#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qls n HIS 2 N 0.00 0.00 -0.55 6.34 -0.00 -1.26 -5.06 115.22 114.69 2qls n HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2qls n HIS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2qls n HIS 2 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2qls n LEU 3 N 0.00 -0.74 -4.84 2.41 4.32 -1.26 -5.04 117.00 111.86 2qls n LEU 3 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.67 2qls n LEU 3 Cb 0.00 -0.37 -0.02 0.00 -1.62 0.00 0.00 43.42 41.41 2qls n LEU 3 CO 0.00 0.00 0.69 0.42 -1.22 0.00 0.00 177.39 177.28 2qls s THR 4 N -0.10 4.40 0.12 -5.08 -4.23 -1.26 -4.54 115.64 104.94 2qls s THR 4 Ca 0.00 1.12 0.06 0.00 -1.18 0.00 0.00 61.69 61.69 2qls s THR 4 Cb 0.00 -3.66 0.11 0.00 1.34 0.00 0.00 72.50 70.29 2qls s THR 4 CO 0.00 -0.69 0.51 0.00 -0.54 0.00 0.00 174.62 173.90 2qls n ALA 5 N -1.76 0.32 0.32 3.99 0.00 -1.26 -0.54 120.51 121.58 2qls n ALA 5 Ca 0.07 0.33 -0.14 0.00 0.00 0.00 0.00 53.44 53.70 2qls n ALA 5 Cb 0.54 -0.32 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 2qls n ALA 5 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2qls h GLU 6 N 0.00 -0.81 -0.97 0.00 4.57 -2.00 -2.75 114.58 112.61 2qls h GLU 6 Ca 0.27 0.06 0.31 0.00 -1.18 0.00 0.00 59.36 58.82 2qls h GLU 6 Cb 0.70 0.18 -0.16 0.00 -0.16 0.00 0.00 28.75 29.32 2qls h GLU 6 CO -0.25 -0.51 0.44 0.93 -1.18 0.00 0.00 179.01 178.43 2qls h GLU 7 N -1.15 0.20 -0.21 1.92 5.08 -1.47 0.37 114.58 119.32 2qls h GLU 7 Ca -0.09 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 2qls h GLU 7 Cb 0.68 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2qls h GLU 7 CO 0.14 0.14 -0.37 0.87 -1.00 0.00 0.00 179.01 178.78 2qls h LYS 8 N 0.21 0.46 -0.04 2.33 1.79 -0.53 -2.46 116.57 118.33 2qls h LYS 8 Ca 0.70 -0.22 -0.09 0.00 -2.18 0.00 0.00 60.65 58.86 2qls h LYS 8 Cb 1.60 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.25 2qls h LYS 8 CO -0.68 0.77 -0.32 0.66 -1.08 0.00 0.00 179.45 178.81 2qls h SER 9 N 0.39 0.35 -0.60 0.86 4.64 -0.34 -0.83 113.55 118.02 2qls h SER 9 Ca 0.04 -0.69 0.03 0.00 -0.47 0.00 0.00 61.79 60.70 2qls h SER 9 Cb 0.83 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 2qls h SER 9 CO 0.07 0.99 0.40 -0.07 -0.87 0.00 0.00 176.83 177.34 2qls h LEU 10 N -0.26 0.61 0.18 5.97 3.38 -0.49 0.91 115.31 125.59 2qls h LEU 10 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2qls h LEU 10 Cb 1.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2qls h LEU 10 CO 0.06 0.42 -0.08 0.58 0.09 0.00 0.00 178.44 179.51 2qls h VAL 11 N 0.71 0.00 -0.58 1.22 2.07 -0.93 -3.10 116.25 115.63 2qls h VAL 11 Ca 0.24 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 2qls h VAL 11 Cb 0.07 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 2qls h VAL 11 CO -0.06 0.00 0.13 0.77 0.02 0.00 0.00 177.57 178.43 2qls h SER 12 N -0.75 0.86 -0.80 0.57 4.64 -1.21 -1.86 113.55 115.00 2qls h SER 12 Ca -0.02 -0.17 0.08 0.00 -0.47 0.00 0.00 61.79 61.21 2qls h SER 12 Cb 0.18 -0.22 -0.10 0.00 -0.31 0.00 0.00 62.40 61.94 2qls h SER 12 CO 0.04 0.84 -0.44 0.61 -0.87 0.00 0.00 176.83 177.01 2qls n GLY 13 N -0.79 -1.99 0.28 -0.77 0.00 0.31 -2.22 105.19 100.00 2qls n GLY 13 Ca 0.04 0.94 -0.09 0.00 0.00 0.00 0.00 46.02 46.91 2qls n GLY 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qls h LEU 14 N 0.00 0.92 -2.75 0.99 3.38 -1.29 -3.24 115.31 113.32 2qls h LEU 14 Ca 0.16 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2qls h LEU 14 Cb 0.36 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2qls h LEU 14 CO -0.76 0.99 0.00 -0.25 0.09 0.00 0.00 178.44 178.51 2qls h TRP 15 N 0.83 0.00 -0.44 1.13 2.91 -1.14 -0.90 115.95 118.34 2qls h TRP 15 Ca 0.16 0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.29 2qls h TRP 15 Cb 0.50 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.13 2qls h TRP 15 CO 0.04 0.00 0.31 0.78 -1.03 0.00 0.00 178.44 178.54 2qls h GLY 16 N 0.00 0.10 -2.46 2.65 0.00 -1.47 -2.74 103.07 99.15 2qls h GLY 16 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2qls h GLY 16 CO -0.00 0.02 0.00 0.28 0.00 0.00 0.00 176.54 176.84 2qls n LYS 17 N -4.43 2.57 -3.34 4.80 4.76 -0.34 -4.92 118.16 117.26 2qls n LYS 17 Ca 0.07 -2.42 -0.38 0.00 -2.87 0.00 0.00 58.31 52.71 2qls n LYS 17 Cb 0.47 -1.53 -0.07 0.00 -1.84 0.00 0.00 35.03 32.05 2qls n LYS 17 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2qls s VAL 18 N -1.21 5.17 -0.76 -0.18 1.01 -1.04 -5.01 120.40 118.38 2qls s VAL 18 Ca 0.44 0.80 -0.26 0.00 0.00 0.00 0.00 61.98 62.96 2qls s VAL 18 Cb 0.24 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.86 2qls s VAL 18 CO 0.32 0.24 1.50 0.21 0.00 0.00 0.00 175.10 177.37 2qls s ASN 19 N 1.03 5.90 0.26 3.32 3.84 -1.26 -4.91 114.94 123.12 2qls s ASN 19 Ca 0.21 -0.40 -0.04 0.00 0.21 0.00 0.00 52.86 52.84 2qls s ASN 19 Cb -0.15 -2.55 0.31 0.00 -0.55 0.00 0.00 41.25 38.30 2qls s ASN 19 CO 0.09 -2.00 1.87 1.62 -2.79 0.00 0.00 177.10 175.89 