2.55 3.20 -0.11 -1.24 -1.94 -0.67 -5.00 119.30 111.00 1qgx s MET 231 Ca 0.20 0.75 0.04 0.00 -1.71 0.00 0.00 55.69 54.96 1qgx s MET 231 Cb 0.18 -2.04 0.00 0.00 2.01 0.00 0.00 34.83 34.99 1qgx s MET 231 CO 0.57 -0.86 -0.23 0.42 -0.01 0.00 0.00 175.02 174.92 1qgx s ILE 232 N -3.17 2.01 0.36 2.53 1.01 -1.26 -4.07 121.20 118.60 1qgx s ILE 232 Ca 0.57 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 1qgx s ILE 232 Cb -0.12 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1qgx s ILE 232 CO 0.54 0.55 0.63 0.42 0.00 0.00 0.00 174.94 177.07 1qgx s THR 233 N 0.46 5.00 -0.18 2.92 -4.23 -0.73 -1.07 115.64 117.81 1qgx s THR 233 Ca -0.16 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1qgx s THR 233 Cb -0.17 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 69.88 1qgx s THR 233 CO 0.06 -0.53 -0.17 -0.76 -0.54 0.00 0.00 174.62 172.68 1qgx s LEU 234 N -4.06 2.28 0.03 4.79 1.43 0.12 -0.66 118.68 122.61 1qgx s LEU 234 Ca 0.44 -0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1qgx s LEU 234 Cb -0.10 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1qgx s LEU 234 CO 0.35 0.02 -0.03 -1.61 0.23 0.00 0.00 176.35 175.31 1qgx s GLU 235 N 1.18 0.42 0.97 1.70 2.02 -0.34 -1.19 118.70 123.47 1qgx s GLU 235 Ca 0.02 -0.83 -0.12 0.00 0.02 0.00 0.00 54.97 54.05 1qgx s GLU 235 Cb -0.14 0.14 0.17 0.00 0.10 0.00 0.00 34.13 34.40 1qgx s GLU 235 CO -0.08 -0.07 1.10 0.20 0.02 0.00 0.00 175.26 176.43 1qgx s GLY 236 N -1.99 1.57 -0.15 -1.39 0.00 -1.26 -1.50 107.32 102.60 1qgx s GLY 236 Ca -0.08 -0.39 -0.15 0.00 0.00 0.00 0.00 44.72 44.10 1qgx s GLY 236 CO -0.04 0.20 0.37 -2.08 0.00 0.00 0.00 173.10 171.55 1qgx h VAL 237 N -1.78 0.87 -2.45 1.40 2.07 -1.89 -3.41 116.25 111.06 1qgx h VAL 237 Ca -0.53 -2.30 -0.57 0.00 0.82 0.00 0.00 66.70 64.12 1qgx h VAL 237 Cb 1.33 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 1qgx h VAL 237 CO 0.59 0.62 1.28 -1.61 0.02 0.00 0.00 177.57 178.47 1qgx s GLU 238 N -2.46 3.57 0.33 1.57 0.41 -1.26 -4.89 118.70 115.97 1qgx s GLU 238 Ca -0.24 1.89 0.25 0.00 -0.41 0.00 0.00 54.97 56.46 1qgx s GLU 238 Cb 0.06 -4.19 1.15 0.00 -1.78 0.00 0.00 34.13 29.36 1qgx s GLU 238 CO 0.70 -1.59 1.76 0.87 -0.49 0.00 0.00 175.26 176.51 1qgx h LYS 239 N 12.41 0.00 -0.01 1.61 1.57 -1.90 -1.79 116.57 128.46 1qgx h LYS 239 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1qgx h LYS 239 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1qgx h LYS 239 CO 0.98 0.00 -0.09 0.41 -0.57 0.00 0.00 179.45 180.19 1qgx n GLY 240 N -0.40 -0.40 0.07 3.86 0.00 -1.26 -4.03 105.19 103.03 1qgx n GLY 240 Ca 0.01 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.76 1qgx n GLY 240 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qgx n HIS 241 N -0.32 0.56 -3.60 1.61 8.25 -0.67 -4.95 115.22 116.10 1qgx n HIS 241 Ca 0.17 0.16 -0.10 0.00 -0.26 0.00 0.00 57.72 57.69 1qgx n HIS 241 Cb 0.32 -0.67 -0.02 0.00 1.12 0.00 0.00 29.99 30.74 1qgx n HIS 241 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1qgx s SER 242 N -4.51 -0.44 -1.03 0.41 1.04 -1.25 -4.85 113.70 103.06 1qgx s SER 242 Ca 0.02 -0.25 -0.19 0.00 0.48 0.00 0.00 55.95 56.01 1qgx s SER 242 Cb 0.12 0.65 0.11 0.00 0.10 0.00 0.00 66.02 67.00 1qgx s SER 242 CO 0.78 -1.12 1.32 -0.55 0.98 0.00 0.00 173.24 174.66 1qgx s SER 243 N -2.82 6.67 0.38 7.02 0.15 0.45 -4.79 113.70 120.77 1qgx s SER 243 Ca 0.05 -2.04 0.05 0.00 0.70 0.00 0.00 55.95 54.71 1qgx s SER 243 Cb -0.03 -2.47 0.76 0.00 -1.71 0.00 0.00 66.02 62.58 1qgx s SER 243 CO -0.05 -1.16 2.04 0.45 1.20 0.00 0.00 173.24 175.71 1qgx h HIS 244 N 8.77 0.64 -0.11 3.44 -0.00 -1.89 -0.04 115.15 125.97 1qgx h HIS 244 Ca 0.22 0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.46 1qgx h HIS 244 Cb 0.98 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 28.17 1qgx h HIS 244 CO 1.22 0.40 -0.55 -0.44 -0.00 0.00 0.00 177.93 178.56 1qgx h ASP 245 N 0.69 0.36 0.98 2.45 3.32 -1.98 -0.22 116.42 122.02 1qgx h ASP 245 Ca 0.19 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 1qgx h ASP 245 Cb -0.06 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1qgx h ASP 245 CO -0.04 0.83 -0.70 -0.33 -1.72 0.00 0.00 179.24 177.28 1qgx h GLU 246 N 0.25 0.00 0.00 3.56 5.08 -1.88 -1.59 114.58 120.00 1qgx h GLU 246 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1qgx h GLU 246 Cb 1.