#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qfa s LEU 6 N 0.00 3.84 0.43 3.22 1.43 -1.26 -5.01 118.68 121.34 2qfa s LEU 6 Ca 0.00 1.88 -0.24 0.00 -1.03 0.00 0.00 54.13 54.74 2qfa s LEU 6 Cb 0.00 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.57 2qfa s LEU 6 CO 0.00 -0.72 1.04 -2.65 0.23 0.00 0.00 176.35 174.24 2qfa n PRO 7 N -0.96 1.38 -0.32 1.29 -0.02 -1.26 -4.72 135.00 130.39 2qfa n PRO 7 Ca 0.09 0.50 0.20 0.00 -2.02 0.00 0.00 63.50 62.26 2qfa n PRO 7 Cb 0.53 -2.09 0.41 0.00 -0.02 0.00 0.00 33.50 32.32 2qfa n PRO 7 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2qfa h PRO 8 N 1.52 0.25 0.00 0.52 0.11 -2.01 0.12 132.00 132.52 2qfa h PRO 8 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2qfa h PRO 8 Cb 1.33 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 2qfa h PRO 8 CO 0.57 0.17 -0.06 0.00 -0.21 0.00 0.00 178.00 178.46 2qfa h ALA 9 N 1.84 1.46 0.00 -0.75 0.00 -2.05 -2.96 119.26 116.80 2qfa h ALA 9 Ca 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2qfa h ALA 9 Cb 1.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2qfa h ALA 9 CO -0.64 0.07 -1.31 0.91 0.00 0.00 0.00 179.25 178.28 2qfa n TRP 10 N -3.82 0.00 -0.29 0.00 8.01 -0.01 -4.49 117.44 116.85 2qfa n TRP 10 Ca -0.02 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.22 2qfa n TRP 10 Cb 0.15 -0.19 0.20 0.00 -2.01 0.00 0.00 31.31 29.47 2qfa n TRP 10 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.69 178.64 2qfa h GLN 11 N 0.00 0.64 0.00 -0.99 4.20 -1.28 -0.95 115.11 116.73 2qfa h GLN 11 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2qfa h GLN 11 Cb 0.63 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2qfa h GLN 11 CO 0.00 0.42 0.00 -2.30 -0.67 0.00 0.00 178.83 176.28 2qfa n PRO 12 N -4.84 0.20 0.29 1.46 -0.02 -1.26 -2.08 135.00 128.75 2qfa n PRO 12 Ca 0.16 0.13 0.18 0.00 -2.02 0.00 0.00 63.50 61.95 2qfa n PRO 12 Cb 0.38 -1.50 0.80 0.00 -0.02 0.00 0.00 33.50 33.16 2qfa n PRO 12 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2qfa h PHE 13 N 0.00 0.00 -3.45 6.00 0.04 -1.47 -3.43 116.94 114.63 2qfa h PHE 13 Ca 0.00 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.16 2qfa h PHE 13 Cb 0.06 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.08 2qfa h PHE 13 CO 0.00 0.00 -0.39 -0.51 -0.60 0.00 0.00 178.31 176.81 2qfa s LEU 14 N -6.19 4.16 0.28 1.54 1.43 -0.88 -4.86 118.68 114.16 2qfa s LEU 14 Ca -0.00 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2qfa s LEU 14 Cb 0.10 -2.25 0.54 0.00 0.03 0.00 0.00 46.19 44.60 2qfa s LEU 14 CO 0.52 0.06 1.85 0.50 0.23 0.00 0.00 176.35 179.50 2qfa h LYS 15 N 7.19 0.99 -0.70 1.70 3.64 -1.88 -1.81 116.57 125.71 2qfa h LYS 15 Ca -0.39 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 2qfa h LYS 15 Cb 1.16 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 2qfa h LYS 15 CO 0.71 0.66 0.40 -0.44 -2.27 0.00 0.00 179.45 178.51 2qfa h ASP 16 N 1.02 0.84 -0.51 4.20 3.32 -1.94 0.13 116.42 123.49 2qfa h ASP 16 Ca 0.48 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.42 2qfa h ASP 16 Cb 0.44 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2qfa h ASP 16 CO -0.25 0.66 0.08 -0.74 -1.72 0.00 0.00 179.24 177.27 2qfa h HIS 17 N 0.97 0.91 -0.67 4.55 2.76 -1.61 -2.45 115.15 119.60 2qfa h HIS 17 Ca 0.25 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 2qfa h HIS 17 Cb -0.01 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.67 2qfa h HIS 17 CO 0.00 0.82 0.33 0.00 -1.30 0.00 0.00 177.93 177.78 2qfa h ARG 18 N 0.73 0.96 -0.91 5.26 3.08 -0.98 -2.67 114.38 119.85 2qfa h ARG 18 Ca 0.15 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 60.10 2qfa h ARG 18 Cb 0.41 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 2qfa h ARG 18 CO 0.01 0.76 0.59 0.82 -1.07 0.00 0.00 179.97 181.08 2qfa h ILE 19 N 0.93 1.15 0.00 2.04 2.04 -0.89 -2.57 117.51 120.21 2qfa h ILE 19 Ca 0.23 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2qfa