#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qls n LEU 2 N 0.00 -1.94 -4.88 7.52 4.77 -1.26 -5.06 117.00 116.15 2qls n LEU 2 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 2qls n LEU 2 Cb 0.00 -0.97 0.04 0.00 -2.33 0.00 0.00 43.42 40.16 2qls n LEU 2 CO 0.00 0.00 0.73 -0.94 -1.33 0.00 0.00 177.39 175.85 2qls s SER 3 N -0.14 5.58 0.29 -1.43 1.04 -1.26 -4.88 113.70 112.90 2qls s SER 3 Ca 0.00 1.13 0.11 0.00 0.48 0.00 0.00 55.95 57.68 2qls s SER 3 Cb 0.00 -1.99 0.94 0.00 0.10 0.00 0.00 66.02 65.07 2qls s SER 3 CO 0.00 -1.24 1.34 -2.65 0.98 0.00 0.00 173.24 171.67 2qls n PRO 4 N -2.93 -0.06 -0.08 4.02 -0.02 -1.26 -1.18 135.00 133.49 2qls n PRO 4 Ca 0.07 1.22 -0.12 0.00 -2.02 0.00 0.00 63.50 62.64 2qls n PRO 4 Cb 0.57 -2.08 -0.05 0.00 -0.02 0.00 0.00 33.50 31.92 2qls n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qls h ALA 5 N 1.70 0.31 -0.37 3.55 0.00 -1.98 -0.43 119.26 122.05 2qls h ALA 5 Ca 0.64 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.35 2qls h ALA 5 Cb 1.56 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 2qls h ALA 5 CO -0.72 0.13 -0.11 -0.44 0.00 0.00 0.00 179.25 178.11 2qls h ASP 6 N 0.17 -0.40 1.10 0.00 3.45 -1.52 0.11 116.42 119.33 2qls h ASP 6 Ca 0.05 0.12 -0.11 0.00 0.43 0.00 0.00 57.03 57.52 2qls h ASP 6 Cb 0.55 0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.55 2qls h ASP 6 CO 0.03 -0.14 -0.53 0.11 -1.57 0.00 0.00 179.24 177.14 2qls h LYS 7 N -0.03 0.00 -0.53 3.56 1.57 -1.11 1.02 116.57 121.05 2qls h LYS 7 Ca 0.18 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 2qls h LYS 7 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2qls h LYS 7 CO -0.39 0.53 -0.04 1.15 -0.57 0.00 0.00 179.45 180.13 2qls h THR 8 N 0.00 1.26 -0.22 -0.16 2.02 -0.74 0.04 112.91 115.11 2qls h THR 8 Ca -0.01 -1.13 -0.14 0.00 0.77 0.00 0.00 66.41 65.90 2qls h THR 8 Cb 1.22 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2qls h THR 8 CO 0.07 0.40 -0.46 0.78 0.37 0.00 0.00 175.52 176.68 2qls h ASN 9 N 0.84 0.60 0.40 4.18 -0.26 0.20 -1.62 115.58 119.93 2qls h ASN 9 Ca 0.15 -0.29 -0.02 0.00 -0.56 0.00 0.00 56.30 55.58 2qls h ASN 9 Cb 0.55 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 2qls h ASN 9 CO 0.03 0.97 -0.19 0.40 -1.06 0.00 0.00 177.43 177.58 2qls h ILE 10 N 0.45 0.36 -0.85 2.81 2.04 0.13 -3.01 117.51 119.45 2qls h ILE 10 Ca 0.03 -0.63 0.20 0.00 1.00 0.00 0.00 64.86 65.46 2qls h ILE 10 Cb 0.98 0.56 -0.15 0.00 -0.74 0.00 0.00 36.82 37.47 2qls h ILE 10 CO 0.09 0.08 -0.01 0.11 0.00 0.00 0.00 178.15 178.42 2qls h LYS 11 N -1.00 0.07 -0.11 2.37 1.57 -1.04 -1.89 116.57 116.54 2qls h LYS 11 Ca -0.06 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 2qls h LYS 11 Cb 0.54 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2qls h LYS 11 CO 0.09 0.04 -0.51 1.03 -0.57 0.00 0.00 179.45 179.54 2qls h SER 12 N 0.07 0.32 0.76 0.86 0.87 -1.38 -1.52 113.55 113.53 2qls h SER 12 Ca 0.47 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.74 2qls h SER 12 Cb 0.87 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2qls h SER 12 CO -0.77 0.78 -0.66 0.74 -0.53 0.00 0.00 176.83 176.38 2qls h THR 13 N 0.23 1.40 0.00 2.23 2.02 -1.28 -2.54 112.91 114.98 2qls h THR 13 Ca 0.01 -2.32 -0.17 0.00 0.77 0.00 0.00 66.41 64.71 2qls h THR 13 Cb 0.98 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 69.64 2qls h THR 13 CO 0.08 0.65 -0.85 -0.25 0.37 0.00 0.00 175.52 175.52 2qls h TRP 14 N 0.00 0.00 -0.48 3.16 2.91 -1.10 -0.25 115.95 120.18 2qls h TRP 14 Ca -0.01 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.03 2qls h TRP 14 Cb 1.22 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.84 2qls h TRP 14 CO 0.00 0.75 0.29 -0.44 -1.03 0.00 0.00 178.44 178.01 2qls h ASP 15 N 0.00 0.48 0.49 2.65 3.45 -1.18 -2.39 116.42 119.92 2qls h ASP 15 Ca -0.03 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.35 2qls h ASP 15 Cb 1.60 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 40.26 2qls h ASP 15 CO 0.09 0.34 -0.36 0.11 -1.57 0.00 0.00 179.24 177.86 2qls h LYS 16 N 0.59 0.00 0.00 3.56 1.57 -1.01 -1.23 116.57 120.05 2qls h LYS 16 Ca 0.19 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2qls h LYS 16 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2qls h LYS 16 CO -0.08 0.36 -0.12 0.82 -0.57 0.00 0.00 179.45 179.86 2qls h ILE 17 N 0.00 0.37 0.00 1.86 2.04 -0.72 -3.46 117.51 117.60 2qls h ILE 17 Ca -0.00 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2qls h ILE 17 Cb 0.70 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2qls h ILE 17 CO 0.05 0.12 0.00 0.61 0.00 0.00 0.00 178.15 178.93 2qls n GLY 18 N -0.19 0.00 0.00 5.37 0.00 -0.47 -0.47 105.19 109.43 2qls n GLY 18 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2qls n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qls n GLY 19 N 0.00 -0.75 0.80 -0.02 0.00 -1.26 -2.52 105.19 101.44 2qls n GLY 19 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2qls n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qls n HIS 20 N -1.25 0.00 -0.04 1.61 8.25 0.38 -4.41 115.22 119.76 2qls n HIS 20 Ca 0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.46 2qls n HIS 20 Cb 0.11 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 2qls n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qls h ALA 21 N 4.51 -0.10 -0.26 -1.41 0.00 -1.59 -0.20 119.26 120.20 2qls h ALA 21 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2qls h ALA 21 Cb 0.87 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2qls h ALA 21 CO 0.00 -0.65 -0.39 0.78 0.00 0.00 0.00 179.25 178.99 2qls h GLY 22 N -0.23 0.67 2.00 0.00 0.00 -1.85 -0.37 103.07 103.29 2qls h GLY 22 Ca 0.13 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 2qls h GLY 22 CO -0.37 0.59 -0.09 -0.55 0.00 0.00 0.00 176.54 176.12 2qls h ASP 23 N 0.51 0.00 0.18 0.19 3.32 -1.50 -2.80 116.42 116.31 2qls h ASP 23 Ca 0.05 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.77 2qls h ASP 23 Cb 0.89 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.46 2qls h ASP 23 CO 0.08 0.09 -1.57 1.88 -1.72 0.00 0.00 179.24 178.00 2qls h TYR 24 N 0.00 0.70 -0.22 4.55 0.99 0.54 -2.86 116.97 120.67 2qls h TYR 24 Ca -0.00 -0.51 0.06 0.00 2.00 0.00 0.00 58.73 60.27 2qls h TYR 24 Cb 0.41 -0.03 -0.06 0.00 1.00 0.00 0.00 36.73 38.05 2qls h TYR 24 CO 0.00 1.61 -0.19 0.78 -0.00 0.00 0.00 178.16 180.36 2qls h GLY 25 N 0.37 -0.06 1.80 3.88 0.00 -1.12 0.36 103.07 108.30 2qls h GLY 25 Ca -0.31 0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2qls h GLY 25 CO 0.17 -0.18 -0.09 -1.33 0.00 0.00 0.00 176.54 175.11 2qls h GLY 26 N -0.19 0.27 0.90 4.60 0.00 -1.61 -2.75 103.07 104.28 2qls h GLY 26 Ca 0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 2qls h GLY 26 CO -0.34 0.14 -0.00 -2.09 0.00 0.00 0.00 176.54 174.25 2qls h GLU 27 N 0.24 0.57 -0.55 4.80 4.81 -1.21 -2.60 114.58 120.64 2qls h GLU 27 Ca 0.05 -0.18 0.11 0.00 -0.13 0.00 0.00 59.36 59.21 2qls h GLU 27 Cb 0.31 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.55 2qls h GLU 27 CO 0.02 0.70 -0.02 0.00 -0.73 0.00 0.00 179.01 178.98 2qls h ALA 28 N 0.85 0.51 -0.88 2.92 0.00 -0.15 0.98 119.26 123.48 2qls h ALA 28 Ca 0.09 0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.33 2qls h ALA 28 Cb 0.45 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 2qls h ALA 28 CO 0.02 -0.40 0.48 -0.07 0.00 0.00 0.00 179.25 179.28 2qls h LEU 29 N 0.09 0.61 0.92 0.00 3.38 -1.56 -2.54 115.31 116.20 2qls h LEU 29 Ca 0.28 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 2qls h LEU 29 Cb 0.44 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2qls h LEU 29 CO -0.49 0.26 -0.44 -0.78 0.09 0.00 0.00 178.44 177.08 2qls h ASP 30 N 0.68 -1.04 -1.30 -0.43 1.82 -0.71 0.38 116.42 115.82 2qls h ASP 30 Ca 0.48 0.03 0.45 0.00 -0.39 0.00 0.00 57.03 57.61 2qls h ASP 30 Cb 0.66 0.27 -0.14 0.00 0.68 0.00 0.00 39.33 40.80 2qls h ASP 30 CO -0.35 -0.70 0.81 0.03 -1.61 0.00 0.00 179.24 177.42 2qls h ARG 31 N -1.31 0.04 0.14 0.28 3.08 -0.91 -0.13 114.38 115.56 2qls h ARG 31 Ca -0.13 -0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.71 2qls h ARG 31 Cb 0.95 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 31.01 2qls h ARG 31 CO 0.21 0.03 -0.90 1.15 -1.07 0.00 0.00 179.97 179.38 2qls h THR 32 N 0.04 1.47 -0.18 2.04 2.02 -0.58 -1.77 112.91 115.95 2qls h THR 32 Ca 0.86 -2.52 -0.05 0.00 0.77 0.00 0.00 66.41 65.46 2qls h THR 32 Cb 2.63 3.11 -0.01 0.00 -1.74 0.00 0.00 68.15 72.14 2qls h THR 32 CO -0.50 0.72 -0.13 -0.26 0.37 0.00 0.00 175.52 175.72 2qls h PHE 33 N -0.25 0.30 0.02 3.16 0.04 0.50 0.64 116.94 121.34 2qls h PHE 33 Ca -0.15 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.55 2qls h PHE 33 Cb 1.70 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.77 2qls h PHE 33 CO 0.18 0.41 -0.16 1.96 -0.60 0.00 0.00 178.31 180.10 2qls h GLN 34 N 0.27 0.06 -0.17 1.51 4.20 -1.06 -3.27 115.11 116.65 2qls h GLN 34 Ca 0.05 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 2qls h GLN 34 Cb 0.39 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2qls h GLN 34 CO 0.02 1.02 -0.51 0.77 -0.67 0.00 0.00 178.83 179.47 2qls h SER 35 N -0.84 0.51 -3.45 1.46 0.02 -1.30 -3.40 113.55 106.54 2qls h SER 35 Ca -0.03 -0.26 -0.62 0.00 -0.84 0.00 0.00 61.79 60.05 2qls h SER 35 Cb 1.10 -0.15 -0.41 0.00 0.14 0.00 0.00 62.40 63.08 2qls h SER 35 CO 0.03 0.93 -0.66 -0.36 -1.14 0.00 0.00 176.83 175.63 2qls s PHE 36 N -4.04 2.91 0.54 3.45 0.40 0.22 -4.99 117.98 116.48 2qls s PHE 36 Ca -0.06 -3.02 0.22 0.00 -0.60 0.00 0.00 56.93 53.47 2qls s PHE 36 Cb 0.12 -2.40 1.43 0.00 0.51 0.00 0.00 43.02 42.68 2qls s PHE 36 CO 0.82 -0.67 2.11 -1.35 0.70 0.00 0.00 175.22 176.83 2qls