2qls h VAL 20 N 6.45 1.24 -1.06 -5.21 3.04 -1.97 0.61 116.25 119.35 2qls h VAL 20 Ca -0.18 -0.63 0.28 0.00 -1.01 0.00 0.00 66.70 65.16 2qls h VAL 20 Cb 1.07 0.19 -0.09 0.00 -2.01 0.00 0.00 31.29 30.45 2qls h VAL 20 CO 1.28 0.28 0.69 0.44 -1.01 0.00 0.00 177.57 179.25 2qls h ASP 21 N 1.12 0.40 0.15 3.17 5.19 -1.94 -3.06 116.42 121.45 2qls h ASP 21 Ca 0.28 0.08 -0.24 0.00 -0.62 0.00 0.00 57.03 56.53 2qls h ASP 21 Cb 0.06 0.02 0.03 0.00 0.18 0.00 0.00 39.33 39.61 2qls h ASP 21 CO -0.04 0.07 -1.03 -0.08 -3.12 0.00 0.00 179.24 175.03 2qls h GLU 22 N 0.34 0.43 0.11 3.56 4.57 -0.21 -3.39 114.58 120.00 2qls h GLU 22 Ca 0.60 -0.66 -0.32 0.00 -1.18 0.00 0.00 59.36 57.80 2qls h GLU 22 Cb 1.61 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 30.42 2qls h GLU 22 CO -0.27 1.30 -1.63 0.28 -1.18 0.00 0.00 179.01 177.50 2qls h VAL 23 N -0.11 1.02 0.00 0.32 2.07 -1.25 -2.93 116.25 115.38 2qls h VAL 23 Ca -0.17 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.65 2qls h VAL 23 Cb 1.79 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 34.24 2qls h VAL 23 CO 0.19 0.79 0.00 0.61 0.02 0.00 0.00 177.57 179.19 2qls n GLY 24 N 1.71 -3.08 0.00 2.17 0.00 -1.24 0.35 105.19 105.11 2qls n GLY 24 Ca -0.19 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2qls n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qls n GLY 25 N -0.98 0.00 0.16 -0.02 0.00 -1.25 -1.64 105.19 101.46 2qls n GLY 25 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2qls n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qls h GLU 26 N 0.00 0.52 -0.50 1.61 4.81 -1.23 -0.11 114.58 119.69 2qls h GLU 26 Ca 0.00 -0.62 0.10 0.00 -0.13 0.00 0.00 59.36 58.70 2qls h GLU 26 Cb 0.00 0.19 -0.08 0.00 0.63 0.00 0.00 28.75 29.49 2qls h GLU 26 CO 0.00 1.24 -0.00 0.00 -0.73 0.00 0.00 179.01 179.52 2qls h ALA 27 N 0.30 0.46 0.06 2.92 0.00 0.35 0.79 119.26 124.15 2qls h ALA 27 Ca -0.12 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qls h ALA 27 Cb 1.59 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2qls h ALA 27 CO 0.17 -0.39 -0.03 1.25 0.00 0.00 0.00 179.25 180.26 2qls h LEU 28 N 0.11 -0.06 -0.77 0.00 6.46 -1.33 -1.89 115.31 117.83 2qls h LEU 28 Ca 0.25 -0.45 0.15 0.00 -0.12 0.00 0.00 57.88 57.71 2qls h LEU 28 Cb 0.38 0.02 -0.15 0.00 -0.73 0.00 0.00 40.66 40.18 2qls h LEU 28 CO -0.42 0.43 -0.23 1.23 -0.62 0.00 0.00 178.44 178.84 2qls h GLY 29 N -0.58 0.45 0.98 3.75 0.00 -0.90 -2.74 103.07 104.02 2qls h GLY 29 Ca -0.01 0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.63 2qls h GLY 29 CO 0.01 -0.28 0.33 3.21 0.00 0.00 0.00 176.54 179.81 2qls h ARG 30 N -0.02 0.66 -0.64 4.80 3.08 -0.59 -1.77 114.38 119.89 2qls h ARG 30 Ca 0.36 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.49 2qls h ARG 30 Cb 0.57 -0.15 -0.12 0.00 0.08 0.00 0.00 29.97 30.35 2qls h ARG 30 CO -0.80 0.43 -0.25 1.25 -1.07 0.00 0.00 179.97 179.53 2qls h LEU 31 N 0.68 -0.88 -1.23 3.04 5.85 -1.19 0.16 115.31 121.73 2qls h LEU 31 Ca 0.19 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 59.09 2qls h LEU 31 Cb -0.06 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2qls h LEU 31 CO -0.05 -0.26 0.14 -0.07 -0.34 0.00 0.00 178.44 177.85 2qls h LEU 32 N -0.08 0.62 0.10 2.25 3.38 -1.14 0.36 115.31 120.80 2qls h LEU 32 Ca 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2qls h LEU 32 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2qls h LEU 32 CO -0.70 0.60 -0.05 0.40 0.09 0.00 0.00 178.44 178.78 2qls h ILE 33 N 0.66 1.05 0.14 1.22 2.04 -0.29 -3.14 117.51 119.20 2qls h ILE 33 Ca 0.16 -1.31 -0.29 0.00 1.00 0.00 0.00 64.86 64.41 2qls h ILE 33 Cb 0.21 1.80 0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2qls h ILE 33 CO -0.01 0.28 -1.26 0.58 0.00 0.00 0.00 178.15 177.75 2qls h VAL 34 N -0.82 1.36 -3.33 1.67 2.07 -0.76 -3.36 116.25 113.09 2qls h VAL 34 Ca -0.01 -2.69 -0.69 0.00 0.82 0.00 0.00 66.70 64.12 2qls h VAL 34 Cb 0.57 2.81 -0.36 0.00 -1.52 0.00 0.00 31.29 32.79 2qls h VAL 34 CO 0.02 0.80 -0.18 -0.31 0.02 0.00 0.00 177.57 177.92 2qls s TYR 35 N -2.84 3.79 0.35 1.57 2.02 0.11 -4.97 117.35 117.38 2qls s TYR 35 Ca -0.07 -3.02 0.14 0.00 -0.37 0.00 0.00 57.07 53.75 2qls s TYR 35 Cb 0.06 -3.18 0.76 0.00 -0.40 0.00 0.00 41.96 39.20 2qls s TYR 35 CO 0.91 -0.73 1.35 -1.35 -1.57 0.00 0.00 175.55 174.16 2qls h PRO 36 N 6.09 0.00 0.00 -1.71 0.11 -1.70 -1.21 132.00 133.58 2qls h PRO 36 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2qls h PRO 36 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2qls h PRO 36 CO 0.82 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.94 2qls n TRP 37 N -2.31 0.21 0.83 0.65 2.14 -1.26 -2.47 117.44 115.23 2qls n TRP 37 Ca -0.01 0.06 0.12 0.00 2.07 0.00 0.00 57.50 59.75 2qls n TRP 37 Cb 0.51 -0.60 0.53 0.00 -0.81 0.00 0.00 31.31 30.93 2qls n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 2qls n THR 38 N -1.67 0.31 0.33 -1.67 -2.24 -0.46 -2.41 114.28 106.48 2qls n THR 38 Ca 0.06 