h ILE 19 Cb 0.11 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 2qfa h ILE 19 CO -0.03 0.21 0.00 0.77 0.00 0.00 0.00 178.15 179.10 2qfa h SER 20 N 1.14 0.00 1.59 1.72 4.64 -1.08 -2.31 113.55 119.25 2qfa h SER 20 Ca 0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 2qfa h SER 20 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qfa h SER 20 CO -0.12 0.00 -0.06 0.71 -0.87 0.00 0.00 176.83 176.50 2qfa h THR 21 N 0.00 0.11 -2.93 2.95 1.35 -1.42 -3.43 112.91 109.53 2qfa h THR 21 Ca 0.00 -0.96 -0.55 0.00 -0.55 0.00 0.00 66.41 64.35 2qfa h THR 21 Cb 0.14 1.87 -0.06 0.00 -1.73 0.00 0.00 68.15 68.37 2qfa h THR 21 CO 0.00 0.05 1.08 -0.36 -0.25 0.00 0.00 175.52 176.04 2qfa s PHE 22 N -3.36 2.34 -0.20 4.73 0.40 -0.87 -4.46 117.98 116.57 2qfa s PHE 22 Ca 0.05 0.49 0.01 0.00 -0.60 0.00 0.00 56.93 56.88 2qfa s PHE 22 Cb 0.07 -4.40 0.03 0.00 0.51 0.00 0.00 43.02 39.23 2qfa s PHE 22 CO 0.64 -1.92 -0.17 0.21 0.70 0.00 0.00 175.22 174.68 2qfa s LYS 23 N 5.36 2.68 -1.47 0.44 2.20 -1.26 -4.65 119.74 123.04 2qfa s LYS 23 Ca 0.52 -0.93 -0.11 0.00 -0.36 0.00 0.00 55.97 55.10 2qfa s LYS 23 Cb -0.11 -2.59 0.06 0.00 -1.51 0.00 0.00 37.83 33.68 2qfa s LYS 23 CO 0.26 -0.31 0.85 0.09 -0.36 0.00 0.00 175.35 175.88 2qfa n ASN 24 N 4.59 -5.12 -4.69 1.43 5.03 -1.26 -4.93 115.26 110.31 2qfa n ASN 24 Ca -0.19 -0.57 -0.42 0.00 0.87 0.00 0.00 54.58 54.27 2qfa n ASN 24 Cb 0.48 -4.11 -0.03 0.00 -1.02 0.00 0.00 39.78 35.10 2qfa n ASN 24 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 2qfa s TRP 25 N -3.21 2.18 -1.33 3.10 -0.11 -1.26 -4.87 118.94 113.44 2qfa s TRP 25 Ca 0.54 0.03 0.12 0.00 1.22 0.00 0.00 56.10 58.00 2qfa s TRP 25 Cb -0.26 -4.15 0.57 0.00 -1.50 0.00 0.00 33.47 28.13 2qfa s TRP 25 CO 0.66 -4.72 1.30 -0.35 -4.62 0.00 0.00 176.95 169.23 2qfa n PRO 26 N 5.70 0.13 -3.99 5.86 -0.04 -1.26 -4.53 135.00 136.86 2qfa n PRO 26 Ca 0.17 0.20 -0.31 0.00 -0.04 0.00 0.00 63.50 63.53 2qfa n PRO 26 Cb 0.39 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.19 2qfa n PRO 26 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2qfa s PHE 27 N -2.67 2.47 0.00 0.54 0.08 -1.26 -5.10 117.98 112.04 2qfa s PHE 27 Ca 0.10 -1.67 0.00 0.00 0.12 0.00 0.00 56.93 55.48 2qfa s PHE 27 Cb 0.08 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 2qfa s PHE 27 CO 0.19 -0.76 0.00 1.28 -0.10 0.00 0.00 175.22 175.83 2qfa n LEU 28 N 4.67 0.00 0.00 -0.37 4.77 -1.26 -4.19 117.00 120.62 2qfa n LEU 28 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2qfa n LEU 28 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2qfa n LEU 28 CO 0.20 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.64 2qfa n GLU 29 N 0.00 0.00 -3.05 3.23 1.02 -1.26 -3.18 120.64 117.40 2qfa n GLU 29 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 2qfa n GLU 29 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2qfa n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qfa n GLY 30 N 0.00 5.33 3.33 0.62 0.00 -1.26 -5.01 105.19 108.21 2qfa n GLY 30 Ca 0.00 -2.71 -0.19 0.00 0.00 0.00 0.00 46.02 43.12 2qfa n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qfa h ALA 32 N 2.84 0.79 -1.64 0.00 0.00 -1.61 -3.35 119.26 116.29 2qfa h ALA 32 Ca -0.39 -0.56 -0.74 0.00 0.00 0.00 0.00 54.91 53.22 2qfa h ALA 32 Cb 1.21 -0.10 -0.32 0.00 0.00 0.00 0.00 17.79 18.59 2qfa h ALA 32 CO 0.58 0.77 0.48 0.00 0.00 0.00 0.00 179.25 181.08 2qfa s THR 34 N -4.15 4.36 0.31 0.00 -4.23 -1.26 -4.72 115.64 105.95 2qfa s THR 34 Ca 0.41 0.87 0.06 0.00 -1.18 0.00 0.00 61.69 61.85 2qfa s THR 34 Cb 0.20 -3.64 0.30 0.00 1.34 0.00 0.00 72.50 70.70 2qfa s THR 34 CO -0.10 -0.91 1.77 -0.65 -0.54 0.00 0.00 174.62 174.19 2qfa h PRO 35 N -0.14 0.72 -0.44 3.99 0.11 -1.96 0.24 132.00 134.51 2qfa h PRO 35 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2qfa h PRO 35 Cb 1.20 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2qfa h PRO 35 CO 0.60 0.47 0.25 1.49 -0.21 0.00 0.00 178.00 180.60 2qfa h GLU 36 N 0.74 0.61 -0.16 1.05 4.22 -1.94 0.20 114.58 119.29 2qfa h GLU 36 Ca 0.59 -0.06 -0.18 0.00 0.08 0.00 0.00 59.36 59.79 2qfa h GLU 36 Cb 0.95 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2qfa h GLU 36 CO -0.40 0.47 -0.63 0.00 -2.18 0.00 0.00 179.01 176.27 2qfa h ARG 37 N 0.58 0.57 -0.04 1.92 2.47 -1.64 0.04 114.38 118.29 2qfa h ARG 37 Ca 0.16 -0.40 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 2qfa h ARG 37 Cb 0.03 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2qfa h ARG 37 CO -0.03 1.02 0.03 0.52 0.56 0.00 0.00 179.97 182.07 2qfa h MET 38 N 0.42 0.05 -0.53 0.04 2.86 -0.46 -2.32 114.93 115.00 2qfa h MET 38 Ca -0.01 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2qfa h MET 38 Cb 1.20 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 2qfa h MET 38 CO 0.12 0.04 0.02 0.00 1.06 0.00 0.00 176.91 178.15 2qfa h ALA 39 N 1.01 1.02 -0.73 6.32 0.00 -0.84 -1.55 119.26 124.50 2qfa h ALA 39 Ca 0.01 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.70 2qfa h ALA 39 Cb -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2qfa h ALA 39 CO -0.00 0.61 0.48 1.49 0.00 0.00 0.00 179.25 181.82 2qfa h GLU 40 N 0.83 0.77 -0.06 0.00 4.57 -0.89 -1.76 114.58 118.03 2qfa h GLU 40 Ca 0.16 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2qfa h GLU 40 Cb 0.47 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2qfa h GLU 40 CO 0.02 0.51 0.00 0.00 -1.18 0.00 0.00 179.01 178.36 2qfa n ALA 41 N -2.44 2.58 -0.17 2.92 0.00 -0.83 -4.89 120.51 117.68 2qfa n ALA 41 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2qfa n ALA 41 Cb 0.20 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2qfa n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qfa n GLY 42 N 0.97 0.69 3.82 0.00 0.00 -0.66 -4.88 105.19 105.13 2qfa n GLY 42 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2qfa n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qfa s PHE 43 N -2.23 3.54 0.17 1.61 0.08 -0.65 -1.48 117.98 119.03 2qfa s PHE 43 Ca 0.00 1.42 0.11 0.00 0.12 0.00 0.00 56.93 58.58 2qfa s PHE 43 Cb 0.00 -2.66 -0.04 0.00 -0.57 0.00 0.00 43.02 39.74 2qfa s PHE 43 CO 0.00 0.21 -0.22 0.96 -0.10 0.00 0.00 175.22 176.07 2qfa s ILE 44 N -1.73 2.53 -0.16 0.64 -4.36 0.11 -4.09 121.20 114.14 2qfa s ILE 44 Ca 0.49 -1.84 -0.21 0.00 -0.26 0.00 0.00 60.65 58.83 2qfa s ILE 44 Cb -0.14 -2.19 -0.03 0.00 1.25 0.00 0.00 42.46 41.35 2qfa s ILE 44 CO 0.20 -0.04 0.64 -2.28 0.24 0.00 0.00 174.94 173.70 2qfa s HIS 45 N -1.46 3.44 -0.48 1.37 5.65 -1.26 -1.08 115.29 121.47 2qfa s HIS 45 Ca 0.19 1.01 0.08 0.00 0.25 0.00 0.00 55.06 56.60 2qfa s HIS 45 Cb -0.09 -2.78 0.30 0.00 -1.18 0.00 0.00 32.58 28.83 2qfa s HIS 45 CO 0.10 -0.08 0.73 0.00 -0.65 0.00 0.00 174.74 174.84 2qfa s PRO 47 N -2.34 3.23 0.33 0.00 0.04 -1.25 -4.62 135.00 130.39 2qfa s PRO 47 Ca 0.41 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.64 2qfa s PRO 47 Cb 0.25 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 2qfa s PRO 47 CO -0.09 -0.88 0.06 0.95 0.04 0.00 0.00 177.00 177.08 2qfa s THR 48 N -2.57 1.18 0.25 1.26 -4.23 -0.97 -4.99 115.64 105.57 2qfa s THR 48 Ca 0.62 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 2qfa s THR 48 Cb -0.16 -2.78 0.34 0.00 1.34 0.00 0.00 72.50 71.24 2qfa s THR 48 CO 0.41 0.00 1.58 -0.08 -0.54 0.00 0.00 174.62 175.98 2qfa h GLU 49 N 2.09 -0.02 -0.02 3.99 4.81 -1.99 -2.09 114.58 121.36 2qfa h GLU 49 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2qfa h GLU 49 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2qfa h GLU 49 CO 0.69 -0.01 -0.28 0.09 -0.73 0.00 0.00 179.01 178.77 2qfa n ASN 50 N -5.54 2.03 -3.25 1.04 3.02 -1.26 -4.47 115.26 106.83 2qfa n ASN 50 Ca 0.12 -1.51 -0.25 0.00 -0.03 0.00 0.00 54.58 52.91 2qfa n ASN 50 Cb 0.43 0.26 -0.07 0.00 -0.61 0.00 0.00 39.78 39.79 2qfa n ASN 50 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qfa n GLU 