h PRO 37 N 5.97 0.00 -0.85 0.24 0.11 -1.78 -1.44 132.00 134.25 2qls h PRO 37 Ca 0.07 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.32 2qls h PRO 37 Cb 0.84 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.89 2qls h PRO 37 CO 0.63 0.00 0.55 1.15 -0.21 0.00 0.00 178.00 180.13 2qls h THR 38 N 0.00 0.84 -0.72 -1.15 2.02 -1.94 0.15 112.91 112.11 2qls h THR 38 Ca 0.08 -0.22 0.21 0.00 0.77 0.00 0.00 66.41 67.25 2qls h THR 38 Cb 0.36 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 2qls h THR 38 CO -0.00 0.12 0.54 0.71 0.37 0.00 0.00 175.52 177.25 2qls h THR 39 N 0.64 0.59 0.00 3.16 1.35 -1.61 -2.92 112.91 114.13 2qls h THR 39 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 2qls h THR 39 Cb 0.72 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2qls h THR 39 CO -0.18 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.38 2qls n LYS 40 N -4.24 0.16 0.26 4.72 5.02 0.52 -2.92 118.16 121.68 2qls n LYS 40 Ca 0.14 0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.69 2qls n LYS 40 Cb 0.81 -1.50 0.73 0.00 -0.02 0.00 0.00 35.03 35.05 2qls n LYS 40 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2qls h THR 41 N 0.00 0.83 -0.00 -0.18 2.02 -1.67 -1.00 112.91 112.90 2qls h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qls h THR 41 Cb 0.22 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2qls h THR 41 CO 0.00 0.00 -0.26 -1.22 0.37 0.00 0.00 175.52 174.41 2qls n TYR 42 N -4.30 0.00 -2.64 3.16 4.01 -1.15 -4.26 117.16 111.98 2qls n TYR 42 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.44 2qls n TYR 42 Cb 0.12 -0.23 -0.01 0.00 -0.31 0.00 0.00 39.34 38.91 2qls n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2qls n PHE 43 N -1.11 3.64 0.36 -0.72 3.01 -0.38 -4.86 117.46 117.39 2qls n PHE 43 Ca 0.10 -3.41 0.14 0.00 1.01 0.00 0.00 57.45 55.29 2qls n PHE 43 Cb 0.32 -0.29 0.54 0.00 -0.01 0.00 0.00 39.48 40.05 2qls n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2qls h PRO 44 N 2.77 0.00 0.00 -1.08 0.13 -1.74 -0.67 132.00 131.41 2qls h PRO 44 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 2qls h PRO 44 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2qls h PRO 44 CO 0.86 0.00 -0.07 -2.39 -0.23 0.00 0.00 178.00 176.17 2qls n HIS 45 N -2.60 0.13 -3.21 1.56 1.44 -1.26 -4.83 115.22 106.45 2qls n HIS 45 Ca 0.02 0.04 -0.33 0.00 -2.01 0.00 0.00 57.72 55.43 2qls n HIS 45 Cb 0.29 -0.53 -0.06 0.00 0.12 0.00 0.00 29.99 29.81 2qls n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2qls s PHE 46 N -3.02 3.46 -0.52 -1.40 2.99 -0.26 -4.99 117.98 114.25 2qls s PHE 46 Ca 0.13 1.17 -0.26 0.00 0.00 0.00 0.00 56.93 57.97 2qls s PHE 46 Cb 0.18 -2.48 0.03 0.00 0.00 0.00 0.00 43.02 40.75 2qls s PHE 46 CO 0.56 0.21 1.00 0.34 -0.00 0.00 0.00 175.22 177.33 2qls s ASP 47 N -2.11 6.44 -0.34 1.36 -1.08 -1.26 -4.89 116.67 114.80 2qls s ASP 47 Ca 0.49 -0.02 0.08 0.00 -0.52 0.00 0.00 52.55 52.58 2qls s ASP 47 Cb -0.12 -2.47 0.69 0.00 -1.46 0.00 0.00 42.92 39.56 2qls s ASP 47 CO 0.19 -1.22 1.78 0.18 0.52 0.00 0.00 175.17 176.63 2qls n LEU 48 N 7.58 6.07 -4.78 -1.34 4.77 -1.26 -4.46 117.00 123.58 2qls n LEU 48 Ca 0.06 -3.18 -0.39 0.00 -0.03 0.00 0.00 56.01 52.47 2qls n LEU 48 Cb 0.48 -0.76 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 2qls n LEU 48 CO 0.66 0.84 0.29 -0.94 -1.33 0.00 0.00 177.39 176.91 2qls s SER 49 N -0.97 7.02 0.00 -1.43 1.04 -1.26 -5.01 113.70 113.09 2qls s SER 49 Ca 0.53 1.22 0.00 0.00 0.48 0.00 0.00 55.95 58.17 2qls s SER 49 Cb 0.43 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 64.18 2qls s SER 49 CO 0.12 0.18 0.00 -2.65 0.98 0.00 0.00 173.24 171.88 2qls n PRO 50 N 2.25 0.00 0.00 4.02 -0.02 -1.26 -0.83 135.00 139.16 2qls n PRO 50 Ca -0.08 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.44 2qls n PRO 50 Cb 0.51 0.00 0.24 0.00 -0.02 0.00 0.00 33.50 34.22 2qls n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qls n GLY 51 N -0.50 -0.61 3.77 -1.23 0.00 -1.26 -4.91 105.19 100.46 2qls n GLY 51 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2qls n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qls s SER 52 N -1.64 6.58 0.32 1.61 0.15 -0.01 -4.77 113.70 115.95 2qls s SER 52 Ca 0.12 2.76 0.15 0.00 0.70 0.00 0.00 55.95 59.68 2qls s SER 52 Cb 0.05 -2.65 0.50 0.00 -1.71 0.00 0.00 66.02 62.21 2qls s SER 52 CO 0.09 -0.67 1.66 0.00 1.20 0.00 0.00 173.24 175.52 2qls h ALA 53 N 3.15 0.96 -0.06 5.45 0.00 -1.87 0.02 119.26 126.91 2qls h ALA 53 Ca -0.49 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 53.94 2qls h ALA 53 Cb 1.