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1qgx h GLU 246 CO 0.09 0.70 -0.42 1.96 -1.00 0.00 0.00 179.01 180.34 1qgx h GLN 247 N 0.00 0.00 -0.36 2.33 4.20 -0.63 -1.42 115.11 119.23 1qgx h GLN 247 Ca -0.01 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1qgx h GLN 247 Cb 1.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 1qgx h GLN 247 CO 0.09 0.42 -0.34 1.15 -0.67 0.00 0.00 178.83 179.48 1qgx h THR 248 N 0.00 1.28 -0.71 -0.54 2.02 -0.57 -0.96 112.91 113.43 1qgx h THR 248 Ca -0.00 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.67 1qgx h THR 248 Cb 0.78 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1qgx h THR 248 CO 0.05 0.50 0.42 0.00 0.37 0.00 0.00 175.52 176.86 1qgx h ALA 249 N 0.93 0.90 -0.12 6.16 0.00 -0.70 0.17 119.26 126.60 1qgx h ALA 249 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qgx h ALA 249 Cb 0.89 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1qgx h ALA 249 CO 0.08 0.38 0.07 0.82 0.00 0.00 0.00 179.25 180.60 1qgx h ILE 250 N 0.96 1.06 -0.45 0.00 2.04 -0.85 -1.46 117.51 118.81 1qgx h ILE 250 Ca 0.25 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 66.01 1qgx h ILE 250 Cb -0.03 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1qgx h ILE 250 CO -0.05 0.06 0.16 0.11 0.00 0.00 0.00 178.15 178.44 1qgx h LYS 251 N 0.12 0.33 -0.67 2.37 1.57 -0.66 -1.38 116.57 118.25 1qgx h LYS 251 Ca 0.04 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1qgx h LYS 251 Cb 0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1qgx h LYS 251 CO -0.01 0.22 0.44 -0.91 -0.57 0.00 0.00 179.45 178.62 1qgx h ASN 252 N 0.34 0.77 -0.72 0.86 -0.26 -0.39 -0.49 115.58 115.69 1qgx h ASN 252 Ca 0.21 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 1qgx h ASN 252 Cb 0.20 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 1qgx h ASN 252 CO -0.21 0.56 0.38 0.11 -1.06 0.00 0.00 177.43 177.22 1qgx h LYS 253 N 0.91 1.02 -0.11 0.81 1.57 -0.85 -2.14 116.57 117.78 1qgx h LYS 253 Ca 0.24 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1qgx h LYS 253 Cb -0.10 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.01 1qgx h LYS 253 CO -0.05 0.76 0.00 1.28 -0.57 0.00 0.00 179.45 180.87 1qgx n LEU 254 N -4.35 1.45 -2.50 2.94 4.32 -0.56 -4.94 117.00 113.37 1qgx n LEU 254 Ca 0.07 -0.57 -0.20 0.00 -0.02 0.00 0.00 56.01 55.29 1qgx n LEU 254 Cb 0.11 -0.07 0.01 0.00 -1.62 0.00 0.00 43.42 41.85 1qgx n LEU 254 CO 0.38 0.29 -0.13 0.59 -1.22 0.00 0.00 177.39 177.29 1qgx n ASN 255 N 0.16 -5.71 -4.69 -1.43 5.03 -0.38 -3.84 115.26 104.41 1qgx n ASN 255 Ca 0.17 -0.13 -0.40 0.00 0.87 0.00 0.00 54.58 55.09 1qgx n ASN 255 Cb 0.31 -4.64 -0.05 0.00 -1.02 0.00 0.00 39.78 34.37 1qgx n ASN 255 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1qgx s ILE 256 N -3.05 5.02 -0.53 2.41 1.01 -0.33 -4.20 121.20 121.52 1qgx s ILE 256 Ca 0.13 1.34 0.05 0.00 0.00 0.00 0.00 60.65 62.17 1qgx s ILE 256 Cb -0.06 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.43 1qgx s ILE 256 CO 0.16 0.16 0.56 -1.54 0.00 0.00 0.00 174.94 174.28 1qgx n SER 257 N 4.54 1.17 -4.40 3.58 3.41 -1.26 -4.53 113.62 116.13 1qgx n SER 257 Ca -0.01 -1.09 -0.33 0.00 -0.26 0.00 0.00 58.87 57.19 1qgx n SER 257 Cb 0.50 0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 64.51 1qgx n SER 257 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1qgx s LYS 258 N -0.61 2.91 -0.03 4.33 2.20 -1.26 -5.10 119.74 122.19 1qgx s LYS 258 Ca 0.05 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 54.83 1qgx s LYS 258 Cb 0.04 -2.46 0.02 0.00 -1.51 0.00 0.00 37.83 33.91 1qgx s LYS 258 CO 0.08 0.40 0.24 -1.54 -0.36 0.00 0.00 175.35 174.18 1qgx s SER 259 N -0.15 -0.14 -0.14 1.43 1.04 -1.26 -1.77 113.70 112.71 1qgx s SER 259 Ca -0.01 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.53 1qgx s SER 259 Cb -0.14 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1qgx s SER 259 CO 0.03 -0.34 -0.19 -0.76 0.98 0.00 0.00 173.24 172.97 1qgx s LEU 260 N -1.00 2.31 -0.16 2.42 1.43 0.17 -4.92 118.68 118.93 1qgx s LEU 260 Ca -0.11 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 1qgx s LEU 260 Cb -0.05 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1qgx s LEU 260 CO 0.02 0.10 -0.05 -1.00 0.23 0.00 0.00 176.35 175.65 1qgx s HIS 261 N 0.72 2.97 0.04 0.29 3.76 -1.26 -1.20 115.29 120.63 1qgx s HIS 261 Ca -0.08 -0.45 -0.27 0.00 -0.15 0.00 0.00 55.06 54.11 1qgx s HIS 261 Cb -0.16 -1.96 0.08 0.00 1.11 0.00 0.00 32.58 31.65 1qgx s HIS 261 CO 0.01 -0.14 0.69 -0.48 -0.85 0.00 0.00 174.74 173.96 1qgx s LEU 262 N 0.54 -0.57 0.46 0.89 2.34 -0.56 -4.84 118.68 116.94 1qgx s LEU 262 Ca -0.04 0.29 -0.09 0.00 0.06 0.00 0.00 54.13 54.35 1qgx s LEU 262 Cb -0.15 2.47 -0.05 0.00 -0.56 0.00 0.00 46.19 47.90 1qgx s LEU 262 CO 0.03 -0.76 0.82 -1.81 -1.06 0.00 0.00 176.35 173.57 1qgx s ASP 263 N -2.03 6.40 0.05 1.48 1.11 -1.26 -4.06 116.67 118.36 1qgx s ASP 263 Ca -0.03 1.12 0.00 0.00 0.18 0.00 0.00 52.55 53.82 1qgx s ASP 263 Cb -0.01 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 41.66 1qgx s ASP 263 CO -0.03 -0.53 0.00 -1.54 1.18 0.00 0.00 175.17 174.25 1qgx n SER 264 N -1.83 -1.25 0.00 0.27 3.41 -1.26 -4.31 113.62 108.64 1qgx n SER 264 Ca 0.02 0.08 0.05 0.00 -0.26 0.00 0.00 58.87 58.77 1qgx n SER 264 Cb 0.54 -0.64 0.30 0.00 -0.26 0.00 0.00 64.21 64.15 1qgx n SER 264 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qgx n GLN 265 N -1.48 0.73 -0.13 4.33 6.02 -1.26 -1.86 117.38 123.74 1qgx n GLN 265 Ca 0.00 0.00 0.21 0.00 -0.01 0.00 0.00 57.00 57.21 1qgx n GLN 265 Cb 0.10 -1.22 0.63 0.00 1.02 0.00 0.00 30.24 30.77 1qgx n GLN 265 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qgx h ALA 266 N 2.89 2.47 -0.27 -1.58 0.00 -1.88 -1.29 119.26 119.61 1qgx h ALA 266 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1qgx h ALA 266 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1qgx h ALA 266 CO 0.00 -0.69 0.02 0.87 0.00 0.00 0.00 179.25 179.45 1qgx h LYS 267 N 0.15 0.11 -1.01 0.00 1.57 -1.62 -1.36 116.57 114.41 1qgx h LYS 267 Ca 0.36 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.17 1qgx h LYS 267 Cb 1.21 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 1qgx h LYS 267 CO -0.06 0.07 0.66 1.88 -0.57 0.00 0.00 179.45 181.43 1qgx h TYR 268 N 0.11 1.24 -0.79 -1.35 0.05 -1.49 -1.92 116.97 112.82 1qgx h TYR 268 Ca 0.13 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 1qgx h TYR 268 Cb 0.16 -0.41 -0.04 0.00 1.01 0.00 0.00 36.73 37.45 1qgx h TYR 268 CO -0.19 0.71 0.47 0.00 -1.05 0.00 0.00 178.16 178.10 1qgx h LEU 270 N 1.08 0.22 -0.23 0.00 3.38 -1.08 -0.94 115.31 117.74 1qgx h LEU 270 Ca 0.28 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1qgx h LEU 270 Cb -0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1qgx h LEU 270 CO -0.05 0.55 -0.15 0.25 0.09 0.00 0.00 178.44 179.13 1qgx h LEU 271 N 0.19 0.53 -1.62 1.67 5.85 -1.02 -1.68 115.31 119.23 1qgx h LEU 271 Ca 0.02 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 1qgx h LEU 271 Cb 0.70 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1qgx h LEU 271 CO 0.05 0.85 -0.21 0.00 -0.34 0.00 0.00 178.44 178.79 1qgx h ALA 272 N 0.70 1.38 0.00 1.25 0.00 -0.85 -1.63 119.26 120.10 1qgx h ALA 272 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qgx h ALA 272 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1qgx h ALA 272 CO 0.04 0.26 0.00 -0.07 0.00 0.00 0.00 179.25 179.48 1qgx h LEU 273 N 0.00 0.00 -0.06 0.00 3.38 -1.04 -2.61 115.31 114.98 1qgx h LEU 273 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qgx h LEU 273 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1qgx h LEU 273 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1qgx n GLY 274 N 0.65 1.08 0.17 0.83 0.00 -0.61 -4.59 105.19 102.72 1qgx n GLY 274 Ca 0.03 -0.48 0.09 0.00 0.00 0.00 0.00 46.02 45.65 1qgx n GLY 274 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qgx n LEU 275 N -0.03 1.22 -3.96 0.99 4.77 -0.67 -4.58 117.00 114.75 1qgx n LEU 275 Ca 0.00 -0.60 -0.09 0.00 -0.03 0.00 0.00 56.01 55.29 1qgx n LEU 275 Cb 0.28 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1qgx n LEU 275 CO 0.00 0.26 0.27 0.00 -1.33 0.00 0.00 177.39 176.59 1qgx s ALA 276 N -2.47 -0.52 -0.05 -1.18 0.00 -1.24 -4.96 121.76 111.33 1qgx s ALA 276 Ca 0.10 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1qgx s ALA 276 Cb 0.14 1.00 -0.05 0.00 0.00 0.00 0.00 23.12 24.22 1qgx s ALA 276 CO 0.63 -0.91 -0.02 -0.25 0.00 0.00 0.00 175.76 175.21 1qgx n ASP 277 N -0.43 3.69 -3.81 0.00 8.00 -0.24 -4.68 116.55 119.10 1qgx n ASP 277 Ca -0.02 -0.02 -0.22 0.00 0.71 0.00 0.00 54.79 55.24 1qgx