51 N 0.20 1.57 0.27 3.52 1.02 -0.80 -4.97 120.64 121.45 2qfa n GLU 51 Ca 0.12 -3.87 0.14 0.00 -0.02 0.00 0.00 57.16 53.53 2qfa n GLU 51 Cb 0.47 -1.71 0.71 0.00 -0.02 0.00 0.00 31.44 30.89 2qfa n GLU 51 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2qfa h PRO 52 N 3.88 0.00 -0.37 3.49 0.13 -1.75 -2.51 132.00 134.87 2qfa h PRO 52 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 2qfa h PRO 52 Cb 0.78 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 2qfa h PRO 52 CO 0.62 0.10 0.02 -0.40 -0.23 0.00 0.00 178.00 178.12 2qfa n ASP 53 N -3.36 4.07 -4.69 1.44 5.75 -1.26 -4.66 116.55 113.83 2qfa n ASP 53 Ca -0.01 -3.12 -0.42 0.00 -0.01 0.00 0.00 54.79 51.23 2qfa n ASP 53 Cb 0.28 -0.60 -0.03 0.00 -1.03 0.00 0.00 41.12 39.75 2qfa n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2qfa s LEU 54 N -2.89 4.34 0.15 -2.12 2.96 -1.07 -4.58 118.68 115.46 2qfa s LEU 54 Ca 0.46 2.23 0.07 0.00 -0.22 0.00 0.00 54.13 56.66 2qfa s LEU 54 Cb 0.37 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 2qfa s LEU 54 CO 0.09 -0.74 -0.16 0.00 -1.32 0.00 0.00 176.35 174.22 2qfa s ALA 55 N 2.20 1.80 -0.01 5.97 0.00 -0.44 -0.90 121.76 130.39 2qfa s ALA 55 Ca 0.66 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2qfa s ALA 55 Cb -0.34 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.66 2qfa s ALA 55 CO 0.28 0.16 0.00 -1.14 0.00 0.00 0.00 175.76 175.07 2qfa s GLN 56 N -2.85 0.06 0.16 0.00 0.74 -0.24 -0.81 119.66 116.71 2qfa s GLN 56 Ca 0.14 0.04 -0.31 0.00 0.05 0.00 0.00 55.36 55.28 2qfa s GLN 56 Cb -0.05 -0.14 -0.08 0.00 1.10 0.00 0.00 33.01 33.83 2qfa s GLN 56 CO 0.05 -0.04 1.37 0.00 -0.55 0.00 0.00 175.29 176.12 2qfa h PHE 58 N 6.13 0.00 0.00 0.00 -5.15 -1.61 -1.36 116.94 114.96 2qfa h PHE 58 Ca -0.43 0.00 -0.45 0.00 -0.20 0.00 0.00 57.97 56.89 2qfa h PHE 58 Cb 1.21 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 37.31 2qfa h PHE 58 CO 0.64 0.00 -2.52 0.34 -2.00 0.00 0.00 178.31 174.77 2qfa n PHE 59 N -2.80 0.02 0.81 6.09 -0.00 -1.26 -4.60 117.46 115.71 2qfa n PHE 59 Ca 0.01 0.01 0.08 0.00 -0.00 0.00 0.00 57.45 57.55 2qfa n PHE 59 Cb 0.26 -1.00 -0.08 0.00 -0.00 0.00 0.00 39.48 38.66 2qfa n PHE 59 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2qfa n PHE 61 N -1.13 0.00 -2.23 0.00 3.01 -0.51 -4.89 117.46 111.70 2qfa n PHE 61 Ca 0.04 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.08 2qfa n PHE 61 Cb 0.29 -2.17 -0.03 0.00 -0.01 0.00 0.00 39.48 37.56 2qfa n PHE 61 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2qfa s LYS 62 N -2.63 4.37 -0.14 -1.08 2.47 -1.26 -4.73 119.74 116.74 2qfa s LYS 62 Ca 0.00 2.03 -0.06 0.00 -1.56 0.00 0.00 55.97 56.37 2qfa s LYS 62 Cb 0.00 -3.23 -0.04 0.00 -1.46 0.00 0.00 37.83 33.10 2qfa s LYS 62 CO 0.00 -0.32 0.09 -1.21 0.16 0.00 0.00 175.35 174.07 2qfa s GLU 63 N 0.46 3.59 -0.00 4.03 2.02 -1.26 -1.51 118.70 126.02 2qfa s GLU 63 Ca 0.60 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 55.33 2qfa s GLU 63 Cb -0.36 -3.14 -0.00 0.00 0.10 0.00 0.00 34.13 30.73 2qfa s GLU 63 CO 0.34 0.56 -0.02 -0.51 0.02 0.00 0.00 175.26 175.65 2qfa s LEU 64 N -0.42 1.95 0.00 1.80 1.43 0.01 -5.00 118.68 118.44 2qfa s LEU 64 Ca 0.10 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 2qfa s LEU 64 Cb -0.12 -0.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.94 2qfa s LEU 64 CO 0.02 0.02 0.18 -1.84 0.23 0.00 0.00 176.35 174.97 2qfa n GLU 65 N 3.09 0.36 -2.85 1.70 0.28 -1.26 -1.32 120.64 120.64 2qfa n GLU 65 Ca -0.13 -2.41 -0.08 0.00 -0.16 0.00 0.00 57.16 54.38 2qfa n GLU 65 Cb 0.59 1.85 0.03 0.00 1.43 0.00 0.00 31.44 35.33 2qfa n GLU 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2qfa n GLY 66 N -0.36 0.44 3.78 -1.84 0.00 -1.26 -5.01 105.19 100.93 2qfa n GLY 66 Ca 0.04 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2qfa n GLY 66 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qfa s TRP 67 N -3.09 2.91 0.12 1.61 0.52 -1.26 -5.07 