#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 -2.55 1.45 -0.00 -1.26 -5.04 115.22 107.83 2qls n HIS 2 Ca 0.00 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.13 2qls n HIS 2 Cb 0.00 -0.04 -0.04 0.00 -0.12 0.00 0.00 29.99 29.80 2qls n HIS 2 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2qls n LEU 3 N -1.35 -6.18 -4.70 0.27 4.32 -1.26 -5.02 117.00 103.07 2qls n LEU 3 Ca 0.00 2.07 -0.30 0.00 -0.02 0.00 0.00 56.01 57.76 2qls n LEU 3 Cb 0.00 -3.18 0.15 0.00 -1.62 0.00 0.00 43.42 38.77 2qls n LEU 3 CO 0.00 -3.72 0.66 0.42 -1.22 0.00 0.00 177.39 173.52 2qls s THR 4 N -0.77 2.51 0.21 -5.08 -4.23 -1.26 -4.59 115.64 102.42 2qls s THR 4 Ca -0.24 0.17 -0.10 0.00 -1.18 0.00 0.00 61.69 60.35 2qls s THR 4 Cb 0.02 -2.61 0.15 0.00 1.34 0.00 0.00 72.50 71.39 2qls s THR 4 CO 0.75 -0.22 1.82 0.00 -0.54 0.00 0.00 174.62 176.44 2qls h ALA 5 N -1.67 0.97 -0.75 3.99 0.00 -1.99 -0.77 119.26 119.03 2qls h ALA 5 Ca -0.51 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.33 2qls h ALA 5 Cb 1.29 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2qls h ALA 5 CO 0.54 0.49 0.49 1.49 0.00 0.00 0.00 179.25 182.27 2qls h GLU 6 N 1.05 0.84 0.29 0.00 4.81 -2.00 -0.58 114.58 118.98 2qls h GLU 6 Ca 0.27 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2qls h GLU 6 Cb 0.05 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2qls h GLU 6 CO -0.04 0.56 -0.14 0.93 -0.73 0.00 0.00 179.01 179.59 2qls h GLU 7 N 0.87 -0.37 -0.82 1.92 5.08 -1.61 -2.50 114.58 117.13 2qls h GLU 7 Ca 0.31 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.88 2qls h GLU 7 Cb 0.14 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.32 2qls h GLU 7 CO -0.10 -0.08 -0.10 0.87 -1.00 0.00 0.00 179.01 178.60 2qls h LYS 8 N -0.68 0.03 0.00 2.33 1.57 -1.04 0.28 116.57 119.06 2qls h LYS 8 Ca -0.04 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2qls h LYS 8 Cb 0.47 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 2qls h LYS 8 CO 0.07 0.02 -0.23 0.77 -0.57 0.00 0.00 179.45 179.51 2qls h SER 9 N 0.03 -0.68 -0.01 0.86 0.02 -1.03 -0.97 113.55 111.79 2qls h SER 9 Ca 0.43 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.51 2qls h SER 9 Cb 0.73 0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 2qls h SER 9 CO -0.80 -0.30 -0.34 -0.07 -1.14 0.00 0.00 176.83 174.19 2qls h LEU 10 N -0.36 -1.01 -0.54 5.07 4.07 -0.87 -0.98 115.31 120.68 2qls h LEU 10 Ca 0.06 0.13 0.11 0.00 0.08 0.00 0.00 57.88 58.26 2qls h LEU 10 Cb 0.44 0.41 -0.09 0.00 1.08 0.00 0.00 40.66 42.50 2qls h LEU 10 CO -0.21 -0.40 0.02 0.58 -1.08 0.00 0.00 178.44 177.35 2qls h VAL 11 N -0.49 0.59 -0.01 1.22 2.07 -0.37 -2.57 116.25 116.69 2qls h VAL 11 Ca 0.06 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 2qls h VAL 11 Cb 0.58 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2qls h VAL 11 CO -0.28 0.02 -0.57 0.28 0.02 0.00 0.00 177.57 177.05 2qls h SER 12 N 0.13 0.03 -0.00 0.57 0.02 -0.95 -2.62 113.55 110.74 2qls h SER 12 Ca 0.28 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.08 2qls h SER 12 Cb 0.42 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2qls h SER 12 CO -0.44 0.60 -0.41 1.23 -1.14 0.00 0.00 176.83 176.66 2qls h GLY 13 N 1.67 0.57 0.99 -3.77 0.00 -0.94 -2.77 103.07 98.81 2qls h GLY 13 Ca -0.01 -0.57 -0.32 0.00 0.00 0.00 0.00 47.33 46.44 2qls h GLY 13 CO 0.08 0.51 -1.71 -2.00 0.00 0.00 0.00 176.54 173.41 2qls h LEU 14 N 0.43 0.32 -1.15 3.11 7.12 -1.39 -3.18 115.31 120.57 2qls h LEU 14 Ca 0.04 -0.56 0.00 0.00 0.13 0.00 0.00 57.88 57.49 2qls h LEU 14 Cb 0.91 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.93 2qls h LEU 14 CO 0.08 1.48 0.20 -0.25 -0.13 0.00 0.00 178.44 179.82 2qls h TRP 15 N 0.06 0.00 0.00 1.25 2.91 -1.41 -1.10 115.95 117.65 2qls h TRP 15 Ca -0.31 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.71 2qls h TRP 15 Cb 2.02 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.67 2qls h TRP 15 CO 0.05 0.00 -0.70 0.41 -1.03 0.00 0.00 178.44 177.17 2qls n GLY 16 N -1.28 -1.28 1.43 2.65 0.00 -1.05 -2.18 105.19 103.49 2qls n GLY 16 Ca -0.01 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.76 2qls n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qls n LYS 17 N -1.80 3.15 -2.61 1.61 5.02 -0.42 -5.00 118.16 118.11 2qls n LYS 17 Ca 0.04 -2.64 -0.41 0.00 -2.02 0.00 0.00 58.31 53.27 2qls n LYS 17 Cb 0.39 -1.72 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 2qls n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qls s VAL 18 N -1.47 4.27 -0.41 -0.18 1.01 -0.93 -4.99 120.40 117.71 2qls s VAL 18 Ca 0.48 1.82 -0.15 0.00 0.00 0.00 0.00 61.98 64.13 2qls s VAL 18 Cb 0.28 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.52 2qls s VAL 18 CO 0.28 0.25 0.32 0.21 0.00 0.00 0.00 175.10 176.16 2qls s ASN 19 N 0.26 6.12 0.04 3.32 2.47 -1.26 -4.92 114.94 120.97 2qls s ASN 19 Ca 0.50 -0.86 0.04 0.00 0.42 0.00 0.00 52.86 52.96 2qls s