n ASP 277 Cb 0.61 0.23 -0.17 0.00 -0.02 0.00 0.00 41.12 41.77 1qgx n ASP 277 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qgx s VAL 278 N -2.11 0.40 -0.25 2.53 1.01 -1.04 -1.49 120.40 119.45 1qgx s VAL 278 Ca -0.05 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 1qgx s VAL 278 Cb 0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1qgx s VAL 278 CO 0.16 0.24 0.34 -0.47 0.00 0.00 0.00 175.10 175.37 1qgx s TYR 279 N 1.61 3.29 -0.11 5.22 6.14 0.94 0.12 117.35 134.56 1qgx s TYR 279 Ca -0.01 0.42 0.00 0.00 0.64 0.00 0.00 57.07 58.13 1qgx s TYR 279 Cb -0.13 -2.50 -0.02 0.00 0.42 0.00 0.00 41.96 39.73 1qgx s TYR 279 CO -0.04 -0.12 -0.11 -0.51 0.64 0.00 0.00 175.55 175.42 1qgx s LEU 280 N 1.68 2.87 -0.44 6.97 1.43 -0.33 -1.80 118.68 129.05 1qgx s LEU 280 Ca 0.14 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 1qgx s LEU 280 Cb -0.15 -1.64 0.19 0.00 0.03 0.00 0.00 46.19 44.62 1qgx s LEU 280 CO 0.09 0.22 0.52 -1.14 0.23 0.00 0.00 176.35 176.26 1qgx n ARG 281 N 3.14 0.40 -3.02 1.70 0.63 -0.55 -4.61 116.66 114.36 1qgx n ARG 281 Ca -0.18 -2.76 -0.35 0.00 -0.92 0.00 0.00 57.85 53.64 1qgx n ARG 281 Cb 0.53 -1.53 -0.06 0.00 0.45 0.00 0.00 32.46 31.84 1qgx n ARG 281 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1qgx s LEU 282 N 0.03 4.22 0.16 6.15 1.02 -1.26 -1.14 118.68 127.86 1qgx s LEU 282 Ca 0.32 1.49 -0.28 0.00 0.02 0.00 0.00 54.13 55.68 1qgx s LEU 282 Cb 0.06 -3.91 -0.08 0.00 0.02 0.00 0.00 46.19 42.29 1qgx s LEU 282 CO -0.15 -0.10 0.87 -2.16 0.02 0.00 0.00 176.35 174.83 1qgx s PRO 283 N -2.40 4.68 -0.04 1.29 0.04 -1.26 -0.41 135.00 136.90 1qgx s PRO 283 Ca 0.49 1.32 -0.24 0.00 0.04 0.00 0.00 61.00 62.61 1qgx s PRO 283 Cb -0.14 -3.31 -0.22 0.00 0.04 0.00 0.00 34.50 30.87 1qgx s PRO 283 CO 0.20 0.44 1.09 0.82 0.04 0.00 0.00 177.00 179.59 1qgx h ILE 284 N 3.52 1.51 -3.34 0.56 2.04 -1.89 -3.43 117.51 116.49 1qgx h ILE 284 Ca -0.45 -1.77 -0.65 0.00 1.00 0.00 0.00 64.86 62.99 1qgx h ILE 284 Cb 1.20 2.59 -0.25 0.00 -0.74 0.00 0.00 36.82 39.63 1qgx h ILE 284 CO 0.69 0.48 -0.71 -0.54 0.00 0.00 0.00 178.15 178.07 1qgx s LYS 285 N -3.40 3.51 0.00 2.37 1.02 -1.26 -5.01 119.74 116.97 1qgx s LYS 285 Ca -0.16 -0.60 0.19 0.00 0.02 0.00 0.00 55.97 55.42 1qgx s LYS 285 Cb 0.01 -2.84 0.97 0.00 -0.52 0.00 0.00 37.83 35.45 1qgx s LYS 285 CO 0.73 0.13 1.59 1.28 -0.92 0.00 0.00 175.35 178.16 1qgx n LEU 286 N 3.82 0.00 0.19 3.17 4.77 -1.26 -2.58 117.00 125.11 1qgx n LEU 286 Ca -0.18 0.28 0.12 0.00 -0.03 0.00 0.00 56.01 56.20 1qgx n LEU 286 Cb 0.52 -0.28 0.20 0.00 -2.33 0.00 0.00 43.42 41.53 1qgx n LEU 286 CO 0.31 -0.10 0.75 0.77 -1.33 0.00 0.00 177.39 177.79 1qgx h SER 287 N 0.00 0.00 -3.45 -1.43 4.64 -1.99 -3.46 113.55 107.86 1qgx h SER 287 Ca 0.00 -0.01 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 1qgx h SER 287 Cb 0.18 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.32 1qgx h SER 287 CO 0.00 0.00 0.72 -0.47 -0.87 0.00 0.00 176.83 176.21 1qgx s TYR 288 N -3.20 3.08 -0.24 4.77 5.04 -1.06 -5.01 117.35 120.73 1qgx s TYR 288 Ca 0.07 1.12 -0.02 0.00 -2.44 0.00 0.00 57.07 55.80 1qgx s TYR 288 Cb 0.07 -3.75 0.01 0.00 0.35 0.00 0.00 41.96 38.65 1qgx s TYR 288 CO 0.67 -2.37 -0.06 -0.65 -1.34 0.00 0.00 175.55 171.80 1qgx s GLN 289 N -0.50 3.01 0.40 4.97 -0.21 -1.26 -4.85 119.66 121.22 1qgx s GLN 289 Ca 0.57 -0.86 -0.27 0.00 0.02 0.00 0.00 55.36 54.82 1qgx s GLN 289 Cb -0.40 -2.98 -0.10 0.00 1.00 0.00 0.00 33.01 30.53 1qgx s GLN 289 CO 0.43 -0.33 1.41 -1.21 -2.12 0.00 0.00 175.29 173.47 1qgx s GLU 290 N 1.38 3.98 0.31 2.91 0.41 -1.25 -4.68 118.70 121.75 1qgx s GLU 290 Ca 0.02 2.39 -0.27 0.00 -0.41 0.00 0.00 54.97 56.70 1qgx s GLU 290 Cb -0.16 -2.84 -0.09 0.00 -1.78 0.00 0.00 34.13 29.26 1qgx s GLU 290 CO -0.04 -0.56 1.00 0.15 -0.49 0.00 0.00 175.26 175.32 1qgx s LYS 291 N -2.19 4.58 0.36 1.61 -0.14 -1.26 -0.15 119.74 122.55 1qgx s LYS 291 Ca 0.56 1.53 0.06 0.00 -1.36 0.00 0.00 55.97 56.75 1qgx s LYS 291 Cb -0.43 -2.97 0.67 0.00 -1.68 0.00 0.00 37.83 33.43 1qgx s LYS 291 CO 0.57 0.24 1.90 -0.84 -0.76 0.00 0.00 175.35 176.46 1qgx h ILE 292 N 2.78 1.18 0.00 2.17 3.07 -1.38 -0.99 117.51 124.34 1qgx h ILE 292 Ca -0.47 -0.72 0.00 0.00 1.55 0.00 0.00 64.86 65.23 1qgx h ILE 292 Cb 1.20 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1qgx h