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2qls h ALA 53 CO 0.65 0.62 -0.03 1.96 0.00 0.00 0.00 179.25 182.44 2qls h GLN 54 N 0.00 0.13 -0.82 0.00 4.20 -1.88 0.04 115.11 116.79 2qls h GLN 54 Ca -0.00 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.68 2qls h GLN 54 Cb 1.02 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.75 2qls h GLN 54 CO 0.06 0.51 0.53 0.28 -0.67 0.00 0.00 178.83 179.54 2qls h VAL 55 N -0.26 1.14 -0.32 -0.54 2.07 -1.75 -2.51 116.25 114.08 2qls h VAL 55 Ca 0.01 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2qls h VAL 55 Cb 0.47 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2qls h VAL 55 CO 0.01 0.19 0.00 0.11 0.02 0.00 0.00 177.57 177.90 2qls h LYS 56 N 1.03 0.49 0.00 1.57 1.57 -0.75 -2.18 116.57 118.31 2qls h LYS 56 Ca 0.32 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.88 2qls h LYS 56 Cb -0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2qls h LYS 56 CO -0.11 0.52 -0.56 0.00 -0.57 0.00 0.00 179.45 178.73 2qls h ALA 57 N 1.53 1.04 0.06 3.86 0.00 -0.56 -2.85 119.26 122.34 2qls h ALA 57 Ca 0.10 -0.51 -0.35 0.00 0.00 0.00 0.00 54.91 54.16 2qls h ALA 57 Cb 0.31 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2qls h ALA 57 CO 0.01 0.70 -2.00 1.58 0.00 0.00 0.00 179.25 179.54 2qls n HIS 58 N -3.82 0.92 -0.34 0.00 -0.00 -0.96 -2.25 115.22 108.77 2qls n HIS 58 Ca -0.01 0.24 0.06 0.00 -0.00 0.00 0.00 57.72 58.01 2qls n HIS 58 Cb 0.58 -1.14 0.14 0.00 -0.00 0.00 0.00 29.99 29.57 2qls n HIS 58 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2qls n GLY 59 N 1.87 -1.57 0.15 1.57 0.00 -0.86 -0.61 105.19 105.74 2qls n GLY 59 Ca -0.29 1.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.64 2qls n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qls h LYS 60 N 0.00 0.41 -0.65 1.61 1.57 -1.21 -1.11 116.57 117.20 2qls h LYS 60 Ca 0.46 -0.07 0.14 0.00 -1.87 0.00 0.00 60.65 59.31 2qls h LYS 60 Cb 0.72 -0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.85 2qls h LYS 60 CO -0.97 0.42 0.06 0.87 -0.57 0.00 0.00 179.45 179.26 2qls h LYS 61 N 0.31 0.17 0.74 3.15 1.57 -0.48 0.35 116.57 122.38 2qls h LYS 61 Ca 0.10 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2qls h LYS 61 Cb 0.15 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.43 2qls h LYS 61 CO -0.01 0.11 -0.36 0.28 -0.57 0.00 0.00 179.45 178.91 2qls h VAL 62 N 0.17 0.00 -0.72 0.50 2.07 -0.33 -2.69 116.25 115.25 2qls h VAL 62 Ca 0.35 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.74 2qls h VAL 62 Cb 0.58 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.21 2qls h VAL 62 CO -0.52 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 176.88 2qls n ALA 63 N -2.70 0.13 0.01 1.67 0.00 -0.47 -1.37 120.51 117.78 2qls n ALA 63 Ca -0.12 0.78 -0.10 0.00 0.00 0.00 0.00 53.44 54.00 2qls n ALA 63 Cb 0.39 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 2qls n ALA 63 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qls h ASP 64 N 0.00 -0.44 -0.59 0.00 3.32 -0.71 -0.89 116.42 117.11 2qls h ASP 64 Ca 0.33 0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.56 2qls h ASP 64 Cb 0.51 0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.18 2qls h ASP 64 CO -0.74 -0.19 0.14 0.00 -1.72 0.00 0.00 179.24 176.73 2qls h ALA 65 N 0.83 0.70 -0.67 3.45 0.00 -0.99 0.15 119.26 122.72 2qls h ALA 65 Ca 0.08 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2qls h ALA 65 Cb 0.31 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2qls h ALA 65 CO -0.21 -0.29 0.36 -0.07 0.00 0.00 0.00 179.25 179.03 2qls h LEU 66 N 0.27 0.50 0.55 0.00 3.38 -0.94 -0.74 115.31 118.34 2qls h LEU 66 Ca 0.30 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 2qls h LEU 66 Cb 0.44 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.14 2qls h LEU 66 CO -0.38 0.32 -0.26 0.74 0.09 0.00 0.00 178.44 178.94 2qls h THR 67 N 0.64 0.43 -1.44 0.22 2.02 -0.68 -0.38 112.91 113.72 2qls h THR 67 Ca 0.31 -0.17 0.45 0.00 0.77 0.00 0.00 66.41 67.77 2qls h THR 67 Cb 0.24 0.50 -0.11 0.00 -1.74 0.00 0.00 68.15 67.04 2qls h THR 67 CO -0.21 0.03 0.97 0.74 0.37 0.00 0.00 175.52 177.41 2qls h THR 68 N -0.85 0.14 0.25 3.16 2.02 -0.93 -0.42 112.91 116.28 2qls h THR 68 Ca -0.08 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2qls h THR 68 Cb 0.61 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2qls h THR 68 CO 0.12 0.01 -0.12 0.00 0.37 0.00 0.00 175.52 175.91 2qls h ALA 69 N 1.45 -0.33 -1.34 6.16 0.00 -0.22 -3.07 119.26 121.91 2qls h ALA 69 Ca 0.81 -0.19 0.47 0.00 0.00 0.00 0.00 54.91 56.00 2qls h ALA 69 Cb 2.76 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 20.54 2qls h ALA 69 CO -0.29 -0.39 0.85 0.28 0.00 0.00 0.00 179.25 179.71 2qls n VAL 70 N -5.01 -0.25 0.15 0.00 0.31 -0.24 -1.09 118.33 112.20 2qls n VAL 70 Ca -0.08 1.77 0.00 0.00 -0.01 0.00 0.00 64.34 66.03 2qls n VAL 70 Cb 0.25 -2.91 0.23 0.00 -0.91 0.00 0.00 33.84 30.50 2qls n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qls h ALA 71 N 1.57 1.06 -2.16 3.52 0.00 -1.02 -3.33 119.26 118.91 2qls h ALA 71 Ca 0.86 -0.49 -0.57 0.00 0.00 0.00 0.00 54.91 54.71 2qls