ASN 19 Cb -0.26 -2.17 -0.24 0.00 -1.45 0.00 0.00 41.25 37.13 2qls s ASN 19 CO 0.31 -0.46 0.99 1.62 -3.72 0.00 0.00 177.10 175.84 2qls h VAL 20 N 5.64 1.32 -0.81 -5.21 3.04 -1.98 -1.54 116.25 116.71 2qls h VAL 20 Ca -0.27 -3.03 0.20 0.00 -1.01 0.00 0.00 66.70 62.58 2qls h VAL 20 Cb 1.12 2.73 -0.13 0.00 -2.01 0.00 0.00 31.29 33.00 2qls h VAL 20 CO 0.74 0.81 0.18 0.44 -1.01 0.00 0.00 177.57 178.72 2qls h ASP 21 N 0.03 -0.05 0.00 3.17 3.45 -1.96 -3.14 116.42 117.92 2qls h ASP 21 Ca -0.16 0.18 -0.07 0.00 0.43 0.00 0.00 57.03 57.41 2qls h ASP 21 Cb 1.92 0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 40.93 2qls h ASP 21 CO 0.13 -0.11 -0.57 -0.33 -1.57 0.00 0.00 179.24 176.79 2qls h GLU 22 N 0.22 0.00 -0.63 3.56 5.08 -1.86 -3.38 114.58 117.56 2qls h GLU 22 Ca 0.48 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.96 2qls h GLU 22 Cb 0.89 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.05 2qls h GLU 22 CO -0.60 0.49 0.17 0.28 -1.00 0.00 0.00 179.01 178.35 2qls h VAL 23 N -1.00 0.65 -0.72 3.13 2.07 -1.42 -2.73 116.25 116.22 2qls h VAL 23 Ca -0.11 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2qls h VAL 23 Cb 0.76 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2qls h VAL 23 CO -0.07 0.06 0.35 1.23 0.02 0.00 0.00 177.57 179.16 2qls h GLY 24 N 0.30 1.09 1.98 2.17 0.00 -1.74 0.49 103.07 107.36 2qls h GLY 24 Ca 0.33 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2qls h GLY 24 CO -0.40 0.49 0.01 -1.33 0.00 0.00 0.00 176.54 175.31 2qls h GLY 25 N 1.07 0.00 0.32 4.60 0.00 -1.71 -2.82 103.07 104.53 2qls h GLY 25 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.23 2qls h GLY 25 CO -0.03 0.00 -1.96 -2.21 0.00 0.00 0.00 176.54 172.34 2qls n GLU 26 N -3.23 0.68 -0.12 4.80 2.13 0.06 -1.87 120.64 123.09 2qls n GLU 26 Ca -0.03 0.32 -0.04 0.00 0.66 0.00 0.00 57.16 58.06 2qls n GLU 26 Cb 0.08 -1.67 0.03 0.00 0.27 0.00 0.00 31.44 30.15 2qls n GLU 26 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qls h ALA 27 N -0.16 0.34 0.74 4.31 0.00 -1.36 -1.81 119.26 121.33 2qls h ALA 27 Ca -0.46 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2qls h ALA 27 Cb 1.81 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.85 2qls h ALA 27 CO -0.05 -0.42 -0.40 1.25 0.00 0.00 0.00 179.25 179.63 2qls h LEU 28 N 0.07 -0.99 -0.76 0.00 6.46 -1.65 -1.87 115.31 116.56 2qls h LEU 28 Ca 0.20 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 58.11 2qls h LEU 28 Cb 0.30 0.27 -0.11 0.00 -0.73 0.00 0.00 40.66 40.39 2qls h LEU 28 CO -0.37 -0.65 -0.35 0.61 -0.62 0.00 0.00 178.44 177.06 2qls n GLY 29 N -1.54 -1.70 0.30 3.75 0.00 -0.78 -1.26 105.19 103.96 2qls n GLY 29 Ca -0.13 0.87 -0.08 0.00 0.00 0.00 0.00 46.02 46.68 2qls n GLY 29 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qls h ARG 30 N 0.00 1.03 -0.45 1.61 3.08 -1.27 0.70 114.38 119.08 2qls h ARG 30 Ca 0.22 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2qls h ARG 30 Cb 0.41 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2qls h ARG 30 CO -0.74 0.93 0.18 1.25 -1.07 0.00 0.00 179.97 180.52 2qls h LEU 31 N 0.95 0.62 -0.55 3.04 5.85 -0.31 0.69 115.31 125.60 2qls h LEU 31 Ca 0.20 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 2qls h LEU 31 Cb 0.38 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2qls h LEU 31 CO 0.00 0.62 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.41 2qls h LEU 32 N 0.59 0.93 0.33 2.25 3.38 -0.82 0.26 115.31 122.22 2qls h LEU 32 Ca 0.15 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2qls h LEU 32 Cb 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2qls h LEU 32 CO -0.01 1.13 -0.16 0.40 0.09 0.00 0.00 178.44 179.89 2qls h ILE 33 N 0.78 0.70 -0.09 1.22 2.04 0.06 -3.32 117.51 118.89 2qls h ILE 33 Ca 0.10 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.58 2qls h ILE 33 Cb 0.80 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2qls h ILE 33 CO 0.07 0.05 -0.53 0.58 0.00 0.00 0.00 178.15 178.32 2qls h VAL 34 N -0.57 1.35 -3.01 1.67 2.07 0.40 -3.37 116.25 114.79 2qls h VAL 34 Ca -0.04 -1.80 -0.62 0.00 0.82 0.00 0.00 66.70 65.06 2qls h VAL 34 Cb 0.42 1.87 -0.41 0.00 -1.52 0.00 0.00 31.29 31.64 2qls h VAL 34 CO 0.07 0.54 -0.64 -0.31 0.02 0.00 0.00 177.57 177.25 2qls s TYR 35 N -3.92 3.11 0.53 1.57 2.02 0.90 -4.97 117.35 116.59 2qls s TYR 35 Ca -0.04 -3.14 0.22 0.00 -0.37 0.00 0.00 57.07 53.74 2qls s TYR 35 Cb 0.12 -2.43 1.37 0.00 -0.40 0.00 0.00 41.96 40.63 2qls s TYR 35 CO 0.79 -0.62 2.08 -1.35 -1.57 0.00 0.00 175.55 174.88 2qls h PRO 36 N 5.61 0.00 -0.08 -1.71 0.11 -1.74 -0.88 132.00 133.31 2qls h PRO 36 Ca 0.13 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.27 2qls h PRO 36 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 2qls h PRO 36 CO 0.65 0.00 0.44 0.11 -0.21 0.00 0.00 178.00 178.99 2qls h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.93 -2.34 115.95 112.42 2qls h TRP 37 