ILE 292 CO 0.66 0.24 0.00 -2.67 -1.05 0.00 0.00 178.15 175.33 1qgx n TRP 293 N -4.30 0.00 1.23 0.16 2.14 -1.26 -0.78 117.44 114.63 1qgx n TRP 293 Ca 0.01 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.71 1qgx n TRP 293 Cb 0.23 -0.44 0.37 0.00 -0.81 0.00 0.00 31.31 30.67 1qgx n TRP 293 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1qgx n ASP 294 N -1.44 0.98 0.00 -0.67 8.00 -0.38 -4.52 116.55 118.54 1qgx n ASP 294 Ca 0.04 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1qgx n ASP 294 Cb 0.13 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1qgx n ASP 294 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1qgx n HIS 295 N -0.71 0.00 -0.09 1.24 8.25 -0.70 -4.81 115.22 118.41 1qgx n HIS 295 Ca 0.12 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.47 1qgx n HIS 295 Cb 0.35 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.42 1qgx n HIS 295 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qgx h ALA 296 N 0.00 0.34 -0.78 -1.41 0.00 -1.19 -1.31 119.26 114.92 1qgx h ALA 296 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1qgx h ALA 296 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1qgx h ALA 296 CO 0.00 0.03 0.37 0.00 0.00 0.00 0.00 179.25 179.65 1qgx h ALA 297 N 0.85 1.17 0.00 0.00 0.00 -1.84 -2.31 119.26 117.13 1qgx h ALA 297 Ca 0.08 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1qgx h ALA 297 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1qgx h ALA 297 CO 0.01 0.63 -0.45 0.78 0.00 0.00 0.00 179.25 180.21 1qgx h GLY 298 N 1.15 0.00 0.79 0.00 0.00 -1.86 -2.94 103.07 100.21 1qgx h GLY 298 Ca 0.27 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.62 1qgx h GLY 298 CO -0.03 0.00 -0.03 -0.57 0.00 0.00 0.00 176.54 175.90 1qgx h ASN 299 N 0.00 -0.12 0.16 0.19 -0.73 -0.65 0.15 115.58 114.57 1qgx h ASN 299 Ca -0.00 0.03 -0.20 0.00 1.87 0.00 0.00 56.30 57.99 1qgx h ASN 299 Cb 0.99 0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.65 1qgx h ASN 299 CO 0.06 -0.05 -0.79 1.62 -0.37 0.00 0.00 177.43 177.90 1qgx h VAL 300 N -0.02 1.35 -0.19 2.57 3.04 -1.52 -1.39 116.25 120.08 1qgx h VAL 300 Ca 0.05 -2.15 0.02 0.00 -1.01 0.00 0.00 66.70 63.60 1qgx h VAL 300 Cb 0.09 2.14 -0.02 0.00 -2.01 0.00 0.00 31.29 31.49 1qgx h VAL 300 CO -0.10 0.66 0.08 0.40 -1.01 0.00 0.00 177.57 177.59 1qgx h ILE 301 N 0.34 0.97 -0.46 3.17 2.04 -1.32 0.37 117.51 122.63 1qgx h ILE 301 Ca -0.05 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1qgx h ILE 301 Cb 1.39 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1qgx h ILE 301 CO 0.14 0.03 0.15 0.58 0.00 0.00 0.00 178.15 179.06 1qgx h VAL 302 N 0.18 1.22 -0.24 1.67 2.07 -0.69 -1.46 116.25 119.01 1qgx h VAL 302 Ca 0.08 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1qgx h VAL 302 Cb 0.04 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1qgx h VAL 302 CO -0.07 0.26 0.04 -0.74 0.02 0.00 0.00 177.57 177.09 1qgx h HIS 303 N 0.60 0.07 0.00 1.57 -0.00 -1.09 -0.56 115.15 115.75 1qgx h HIS 303 Ca 0.15 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1qgx h HIS 303 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 1qgx h HIS 303 CO 0.01 0.02 0.00 0.93 -0.00 0.00 0.00 177.93 178.89 1qgx h GLU 304 N 0.13 0.00 -0.01 5.26 4.39 -0.71 -1.14 114.58 122.50 1qgx h GLU 304 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1qgx h GLU 304 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1qgx h GLU 304 CO -0.15 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.65 1qgx n ALA 305 N -2.03 2.70 -0.22 3.43 0.00 -0.57 -3.86 120.51 119.96 1qgx n ALA 305 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1qgx n ALA 305 Cb 0.28 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1qgx n ALA 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qgx n GLY 306 N 1.18 0.88 2.81 0.00 0.00 -0.43 -0.20 105.19 109.42 1qgx n GLY 306 Ca 0.18 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 1qgx n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qgx n GLY 307 N -2.22 1.29 3.22 -0.02 0.00 -0.28 -4.70 105.19 102.49 1qgx n GLY 307 Ca 0.00 -2.10 -0.24 0.00 0.00 0.00 0.00 46.02 43.68 1qgx n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qgx s ILE 308 N -1.89 1.53 -0.09 -0.61 1.01 -0.15 -4.41 121.20 116.59 1qgx s ILE 308 Ca 0.46 -1.13 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 