118.94 114.68 2qfa s TRP 67 Ca 0.19 1.57 0.08 0.00 0.02 0.00 0.00 56.10 57.96 2qfa s TRP 67 Cb -0.09 -3.18 -0.04 0.00 -1.15 0.00 0.00 33.47 29.02 2qfa s TRP 67 CO 0.24 -1.12 -0.19 -1.21 0.02 0.00 0.00 176.95 174.69 2qfa s GLU 68 N -3.09 1.15 0.56 4.98 2.02 -1.26 -5.04 118.70 118.02 2qfa s GLU 68 Ca 0.67 -1.23 0.25 0.00 0.02 0.00 0.00 54.97 54.68 2qfa s GLU 68 Cb -0.21 -1.30 1.55 0.00 0.10 0.00 0.00 34.13 34.27 2qfa s GLU 68 CO 0.25 0.29 2.12 -1.00 0.02 0.00 0.00 175.26 176.94 2qfa h PRO 69 N 3.78 0.00 0.00 0.39 0.13 -1.97 -1.46 132.00 132.87 2qfa h PRO 69 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2qfa h PRO 69 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qfa h PRO 69 CO 0.44 0.00 -0.14 -0.40 -0.23 0.00 0.00 178.00 177.67 2qfa n ASP 70 N -4.08 0.30 -4.75 1.44 5.68 -1.26 -1.81 116.55 112.06 2qfa n ASP 70 Ca 0.01 0.34 -0.41 0.00 -0.50 0.00 0.00 54.79 54.23 2qfa n ASP 70 Cb 0.27 -0.36 -0.02 0.00 -1.14 0.00 0.00 41.12 39.87 2qfa n ASP 70 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2qfa s ASP 71 N -3.37 6.61 -0.48 -1.12 1.01 -0.55 -4.78 116.67 113.99 2qfa s ASP 71 Ca 0.12 2.73 -0.19 0.00 0.71 0.00 0.00 52.55 55.92 2qfa s ASP 71 Cb 0.17 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.52 2qfa s ASP 71 CO 0.59 -0.72 0.60 -0.62 0.21 0.00 0.00 175.17 175.23 2qfa s ASP 72 N 0.25 6.24 0.29 0.27 -1.08 -1.26 -3.00 116.67 118.37 2qfa s ASP 72 Ca 0.58 -0.78 0.03 0.00 -0.52 0.00 0.00 52.55 51.86 2qfa s ASP 72 Cb -0.43 -2.29 0.64 0.00 -1.46 0.00 0.00 42.92 39.39 2qfa s ASP 72 CO 0.46 -0.83 1.81 -0.65 0.52 0.00 0.00 175.17 176.48 2qfa h PRO 73 N 8.94 0.87 -0.45 4.34 0.11 -1.86 -0.73 132.00 143.22 2qfa h PRO 73 Ca -0.27 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.71 2qfa h PRO 73 Cb 1.10 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 2qfa h PRO 73 CO 0.93 0.57 -0.03 0.97 -0.21 0.00 0.00 178.00 180.24 2qfa h ILE 74 N 0.89 1.24 -0.33 4.15 6.09 -1.90 -0.60 117.51 127.05 2qfa h ILE 74 Ca 0.53 -1.01 -0.16 0.00 -1.37 0.00 0.00 64.86 62.85 2qfa h ILE 74 Cb 0.67 0.93 -0.01 0.00 0.47 0.00 0.00 36.82 38.89 2qfa h ILE 74 CO -0.31 0.35 -0.43 -0.33 -3.07 0.00 0.00 178.15 174.35 2qfa h GLU 75 N 0.69 0.86 -0.74 2.19 4.39 -1.61 -1.40 114.58 118.97 2qfa h GLU 75 Ca 0.13 -0.48 -0.03 0.00 0.34 0.00 0.00 59.36 59.33 2qfa h GLU 75 Cb 0.47 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 2qfa h GLU 75 CO 0.02 1.12 0.35 0.93 -1.16 0.00 0.00 179.01 180.27 2qfa h GLU 76 N 0.69 1.06 -0.28 2.33 4.39 -1.05 -1.35 114.58 120.38 2qfa h GLU 76 Ca 0.05 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 2qfa h GLU 76 Cb 1.02 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2qfa h GLU 76 CO 0.10 0.84 0.14 1.25 -1.16 0.00 0.00 179.01 180.18 2qfa h HIS 77 N 1.03 0.39 -0.81 4.33 2.76 -0.99 -2.09 115.15 119.77 2qfa h HIS 77 Ca 0.25 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.37 2qfa h HIS 77 Cb 0.13 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 28.93 2qfa h HIS 77 CO 0.01 0.34 0.35 0.87 -1.30 0.00 0.00 177.93 178.19 2qfa h LYS 78 N 0.32 1.19 -0.43 5.26 1.57 -1.09 0.97 116.57 124.37 2qfa h LYS 78 Ca 0.10 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 2qfa h LYS 78 Cb 0.09 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2qfa h LYS 78 CO -0.01 0.95 0.03 -0.22 -0.57 0.00 0.00 179.45 179.62 2qfa h LYS 79 N 1.17 0.74 0.00 3.15 3.11 -1.11 -2.80 116.57 120.83 2qfa h LYS 79 Ca 0.27 -0.22 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2qfa h LYS 79 Cb 0.18 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.34 2qfa h LYS 79 CO -0.03 0.80 -1.03 0.72 -2.81 0.00 0.00 179.45 177.11 2qfa n HIS 80 N -4.44 0.50 -2.95 1.91 8.25 -0.80 -4.57 115.22 113.12 2qfa n HIS 80 Ca -0.00 0.14 -0.14 0.00 -0.26 0.00 0.00 57.72 57.47 2qfa n HIS 80 Cb 0.28 -0.63 0.02 0.00 1.12 0.00 0.00 29.99 30.78 2qfa n HIS 80 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2qfa