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.11 2qls h TRP 37 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.76 2qls h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 2qls n THR 38 N -2.98 0.04 0.18 0.12 -2.24 -0.34 -3.01 114.28 106.06 2qls n THR 38 Ca 0.00 0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 2qls n THR 38 Cb 0.50 -0.53 0.25 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.60 -0.78 4.20 -1.64 -2.92 115.11 112.36 2qls h GLN 39 Ca 0.00 0.00 0.48 0.00 0.06 0.00 0.00 58.65 59.19 2qls h GLN 39 Cb 0.31 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.00 2qls h GLN 39 CO 0.00 0.40 1.13 0.07 -0.67 0.00 0.00 178.83 179.76 2qls h ARG 40 N 0.00 0.03 0.00 1.46 0.11 -1.76 -1.40 114.38 112.81 2qls h ARG 40 Ca -0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2qls h ARG 40 Cb 1.04 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.12 2qls h ARG 40 CO 0.05 0.02 -0.20 0.74 0.10 0.00 0.00 179.97 180.68 2qls h PHE 41 N 0.03 0.00 -1.55 4.08 -1.00 -1.77 -3.25 116.94 113.48 2qls h PHE 41 Ca 0.81 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 61.00 2qls h PHE 41 Cb 3.06 0.00 -0.42 0.00 3.61 0.00 0.00 35.95 42.21 2qls h PHE 41 CO -0.00 0.00 -0.68 1.19 -1.61 0.00 0.00 178.31 177.21 2qls n PHE 42 N -2.39 3.42 -0.06 -0.55 3.01 -0.53 -4.79 117.46 115.57 2qls n PHE 42 Ca 0.04 -3.12 -0.08 0.00 1.01 0.00 0.00 57.45 55.30 2qls n PHE 42 Cb 0.46 -0.12 -0.01 0.00 -0.01 0.00 0.00 39.48 39.79 2qls n PHE 42 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2qls h ASP 43 N 2.60 0.08 0.00 4.37 -0.00 -1.59 -2.85 116.42 119.02 2qls h ASP 43 Ca 0.30 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.36 2qls h ASP 43 Cb 0.89 0.02 0.00 0.00 -0.00 0.00 0.00 39.33 40.24 2qls h ASP 43 CO 0.86 0.08 0.00 -1.54 -0.00 0.00 0.00 179.24 178.64 2qls n SER 44 N -5.05 0.00 -0.28 2.28 3.41 -1.26 -2.86 113.62 109.87 2qls n SER 44 Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.64 2qls n SER 44 Cb 0.09 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.65 0.00 0.00 7.33 0.99 -1.08 -5.07 117.46 118.99 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 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 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 0.60 0.94 3.66 1.37 0.00 -1.13 -4.77 105.19 105.87 2qls n GLY 46 Ca 0.04 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 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 6.80 0.00 1.61 3.68 -1.26 -4.83 116.67 118.66 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 -2.40 0.00 0.00 -1.45 0.00 0.00 42.92 39.07 2qls s ASP 47 CO 0.00 -0.36 0.16 0.18 0.13 0.00 0.00 175.17 175.28 2qls n LEU 48 N 5.28 0.32 0.28 -1.34 4.77 -1.26 -4.28 117.00 120.76 2qls n LEU 48 Ca 0.02 -0.44 0.18 0.00 -0.03 0.00 0.00 56.01 55.74 2qls n LEU 48 Cb 0.49 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.41 2qls n LEU 48 CO 0.46 0.08 1.03 0.77 -1.33 0.00 0.00 177.39 178.40 2qls h SER 49 N 0.00 0.00 -5.00 -1.43 4.64 -1.92 -3.36 113.55 106.48 2qls h SER 49 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 2qls h SER 49 Cb 0.12 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.01 2qls h SER 49 CO 0.00 0.00 -0.64 0.42 -0.87 0.00 0.00 176.83 175.74 2qls s THR 50 N -3.78 0.11 0.13 2.95 -4.23 -1.26 -5.02 115.64 104.54 2qls s THR 50 Ca -0.01 -0.92 -0.33 0.00 -1.18 0.00 0.00 61.69 59.26 2qls s THR 50 Cb 0.10 -0.41 -0.11 0.00 1.34 0.00 0.00 72.50 73.42 2qls s THR 50 CO 0.47 -0.50 1.55 -0.65 -0.54 0.00 0.00 174.62 174.94 2qls h PRO 51 N 4.42 -0.47 -0.98 3.99 0.11 -2.00 0.14 132.00 137.21 2qls h PRO 51 Ca -0.32 0.03 0.33 0.00 0.11 0.00 0.00 66.00 66.16 2qls h PRO 51 Cb 1.20 0.11 -0.16 0.00 0.11 0.00 0.00 31.00 32.25 2qls h PRO 51 CO 0.43 -0.31 0.43 -0.44 -0.21 0.00 0.00 178.00 177.90 2qls h ASP 52 N -0.49 0.23 -0.14 -2.05 3.32 -1.97 0.31 116.42 115.63 2qls h ASP 52 Ca 0.06 0.23 -0.19 0.00 0.02 0.00 0.00 57.03 57.14 2qls h ASP 52 Cb 0.64 0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.45 2qls h ASP 52 CO -0.52 -0.27 -0.65 0.00 -1.72 0.00 0.00 179.24 176.08 2qls h ALA 53 N 1.91 0.27 -0.26 3.45 0.00 -1.08 -2.14 119.26 121.41 2qls h ALA 53 Ca 0.72 -0.56 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2qls h ALA 53 Cb 1.71 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 2qls h ALA 53 CO -0.71 0.56 -0.34 0.28 0.00 0.00 0.00 179.25 179.04 2qls h VAL 54 N 0.39 0.23 0.00 0.00 2.07 -0.74 -1.00 116.25 117.20 2qls h VAL 54 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2qls h VAL 54 Cb 1.29 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2qls h VAL 54 CO 0.14 0.00 0.00 0.24 0.02 0.00 0.00 177.57 177.97 2qls h MET 55 N -0.34 0.00 -0.01 1.57 2.86 -0.31 -2.31 114.93 116.39 2qls h MET 55 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2qls h MET 55 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2qls h MET 55 CO -0.45 0.00 -0.24 -1.13 1.06 0.00 0.00 176.91 176.15 2qls n SER 56 N -2.31 1.60 -4.69 1.22 3.41 -0.81 -4.97 113.62 107.07 2qls n SER 56 Ca 0.02 -1.30 -0.42 0.00 -0.26 0.00 0.00 58.87 56.91 2qls n SER 56 Cb 0.24 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.61 6.86 0.22 4.04 3.84 -0.39 -4.92 114.94 122.98 2qls s ASN 57 Ca 0.12 2.09 0.11 0.00 0.21 0.00 0.00 52.86 55.39 2qls s ASN 57 Cb 0.11 -2.56 0.14 0.00 -0.55 0.00 0.00 41.25 38.39 2qls s ASN 57 CO 0.32 -0.71 1.48 0.00 -2.79 0.00 0.00 177.10 175.39 2qls h ALA 58 N 7.81 0.70 0.00 1.71 0.00 -1.90 -2.06 119.26 125.52 2qls h ALA 58 Ca -0.38 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 53.81 2qls h ALA 58 Cb 1.