1qgx s ILE 308 Cb -0.03 -1.34 0.05 0.00 0.01 0.00 0.00 42.46 41.15 1qgx s ILE 308 CO 0.30 0.17 0.16 -2.28 0.00 0.00 0.00 174.94 173.29 1qgx s HIS 309 N -0.80 -0.18 0.21 3.97 2.46 -1.26 -1.31 115.29 118.39 1qgx s HIS 309 Ca 0.06 0.58 0.02 0.00 0.47 0.00 0.00 55.06 56.19 1qgx s HIS 309 Cb -0.08 -0.27 -0.01 0.00 -0.13 0.00 0.00 32.58 32.09 1qgx s HIS 309 CO 0.02 -0.29 0.24 0.25 -2.47 0.00 0.00 174.74 172.49 1qgx n THR 310 N 5.32 0.00 -0.82 0.89 -2.24 -0.25 -4.12 114.28 113.07 1qgx n THR 310 Ca -0.05 -1.34 -0.05 0.00 -2.27 0.00 0.00 64.05 60.35 1qgx n THR 310 Cb 0.50 0.73 0.04 0.00 -2.10 0.00 0.00 70.33 69.50 1qgx n THR 310 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1qgx n ASP 311 N -2.00 -0.69 -0.59 3.42 5.75 -0.81 -1.30 116.55 120.33 1qgx n ASP 311 Ca 0.03 -0.80 0.08 0.00 -0.01 0.00 0.00 54.79 54.08 1qgx n ASP 311 Cb 0.38 -0.17 0.05 0.00 -1.03 0.00 0.00 41.12 40.35 1qgx n ASP 311 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qgx n ALA 312 N -3.24 2.61 0.02 2.12 0.00 -0.75 -3.34 120.51 117.93 1qgx n ALA 312 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1qgx n ALA 312 Cb 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1qgx n ALA 312 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1qgx n MET 313 N 0.70 0.00 0.14 0.00 2.81 -1.25 -3.89 117.12 115.63 1qgx n MET 313 Ca 0.09 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.05 1qgx n MET 313 Cb 0.39 -0.31 0.05 0.00 -0.71 0.00 0.00 33.22 32.64 1qgx n MET 313 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1qgx h GLU 314 N 0.00 0.00 -3.62 0.03 5.08 -1.89 -3.41 114.58 110.77 1qgx h GLU 314 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1qgx h GLU 314 Cb 0.46 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.79 1qgx h GLU 314 CO 0.00 0.22 -0.36 -3.47 -1.00 0.00 0.00 179.01 174.40 1qgx n ASP 315 N -3.04 -3.44 -4.53 1.42 2.03 -1.26 -5.06 116.55 102.67 1qgx n ASP 315 Ca 0.01 -0.29 -0.28 0.00 0.52 0.00 0.00 54.79 54.74 1qgx n ASP 315 Cb 0.65 -2.84 -0.10 0.00 -0.72 0.00 0.00 41.12 38.12 1qgx n ASP 315 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1qgx s VAL 316 N -3.17 3.05 0.76 5.18 0.11 -1.26 -4.92 120.40 120.15 1qgx s VAL 316 Ca 0.19 -1.57 -0.15 0.00 -2.93 0.00 0.00 61.98 57.52 1qgx s VAL 316 Cb -0.08 -2.46 0.06 0.00 -1.53 0.00 0.00 36.38 32.36 1qgx s VAL 316 CO 0.37 -0.01 1.22 -2.65 -3.33 0.00 0.00 175.10 170.70 1qgx n PRO 317 N 0.40 0.44 -2.58 1.54 -0.02 -1.26 -1.93 135.00 131.59 1qgx n PRO 317 Ca -0.13 0.22 -0.40 0.00 -2.02 0.00 0.00 63.50 61.17 1qgx n PRO 317 Cb 0.54 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 1qgx n PRO 317 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qgx s LEU 318 N -5.21 4.58 -0.37 2.45 1.43 -1.26 -4.75 118.68 115.54 1qgx s LEU 318 Ca 0.76 2.14 -0.07 0.00 -1.03 0.00 0.00 54.13 55.93 1qgx s LEU 318 Cb -0.32 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.34 1qgx s LEU 318 CO 0.48 -0.04 0.17 -0.62 0.23 0.00 0.00 176.35 176.57 1qgx s ASP 319 N -0.94 5.43 -0.09 2.29 2.15 -1.26 -4.96 116.67 119.28 1qgx s ASP 319 Ca 0.43 -1.37 0.05 0.00 0.43 0.00 0.00 52.55 52.09 1qgx s ASP 319 Cb -0.30 -1.91 0.29 0.00 -0.30 0.00 0.00 42.92 40.70 1qgx s ASP 319 CO 0.37 -0.43 0.95 0.49 -0.17 0.00 0.00 175.17 176.39 1qgx n PHE 320 N 4.83 0.75 -0.58 -5.34 3.72 -1.20 -3.77 117.46 115.87 1qgx n PHE 320 Ca -0.10 -0.28 0.07 0.00 -0.05 0.00 0.00 57.45 57.08 1qgx n PHE 320 Cb 0.44 -0.26 0.18 0.00 -0.94 0.00 0.00 39.48 38.90 1qgx n PHE 320 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qgx n GLY 321 N 0.21 3.52 1.16 1.37 0.00 -1.21 -4.62 105.19 105.62 1qgx n GLY 321 Ca 0.10 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.53 1qgx n GLY 321 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qgx n ASN 322 N -0.20 3.38 0.00 1.61 2.85 -1.25 -2.25 115.26 119.40 1qgx n ASN 322 Ca 0.15 -2.12 0.00 0.00 -0.11 0.00 0.00 54.58 52.49 1qgx n ASN 322 Cb 0.62 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 41.20 1qgx n ASN 322 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qgx n GLY 323 N 1.27 0.40 0.13 8.20 0.00 -1.26 -4.55 105.19 109.37 1qgx n GLY 323 Ca 0.20 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.53 1qgx n GLY 323 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qgx h ARG 324 N 