0.03 0.15 0.00 -2.27 0.00 0.00 64.05 62.02 2qls n THR 38 Cb 0.34 -0.64 0.61 0.00 -2.10 0.00 0.00 70.33 68.53 2qls n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2qls h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.71 -2.95 115.11 113.87 2qls h GLN 39 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2qls h GLN 39 Cb 0.46 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2qls h GLN 39 CO 0.00 0.00 -0.42 -0.09 -0.67 0.00 0.00 178.83 177.65 2qls h ARG 40 N 0.00 0.00 0.00 1.46 2.43 -1.71 -1.68 114.38 114.88 2qls h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qls h ARG 40 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2qls h ARG 40 CO 0.00 0.42 0.00 1.19 -1.51 0.00 0.00 179.97 180.07 2qls n PHE 41 N -3.37 0.02 -2.41 2.20 3.01 -1.11 -3.82 117.46 111.98 2qls n PHE 41 Ca 0.01 0.01 -0.28 0.00 1.01 0.00 0.00 57.45 58.19 2qls n PHE 41 Cb 0.61 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 2qls n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2qls n PHE 42 N -1.52 3.36 -0.20 1.38 3.01 -0.63 -4.78 117.46 118.09 2qls n PHE 42 Ca 0.06 -3.02 -0.05 0.00 1.01 0.00 0.00 57.45 55.44 2qls n PHE 42 Cb 0.28 -0.20 0.12 0.00 -0.01 0.00 0.00 39.48 39.67 2qls n PHE 42 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2qls h ASP 43 N 2.61 0.94 0.00 4.37 3.45 -1.66 -2.98 116.42 123.15 2qls h ASP 43 Ca 0.33 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.60 2qls h ASP 43 Cb 0.84 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 2qls h ASP 43 CO 0.91 0.91 0.08 -1.54 -1.57 0.00 0.00 179.24 178.03 2qls n SER 44 N -4.25 0.00 -0.00 6.45 3.41 -1.26 -2.09 113.62 115.88 2qls n SER 44 Ca 0.05 0.13 0.05 0.00 -0.26 0.00 0.00 58.87 58.84 2qls n SER 44 Cb 0.25 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 2qls n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qls n PHE 45 N -1.02 0.00 0.00 7.33 0.99 -1.13 -5.06 117.46 118.57 2qls n PHE 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2qls n PHE 45 Cb 0.08 -0.17 0.00 0.00 -1.00 0.00 0.00 39.48 38.40 2qls n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qls n GLY 46 N 1.73 0.98 3.64 1.37 0.00 -0.89 -4.82 105.19 107.21 2qls n GLY 46 Ca -0.01 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 2qls n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qls s ASP 47 N -4.00 6.85 0.00 1.61 3.68 -1.26 -4.80 116.67 118.75 2qls s ASP 47 Ca 0.00 0.98 0.00 0.00 2.13 0.00 0.00 52.55 55.66 2qls s ASP 47 Cb 0.00 -2.47 0.00 0.00 -1.45 0.00 0.00 42.92 39.00 2qls s ASP 47 CO 0.00 -0.66 0.78 0.18 0.13 0.00 0.00 175.17 175.60 2qls n LEU 48 N 6.32 1.43 0.23 -1.34 4.77 -1.26 -4.23 117.00 122.92 2qls n LEU 48 Ca 0.08 -1.43 0.08 0.00 -0.03 0.00 0.00 56.01 54.71 2qls n LEU 48 Cb 0.47 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 42.12 2qls n LEU 48 CO 0.52 0.36 0.89 0.77 -1.33 0.00 0.00 177.39 178.60 2qls h SER 49 N 0.00 0.00 -1.93 -1.43 4.64 -1.94 -3.41 113.55 109.49 2qls h SER 49 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 2qls h SER 49 Cb 0.46 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.42 2qls h SER 49 CO 0.00 0.20 -0.68 0.42 -0.87 0.00 0.00 176.83 175.90 2qls s THR 50 N -4.36 2.24 0.12 2.95 -4.23 -1.26 -5.02 115.64 106.08 2qls s THR 50 Ca -0.03 -2.20 -0.16 0.00 -1.18 0.00 0.00 61.69 58.12 2qls s THR 50 Cb 0.14 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 2qls s THR 50 CO 0.66 -0.20 1.60 -0.65 -0.54 0.00 0.00 174.62 175.50 2qls h PRO 51 N 2.01 0.61 0.00 3.99 0.11 -2.00 -2.31 132.00 134.42 2qls h PRO 51 Ca -0.42 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 65.52 2qls h PRO 51 Cb 1.25 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qls h PRO 51 CO 0.71 0.67 -0.03 0.38 -0.21 0.00 0.00 178.00 179.52 2qls h ASP 52 N 0.46 0.00 0.53 -2.05 2.03 -1.96 -1.65 116.42 113.78 2qls h ASP 52 Ca 0.11 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.39 2qls h ASP 52 Cb 0.35 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.86 2qls h ASP 52 CO 0.01 0.03 -0.26 0.00 -1.03 0.00 0.00 179.24 177.99 2qls h ALA 53 N 1.97 -0.72 -0.90 4.15 0.00 -1.77 -1.43 119.26 120.56 2qls h ALA 53 Ca -0.00 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.89 2qls h ALA 53 Cb 0.37 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 2qls h ALA 53 CO 0.00 -0.80 0.48 0.28 0.00 0.00 0.00 179.25 179.21 2qls h VAL 54 N -0.92 0.66 0.00 0.00 2.07 -1.37 -1.44 116.25 115.24 2qls h VAL 54 Ca -0.07 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2qls h VAL 54 Cb 0.62 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2qls h VAL 54 CO 0.12 0.11 -0.04 0.24 0.02 0.00 0.00 177.57 178.03 2qls h MET 55 N 0.61 0.00 -0.00 1.57 2.07 -1.10 -2.97 114.93 115.11 2qls h MET 55 Ca 0.52 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.15 2qls h MET 55 Cb 0.82 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.55 2qls h MET 55 CO -0.41 0.04 -0.21 -1.13 1.07 0.00 0.00 176.91 176.27 2qls n