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2qls h ALA 58 CO 0.90 0.91 -0.26 0.87 0.00 0.00 0.00 179.25 181.68 2qls h LYS 59 N 0.00 0.00 0.03 0.00 1.79 -1.91 -2.08 116.57 114.39 2qls h LYS 59 Ca -0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2qls h LYS 59 Cb 1.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 2qls h LYS 59 CO 0.10 0.26 -0.01 0.28 -1.08 0.00 0.00 179.45 178.99 2qls h VAL 60 N 0.00 1.31 -0.78 0.50 2.07 -1.72 -1.70 116.25 115.94 2qls h VAL 60 Ca -0.00 -1.81 0.07 0.00 0.82 0.00 0.00 66.70 65.78 2qls h VAL 60 Cb 0.71 2.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.83 2qls h VAL 60 CO 0.03 0.42 0.46 0.11 0.02 0.00 0.00 177.57 178.61 2qls h LYS 61 N -0.92 0.81 -0.56 1.57 1.57 -1.50 -1.05 116.57 116.50 2qls h LYS 61 Ca -0.00 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 2qls h LYS 61 Cb 0.71 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2qls h LYS 61 CO 0.01 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 179.42 2qls h ALA 62 N 1.39 0.75 -0.52 3.86 0.00 -1.39 -2.51 119.26 120.84 2qls h ALA 62 Ca 0.35 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2qls h ALA 62 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2qls h ALA 62 CO -0.19 0.57 -0.02 1.25 0.00 0.00 0.00 179.25 180.86 2qls h HIS 63 N 0.86 0.97 -0.31 0.00 -0.00 -0.85 -3.23 115.15 112.60 2qls h HIS 63 Ca 0.16 -0.16 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2qls h HIS 63 Cb 0.54 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 2qls h HIS 63 CO 0.04 0.89 0.18 0.78 -0.00 0.00 0.00 177.93 179.82 2qls h GLY 64 N 0.99 0.46 -0.03 5.26 0.00 -0.90 0.10 103.07 108.95 2qls h GLY 64 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2qls h GLY 64 CO 0.03 0.19 -0.03 1.70 0.00 0.00 0.00 176.54 178.43 2qls h LYS 65 N 0.39 -0.02 -1.00 4.80 1.63 -1.47 -0.78 116.57 120.13 2qls h LYS 65 Ca 0.11 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 60.12 2qls h LYS 65 Cb 0.03 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 31.48 2qls h LYS 65 CO -0.02 -0.01 -0.21 0.87 -3.45 0.00 0.00 179.45 176.63 2qls h LYS 66 N -0.02 0.00 -0.35 1.90 6.56 -1.06 4.03 116.57 127.63 2qls h LYS 66 Ca 0.00 -0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.53 2qls h LYS 66 Cb 0.03 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.67 2qls h LYS 66 CO -0.03 0.00 -0.05 0.28 -2.06 0.00 0.00 179.45 177.58 2qls h VAL 67 N 0.00 1.22 0.05 0.50 2.07 -1.05 -2.47 116.25 116.57 2qls h VAL 67 Ca 0.50 -0.94 -0.23 0.00 0.82 0.00 0.00 66.70 66.85 2qls h VAL 67 Cb 0.81 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2qls h VAL 67 CO -1.01 0.32 -1.06 0.25 0.02 0.00 0.00 177.57 176.08 2qls h LEU 68 N 0.55 0.20 -1.76 2.57 7.12 0.92 -2.60 115.31 122.31 2qls h LEU 68 Ca 0.11 -0.21 -0.03 0.00 0.13 0.00 0.00 57.88 57.88 2qls h LEU 68 Cb 0.43 -0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.49 2qls h LEU 68 CO 0.02 1.13 -0.16 0.78 -0.13 0.00 0.00 178.44 180.08 2qls h ASN 69 N 0.05 0.00 0.48 1.25 2.35 -0.63 0.21 115.58 119.29 2qls h ASN 69 Ca -0.06 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.40 2qls h ASN 69 Cb 1.79 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.17 2qls h ASN 69 CO 0.16 0.16 -1.28 0.28 -1.65 0.00 0.00 177.43 175.09 2qls h SER 70 N 0.00 0.58 -0.40 5.81 0.02 -1.28 -2.58 113.55 115.70 2qls h SER 70 Ca -0.00 -0.60 -0.08 0.00 -0.84 0.00 0.00 61.79 60.27 2qls h SER 70 Cb 0.40 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2qls h SER 70 CO 0.02 1.46 -0.04 -0.26 -1.14 0.00 0.00 176.83 176.87 2qls h PHE 71 N 0.12 0.87 -0.26 3.45 -1.00 -0.62 -2.41 116.94 117.08 2qls h PHE 71 Ca -0.17 -0.14 0.04 0.00 2.81 0.00 0.00 57.97 60.52 2qls h PHE 71 Cb 1.99 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 41.30 2qls h PHE 71 CO 0.08 0.82 0.18 0.77 -1.61 0.00 0.00 178.31 178.56 2qls h SER 72 N 0.75 0.15 0.00 2.17 0.02 -1.06 -1.35 113.55 114.23 2qls h SER 72 Ca 0.14 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2qls h SER 72 Cb 0.51 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2qls h SER 72 CO 0.03 0.10 -0.00 0.44 -1.14 0.00 0.00 176.83 176.26 2qls h ASP 73 N 0.17 -0.00 -0.83 3.07 3.45 -1.25 -2.83 116.42 118.20 2qls h ASP 73 