0.00 0.00 -5.46 1.61 3.08 -1.90 -3.40 114.38 108.30 1qgx h ARG 324 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1qgx h ARG 324 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.91 1qgx h ARG 324 CO 0.00 0.00 -0.67 0.95 -1.07 0.00 0.00 179.97 179.18 1qgx s THR 325 N -3.16 1.57 -0.17 2.04 -4.23 -1.26 -0.99 115.64 109.43 1qgx s THR 325 Ca 0.09 -2.11 -0.11 0.00 -1.18 0.00 0.00 61.69 58.38 1qgx s THR 325 Cb 0.11 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 1qgx s THR 325 CO 0.58 -0.28 0.20 -0.76 -0.54 0.00 0.00 174.62 173.81 1qgx s LEU 326 N -3.44 4.25 0.31 4.79 1.43 0.79 -4.50 118.68 122.31 1qgx s LEU 326 Ca 0.30 0.37 0.25 0.00 -1.03 0.00 0.00 54.13 54.02 1qgx s LEU 326 Cb 0.04 -2.20 0.58 0.00 0.03 0.00 0.00 46.19 44.64 1qgx s LEU 326 CO 0.12 0.18 1.68 0.00 0.23 0.00 0.00 176.35 178.56 1qgx h ALA 327 N 6.45 0.98 -2.34 4.21 0.00 -1.89 -3.32 119.26 123.34 1qgx h ALA 327 Ca -0.43 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.03 1qgx h ALA 327 Cb 1.16 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.10 1qgx h ALA 327 CO 0.74 0.00 0.30 0.95 0.00 0.00 0.00 179.25 181.23 1qgx s THR 328 N -3.15 1.94 -0.23 0.00 -4.23 -1.26 -5.05 115.64 103.65 1qgx s THR 328 Ca 0.09 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.55 1qgx s THR 328 Cb 0.09 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 1qgx s THR 328 CO 0.64 0.00 -0.01 -0.54 -0.54 0.00 0.00 174.62 174.16 1qgx s LYS 329 N -5.41 3.43 0.10 3.99 -0.14 -1.26 -4.71 119.74 115.74 1qgx s LYS 329 Ca 0.67 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.68 1qgx s LYS 329 Cb -0.12 -3.10 0.00 0.00 -1.68 0.00 0.00 37.83 32.93 1qgx s LYS 329 CO 0.54 -0.20 0.00 0.41 -0.76 0.00 0.00 175.35 175.33 1qgx n GLY 330 N 4.83 -2.00 2.92 -3.33 0.00 -1.26 -1.81 105.19 104.54 1qgx n GLY 330 Ca -0.18 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 1qgx n GLY 330 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qgx s VAL 331 N -2.13 -0.02 -0.03 1.61 1.01 -0.29 -3.12 120.40 117.43 1qgx s VAL 331 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1qgx s VAL 331 Cb 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.27 1qgx s VAL 331 CO 0.00 0.02 -0.03 -0.63 0.00 0.00 0.00 175.10 174.46 1qgx s ILE 332 N 0.37 0.40 0.11 2.22 1.01 -0.42 -1.49 121.20 123.41 1qgx s ILE 332 Ca -0.03 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.60 1qgx s ILE 332 Cb -0.04 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 1qgx s ILE 332 CO -0.01 0.18 -0.14 0.00 0.00 0.00 0.00 174.94 174.97 1qgx s ALA 333 N 0.73 1.43 0.35 9.38 0.00 -0.75 -1.09 121.76 131.81 1qgx s ALA 333 Ca -0.09 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.52 1qgx s ALA 333 Cb -0.12 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1qgx s ALA 333 CO -0.00 0.10 0.63 -1.54 0.00 0.00 0.00 175.76 174.95 1qgx s SER 334 N -2.35 0.36 0.00 0.00 1.04 -0.43 -0.04 113.70 112.28 1qgx s SER 334 Ca 0.07 -1.24 0.24 0.00 0.48 0.00 0.00 55.95 55.50 1qgx s SER 334 Cb -0.05 0.75 1.10 0.00 0.10 0.00 0.00 66.02 67.91 1qgx s SER 334 CO 0.03 -1.47 1.78 -1.54 0.98 0.00 0.00 173.24 173.02 1qgx n SER 335 N -1.27 0.00 -0.50 7.02 3.41 -0.55 -0.97 113.62 120.75 1qgx n SER 335 Ca -0.04 0.28 0.02 0.00 -0.26 0.00 0.00 58.87 58.88 1qgx n SER 335 Cb 0.61 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 1qgx n SER 335 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qgx n GLY 336 N 0.88 -1.72 0.74 5.00 0.00 -1.26 -4.57 105.19 104.25 1qgx n GLY 336 Ca 0.08 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 1qgx n GLY 336 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qgx n PRO 337 N -1.30 -1.31 -0.28 1.61 -0.04 -1.26 -4.80 135.00 127.61 1qgx n PRO 337 Ca 0.00 -0.37 0.04 0.00 -0.04 0.00 0.00 63.50 63.13 1qgx n PRO 337 Cb 0.08 -0.33 0.18 0.00 -0.04 0.00 0.00 33.50 33.38 1qgx n PRO 337 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1qgx h ARG 338 N 0.00 0.64 -0.79 0.54 2.43 -1.99 -1.19 114.38 114.02 1qgx h ARG 338 Ca -0.09 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1qgx h ARG 338 Cb 0.26 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1qgx h ARG 338 CO 0.06 0.42 0.47 0.93 -1.51 0.00 0.00 179.97 180.34 1qgx h GLU 339 N 0.66 1.08 0.17 0.20 3.07 -1.99 0.98 114.58 118.76 1qgx h GLU 339 Ca 0.40 