SER 56 N -3.27 0.76 -4.68 1.22 3.41 -0.56 -4.95 113.62 105.55 2qls n SER 56 Ca -0.02 -0.88 -0.43 0.00 -0.26 0.00 0.00 58.87 57.29 2qls n SER 56 Cb 0.19 0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 64.78 2qls n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2qls s ASN 57 N -1.28 7.11 0.22 4.04 3.84 -0.57 -4.94 114.94 123.35 2qls s ASN 57 Ca 0.05 1.61 -0.09 0.00 0.21 0.00 0.00 52.86 54.64 2qls s ASN 57 Cb 0.05 -2.55 0.22 0.00 -0.55 0.00 0.00 41.25 38.42 2qls s ASN 57 CO 0.21 -0.58 1.86 0.00 -2.79 0.00 0.00 177.10 175.80 2qls h ALA 58 N 7.44 1.00 0.00 1.71 0.00 -1.91 -2.71 119.26 124.80 2qls h ALA 58 Ca -0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2qls h ALA 58 Cb 1.13 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2qls h ALA 58 CO 0.90 0.29 -0.06 -0.22 0.00 0.00 0.00 179.25 180.16 2qls h LYS 59 N 0.94 0.00 0.06 0.00 3.64 -1.92 0.78 116.57 120.07 2qls h LYS 59 Ca 0.31 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2qls h LYS 59 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2qls h LYS 59 CO -0.11 0.06 -0.03 0.28 -2.27 0.00 0.00 179.45 177.38 2qls h VAL 60 N 0.00 0.57 -0.91 2.00 2.07 -1.84 -2.03 116.25 116.11 2qls h VAL 60 Ca -0.00 -1.32 0.33 0.00 0.82 0.00 0.00 66.70 66.53 2qls h VAL 60 Cb 0.13 1.05 -0.17 0.00 -1.52 0.00 0.00 31.29 30.78 2qls h VAL 60 CO 0.01 0.18 0.31 0.29 0.02 0.00 0.00 177.57 178.38 2qls n LYS 61 N -4.79 -0.06 0.09 1.57 5.02 -1.16 -1.58 118.16 117.25 2qls n LYS 61 Ca -0.04 1.30 -0.04 0.00 -2.02 0.00 0.00 58.31 57.51 2qls n LYS 61 Cb 0.17 -2.23 -0.06 0.00 -0.02 0.00 0.00 35.03 32.89 2qls n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qls h ALA 62 N 1.82 0.47 0.28 7.82 0.00 -0.72 -2.31 119.26 126.63 2qls h ALA 62 Ca 0.69 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2qls h ALA 62 Cb 1.70 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2qls h ALA 62 CO -0.76 1.06 -0.14 1.25 0.00 0.00 0.00 179.25 180.67 2qls h HIS 63 N 0.00 -0.35 -0.37 0.00 6.17 -1.05 -3.23 115.15 116.31 2qls h HIS 63 Ca -0.01 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.11 2qls h HIS 63 Cb 1.63 0.12 -0.05 0.00 2.52 0.00 0.00 27.41 31.63 2qls h HIS 63 CO 0.00 -0.05 -0.18 0.41 0.71 0.00 0.00 177.93 178.82 2qls n GLY 64 N 0.48 -0.85 0.27 5.26 0.00 -0.61 0.89 105.19 110.63 2qls n GLY 64 Ca -0.07 0.43 0.06 0.00 0.00 0.00 0.00 46.02 46.44 2qls n GLY 64 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qls h LYS 65 N 0.00 0.27 0.00 1.61 3.11 -1.49 0.57 116.57 120.63 2qls h LYS 65 Ca 0.10 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.87 2qls h LYS 65 Cb 0.19 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.35 2qls h LYS 65 CO -0.36 0.18 -0.22 0.87 -2.81 0.00 0.00 179.45 177.11 2qls h LYS 66 N 0.28 0.00 0.22 1.90 1.79 4.00 -1.43 116.57 123.33 2qls h LYS 66 Ca 0.43 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.58 2qls h LYS 66 Cb 0.74 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.42 2qls h LYS 66 CO -0.52 0.22 -1.45 0.28 -1.08 0.00 0.00 179.45 176.90 2qls h VAL 67 N 0.00 1.23 -0.39 0.50 2.07 0.28 -3.11 116.25 116.83 2qls h VAL 67 Ca -0.00 -2.63 -0.15 0.00 0.82 0.00 0.00 66.70 64.74 2qls h VAL 67 Cb 0.82 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.58 2qls h VAL 67 CO 0.03 0.80 -0.35 0.25 0.02 0.00 0.00 177.57 178.32 2qls h LEU 68 N 0.05 0.96 -1.21 2.57 7.12 -0.95 -2.27 115.31 121.59 2qls h LEU 68 Ca -0.26 -0.42 0.19 0.00 0.13 0.00 0.00 57.88 57.51 2qls h LEU 68 Cb 2.07 -0.27 -0.09 0.00 -0.53 0.00 0.00 40.66 41.85 2qls h LEU 68 CO 0.23 1.21 0.61 0.78 -0.13 0.00 0.00 178.44 181.15 2qls h ASN 69 N 0.75 0.65 -0.44 1.25 4.21 -1.31 0.19 115.58 120.89 2qls h ASN 69 Ca 0.07 0.07 -0.11 0.00 1.21 0.00 0.00 56.30 57.54 2qls h ASN 69 Cb 0.93 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 38.07 2qls h ASN 69 CO 0.09 0.25 -0.15 0.77 -1.29 0.00 0.00 177.43 177.10 2qls h SER 70 N 0.64 0.93 -0.48 5.81 4.64 -1.43 -2.92 113.55 120.74 2qls h SER 70 Ca 0.53 -0.32 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 2qls h SER 70 Cb 0.98 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 2qls h SER 70 CO -0.29 1.07 0.11 0.15 -0.87 0.00 0.00 176.83 177.01 2qls h PHE 71 N 0.81 0.87 -0.90 4.77 3.57 -0.81 0.11 116.94 125.36 2qls h PHE 71 Ca 0.12 -0.09 0.25 0.00 3.53 0.00 0.00 57.97 61.79 2qls h PHE 71 Cb 0.69 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 2qls h PHE 71 CO 0.04 0.74 0.64 0.77 -2.23 0.00 0.00 178.31 178.27 2qls h SER 72 N 0.80 0.06 0.14 0.41 0.02 -0.82 -1.64 113.55 112.52 2qls h SER 72 Ca 0.17 0.01 -0.31 0.00 -0.84 0.00 0.00 61.79 60.83 2qls h SER 72 Cb 0.32 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2qls h SER 72 CO 0.00 0.02 -1.55 0.44 -1.14 0.00 0.00 176.83 174.61 2qls h ASP 73 N 0.06 0.47 0.39 3.07 3.45 -1.02 -2.79 116.42 120.05 2qls h ASP 73 Ca 0.43 -0.89 -0.02 0.00 0.43 0.00 0.00 57.03 56.98 2qls h ASP 73 Cb 1.64 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 