Ca 0.12 -0.72 0.20 0.00 0.43 0.00 0.00 57.03 57.05 2qls h ASP 73 Cb 0.25 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 38.89 2qls h ASP 73 CO -0.02 0.73 0.26 1.23 -1.57 0.00 0.00 179.24 179.87 2qls h GLY 74 N -0.74 1.28 0.47 2.75 0.00 -0.80 -1.74 103.07 104.29 2qls h GLY 74 Ca -0.00 -0.07 0.20 0.00 0.00 0.00 0.00 47.33 47.45 2qls h GLY 74 CO 0.00 -0.27 0.55 1.41 0.00 0.00 0.00 176.54 178.23 2qls h LEU 75 N 0.29 0.24 -0.44 3.11 4.07 -1.24 -1.66 115.31 119.68 2qls h LEU 75 Ca 0.50 0.02 -0.15 0.00 0.08 0.00 0.00 57.88 58.33 2qls h LEU 75 Cb 0.94 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 2qls h LEU 75 CO -0.57 0.11 -0.73 0.11 -1.08 0.00 0.00 178.44 176.28 2qls h LYS 76 N 0.25 0.00 -2.19 1.13 1.79 -1.07 -3.33 116.57 113.15 2qls h LYS 76 Ca 0.40 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.28 2qls h LYS 76 Cb 1.19 0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 31.42 2qls h LYS 76 CO -0.10 0.73 -0.64 0.09 -1.08 0.00 0.00 179.45 178.45 2qls n ASN 77 N -3.56 3.63 0.23 0.86 5.03 -0.67 -4.77 115.26 116.02 2qls n ASN 77 Ca -0.00 -3.44 0.11 0.00 0.87 0.00 0.00 54.58 52.12 2qls n ASN 77 Cb 0.73 -0.65 0.53 0.00 -1.02 0.00 0.00 39.78 39.37 2qls n ASN 77 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2qls h LEU 78 N 3.92 0.00 -0.10 3.41 3.38 -1.56 -2.80 115.31 121.55 2qls h LEU 78 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2qls h LEU 78 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2qls h LEU 78 CO 0.81 0.19 -0.05 0.47 0.09 0.00 0.00 178.44 179.94 2qls n ASP 79 N -3.41 0.22 -2.79 -0.43 8.00 -1.26 -4.13 116.55 112.74 2qls n ASP 79 Ca -0.00 -0.39 -0.11 0.00 0.71 0.00 0.00 54.79 54.99 2qls n ASP 79 Cb 0.39 -0.17 0.02 0.00 -0.02 0.00 0.00 41.12 41.34 2qls n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2qls n ASN 80 N -1.12 1.09 -0.15 -2.24 5.15 -1.06 -4.93 115.26 112.00 2qls n ASN 80 Ca 0.15 -2.79 -0.04 0.00 -0.60 0.00 0.00 54.58 51.30 2qls n ASN 80 Cb 0.25 -0.45 0.05 0.00 -0.53 0.00 0.00 39.78 39.11 2qls n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2qls h LEU 81 N 2.96 0.16 -0.94 1.20 4.07 -1.70 -2.72 115.31 118.34 2qls h LEU 81 Ca -0.06 0.06 0.11 0.00 0.08 0.00 0.00 57.88 58.07 2qls h LEU 81 Cb 1.13 0.05 -0.13 0.00 1.08 0.00 0.00 40.66 42.79 2qls h LEU 81 CO 0.47 0.12 -0.47 0.29 -1.08 0.00 0.00 178.44 177.77 2qls n LYS 82 N -5.01 -0.33 0.42 1.13 5.02 -1.26 -2.25 118.16 115.87 2qls n LYS 82 Ca 0.04 1.43 -0.19 0.00 -2.02 0.00 0.00 58.31 57.58 2qls n LYS 82 Cb 0.19 -2.11 -0.09 0.00 -0.02 0.00 0.00 35.03 32.99 2qls n LYS 82 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2qls h GLY 83 N 0.00 -1.09 -1.19 0.72 0.00 -1.94 -1.50 103.07 98.06 2qls h GLY 83 Ca 0.23 0.41 0.46 0.00 0.00 0.00 0.00 47.33 48.42 2qls h GLY 83 CO -0.90 -0.40 1.06 -0.84 0.00 0.00 0.00 176.54 175.46 2qls h THR 84 N -1.04 0.17 0.00 4.70 2.02 -1.25 -1.83 112.91 115.69 2qls h THR 84 Ca -0.11 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2qls h THR 84 Cb 0.80 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2qls h THR 84 CO 0.17 0.01 -0.02 0.49 0.37 0.00 0.00 175.52 176.54 2qls n PHE 85 N -4.27 0.00 -0.24 3.16 3.01 -0.96 -4.73 117.46 113.43 2qls n PHE 85 Ca 0.36 -0.39 -0.01 0.00 1.01 0.00 0.00 57.45 58.42 2qls n PHE 85 Cb 1.58 -0.05 0.05 0.00 -0.01 0.00 0.00 39.48 41.05 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 0.00 0.26 -0.29 4.37 0.00 -0.37 0.18 119.26 123.41 2qls h ALA 86 Ca 0.00 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2qls h ALA 86 Cb 0.73 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2qls h ALA 86 CO 0.00 -0.53 0.01 0.87 0.00 0.00 0.00 179.25 179.60 2qls h LYS 87 N -0.07 0.51 -0.66 0.00 1.57 -1.85 -1.28 116.57 114.79 2qls h LYS 87 Ca 0.31 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2qls h LYS 87 Cb 0.55 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 2qls h LYS 87 CO -0.75 0.65 0.32 -0.07 -0.57 0.00 0.00 179.45 179.04 2qls h LEU 88 N 0.30 0.85 -0.96 2.94 3.38 -1.84 -1.60 115.31 118.37 2qls h LEU 88 Ca 0.08 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.06 2qls h LEU 88 Cb 0.42 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 2qls h LEU 88 CO 0.01 0.71 0.60 -1.28 0.09 0.00 0.00 178.44 178.58 2qls h SER 89 N 0.94 0.91 0.28 -0.43 0.87 -0.47 -1.84 113.55 113.80 2qls h SER 89 Ca 0.23 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 2qls h SER 89 Cb 0.09 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2qls h SER 89 CO -0.03 0.52 -0.53 -0.08 -0.53 0.00 0.00 176.83 176.19 2qls h GLU 90 N 1.01 0.27 0.31 2.24 4.81 -0.30 -1.12 114.58 121.80 2qls h GLU 90 Ca 0.45 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 2qls h GLU 90 Cb 0.36 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2qls h GLU 90 CO -0.23 0.73 -0.15 1.25 -0.73 0.00 0.00 179.01 179.88 2qls h LEU 91 N 0.21 -0.35 -0.91 1.64 5.85 -0.96 0.27 115.31 