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 59.15 1qgx h GLU 339 Cb 0.47 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1qgx h GLU 339 CO -0.30 0.77 -0.08 1.25 -1.40 0.00 0.00 179.01 179.25 1qgx h LEU 340 N 1.09 -0.19 -0.51 1.33 7.12 -1.58 -1.96 115.31 120.60 1qgx h LEU 340 Ca 0.28 -0.19 0.08 0.00 0.13 0.00 0.00 57.88 58.18 1qgx h LEU 340 Cb -0.03 0.05 -0.07 0.00 -0.53 0.00 0.00 40.66 40.08 1qgx h LEU 340 CO -0.05 0.09 0.14 -0.74 -0.13 0.00 0.00 178.44 177.75 1qgx h HIS 341 N -0.48 0.24 -0.14 1.25 2.76 -0.94 -0.68 115.15 117.15 1qgx h HIS 341 Ca -0.02 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 1qgx h HIS 341 Cb 0.37 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1qgx h HIS 341 CO 0.01 0.04 -0.37 -0.44 -1.30 0.00 0.00 177.93 175.87 1qgx h ASP 342 N 0.29 0.32 -0.24 3.26 3.32 -0.84 -0.01 116.42 122.52 1qgx h ASP 342 Ca 0.26 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1qgx h ASP 342 Cb 0.32 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1qgx h ASP 342 CO -0.30 0.66 0.11 0.25 -1.72 0.00 0.00 179.24 178.24 1qgx h LEU 343 N 0.26 0.32 0.03 1.55 5.85 -0.51 -1.03 115.31 121.79 1qgx h LEU 343 Ca 0.03 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1qgx h LEU 343 Cb 0.77 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1qgx h LEU 343 CO 0.06 0.38 -0.02 0.58 -0.34 0.00 0.00 178.44 179.10 1qgx h VAL 344 N 0.25 1.06 -0.44 1.05 2.07 -0.63 -1.61 116.25 118.01 1qgx h VAL 344 Ca 0.08 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1qgx h VAL 344 Cb 0.14 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1qgx h VAL 344 CO -0.01 0.08 -0.05 0.58 0.02 0.00 0.00 177.57 178.19 1qgx h VAL 345 N -0.18 1.24 0.00 2.57 2.07 -1.00 -0.48 116.25 120.48 1qgx h VAL 345 Ca -0.00 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 1qgx h VAL 345 Cb 0.16 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1qgx h VAL 345 CO 0.01 0.36 -0.46 0.77 0.02 0.00 0.00 177.57 178.27 1qgx h SER 346 N 0.69 0.00 -0.31 0.57 4.64 -1.14 -0.38 113.55 117.62 1qgx h SER 346 Ca 0.13 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 1qgx h SER 346 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1qgx h SER 346 CO 0.03 0.46 -0.44 0.74 -0.87 0.00 0.00 176.83 176.75 1qgx h THR 347 N 0.00 1.28 -0.69 2.95 2.02 -0.90 -1.47 112.91 116.10 1qgx h THR 347 Ca -0.00 -1.62 -0.00 0.00 0.77 0.00 0.00 66.41 65.55 1qgx h THR 347 Cb 0.90 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 1qgx h THR 347 CO 0.06 0.53 0.42 -1.28 0.37 0.00 0.00 175.52 175.62 1qgx h SER 348 N 0.63 0.83 -0.73 4.18 0.87 -0.34 -0.05 113.55 118.95 1qgx h SER 348 Ca 0.03 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1qgx h SER 348 Cb 1.04 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 1qgx h SER 348 CO 0.10 0.64 0.31 0.00 -0.53 0.00 0.00 176.83 177.35 1qgx h ASP 350 N 1.04 0.80 -0.19 0.00 3.58 -0.90 -0.36 116.42 120.39 1qgx h ASP 350 Ca 0.24 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 1qgx h ASP 350 Cb 0.19 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1qgx h ASP 350 CO -0.02 0.94 0.07 0.58 -2.88 0.00 0.00 179.24 177.93 1qgx h VAL 351 N 0.64 1.17 -0.84 2.25 2.07 -0.65 -0.99 116.25 119.90 1qgx h VAL 351 Ca 0.12 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1qgx h VAL 351 Cb 0.56 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1qgx h VAL 351 CO 0.03 0.17 0.47 0.40 0.02 0.00 0.00 177.57 178.66 1qgx h ILE 352 N 0.14 1.24 0.00 4.57 2.04 -0.87 -2.34 117.51 122.30 1qgx h ILE 352 Ca 0.06 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 1qgx h ILE 352 Cb 0.20 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1qgx h ILE 352 CO -0.00 0.27 -0.24 1.56 0.00 0.00 0.00 178.15 179.73 1qgx h GLN 353 N 1.16 0.00 0.00 2.37 1.08 -0.82 -2.53 115.11 116.37 1qgx h GLN 353 Ca 0.30 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1qgx h GLN 353 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1qgx h GLN 353 CO -0.05 0.24 0.00 -1.13 -0.95 0.00 0.00 178.83 176.94 1qgx n SER 354 N -3.63 0.00 0.00 1.46 3.41 -0.40 -5.09 113.62 109.37 1qgx n SER 354 Ca -0.01 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1qgx n SER 354 Cb 0.37 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1qgx n SER 354 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42