n SER 81 N -2.22 -0.97 0.06 0.41 2.88 0.32 -5.00 113.62 109.11 2qfa n SER 81 Ca 0.01 -3.30 0.15 0.00 -1.33 0.00 0.00 58.87 54.40 2qfa n SER 81 Cb 0.48 0.71 0.64 0.00 -0.75 0.00 0.00 64.21 65.29 2qfa n SER 81 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2qfa h SER 82 N 3.21 0.07 -0.13 -3.46 4.64 -1.65 -2.06 113.55 114.17 2qfa h SER 82 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2qfa h SER 82 Cb 1.02 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2qfa h SER 82 CO 0.32 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 2qfa n GLY 83 N -1.59 0.23 3.67 -0.77 0.00 -1.26 -4.92 105.19 100.55 2qfa n GLY 83 Ca 0.06 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 2qfa n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qfa h ALA 85 N 9.84 1.28 -1.00 0.00 0.00 -1.91 -2.26 119.26 125.21 2qfa h ALA 85 Ca -0.49 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.38 2qfa h ALA 85 Cb 1.24 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 2qfa h ALA 85 CO 0.94 0.18 0.64 0.35 0.00 0.00 0.00 179.25 181.36 2qfa h PHE 86 N 0.00 1.16 0.00 0.00 3.57 -1.95 -1.93 116.94 117.78 2qfa h PHE 86 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2qfa h PHE 86 Cb 0.39 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2qfa h PHE 86 CO 0.00 0.53 0.00 -0.07 -2.23 0.00 0.00 178.31 176.54 2qfa h LEU 87 N 1.07 0.00 0.00 0.59 3.38 -1.79 -2.89 115.31 115.68 2qfa h LEU 87 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 2qfa h LEU 87 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2qfa h LEU 87 CO -0.22 0.00 -0.46 0.77 0.09 0.00 0.00 178.44 178.63 2qfa h SER 88 N 0.00 0.00 -3.26 -0.43 4.64 -1.45 -3.47 113.55 109.58 2qfa h SER 88 Ca 0.00 -0.11 -0.55 0.00 -0.47 0.00 0.00 61.79 60.66 2qfa h SER 88 Cb 0.37 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 2qfa h SER 88 CO 0.00 0.05 0.55 -0.69 -0.87 0.00 0.00 176.83 175.88 2qfa s VAL 89 N -3.18 4.73 -0.10 0.95 1.01 -1.09 -4.92 120.40 117.79 2qfa s VAL 89 Ca 0.06 1.99 0.21 0.00 0.00 0.00 0.00 61.98 64.24 2qfa s VAL 89 Cb 0.12 -4.28 -0.26 0.00 0.00 0.00 0.00 36.38 31.95 2qfa s VAL 89 CO 0.69 0.03 0.48 0.29 0.00 0.00 0.00 175.10 176.59 2qfa n LYS 90 N 4.85 0.66 -2.74 2.72 5.02 -1.26 -4.93 118.16 122.48 2qfa n LYS 90 Ca 0.09 -0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 2qfa n LYS 90 Cb 0.49 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 2qfa n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2qfa s LYS 91 N -3.21 4.14 0.30 1.97 2.20 -1.26 -5.03 119.74 118.84 2qfa s LYS 91 Ca -0.07 1.21 -0.29 0.00 -0.36 0.00 0.00 55.97 56.45 2qfa s LYS 91 Cb 0.11 -2.20 -0.10 0.00 -1.51 0.00 0.00 37.83 34.13 2qfa s LYS 91 CO 0.87 -0.12 1.21 -0.65 -0.36 0.00 0.00 175.35 176.30 2qfa s GLN 92 N -3.11 4.49 0.40 4.03 -1.52 -1.26 -4.92 119.66 117.77 2qfa s GLN 92 Ca 0.63 2.01 0.11 0.00 -1.95 0.00 0.00 55.36 56.16 2qfa s GLN 92 Cb -0.12 -3.14 0.84 0.00 -0.22 0.00 0.00 33.01 30.38 2qfa s GLN 92 CO 0.16 -0.01 1.94 0.74 -0.25 0.00 0.00 175.29 177.87 2qfa h PHE 93 N 3.77 0.20 0.00 0.91 0.04 -1.96 -1.21 116.94 118.69 2qfa h PHE 93 Ca -0.48 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.28 2qfa h PHE 93 Cb 1.22 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.31 2qfa h PHE 93 CO 0.58 0.32 0.00 -0.85 -0.60 0.00 0.00 178.31 177.76 2qfa n GLU 94 N -4.30 0.07 0.00 1.51 0.00 -1.26 -2.43 120.64 114.24 2qfa n GLU 94 Ca -0.01 0.22 0.09 0.00 0.00 0.00 0.00 57.16 57.47 2qfa n GLU 94 Cb 0.25 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.25 2qfa n GLU 94 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2qfa n GLU 95 N -1.42 1.58 -1.96 3.44 -0.58 -0.46 -5.01 120.64 116.23 2qfa n GLU 95 Ca 0.05 -1.43 -0.39 0.00 -0.42 0.00 0.00 57.16 54.97 2qfa n GLU 95 Cb 0.14 -1.35 0.01 0.00 -0.57 0.00 0.00 31.44 29.68 2qfa n GLU 95 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2qfa s LEU 96 N -1.69 4.03 0.85 -4.62 1.43 -1.02 -5.01 118.68 112.66 2qfa s LEU 96 Ca 0.20 2.66 -0.12 0.00 -1.03 0.00 0.00 54.13 55.84 2qfa s LEU 96 Cb 0.15 -4.11 0.10 0.00 0.03 0.00 0.00 46.19 42.37 2qfa s LEU 96 CO 0.28 -1.17 1.10 0.42 0.23 0.00 0.00 176.35 177.22 2qfa s THR 97 N -1.33 2.72 0.23 5.49 -4.23 -1.26 -4.82 115.64 112.45 2qfa s THR 97 Ca 0.64 0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 61.31 2qfa s THR 97 Cb -0.38 -2.90 0.21 0.00 1.34 0.00 0.00 72.50 70.77 2qfa s THR 97 CO 0.47 -0.31 1.89 0.25 -0.54 0.00 0.00 174.62 176.38 2qfa h LEU 98 N -1.33 0.95 -0.47 4.79 5.85 -1.98 0.70 115.31 123.82 2qfa h LEU 98 Ca -0.49 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 2qfa h LEU 98 Cb 1.29 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2qfa h LEU 98 CO 0.58 0.66 0.09 1.23 -0.34 0.00 0.00 178.44 180.67 2qfa h GLY 99 N 1.12 0.83 1.01 3.75 0.00 -1.99 -0.10 103.07 107.69 2qfa h GLY 99 Ca 0.34 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 2qfa h GLY 99 CO -0.11 0.50 0.27 0.83 0.00 0.00 0.00 176.54 178.04 2qfa h GLU 100 N 0.65 1.00 -0.10 4.80 5.08 -1.84 -2.00 114.58 122.17 2qfa h GLU 100 Ca 0.15 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2qfa h GLU 100 Cb 0.36 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2qfa h GLU 100 CO 0.01 0.83 0.04 0.35 -1.00 0.00 0.00 179.01 179.23 2qfa h PHE 101 N 0.95 0.15 -0.18 4.33 3.57 -0.66 -2.61 116.94 122.48 2qfa h PHE 101 Ca 0.22 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 2qfa h PHE 101 Cb 0.20 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2qfa h PHE 101 CO 0.01 0.26 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.15 2qfa h LEU 102 N -0.01 0.28 -0.95 0.59 3.38 -0.89 0.27 115.31 117.98 2qfa h LEU 102 Ca 0.03 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2qfa h LEU 102 Cb 0.17 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2qfa h LEU 102 CO -0.00 0.44 -0.01 0.11 0.09 0.00 0.00 178.44 179.06 2qfa h LYS 103 N 0.28 0.75 -0.08 1.13 1.57 -1.22 -0.24 116.57 118.76 2qfa h LYS 103 Ca 0.05 -0.20 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 2qfa h LYS 103 Cb 0.41 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.64 2qfa h LYS 103 CO 0.02 0.77 -0.62 -0.07 -0.57 0.00 0.00 179.45 178.99 2qfa h LEU 104 N 0.70 0.68 -1.46 2.94 3.38 -1.00 -3.28 115.31 117.27 2qfa h LEU 104 Ca 0.14 -0.67 -0.06 0.00 0.09 0.00 0.00 57.88 57.38 2qfa h LEU 104 Cb 0.45 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2qfa h LEU 104 CO 0.02 1.25 -0.27 -0.78 0.09 0.00 0.00 178.44 178.75 2qfa h ASP 105 N 0.16 0.00 -0.74 -0.43 3.58 -0.27 -0.41 116.42 118.32 2qfa h ASP 105 Ca -0.06 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.52 2qfa h ASP 105 Cb 1.28 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.24 2qfa h ASP 105 CO 0.13 0.27 0.31 -0.09 -2.88 0.00 0.00 179.24 176.97 2qfa h ARG 106 N 0.00 0.46 -0.24 0.28 2.43 -1.10 0.14 114.38 116.34 2qfa h ARG 106 Ca -0.00 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 2qfa h ARG 106 Cb 0.54 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2qfa h ARG 106 CO 0.04 0.30 -0.56 0.93 -1.51 0.00 0.00 179.97 179.17 2qfa h GLU 107 N 0.47 0.81 -0.56 0.20 4.39 -1.18 -1.59 114.58 117.12 2qfa h GLU 107 Ca 0.40 -0.55 0.03 0.00 0.34 0.00 0.00 59.36 59.58 2qfa h GLU 107 Cb 0.56 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 2qfa h GLU 107 CO -0.37 1.17 0.33 -0.09 -1.16 0.00 0.00 179.01 178.89 2qfa h ARG 108 N 0.56 0.64 -0.56 2.33 2.43 -0.90 0.13 114.38 119.01 2qfa h ARG 108 Ca -0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2qfa h ARG 108 Cb 1.18 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 2qfa h ARG 108 CO 0.12 0.42 0.28 0.00 -1.51 0.00 0.00 179.97 179.28 2qfa h ALA 109 N 1.25 0.72 -0.69 2.80 0.00 -0.65 -0.17 119.26 122.52 2qfa h ALA 109 Ca 0.23 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2qfa h ALA 109 Cb 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2qfa