121.07 2qls h LEU 91 Ca 0.01 -0.01 0.23 0.00 0.84 0.00 0.00 57.88 58.95 2qls h LEU 91 Cb 1.00 0.09 -0.17 0.00 0.37 0.00 0.00 40.66 41.95 2qls h LEU 91 CO 0.08 0.10 -0.06 1.41 -0.34 0.00 0.00 178.44 179.64 2qls n HIS 92 N -5.05 0.50 0.09 1.25 8.25 -0.73 0.34 115.22 119.87 2qls n HIS 92 Ca -0.05 1.11 -0.01 0.00 -0.26 0.00 0.00 57.72 58.50 2qls n HIS 92 Cb 0.17 -1.14 -0.05 0.00 1.12 0.00 0.00 29.99 30.10 2qls n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qls n ASP 94 N -3.17 1.95 -0.10 0.00 9.92 0.95 -3.98 116.55 122.13 2qls n ASP 94 Ca -0.02 0.29 -0.15 0.00 -0.53 0.00 0.00 54.79 54.38 2qls n ASP 94 Cb 0.83 -0.80 -0.14 0.00 -0.64 0.00 0.00 41.12 40.37 2qls n ASP 94 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2qls n LYS 95 N -4.12 0.67 -0.04 -1.24 4.76 0.15 -4.53 118.16 113.82 2qls n LYS 95 Ca -0.47 0.12 -0.21 0.00 -2.87 0.00 0.00 58.31 54.87 2qls n LYS 95 Cb 0.86 -1.56 -0.13 0.00 -1.84 0.00 0.00 35.03 32.36 2qls n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qls n LEU 96 N -3.09 2.52 -2.48 -0.35 4.77 -0.41 -5.04 117.00 112.92 2qls n LEU 96 Ca -0.37 0.20 -0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2qls n LEU 96 Cb 1.06 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2qls n LEU 96 CO 0.36 0.76 0.21 1.41 -1.33 0.00 0.00 177.39 178.79 2qls n HIS 97 N -3.65 -1.86 -3.80 -1.77 8.25 0.10 -5.02 115.22 107.47 2qls n HIS 97 Ca -0.35 0.71 -0.36 0.00 -0.26 0.00 0.00 57.72 57.46 2qls n HIS 97 Cb 0.97 -3.16 -0.13 0.00 1.12 0.00 0.00 29.99 28.79 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 -3.01 4.22 0.37 1.59 1.01 -0.96 -5.04 120.40 118.58 2qls s VAL 98 Ca 0.01 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 2qls s VAL 98 Cb -0.00 -2.96 -0.10 0.00 0.00 0.00 0.00 36.38 33.32 2qls s VAL 98 CO 0.47 0.36 1.33 -0.62 0.00 0.00 0.00 175.10 176.64 2qls s ASP 99 N 1.52 6.51 0.46 3.32 2.15 -1.26 -4.83 116.67 124.54 2qls s ASP 99 Ca 0.06 2.73 0.14 0.00 0.43 0.00 0.00 52.55 55.91 2qls s ASP 99 Cb -0.15 -2.65 1.06 0.00 -0.30 0.00 0.00 42.92 40.89 2qls s ASP 99 CO 0.03 -0.72 2.04 -0.65 -0.17 0.00 0.00 175.17 175.70 2qls h PRO 100 N 3.02 0.04 -1.26 4.34 0.11 -1.98 -1.32 132.00 134.95 2qls h PRO 100 Ca -0.49 -0.01 0.37 0.00 0.11 0.00 0.00 66.00 65.98 2qls h PRO 100 Cb 1.24 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 2qls h PRO 100 CO 0.64 0.15 1.18 -1.91 -0.21 0.00 0.00 178.00 177.85 2qls n GLU 101 N -4.39 0.01 0.08 1.05 4.07 -1.26 0.78 120.64 120.97 2qls n GLU 101 Ca -0.02 0.95 0.03 0.00 -0.06 0.00 0.00 57.16 58.06 2qls n GLU 101 Cb 0.19 -2.29 -0.03 0.00 -0.06 0.00 0.00 31.44 29.25 2qls n GLU 101 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 2qls h ASN 102 N 0.00 0.00 0.54 4.31 -0.26 -1.58 -2.16 115.58 116.43 2qls h ASN 102 Ca 0.60 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 56.30 2qls h ASN 102 Cb 2.96 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 40.21 2qls h ASN 102 CO -0.01 0.43 -0.17 -0.26 -1.06 0.00 0.00 177.43 176.36 2qls h PHE 103 N 0.00 0.00 0.07 1.19 0.04 0.23 -1.10 116.94 117.36 2qls h PHE 103 Ca -0.09 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.42 2qls h PHE 103 Cb 1.41 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.54 2qls h PHE 103 CO 0.00 0.17 -1.31 0.87 -0.60 0.00 0.00 178.31 177.44 2qls h LYS 104 N 0.00 0.14 0.08 1.51 1.57 -1.38 -2.39 116.57 116.10 2qls h LYS 104 Ca -0.00 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2qls h LYS 104 Cb 0.49 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2qls h LYS 104 CO 0.02 1.02 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.81 2qls h LEU 105 N 0.04 -0.09 -0.96 2.94 3.38 -1.47 -0.11 115.31 119.04 2qls h LEU 105 Ca -0.14 -0.35 0.21 0.00 0.09 0.00 0.00 57.88 57.69 2qls h LEU 105 Cb 1.92 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 42.58 2qls h LEU 105 CO 0.15 0.31 0.53 0.25 0.09 0.00 0.00 178.44 179.77 2qls h LEU 106 N -0.51 0.61 0.67 1.67 5.85 -1.25 0.10 115.31 122.45 2qls h LEU 106 Ca -0.01 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2qls h LEU 106 Cb 0.43 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2qls h LEU 106 CO 0.02 0.15 -0.37 1.23 -0.34 0.00 0.00 178.44 179.13 2qls h GLY 107 N 0.60 -1.03 -0.56 3.75 0.00 -1.34 -1.93 103.07 102.56 2qls h GLY 107 Ca 0.58 0.41 0.34 0.00 0.00 0.00 0.00 47.33 48.66 2qls h GLY 107 CO -0.44 -0.37 0.77 3.43 0.00 0.00 0.00 176.54 179.93 2qls h ASN 108 N -0.97 0.31 0.50 0.19 -0.26 -0.32 -0.94 115.58 114.09 2qls h ASN 108 Ca -0.09 0.09 -0.27 0.00 -0.56 0.00 0.00 56.30 55.47 2qls h ASN 108 Cb 0.76 0.05 0.01 0.00 -1.06 0.00 0.00 38.32 38.09 2qls h ASN 108 CO 0.11 -0.03 -1.20 -0.37 -1.06 0.00 0.00 177.43 174.88 2qls h VAL 109 N 0.23 1.44 -0.81 2.81 -1.51 -0.63 -2.40 116.25 115.38 2qls h VAL 109 Ca 0.68 -2.85 0.13 0.00 -1.23 0.00 0.00 66.70 63.43 2qls h VAL 109 Cb 2.04 2.83 -0.09 0.00 -2.13 0.00 0.00 31.29 33.94 2qls h