h ALA 71 Cb 2.76 -0.09 -0.42 0.00 0.00 0.00 0.00 17.79 20.05 2qls h ALA 71 CO -0.47 0.67 -0.74 0.72 0.00 0.00 0.00 179.25 179.44 2qls n HIS 72 N -3.83 3.39 0.19 0.00 8.25 -0.25 -4.87 115.22 118.10 2qls n HIS 72 Ca -0.01 -3.88 0.02 0.00 -0.26 0.00 0.00 57.72 53.58 2qls n HIS 72 Cb 0.56 -0.44 0.10 0.00 1.12 0.00 0.00 29.99 31.32 2qls n HIS 72 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qls n LEU 73 N -0.19 0.00 -0.01 2.41 4.77 -0.94 -2.36 117.00 120.68 2qls n LEU 73 Ca 0.30 0.14 0.04 0.00 -0.03 0.00 0.00 56.01 56.46 2qls n LEU 73 Cb 0.46 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 2qls n LEU 73 CO 0.32 -0.13 -0.64 0.47 -1.33 0.00 0.00 177.39 176.08 2qls n ASP 74 N -1.14 2.80 -3.17 -1.43 9.92 -1.26 -4.51 116.55 117.76 2qls n ASP 74 Ca 0.02 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.06 2qls n ASP 74 Cb 0.02 1.34 -0.05 0.00 -0.64 0.00 0.00 41.12 41.79 2qls n ASP 74 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2qls n ASP 75 N -1.91 1.55 -0.21 -2.24 4.64 -1.00 -4.96 116.55 112.43 2qls n ASP 75 Ca -0.04 -3.09 -0.08 0.00 -1.38 0.00 0.00 54.79 50.21 2qls n ASP 75 Cb 0.33 -0.62 0.03 0.00 -1.04 0.00 0.00 41.12 39.82 2qls n ASP 75 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 2qls h LEU 76 N 3.33 0.83 -1.80 -2.67 3.38 -1.77 -2.37 115.31 114.24 2qls h LEU 76 Ca 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2qls h LEU 76 Cb 0.84 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2qls h LEU 76 CO 0.57 0.79 -0.13 -0.65 0.09 0.00 0.00 178.44 179.12 2qls h PRO 77 N 0.83 0.00 0.63 1.13 0.11 -1.92 -2.03 132.00 130.75 2qls h PRO 77 Ca 0.20 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 2qls h PRO 77 Cb 0.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.34 2qls h PRO 77 CO -0.01 0.13 -0.30 0.78 -0.21 0.00 0.00 178.00 178.38 2qls h GLY 78 N 0.43 -0.89 0.09 -0.55 0.00 -1.91 -2.19 103.07 98.06 2qls h GLY 78 Ca -0.00 0.33 0.24 0.00 0.00 0.00 0.00 47.33 47.90 2qls h GLY 78 CO 0.02 -0.32 0.72 0.00 0.00 0.00 0.00 176.54 176.96 2qls h ALA 79 N -0.87 2.67 0.00 3.60 0.00 -1.30 -3.05 119.26 120.31 2qls h ALA 79 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qls h ALA 79 Cb 0.70 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2qls h ALA 79 CO 0.14 -1.15 0.00 1.28 0.00 0.00 0.00 179.25 179.52 2qls n LEU 80 N -3.87 1.34 -0.06 0.00 4.77 -0.78 -4.79 117.00 113.61 2qls n LEU 80 Ca 0.17 -1.34 -0.15 0.00 -0.03 0.00 0.00 56.01 54.67 2qls n LEU 80 Cb 1.01 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.00 2qls n LEU 80 CO 0.33 0.33 0.50 0.77 -1.33 0.00 0.00 177.39 177.99 2qls h SER 81 N 0.00 -1.79 -0.94 -1.43 4.64 -1.28 -0.74 113.55 112.02 2qls h SER 81 Ca 0.00 0.22 0.11 0.00 -0.47 0.00 0.00 61.79 61.65 2qls h SER 81 Cb 0.49 0.71 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 2qls h SER 81 CO 0.00 -0.45 0.60 0.00 -0.87 0.00 0.00 176.83 176.11 2qls h ALA 82 N -0.18 1.61 0.00 5.18 0.00 -1.87 0.85 119.26 124.85 2qls h ALA 82 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qls h ALA 82 Cb 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qls h ALA 82 CO -0.51 0.18 0.00 -0.07 0.00 0.00 0.00 179.25 178.86 2qls h LEU 83 N 0.92 0.00 0.01 0.00 3.38 -1.52 -2.06 115.31 116.03 2qls h LEU 83 Ca 0.45 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.24 2qls h LEU 83 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2qls h LEU 83 CO -0.21 0.00 -0.99 -1.28 0.09 0.00 0.00 178.44 176.06 2qls h SER 84 N 0.00 0.03 -0.84 -0.43 0.87 0.17 -2.38 113.55 110.97 2qls h SER 84 Ca 0.00 -0.65 0.34 0.00 -1.23 0.00 0.00 61.79 60.24 2qls h SER 84 Cb 0.22 -0.01 -0.15 0.00 -0.44 0.00 0.00 62.40 62.02 2qls h SER 84 CO 0.00 1.39 0.39 0.47 -0.53 0.00 0.00 176.83 178.55 2qls n ASP 85 N -4.43 0.24 0.07 6.23 10.43 -0.35 -0.67 116.55 128.07 2qls n ASP 85 Ca -0.26 1.40 -0.12 0.00 2.57 0.00 0.00 54.79 58.38 2qls n ASP 85 Cb 0.65 -0.66 -0.13 0.00 1.84 0.00 0.00 41.12 42.82 2qls n ASP 85 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 2qls h LEU 86 N 0.00 0.20 0.09 0.64 7.12 -1.28 -2.16 115.31 119.92 2qls h LEU 86 Ca 0.69 -0.24 -0.27 0.00 0.13 0.00 0.00 57.88 58.19 2qls h LEU 86 Cb 1.78 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.83 2qls h LEU 86 CO -0.67 1.20 -1.39 0.45 -0.13 0.00 0.00 178.44 177.89 2qls h HIS 87 N 0.04 0.34 0.03 1.25 3.86 -0.88 0.60 115.15 120.38 2qls h HIS 87 Ca -0.12 -0.25 -0.00 0.00 -1.16 0.00 0.00 60.37 58.84 2qls h HIS 87 Cb 1.90 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.36 2qls h HIS 87 CO 0.03 1.55 -0.02 0.00 0.86 0.00 0.00 177.93 180.35 2qls h ALA 88 N -0.12 -0.04 0.07 2.45 0.00 -1.01 -0.50 119.26 120.11 2qls h ALA 88 Ca -0.31 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.07 2qls h ALA 88 Cb 1.67 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.50 2qls h ALA 88 