40.25 2qls h ASP 73 CO -0.03 1.69 -0.10 1.23 -1.57 0.00 0.00 179.24 180.46 2qls h GLY 74 N 0.31 0.00 2.00 2.75 0.00 -0.22 -2.27 103.07 105.64 2qls h GLY 74 Ca -0.32 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 2qls h GLY 74 CO 0.11 0.00 -0.10 1.41 0.00 0.00 0.00 176.54 177.95 2qls h LEU 75 N 0.00 0.00 0.15 3.11 4.07 -1.04 -0.82 115.31 120.78 2qls h LEU 75 Ca -0.00 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.64 2qls h LEU 75 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2qls h LEU 75 CO 0.01 0.10 -1.59 0.11 -1.08 0.00 0.00 178.44 175.99 2qls h LYS 76 N 0.00 0.31 -0.42 1.13 1.79 -1.35 -3.31 116.57 114.73 2qls h LYS 76 Ca -0.00 -0.54 -0.00 0.00 -2.18 0.00 0.00 60.65 57.93 2qls h LYS 76 Cb 0.43 0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2qls h LYS 76 CO 0.01 1.20 0.00 0.09 -1.08 0.00 0.00 179.45 179.68 2qls n ASN 77 N -3.51 4.79 -0.29 0.86 3.02 -1.18 -4.76 115.26 114.18 2qls n ASN 77 Ca -0.19 -2.99 0.23 0.00 -0.03 0.00 0.00 54.58 51.61 2qls n ASN 77 Cb 1.06 -0.62 0.36 0.00 -0.61 0.00 0.00 39.78 39.97 2qls n ASN 77 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qls n LEU 78 N 0.03 0.00 0.00 3.41 4.77 -0.32 -2.52 117.00 122.37 2qls n LEU 78 Ca 0.25 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 2qls n LEU 78 Cb 1.05 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 2qls n LEU 78 CO 0.24 -0.45 0.30 -0.67 -1.33 0.00 0.00 177.39 175.48 2qls n ASP 79 N -2.78 0.00 -3.65 -1.43 4.64 -1.26 -4.09 116.55 107.99 2qls n ASP 79 Ca 0.19 0.61 -0.41 0.00 -1.38 0.00 0.00 54.79 53.80 2qls n ASP 79 Cb 0.92 -0.11 0.01 0.00 -1.04 0.00 0.00 41.12 40.90 2qls n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 2qls n ASN 80 N -0.98 7.26 -0.04 1.67 2.85 -1.05 -4.88 115.26 120.10 2qls n ASN 80 Ca 0.00 -3.36 -0.02 0.00 -0.11 0.00 0.00 54.58 51.08 2qls n ASN 80 Cb 0.00 -1.30 -0.02 0.00 1.24 0.00 0.00 39.78 39.70 2qls n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2qls h LEU 81 N 5.36 -0.35 0.00 1.20 -0.00 -1.68 -2.61 115.31 117.22 2qls h LEU 81 Ca 0.55 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.47 2qls h LEU 81 Cb 0.39 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 2qls h LEU 81 CO 1.38 -0.07 0.00 0.29 -0.00 0.00 0.00 178.44 180.04 2qls n LYS 82 N -3.24 0.00 0.13 1.13 4.01 -1.26 -0.84 118.16 118.09 2qls n LYS 82 Ca -0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 2qls n LYS 82 Cb 0.06 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.49 2qls n LYS 82 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 2qls h GLY 83 N 0.00 -1.18 -0.79 0.72 0.00 -1.91 -2.45 103.07 97.46 2qls h GLY 83 Ca 0.00 0.62 0.25 0.00 0.00 0.00 0.00 47.33 48.19 2qls h GLY 83 CO 0.00 -0.31 0.04 -0.84 0.00 0.00 0.00 176.54 175.43 2qls h THR 84 N -0.70 0.12 -0.45 4.70 2.02 -0.83 -1.14 112.91 116.63 2qls h THR 84 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2qls h THR 84 Cb 0.68 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2qls h THR 84 CO -0.21 0.01 0.00 0.49 0.37 0.00 0.00 175.52 176.18 2qls n PHE 85 N -5.44 0.60 -0.00 3.16 3.01 -0.02 -4.67 117.46 114.10 2qls n PHE 85 Ca 0.21 -0.30 -0.13 0.00 1.01 0.00 0.00 57.45 58.23 2qls n PHE 85 Cb 0.69 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.14 2qls n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qls h ALA 86 N 3.95 0.48 -0.30 4.37 0.00 -0.74 0.76 119.26 127.77 2qls h ALA 86 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2qls h ALA 86 Cb 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2qls h ALA 86 CO 0.00 0.71 0.16 -0.22 0.00 0.00 0.00 179.25 179.90 2qls h LYS 87 N 0.45 0.43 0.00 0.00 1.63 -1.83 -0.45 116.57 116.80 2qls h LYS 87 Ca -0.03 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 2qls h LYS 87 Cb 1.30 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2qls h LYS 87 CO 0.14 0.38 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.41 2qls h LEU 88 N 0.37 0.00 0.01 5.20 3.38 -1.83 -2.90 115.31 119.52 2qls h LEU 88 Ca 0.11 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 2qls h LEU 88 Cb 0.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.85 2qls h LEU 88 CO -0.02 0.04 -0.73 -1.28 0.09 0.00 0.00 178.44 176.55 2qls h SER 89 N 0.00 0.63 -0.53 -0.43 0.87 0.16 -2.59 113.55 111.65 2qls h SER 89 Ca -0.00 -0.76 0.15 0.00 -1.23 0.00 0.00 61.79 59.95 2qls h SER 89 Cb 0.07 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 2qls h SER 89 CO 0.01 1.31 0.42 -0.08 -0.53 0.00 0.00 176.83 177.96 2qls h GLU 90 N 0.01 0.00 0.03 2.24 4.81 -1.00 -1.79 114.58 118.88 2qls h GLU 90 Ca -0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2qls h GLU 90 Cb 1.