VAL 109 CO -0.30 0.84 0.42 0.25 -1.23 0.00 0.00 177.57 177.54 2qls h LEU 110 N 0.13 0.52 -0.94 4.19 6.46 -1.06 0.77 115.31 125.38 2qls h LEU 110 Ca -0.14 0.08 0.15 0.00 -0.12 0.00 0.00 57.88 57.85 2qls h LEU 110 Cb 1.90 -0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 41.74 2qls h LEU 110 CO 0.21 0.25 0.55 0.58 -0.62 0.00 0.00 178.44 179.40 2qls h VAL 111 N 0.63 0.79 0.00 1.05 2.07 -0.68 -0.95 116.25 119.16 2qls h VAL 111 Ca 0.43 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 2qls h VAL 111 Cb 0.55 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2qls h VAL 111 CO -0.33 0.14 -0.32 0.00 0.02 0.00 0.00 177.57 177.08 2qls h VAL 113 N 0.00 1.29 -0.73 0.00 2.07 -0.63 -0.20 116.25 118.05 2qls h VAL 113 Ca -0.00 -2.84 -0.03 0.00 0.82 0.00 0.00 66.70 64.66 2qls h VAL 113 Cb 0.83 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 33.48 2qls h VAL 113 CO 0.04 0.85 0.35 -0.07 0.02 0.00 0.00 177.57 178.76 2qls h LEU 114 N 0.10 0.94 0.02 2.57 3.38 -0.90 -2.35 115.31 119.07 2qls h LEU 114 Ca -0.22 -0.10 -0.25 0.00 0.09 0.00 0.00 57.88 57.40 2qls h LEU 114 Cb 2.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.57 2qls h LEU 114 CO 0.21 0.79 -1.14 0.00 0.09 0.00 0.00 178.44 178.40 2qls h ALA 115 N 1.36 0.20 -0.78 1.53 0.00 -1.42 -0.27 119.26 119.87 2qls h ALA 115 Ca 0.25 -0.84 0.14 0.00 0.00 0.00 0.00 54.91 54.46 2qls h ALA 115 Cb 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2qls h ALA 115 CO -0.03 0.96 0.52 1.25 0.00 0.00 0.00 179.25 181.94 2qls h HIS 116 N 0.10 0.60 0.11 0.00 -0.00 -0.84 -0.42 115.15 114.71 2qls h HIS 116 Ca -0.11 0.02 -0.36 0.00 -0.00 0.00 0.00 60.37 59.92 2qls h HIS 116 Cb 1.84 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 29.04 2qls h HIS 116 CO 0.06 0.24 -1.97 0.72 -0.00 0.00 0.00 177.93 176.98 2qls n HIS 117 N -4.50 1.21 0.62 5.26 -0.00 -0.27 -4.34 115.22 113.20 2qls n HIS 117 Ca 0.15 0.27 0.11 0.00 -0.00 0.00 0.00 57.72 58.25 2qls n HIS 117 Cb 0.48 -1.16 0.07 0.00 -0.00 0.00 0.00 29.99 29.38 2qls n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2qls n PHE 118 N -3.55 0.29 0.00 4.41 3.01 -0.28 -5.01 117.46 116.33 2qls n PHE 118 Ca -0.32 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.22 2qls n PHE 118 Cb 1.02 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 2qls n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qls n GLY 119 N 1.38 2.36 0.18 1.37 0.00 -0.17 -2.75 105.19 107.56 2qls n GLY 119 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.07 -1.43 1.61 1.79 -1.95 -1.58 116.57 115.08 2qls h LYS 120 Ca 0.00 -0.03 0.44 0.00 -2.18 0.00 0.00 60.65 58.87 2qls h LYS 120 Cb 0.00 -0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.55 2qls h LYS 120 CO 0.00 0.50 0.97 0.93 -1.08 0.00 0.00 179.45 180.77 2qls h GLU 121 N 0.06 0.08 -2.65 3.15 5.08 -1.93 -3.03 114.58 115.33 2qls h GLU 121 Ca 0.00 -0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 2qls h GLU 121 Cb 0.81 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2qls h GLU 121 CO 0.06 0.05 1.71 0.34 -1.00 0.00 0.00 179.01 180.17 2qls n PHE 122 N -4.42 1.11 -0.83 4.33 7.35 -0.59 -4.88 117.46 119.52 2qls n PHE 122 Ca 0.36 -2.08 -0.33 0.00 -0.76 0.00 0.00 57.45 54.64 2qls n PHE 122 Cb 1.49 -1.87 0.12 0.00 0.35 0.00 0.00 39.48 39.57 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 3.19 0.26 -0.34 -2.13 -2.24 -1.15 -4.58 114.28 107.29 2qls n THR 123 Ca 0.54 -0.18 0.22 0.00 -2.27 0.00 0.00 64.05 62.36 2qls n THR 123 Cb 0.49 -0.72 0.46 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.48 0.43 0.14 -0.78 0.11 -1.94 0.95 132.00 129.44 2qls h PRO 124 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qls h PRO 124 Cb 1.29 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2qls h PRO 124 CO 0.37 0.28 -0.12 1.96 -0.21 0.00 0.00 178.00 180.28 2qls h GLN 125 N 0.44 -0.27 -0.45 1.05 7.50 -1.98 -1.84 115.11 119.56 2qls h GLN 125 Ca 0.65 0.02 -0.06 0.00 0.50 0.00 0.00 58.65 59.76 2qls h GLN 125 Cb 1.49 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 29.06 2qls h GLN 125 CO -0.42 -0.18 0.05 0.28 -1.50 0.00 0.00 178.83 177.06 2qls h VAL 126 N -0.28 1.22 -0.27 -0.54 2.07 -0.76 -2.89 116.25 114.80 2qls h VAL 126 Ca -0.00 -0.86 -0.15 0.00 0.82 0.00 0.00 66.70 66.51 2qls h VAL 126 Cb 0.26 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2qls h VAL 126 CO -0.02 0.31 -0.43 -0.61 0.02 0.00 0.00 177.57 176.84 2qls h GLN 127 N 0.68 0.68 -0.27 1.57 4.15 0.11 -2.88 115.11 119.16 2qls h GLN 127 Ca 0.14 -0.37 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 2qls h GLN 127 Cb 0.35 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2qls h GLN 127 CO 0.01 0.98 0.04 0.00 -1.93 0.00 0.00 178.83 177.93 2qls h ALA 128 N 0.96 0.36 -0.21 3.38 0.00 -1.23 0.15 119.26 122.67 2qls h ALA 128 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2qls h ALA 128 Cb 0.97 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 2qls h ALA 128 CO 0.09 0.05 -0.51 0.00 0.00 0.00 0.00 179.25 178.88 2qls h ALA 129 N 0.86 -0.83 -0.06 0.00 0.00 -1.50 -2.73 119.26 115.01 2qls h ALA 129 Ca 0.08 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2qls h ALA 129 Cb 0.34 1.