CO 0.01 -0.06 -0.98 -0.92 0.00 0.00 0.00 179.25 177.30 2qls h TYR 89 N -0.97 0.84 0.00 0.00 3.20 -1.56 -3.23 116.97 115.25 2qls h TYR 89 Ca -0.00 -0.51 0.00 0.00 3.14 0.00 0.00 58.73 61.35 2qls h TYR 89 Cb 0.58 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.77 2qls h TYR 89 CO 0.15 1.35 -0.40 -0.22 -1.64 0.00 0.00 178.16 177.41 2qls h LYS 90 N 0.10 0.00 -0.28 1.82 3.64 -1.40 -3.42 116.57 117.03 2qls h LYS 90 Ca -0.14 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 2qls h LYS 90 Cb 1.68 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.48 2qls h LYS 90 CO 0.19 0.00 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.17 2qls h LEU 91 N -0.93 0.46 -2.21 5.20 3.38 -0.97 -3.48 115.31 116.75 2qls h LEU 91 Ca 0.00 -0.12 -0.50 0.00 0.09 0.00 0.00 57.88 57.36 2qls h LEU 91 Cb 0.40 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2qls h LEU 91 CO 0.00 0.62 -0.90 0.54 0.09 0.00 0.00 178.44 178.78 2qls n ARG 92 N -4.21 -2.77 -2.08 1.13 1.74 -0.25 -4.94 116.66 105.29 2qls n ARG 92 Ca 0.00 0.39 -0.41 0.00 -0.77 0.00 0.00 57.85 57.06 2qls n ARG 92 Cb 0.32 -4.35 -0.02 0.00 -1.02 0.00 0.00 32.46 27.38 2qls n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qls s VAL 93 N -3.88 2.80 -0.14 1.55 1.01 -0.91 -4.98 120.40 115.85 2qls s VAL 93 Ca 0.10 0.69 -0.28 0.00 0.00 0.00 0.00 61.98 62.49 2qls s VAL 93 Cb -0.04 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2qls s VAL 93 CO 0.89 0.12 0.94 -0.62 0.00 0.00 0.00 175.10 176.43 2qls s ASP 94 N 0.21 7.12 0.46 3.32 -1.08 -1.26 -4.90 116.67 120.54 2qls s ASP 94 Ca 0.57 1.38 0.18 0.00 -0.52 0.00 0.00 52.55 54.16 2qls s ASP 94 Cb -0.40 -2.51 1.15 0.00 -1.46 0.00 0.00 42.92 39.70 2qls s ASP 94 CO 0.44 -0.45 1.96 -0.65 0.52 0.00 0.00 175.17 176.99 2qls h PRO 95 N 7.21 0.27 -1.08 4.34 0.11 -2.00 -0.40 132.00 140.45 2qls h PRO 95 Ca -0.29 -0.02 0.36 0.00 0.11 0.00 0.00 66.00 66.17 2qls h PRO 95 Cb 1.13 -0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.03 2qls h PRO 95 CO 0.86 0.18 0.64 0.28 -0.21 0.00 0.00 178.00 179.75 2qls h VAL 96 N 0.28 0.21 -0.26 3.15 2.07 -2.02 -1.82 116.25 117.86 2qls h VAL 96 Ca 0.30 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.81 2qls h VAL 96 Cb 0.80 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2qls h VAL 96 CO -0.07 0.04 0.18 0.78 0.02 0.00 0.00 177.57 178.52 2qls h ASN 97 N 0.21 0.06 -0.67 0.57 4.21 -1.46 -2.05 115.58 116.46 2qls h ASN 97 Ca 0.77 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 58.23 2qls h ASN 97 Cb 1.99 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 39.15 2qls h ASN 97 CO -0.57 0.04 0.22 -0.26 -1.29 0.00 0.00 177.43 175.57 2qls h PHE 98 N 0.07 1.07 -0.60 1.19 0.04 -1.52 -2.14 116.94 115.05 2qls h PHE 98 Ca 0.12 -0.10 0.11 0.00 2.80 0.00 0.00 57.97 60.90 2qls h PHE 98 Cb 0.39 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 2qls h PHE 98 CO -0.00 0.86 0.41 0.87 -0.60 0.00 0.00 178.31 179.84 2qls h LYS 99 N 0.97 0.32 0.13 1.51 1.57 -1.48 0.57 116.57 120.16 2qls h LYS 99 Ca 0.22 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.65 2qls h LYS 99 Cb 0.28 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2qls h LYS 99 CO -0.01 0.21 -1.72 -0.07 -0.57 0.00 0.00 179.45 177.30 2qls h LEU 100 N 0.33 0.43 -1.00 2.94 3.38 -1.39 -1.45 115.31 118.55 2qls h LEU 100 Ca 0.28 -0.70 -0.09 0.00 0.09 0.00 0.00 57.88 57.46 2qls h LEU 100 Cb 0.67 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2qls h LEU 100 CO -0.07 1.60 -0.31 0.25 0.09 0.00 0.00 178.44 180.01 2qls h LEU 101 N 0.08 0.35 -0.17 1.67 5.85 -1.01 -1.83 115.31 120.24 2qls h LEU 101 Ca -0.32 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.33 2qls h LEU 101 Cb 2.05 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.93 2qls h LEU 101 CO 0.14 0.64 -0.18 0.28 -0.34 0.00 0.00 178.44 178.99 2qls h SER 102 N 0.30 -0.56 -0.72 1.25 0.02 -0.94 0.22 113.55 113.12 2qls h SER 102 Ca 0.04 0.10 0.09 0.00 -0.84 0.00 0.00 61.79 61.19 2qls h SER 102 Cb 0.69 0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.46 2qls h SER 102 CO 0.05 -0.22 0.47 -0.74 -1.14 0.00 0.00 176.83 175.25 2qls h HIS 103 N -0.21 0.66 -0.01 3.45 -0.00 -1.05 -2.19 115.15 115.80 2qls h HIS 103 Ca 0.11 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2qls h HIS 103 Cb 0.37 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 2qls h HIS 103 CO -0.31 0.32 -0.19 0.00 -0.00 0.00 0.00 177.93 177.75 2qls n LEU 105 N -0.56 2.05 -0.32 0.00 7.94 -0.31 -2.74 117.00 123.05 2qls n LEU 105 Ca 0.14 0.09 -0.01 0.00 -1.11 0.00 0.00 56.01 55.12 2qls n LEU 105 Cb 0.34 -0.58 0.12 0.00 0.53 0.00 0.00 43.42 43.82 2qls n LEU 105 CO 0.24 0.75 1.22 -0.07 -1.11 0.00 0.00 177.39 178.43 2qls h LEU 106 N 0.02 0.94 -0.17 -1.96 3.38 -1.26 -1.57 115.31 114.70 2qls h LEU 106 Ca -0.48 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.32 2qls h LEU 106 Cb 2.02 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 42.57 2qls h LEU 106 CO 0.02 0.64 -0.57 0.58 0.09 0.00 0.00 178.44 179.20 2qls h VAL 107 N 1.10 1.32 -0.93 1.22 2.07 -1.54 -1.44 116.25 118.05 2qls h VAL 107 Ca 0.35 -1.81 0.08 0.00 0.82 0.00 0.00 66.70 66.14 2qls h VAL 107 Cb 0.01 1.