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.81 2qls h GLU 90 CO 0.14 0.00 -0.01 1.25 -0.73 0.00 0.00 179.01 179.66 2qls h LEU 91 N 0.00 -0.03 -1.89 1.64 5.85 -1.28 -1.38 115.31 118.22 2qls h LEU 91 Ca 0.25 -0.11 0.31 0.00 0.84 0.00 0.00 57.88 59.17 2qls h LEU 91 Cb 1.10 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 2qls h LEU 91 CO -0.00 0.52 0.78 0.45 -0.34 0.00 0.00 178.44 179.85 2qls h HIS 92 N -1.01 0.12 0.09 1.25 3.86 -1.38 0.06 115.15 118.15 2qls h HIS 92 Ca -0.00 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.86 2qls h HIS 92 Cb 0.14 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 2qls h HIS 92 CO 0.03 0.01 -1.91 0.00 0.86 0.00 0.00 177.93 176.92 2qls n ASP 94 N -3.37 1.93 -0.05 0.00 10.43 -0.52 -3.68 116.55 121.29 2qls n ASP 94 Ca -0.28 0.36 0.01 0.00 2.57 0.00 0.00 54.79 57.45 2qls n ASP 94 Cb 1.05 -0.86 -0.16 0.00 1.84 0.00 0.00 41.12 42.99 2qls n ASP 94 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2qls n LYS 95 N -4.29 0.68 -0.12 -1.24 3.00 -0.85 -4.47 118.16 110.88 2qls n LYS 95 Ca -0.49 -0.11 -0.22 0.00 -0.00 0.00 0.00 58.31 57.49 2qls n LYS 95 Cb 0.84 -1.52 -0.12 0.00 0.00 0.00 0.00 35.03 34.23 2qls n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2qls n LEU 96 N -2.48 2.60 -2.44 3.14 4.77 -0.05 -5.05 117.00 117.49 2qls n LEU 96 Ca -0.18 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.77 2qls n LEU 96 Cb 0.84 -0.91 0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2qls n LEU 96 CO 0.44 0.80 0.04 1.41 -1.33 0.00 0.00 177.39 178.75 2qls n HIS 97 N -3.62 -1.33 -3.32 -1.77 8.25 -0.07 -5.00 115.22 108.36 2qls n HIS 97 Ca -0.47 0.51 -0.38 0.00 -0.26 0.00 0.00 57.72 57.13 2qls n HIS 97 Cb 0.95 -3.59 -0.06 0.00 1.12 0.00 0.00 29.99 28.41 2qls n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qls s VAL 98 N -3.21 5.18 0.31 1.59 1.01 -0.63 -5.03 120.40 119.61 2qls s VAL 98 Ca 0.13 0.91 -0.27 0.00 0.00 0.00 0.00 61.98 62.75 2qls s VAL 98 Cb -0.02 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 2qls s VAL 98 CO 0.42 0.29 0.97 -0.62 0.00 0.00 0.00 175.10 176.17 2qls s ASP 99 N 0.75 7.33 0.44 3.32 2.15 -1.26 -4.85 116.67 124.54 2qls s ASP 99 Ca 0.25 1.94 0.10 0.00 0.43 0.00 0.00 52.55 55.26 2qls s ASP 99 Cb -0.15 -2.59 0.97 0.00 -0.30 0.00 0.00 42.92 40.84 2qls s ASP 99 CO 0.10 -0.07 2.07 -0.65 -0.17 0.00 0.00 175.17 176.44 2qls h PRO 100 N 3.40 0.41 -1.13 4.34 0.11 -1.97 -1.64 132.00 135.51 2qls h PRO 100 Ca -0.47 -0.02 0.40 0.00 0.11 0.00 0.00 66.00 66.02 2qls h PRO 100 Cb 1.20 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 32.07 2qls h PRO 100 CO 0.66 0.27 0.68 1.49 -0.21 0.00 0.00 178.00 180.88 2qls h GLU 101 N 0.42 0.11 -0.09 1.05 4.57 -1.99 0.81 114.58 119.46 2qls h GLU 101 Ca 0.13 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 2qls h GLU 101 Cb 0.01 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2qls h GLU 101 CO -0.03 0.08 -0.22 -0.91 -1.18 0.00 0.00 179.01 176.75 2qls h ASN 102 N 0.12 0.14 -0.74 1.04 4.21 -1.65 -2.34 115.58 116.37 2qls h ASN 102 Ca 0.81 -0.04 0.16 0.00 1.21 0.00 0.00 56.30 58.45 2qls h ASN 102 Cb 2.24 -0.04 -0.13 0.00 -1.12 0.00 0.00 38.32 39.27 2qls h ASN 102 CO -0.58 0.38 -0.02 -0.26 -1.29 0.00 0.00 177.43 175.65 2qls h PHE 103 N 0.14 -0.09 -0.77 1.19 0.04 -1.00 0.17 116.94 116.62 2qls h PHE 103 Ca 0.02 0.06 0.18 0.00 2.80 0.00 0.00 57.97 61.03 2qls h PHE 103 Cb 0.47 0.16 -0.12 0.00 2.20 0.00 0.00 35.95 38.66 2qls h PHE 103 CO 0.00 -0.24 0.15 -0.22 -0.60 0.00 0.00 178.31 177.40 2qls h LYS 104 N 0.09 0.21 0.17 1.51 3.64 -1.38 0.12 116.57 120.93 2qls h LYS 104 Ca 0.40 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 59.52 2qls h LYS 104 Cb 0.68 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.48 2qls h LYS 104 CO -0.66 0.14 -1.11 -0.07 -2.27 0.00 0.00 179.45 175.48 2qls h LEU 105 N 0.22 0.57 -0.73 5.20 3.38 -1.10 0.24 115.31 123.09 2qls h LEU 105 Ca 0.44 -0.93 0.12 0.00 0.09 0.00 0.00 57.88 57.60 2qls h LEU 105 Cb 0.79 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 2qls h LEU 105 CO -0.57 1.52 0.32 0.25 0.09 0.00 0.00 178.44 180.06 2qls h LEU 106 N -0.20 0.36 -0.48 1.67 5.85 -0.80 -1.05 115.31 120.65 2qls h LEU 106 Ca -0.20 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.68 2qls h LEU 106 Cb 1.82 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.83 2qls h LEU 106 CO 0.18 0.17 0.11 1.23 -0.34 0.00 0.00 178.44 179.79 2qls h GLY 107 N 0.51 0.59 2.00 3.75 0.00 -0.11 0.11 103.07 109.93 2qls h GLY 107 Ca 0.39 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 2qls h GLY 107 CO -0.35 -0.05 -0.12 3.43 0.00 0.00 0.00 176.54 179.45 2qls h ASN 108 N 0.26 0.00 0.81 0.19 -0.26 0.15 -0.80 115.58 115.93 2qls h ASN 108 Ca 0.24 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.74 2qls h ASN 108 Cb 0.30 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 2qls h ASN 108 CO -0.29 0.12 -1.21 -0.37 -1.06 0.00 0.00 177.43 174.62 2qls h VAL 109 N 0.00 1.48 -0.70 2.81 -1.51 0.43 0.16 116.25 118.91 2qls h VAL 109 Ca -0.00 -3.19 0.15 0.00 -1.23 0.00 0.00 66.70 62.42 2qls h VAL 109 Cb 0.26 2.77 -0.11 0.00 -2.13 0.00 0.00 31.29 32.08 2qls h VAL 109 CO 0.02 0.86 0.12 0.25 -1.23 0.00 0.00 177.57 177.59 2qls h LEU 110 N 0.01 -0.08 -0.52 4.19 6.46 -1.23 -0.10 115.31 124.05 2qls h LEU 110 Ca -0.10 0.15 0.06 0.00 -0.12 0.00 0.00 57.88 57.88 2qls h LEU 110 Cb 1.86 0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 41.95 2qls h LEU 110 CO 0.13 -0.06 0.22 0.58 -0.62 0.00 0.00 178.44 178.69 2qls h VAL 111 N 0.22 0.87 -0.56 1.05 2.07 -0.44 -2.12 116.25 117.33 2qls h VAL 111 Ca 0.39 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.85 2qls h VAL 111 Cb 0.65 0.41 -0.11 0.00 -1.52 0.00 0.00 31.29 30.72 2qls h VAL 111 CO -0.52 0.08 -0.41 0.00 0.02 0.00 0.00 177.57 176.74 2qls h VAL 113 N -0.22 1.27 -0.32 0.00 2.07 -0.88 -1.55 116.25 116.62 2qls h VAL 113 Ca 0.19 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 2qls h VAL 113 Cb 0.56 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2qls h VAL 113 CO -0.68 0.43 0.18 -0.07 0.02 0.00 0.00 177.57 177.46 2qls h LEU 114 N 0.52 0.39 -1.32 2.57 3.38 -0.69 -0.83 115.31 119.32 2qls h LEU 114 Ca 0.07 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2qls h LEU 114 Cb 0.72 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2qls h LEU 114 CO 0.06 0.34 0.46 0.00 0.09 0.00 0.00 178.44 179.39 2qls h ALA 115 N 1.06 1.52 -0.09 1.53 0.00 -0.35 0.38 119.26 123.32 2qls h ALA 115 Ca 0.11 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2qls h ALA 115 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2qls h ALA 115 CO -0.02 0.43 -0.67 1.25 0.00 0.00 0.00 179.25 180.24 2qls h HIS 116 N 0.93 0.52 0.21 0.00 -0.00 -0.97 -2.66 115.15 113.18 2qls h HIS 116 Ca 0.26 -0.22 -0.28 0.00 -0.00 0.00 0.00 60.37 60.14 2qls h HIS 116 Cb -0.07 -0.09 0.03 0.00 -0.00 0.00 0.00 27.41 27.29 2qls h HIS 116 CO -0.00 0.95 -1.22 0.45 -0.00 0.00 0.00 177.93 178.11 2qls h HIS 117 N 0.28 0.82 -0.01 5.26 -0.00 0.13 -3.39 115.15 118.23 2qls h HIS 117 Ca -0.02 -0.60 0.00 0.00 -0.00 0.00 0.00 60.37 59.75 2qls h HIS 117 Cb 1.23 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 2qls h HIS 117 CO 0.04 1.47 -0.49 1.19 -0.00 0.00 0.00 177.93 180.14 2qls n PHE 118 N -3.88 0.00 0.00 2.45 0.99 0.12 -5.03 117.46 112.11 2qls n PHE 118 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 2qls n PHE 118 Cb 1.00 -0.07 0.00 0.00 -1.00 0.00 0.00 39.48 39.40 2qls n PHE 118 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qls n GLY 119 N 1.42 2.65 0.25 1.37 0.00 -1.01 -1.42 105.19 108.46 2qls n GLY 119 Ca 0.09 0.34 0.16 0.00 0.00 0.00 0.00 46.02 46.61 2qls n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qls h LYS 120 N 0.00 0.00 0.00 1.61 1.79 -1.96 -2.88 116.57 115.13 2qls h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2qls h LYS 120 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2qls h LYS 120 CO 0.00 0.00 0.00 0.93 -1.08 0.00 0.00 179.45 179.30 2qls h GLU 121 N 0.00 0.00 -2.12 3.15 5.08 -1.64 -3.03 114.58 116.03 2qls h GLU 121 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2qls h GLU 121 Cb 0.56 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2qls h GLU 121 CO 0.00 0.00 -0.15 0.34 -1.00 0.00 0.00 179.01 178.20 2qls n PHE 122 N -2.62 0.00 -1.48 4.33 7.35 -1.09 -4.87 117.46 119.08 2qls n PHE 122 Ca 0.03 -1.08 -0.40 0.00 -0.76 0.00 0.00 57.45 55.24 2qls n PHE 122 Cb 0.33 -1.05 0.02 0.00 0.35 0.00 0.00 39.48 39.13 2qls n PHE 122 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2qls n THR 123 N 2.24 2.12 -0.23 -2.13 -2.24 -1.15 -4.47 114.28 108.42 2qls n THR 123 Ca 0.23 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.47 2qls n THR 123 Cb 0.63 -0.70 0.02 0.00 -2.10 0.00 0.00 70.33 68.18 2qls n THR 123 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2qls h PRO 124 N 0.64 -0.12 0.00 -0.78 0.11 -1.94 1.14 132.00 131.05 2qls h PRO 124 Ca -0.43 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2qls h PRO 124 Cb 1.39 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.53 2qls h PRO 124 CO 0.50 -0.08 0.00 1.04 -0.21 0.00 0.00 178.00 179.25 2qls n GLN 125 N -5.45 0.00 -0.37 1.05 3.00 -1.26 -1.60 117.38 112.76 2qls n GLN 125 Ca 0.06 0.02 0.28 0.00 -0.01 0.00 0.00 57.00 57.35 2qls n GLN 125 Cb 0.36 -0.05 0.55 0.00 0.00 0.00 0.00 30.24 31.10 2qls n GLN 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2qls h VAL 126 N 0.00 0.34 0.00 5.09 2.07 0.94 -1.91 116.25 122.77 2qls h VAL 126 Ca 0.00 -0.10 -0.16 0.00 0.82 0.00 0.00 66.70 67.27 2qls h VAL 126 Cb 0.00 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 2qls h VAL 126 CO 0.00 0.05 -0.74 -0.61 0.02 0.00 0.00 177.57 176.29 2qls h GLN 127 N 0.28 0.00 -0.90 1.57 4.15 -0.06 -2.98 115.11 117.18 2qls h GLN 127 Ca 0.70 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 60.11 2qls h GLN 127 Cb 1.90 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.55 2qls h GLN 127 CO -0.41 0.74 0.50 0.00 -1.93 0.00 0.00 178.83 177.73 2qls h ALA 128 N 1.26 1.15 -0.42 3.38 0.00 -0.46 0.82 119.26 124.99 2qls h ALA 128 Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2qls h ALA 128 Cb 1.45 