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2qls h ALA 129 CO 0.01 -1.03 0.06 1.88 0.00 0.00 0.00 179.25 180.16 2qls h TYR 130 N -0.49 0.00 0.00 0.00 0.05 -1.21 -0.33 116.97 114.99 2qls h TYR 130 Ca 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 2qls h TYR 130 Cb 0.61 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.34 2qls h TYR 130 CO -0.63 0.00 -0.05 1.96 -1.05 0.00 0.00 178.16 178.39 2qls h GLN 131 N 0.00 0.00 0.06 4.88 1.08 -0.40 0.29 115.11 121.02 2qls h GLN 131 Ca 0.03 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.88 2qls h GLN 131 Cb 0.14 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.53 2qls h GLN 131 CO -0.00 0.05 -2.01 1.63 -0.95 0.00 0.00 178.83 177.55 2qls n LYS 132 N -3.44 0.70 -0.02 1.46 5.02 -0.18 -1.66 118.16 120.05 2qls n LYS 132 Ca -0.02 0.23 -0.12 0.00 -2.02 0.00 0.00 58.31 56.38 2qls n LYS 132 Cb 0.18 -1.69 -0.07 0.00 -0.02 0.00 0.00 35.03 33.42 2qls n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qls h VAL 133 N 0.03 1.22 -0.34 -0.18 2.07 -0.91 0.17 116.25 118.31 2qls h VAL 133 Ca -0.41 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.47 2qls h VAL 133 Cb 2.03 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 2qls h VAL 133 CO 0.06 0.19 0.15 0.58 0.02 0.00 0.00 177.57 178.56 2qls h VAL 134 N -0.11 0.96 0.12 2.57 2.07 -0.55 0.06 116.25 121.36 2qls h VAL 134 Ca 0.02 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2qls h VAL 134 Cb 0.28 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2qls h VAL 134 CO 0.00 0.06 -0.07 0.00 0.02 0.00 0.00 177.57 177.58 2qls h ALA 135 N 1.19 -0.17 -0.70 1.67 0.00 -1.36 -2.36 119.26 117.52 2qls h ALA 135 Ca 0.14 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2qls h ALA 135 Cb 0.08 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 2qls h ALA 135 CO -0.12 -0.60 -0.34 0.41 0.00 0.00 0.00 179.25 178.60 2qls n GLY 136 N -1.17 -1.63 0.22 0.00 0.00 0.58 -1.61 105.19 101.58 2qls n GLY 136 Ca -0.08 0.81 -0.16 0.00 0.00 0.00 0.00 46.02 46.59 2qls n GLY 136 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qls h VAL 137 N 0.00 1.29 -0.49 1.61 2.07 -0.72 -2.53 116.25 117.49 2qls h VAL 137 Ca 0.18 -1.97 0.02 0.00 0.82 0.00 0.00 66.70 65.75 2qls h VAL 137 Cb 0.36 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2qls h VAL 137 CO -0.68 0.62 0.30 0.00 0.02 0.00 0.00 177.57 177.83 2qls h ALA 138 N 0.62 0.62 -1.23 1.67 0.00 -0.93 -1.07 119.26 118.93 2qls h ALA 138 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qls h ALA 138 Cb 1.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2qls h ALA 138 CO 0.15 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.50 2qls n ASN 139 N -4.80 0.00 -0.30 0.00 3.02 -0.64 -2.32 115.26 110.23 2qls n ASN 139 Ca 0.03 0.77 0.26 0.00 -0.03 0.00 0.00 54.58 55.61 2qls n ASN 139 Cb 0.06 -0.28 0.49 0.00 -0.61 0.00 0.00 39.78 39.43 2qls n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qls n ALA 140 N -2.14 0.85 0.22 5.41 0.00 -0.96 -0.90 120.51 122.99 2qls n ALA 140 Ca 0.00 0.96 0.11 0.00 0.00 0.00 0.00 53.44 54.52 2qls n ALA 140 Cb 0.00 -0.90 0.24 0.00 0.00 0.00 0.00 19.45 18.79 2qls n ALA 140 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2qls h LEU 141 N 0.00 0.00 -0.35 0.00 3.38 -1.17 -2.85 115.31 114.32 2qls h LEU 141 Ca 0.74 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.71 2qls h LEU 141 Cb 1.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.63 2qls h LEU 141 CO -0.75 0.08 -0.30 0.00 0.09 0.00 0.00 178.44 177.55 2qls n ALA 142 N -2.12 3.16 -0.33 1.53 0.00 -0.08 -4.38 120.51 118.29 2qls n ALA 142 Ca 0.03 -0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.22 2qls n ALA 142 Cb 0.52 -1.15 0.31 0.00 0.00 0.00 0.00 19.45 19.13 2qls n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2qls h HIS 143 N 0.84 0.92 0.00 0.00 6.17 -1.15 -1.45 115.15 120.47 2qls h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 2qls h HIS 143 Cb 0.49 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 30.16 2qls h HIS 143 CO 0.00 0.14 0.00 1.63 0.71 0.00 0.00 177.93 180.41 2qls n LYS 144 N -4.86 0.00 0.00 5.26 4.76 -1.26 0.25 118.16 122.31 2qls n LYS 144 Ca 0.22 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 2qls n LYS 144 Cb 0.59 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 2qls n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2qls n TYR 145 N -0.64 0.00 0.36 2.13 4.01 -0.55 -5.00 117.16 117.47 2qls n TYR 145 Ca 0.00 -0.18 0.04 0.00 -0.16 0.00 0.00 57.90 57.60 2qls n TYR 145 Cb 0.00 -0.02 0.04 0.00 -0.31 0.00 0.00 39.34 39.05 2qls n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12