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 2qls h VAL 107 CO -0.12 0.57 0.58 0.74 0.02 0.00 0.00 177.57 179.35 2qls h THR 108 N 0.37 1.02 -0.21 2.57 2.02 -1.26 0.82 112.91 118.24 2qls h THR 108 Ca -0.02 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.72 2qls h THR 108 Cb 1.20 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2qls h THR 108 CO 0.12 0.19 -0.20 -0.07 0.37 0.00 0.00 175.52 175.93 2qls h LEU 109 N 1.02 0.54 -1.31 2.58 4.07 -1.22 -2.87 115.31 118.12 2qls h LEU 109 Ca 0.42 -0.47 0.32 0.00 0.08 0.00 0.00 57.88 58.23 2qls h LEU 109 Cb 0.25 -0.15 -0.11 0.00 1.08 0.00 0.00 40.66 41.73 2qls h LEU 109 CO -0.20 0.90 0.70 0.00 -1.08 0.00 0.00 178.44 178.76 2qls h ALA 110 N 0.66 2.32 0.00 1.53 0.00 -0.43 0.23 119.26 123.56 2qls h ALA 110 Ca 0.03 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2qls h ALA 110 Cb 0.74 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2qls h ALA 110 CO 0.05 -0.82 -0.59 0.00 0.00 0.00 0.00 179.25 177.89 2qls n HIS 112 N -3.23 0.00 -3.24 0.00 -0.00 -0.10 -4.65 115.22 104.01 2qls n HIS 112 Ca 0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.49 2qls n HIS 112 Cb 0.76 -0.59 -0.07 0.00 -0.00 0.00 0.00 29.99 30.10 2qls n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2qls n HIS 113 N -2.34 1.02 0.26 4.41 8.25 0.62 -4.94 115.22 122.50 2qls n HIS 113 Ca -0.10 -3.77 0.18 0.00 -0.26 0.00 0.00 57.72 53.76 2qls n HIS 113 Cb 0.68 -0.42 0.90 0.00 1.12 0.00 0.00 29.99 32.27 2qls n HIS 113 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2qls h PRO 114 N 3.88 0.00 0.13 -0.41 0.13 -1.79 -0.26 132.00 133.68 2qls h PRO 114 Ca 0.11 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.94 2qls h PRO 114 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 2qls h PRO 114 CO 0.59 0.00 -1.55 1.15 -0.23 0.00 0.00 178.00 177.96 2qls h THR 115 N 0.00 0.95 0.00 1.56 2.02 -1.92 -3.03 112.91 112.50 2qls h THR 115 Ca 0.05 -2.41 -0.14 0.00 0.77 0.00 0.00 66.41 64.68 2qls h THR 115 Cb 0.50 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.57 2qls h THR 115 CO -0.00 0.75 -0.68 -0.33 0.37 0.00 0.00 175.52 175.63 2qls h GLU 116 N -0.20 0.00 -3.37 6.66 3.07 -1.96 -3.37 114.58 115.42 2qls h GLU 116 Ca -0.33 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.32 2qls h GLU 116 Cb 1.85 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.76 2qls h GLU 116 CO 0.08 0.68 1.63 0.34 -1.40 0.00 0.00 179.01 180.33 2qls n PHE 117 N -3.46 0.70 -1.64 4.33 7.35 -0.12 -4.76 117.46 119.85 2qls n PHE 117 Ca 0.00 -1.28 -0.33 0.00 -0.76 0.00 0.00 57.45 55.09 2qls n PHE 117 Cb 0.74 -1.22 0.06 0.00 0.35 0.00 0.00 39.48 39.41 2qls n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qls s THR 118 N 3.49 3.09 0.25 -2.13 -4.23 -1.26 -4.78 115.64 110.07 2qls s THR 118 Ca 0.27 0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 61.23 2qls s THR 118 Cb 0.08 -3.00 0.22 0.00 1.34 0.00 0.00 72.50 71.14 2qls s THR 118 CO -0.02 -0.33 1.82 -0.65 -0.54 0.00 0.00 174.62 174.91 2qls h PRO 119 N -0.16 0.84 -0.88 3.99 0.11 -1.98 -0.95 132.00 132.96 2qls h PRO 119 Ca -0.47 -0.05 0.18 0.00 0.11 0.00 0.00 66.00 65.77 2qls h PRO 119 Cb 1.25 -0.19 -0.11 0.00 0.11 0.00 0.00 31.00 32.07 2qls h PRO 119 CO 0.53 0.56 0.45 0.00 -0.21 0.00 0.00 178.00 179.32 2qls h ALA 120 N 1.45 1.38 -0.09 -0.75 0.00 -1.96 -1.12 119.26 118.17 2qls h ALA 120 Ca 0.40 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.33 2qls h ALA 120 Cb 0.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qls h ALA 120 CO -0.23 -0.17 -0.30 0.28 0.00 0.00 0.00 179.25 178.84 2qls h VAL 121 N 0.57 1.41 -0.95 0.00 2.07 -1.76 -2.61 116.25 114.98 2qls h VAL 121 Ca 0.51 -1.65 0.14 0.00 0.82 0.00 0.00 66.70 66.51 2qls h VAL 121 Cb 0.82 2.23 -0.08 0.00 -1.52 0.00 0.00 31.29 32.74 2qls h VAL 121 CO -0.42 0.48 0.60 -0.74 0.02 0.00 0.00 177.57 177.51 2qls h HIS 122 N -0.10 0.98 -0.11 1.57 6.17 -0.69 -0.56 115.15 122.40 2qls h HIS 122 Ca -0.01 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.06 2qls h HIS 122 Cb 0.92 -0.31 -0.00 0.00 2.52 0.00 0.00 27.41 30.54 2qls h HIS 122 CO 0.12 0.36 -0.07 0.00 0.71 0.00 0.00 177.93 179.05 2qls h ALA 123 N 1.58 0.15 0.05 5.26 0.00 -1.07 -1.84 119.26 123.39 2qls h ALA 123 Ca 0.48 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2qls h ALA 123 Cb 0.63 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2qls h ALA 123 CO -0.24 -0.05 -0.36 0.77 0.00 0.00 0.00 179.25 179.37 2qls h SER 124 N -0.14 -1.07 -0.32 0.00 0.02 -1.04 0.72 