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2qls h ALA 128 CO 0.10 0.65 -0.11 0.00 0.00 0.00 0.00 179.25 179.89 2qls h ALA 129 N 1.27 0.57 0.00 0.00 0.00 -1.50 -2.12 119.26 117.49 2qls h ALA 129 Ca 0.32 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2qls h ALA 129 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2qls h ALA 129 CO -0.05 0.46 -0.55 1.88 0.00 0.00 0.00 179.25 180.99 2qls h TYR 130 N 0.63 0.00 -0.19 0.00 0.05 -1.25 -1.14 116.97 115.07 2qls h TYR 130 Ca 0.10 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.94 2qls h TYR 130 Cb 0.64 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 2qls h TYR 130 CO 0.05 0.55 0.16 1.96 -1.05 0.00 0.00 178.16 179.83 2qls h GLN 131 N 0.00 0.00 0.09 4.88 1.08 0.13 0.21 115.11 121.50 2qls h GLN 131 Ca -0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2qls h GLN 131 Cb 0.99 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 2qls h GLN 131 CO 0.07 0.00 -0.04 0.87 -0.95 0.00 0.00 178.83 178.78 2qls h LYS 132 N 0.00 -0.12 0.11 1.46 1.57 -0.82 -1.82 116.57 116.95 2qls h LYS 132 Ca 0.09 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2qls h LYS 132 Cb 0.41 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2qls h LYS 132 CO -0.00 0.34 -0.09 0.28 -0.57 0.00 0.00 179.45 179.41 2qls h VAL 133 N -0.94 0.80 -0.84 0.50 2.07 -0.71 0.17 116.25 117.29 2qls h VAL 133 Ca -0.01 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.67 2qls h VAL 133 Cb 0.51 0.80 -0.16 0.00 -1.52 0.00 0.00 31.29 30.92 2qls h VAL 133 CO 0.02 0.00 -0.21 0.58 0.02 0.00 0.00 177.57 177.98 2qls h VAL 134 N -0.21 0.16 -0.51 2.57 2.07 -0.70 0.97 116.25 120.60 2qls h VAL 134 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 2qls h VAL 134 Cb 0.19 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2qls h VAL 134 CO -0.01 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.53 2qls h ALA 135 N 1.83 0.96 -0.30 1.67 0.00 -0.69 -0.94 119.26 121.80 2qls h ALA 135 Ca 0.40 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2qls h ALA 135 Cb 0.61 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 2qls h ALA 135 CO -0.86 0.62 -0.26 0.78 0.00 0.00 0.00 179.25 179.53 2qls h GLY 136 N 0.98 -0.17 0.92 0.00 0.00 -0.54 -2.79 103.07 101.47 2qls h GLY 136 Ca 0.14 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 2qls h GLY 136 CO 0.03 -0.20 -0.07 -2.08 0.00 0.00 0.00 176.54 174.21 2qls h VAL 137 N -0.24 0.89 -0.52 4.60 2.07 -0.27 -0.92 116.25 121.86 2qls h VAL 137 Ca 0.15 -0.18 0.10 0.00 0.82 0.00 0.00 66.70 67.59 2qls h VAL 137 Cb 0.48 1.01 -0.10 0.00 -1.52 0.00 0.00 31.29 31.16 2qls h VAL 137 CO -0.44 0.04 -0.16 0.00 0.02 0.00 0.00 177.57 177.03 2qls h ALA 138 N 0.54 0.28 -0.75 1.67 0.00 -1.22 0.26 119.26 120.05 2qls h ALA 138 Ca -0.02 0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.24 2qls h ALA 138 Cb 0.23 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 2qls h ALA 138 CO 0.03 -0.48 0.25 -0.91 0.00 0.00 0.00 179.25 178.14 2qls h ASN 139 N -0.04 0.16 -0.42 0.00 -0.26 -1.43 -1.70 115.58 111.89 2qls h ASN 139 Ca 0.25 0.13 -0.07 0.00 -0.56 0.00 0.00 56.30 56.05 2qls h ASN 139 Cb 0.42 0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.80 2qls h ASN 139 CO -0.56 0.03 0.00 0.00 -1.06 0.00 0.00 177.43 175.85 2qls h ALA 140 N 1.58 0.57 -0.16 -0.83 0.00 0.85 -1.51 119.26 119.77 2qls h ALA 140 Ca 0.42 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2qls h ALA 140 Cb 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2qls h ALA 140 CO -0.46 0.35 0.12 -0.07 0.00 0.00 0.00 179.25 179.20 2qls h LEU 141 N 0.58 0.00 -0.04 0.00 3.38 -0.90 -3.22 115.31 115.11 2qls h LEU 141 Ca 0.12 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 2qls h LEU 141 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2qls h LEU 141 CO 0.02 0.00 -0.99 0.00 0.09 0.00 0.00 178.44 177.56 2qls h ALA 142 N 1.90 0.38 -0.19 1.53 0.00 -0.32 -3.41 119.26 119.15 2qls h ALA 142 Ca 0.07 -0.88 0.02 0.00 0.00 0.00 0.00 54.91 54.12 2qls h ALA 142 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2qls h ALA 142 CO -0.00 1.20 -0.11 1.58 0.00 0.00 0.00 179.25 181.91 2qls n HIS 143 N -3.40 -0.09 0.00 0.00 -0.00 -0.91 -0.11 115.22 110.72 2qls n HIS 143 Ca -0.01 0.24 0.00 0.00 -0.00 0.00 0.00 57.72 57.96 2qls n HIS 143 Cb 0.92 -0.50 0.00 0.00 -0.00 0.00 0.00 29.99 30.41 2qls n HIS 143 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2qls n LYS 144 N -4.18 0.00 0.00 1.57 4.01 -1.26 -0.92 118.16 117.37 2qls n LYS 144 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2qls n LYS 144 Cb 0.05 -0.90 0.00 0.00 -0.51 0.00 0.00 35.03 33.67 2qls n LYS 144 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2qls n TYR 145 N 0.01 0.00 0.74 2.13 4.01 0.84 -5.00 117.16 119.89 2qls n TYR 145 Ca 0.00 -0.02 0.09 0.00 -0.16 0.00 0.00 57.90 57.81 2qls n TYR 145 Cb 0.00 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.10 2qls n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12