113.55 111.72 2qls h SER 124 Ca 0.02 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 2qls h SER 124 Cb 0.55 0.42 -0.08 0.00 0.14 0.00 0.00 62.40 63.42 2qls h SER 124 CO 0.02 -0.43 -0.40 -0.07 -1.14 0.00 0.00 176.83 174.81 2qls h LEU 125 N -0.55 -1.31 -0.95 5.07 4.07 -1.17 0.30 115.31 120.77 2qls h LEU 125 Ca 0.04 0.20 0.27 0.00 0.08 0.00 0.00 57.88 58.47 2qls h LEU 125 Cb 0.61 0.57 -0.17 0.00 1.08 0.00 0.00 40.66 42.75 2qls h LEU 125 CO -0.26 -0.37 0.12 -0.78 -1.08 0.00 0.00 178.44 176.07 2qls h ASP 126 N -0.36 -0.30 0.06 -0.43 1.82 -0.51 0.51 116.42 117.21 2qls h ASP 126 Ca 0.13 0.26 -0.00 0.00 -0.39 0.00 0.00 57.03 57.02 2qls h ASP 126 Cb 0.58 0.41 0.00 0.00 0.68 0.00 0.00 39.33 41.01 2qls h ASP 126 CO -0.51 -0.31 -0.03 0.11 -1.61 0.00 0.00 179.24 176.89 2qls h LYS 127 N 0.05 -0.08 0.38 0.28 1.57 0.39 -1.45 116.57 117.71 2qls h LYS 127 Ca 0.60 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2qls h LYS 127 Cb 1.27 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 2qls h LYS 127 CO -0.84 0.23 -0.46 0.35 -0.57 0.00 0.00 179.45 178.17 2qls h PHE 128 N -0.40 -1.28 -0.93 -1.35 3.57 0.12 -0.66 116.94 116.01 2qls h PHE 128 Ca -0.01 0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.70 2qls h PHE 128 Cb 0.35 0.51 -0.11 0.00 2.79 0.00 0.00 35.95 39.49 2qls h PHE 128 CO 0.03 -0.61 0.50 0.74 -2.23 0.00 0.00 178.31 176.75 2qls h PHE 129 N -0.88 0.87 -0.40 0.41 0.05 -0.10 -0.45 116.94 116.43 2qls h PHE 129 Ca -0.04 0.04 0.08 0.00 3.82 0.00 0.00 57.97 61.87 2qls h PHE 129 Cb 0.79 -0.24 -0.08 0.00 2.00 0.00 0.00 35.95 38.42 2qls h PHE 129 CO -0.28 0.12 -0.15 0.00 -0.18 0.00 0.00 178.31 177.82 2qls h ALA 130 N 1.65 0.19 -0.64 2.45 0.00 -0.89 0.20 119.26 122.22 2qls h ALA 130 Ca 0.55 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.61 2qls h ALA 130 Cb 0.93 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2qls h ALA 130 CO -0.43 -0.50 0.38 0.00 0.00 0.00 0.00 179.25 178.70 2qls h ALA 131 N 1.29 0.82 0.38 0.00 0.00 -0.03 -1.48 119.26 120.24 2qls h ALA 131 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2qls h ALA 131 Cb 0.36 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qls h ALA 131 CO -0.45 0.31 -0.18 0.28 0.00 0.00 0.00 179.25 179.20 2qls h VAL 132 N 0.87 0.63 -0.88 0.00 2.07 -0.75 -2.53 116.25 115.66 2qls h VAL 132 Ca 0.23 -0.20 0.22 0.00 0.82 0.00 0.00 66.70 67.77 2qls h VAL 132 Cb -0.01 0.73 -0.12 0.00 -1.52 0.00 0.00 31.29 30.37 2qls h VAL 132 CO -0.04 0.04 0.37 0.28 0.02 0.00 0.00 177.57 178.24 2qls h SER 133 N -0.63 0.29 -0.41 0.57 0.02 -0.78 -1.39 113.55 111.22 2qls h SER 133 Ca -0.05 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2qls h SER 133 Cb 0.46 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 2qls h SER 133 CO 0.09 -0.01 0.18 0.74 -1.14 0.00 0.00 176.83 176.69 2qls h THR 134 N 0.38 1.19 -0.03 -2.27 2.02 -1.13 0.28 112.91 113.36 2qls h THR 134 Ca 0.55 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2qls h THR 134 Cb 1.03 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2qls h THR 134 CO -0.53 0.21 0.02 0.58 0.37 0.00 0.00 175.52 176.16 2qls h VAL 135 N 0.52 1.05 0.00 3.16 2.07 -0.99 0.18 116.25 122.24 2qls h VAL 135 Ca 0.14 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2qls h VAL 135 Cb 0.16 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2qls h VAL 135 CO -0.01 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 177.54 2qls h LEU 136 N -0.01 0.00 -1.68 2.57 3.38 -0.86 -2.00 115.31 116.70 2qls h LEU 136 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qls h LEU 136 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2qls h LEU 136 CO -0.00 0.00 -0.11 0.35 0.09 0.00 0.00 178.44 178.77 2qls n THR 137 N -2.91 0.00 -0.41 0.22 -2.24 0.95 -4.26 114.28 105.62 2qls n THR 137 Ca -0.02 -0.44 0.34 0.00 -2.27 0.00 0.00 64.05 61.67 2qls n THR 137 Cb 0.13 1.41 0.64 0.00 -2.10 0.00 0.00 70.33 70.41 2qls n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2qls h SER 138 N 4.10 0.25 0.07 3.42 4.64 0.16 -0.93 113.55 125.27 2qls h SER 138 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2qls h SER 138 Cb 0.93 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2qls h SER 138 CO 0.00 -0.06 0.00 1.17 -0.87 0.00 0.00 176.83 177.07 2qls n LYS 139 N -4.53 0.22 -0.02 4.77 4.81 -1.26 -1.67 118.16 120.48 2qls n LYS 139 Ca 0.33 0.09 -0.01 0.00 -0.87 0.00 0.00 58.31 57.85 2qls n LYS 139 Cb 1.29 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 34.72 2qls n LYS 139 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2qls n TYR 140 N -1.12 0.44 0.43 5.64 0.53 -0.35 -5.02 117.16 117.70 2qls n TYR 140 Ca 0.06 0.14 0.05 0.00 -1.02 0.00 0.00 57.90 57.13 2qls n TYR 140 Cb 0.05 -0.92 0.04 0.00 -1.03 0.00 0.00 39.34 37.48 2qls n TYR 140 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73