h ALA 109 CO -0.10 0.28 0.13 0.87 0.00 0.00 0.00 179.25 180.43 2qfa h LYS 110 N 0.76 1.13 -0.70 0.00 1.57 -1.01 -1.61 116.57 116.72 2qfa h LYS 110 Ca 0.19 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 2qfa h LYS 110 Cb 0.11 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2qfa h LYS 110 CO -0.03 1.02 0.19 -0.91 -0.57 0.00 0.00 179.45 179.16 2qfa h ASN 111 N 1.06 1.02 -0.03 0.86 2.35 -0.01 0.28 115.58 121.13 2qfa h ASN 111 Ca 0.21 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2qfa h ASN 111 Cb 0.42 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 2qfa h ASN 111 CO 0.01 0.97 0.01 0.50 -1.65 0.00 0.00 177.43 177.26 2qfa h LYS 112 N 1.04 0.05 -0.64 0.81 3.64 -0.86 -1.95 116.57 118.65 2qfa h LYS 112 Ca 0.22 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 2qfa h LYS 112 Cb 0.33 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2qfa h LYS 112 CO -0.00 0.28 0.14 0.82 -2.27 0.00 0.00 179.45 178.41 2qfa h ILE 113 N -0.19 1.25 -0.63 2.00 2.04 -1.12 -1.45 117.51 119.41 2qfa h ILE 113 Ca 0.01 -0.95 0.03 0.00 1.00 0.00 0.00 64.86 64.95 2qfa h ILE 113 Cb 0.25 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2qfa h ILE 113 CO 0.00 0.36 0.38 0.00 0.00 0.00 0.00 178.15 178.89 2qfa h ALA 114 N 1.17 0.82 -0.16 1.87 0.00 -0.33 -0.21 119.26 122.42 2qfa h ALA 114 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2qfa h ALA 114 Cb 0.37 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qfa h ALA 114 CO 0.00 0.11 -0.04 -0.22 0.00 0.00 0.00 179.25 179.10 2qfa h LYS 115 N 0.74 0.31 -0.48 0.00 3.64 -1.00 -1.28 116.57 118.50 2qfa h LYS 115 Ca 0.26 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 2qfa h LYS 115 Cb 0.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2qfa h LYS 115 CO -0.11 0.60 -0.20 0.93 -2.27 0.00 0.00 179.45 178.39 2qfa h GLU 116 N 0.01 0.97 -0.16 1.90 5.08 -1.11 -0.46 114.58 120.81 2qfa h GLU 116 Ca 0.04 -0.40 -0.15 0.00 -1.00 0.00 0.00 59.36 57.85 2qfa h GLU 116 Cb 0.48 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2qfa h GLU 116 CO 0.02 1.08 -0.53 1.79 -1.00 0.00 0.00 179.01 180.36 2qfa h THR 117 N 0.85 1.33 -0.59 1.13 1.35 -1.07 -1.78 112.91 114.13 2qfa h THR 117 Ca 0.11 -1.79 -0.07 0.00 -0.55 0.00 0.00 66.41 64.11 2qfa h THR 117 Cb 0.77 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 2qfa h THR 117 CO 0.06 0.55 0.09 -1.13 -0.25 0.00 0.00 175.52 174.84 2qfa h ASN 118 N 0.36 0.91 -0.92 5.36 -1.24 -0.98 0.18 115.58 119.25 2qfa h ASN 118 Ca 0.01 -0.20 0.02 0.00 0.71 0.00 0.00 56.30 56.83 2qfa h ASN 118 Cb 1.05 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.82 2qfa h ASN 118 CO 0.10 0.92 0.60 0.78 -1.29 0.00 0.00 177.43 178.53 2qfa h ASN 119 N 0.90 1.03 -0.34 1.15 2.35 -0.78 0.03 115.58 119.93 2qfa h ASN 119 Ca 0.18 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.75 2qfa h ASN 119 Cb 0.40 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 2qfa h ASN 119 CO 0.01 0.74 -0.41 0.50 -1.65 0.00 0.00 177.43 176.62 2qfa h LYS 120 N 1.21 0.88 -0.66 0.81 1.63 -0.94 -0.26 116.57 119.23 2qfa h LYS 120 Ca 0.35 -0.49 0.06 0.00 -0.85 0.00 0.00 60.65 59.71 2qfa h LYS 120 Cb -0.10 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.51 2qfa h LYS 120 CO -0.09 1.13 0.37 -0.22 -3.45 0.00 0.00 179.45 177.20 2qfa h LYS 121 N 0.67 0.68 -0.31 1.90 3.64 -0.67 -1.62 116.57 120.86 2qfa h LYS 121 Ca 0.04 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2qfa h LYS 121 Cb 1.01 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2qfa h LYS 121 CO 0.10 0.45 -0.11 0.87 -2.27 0.00 0.00 179.45 178.48 2qfa h LYS 122 N 0.70 0.53 -0.73 1.90 1.57 -0.61 -0.77 116.57 119.15 2qfa h LYS 122 Ca 0.29 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2qfa h LYS 122 Cb 0.17 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2qfa h LYS 122 CO -0.17 0.64 0.47 1.49 -0.57 0.00 0.00 179.45 181.31 2qfa h GLU 123 N 0.49 0.91 -0.22 3.15 4.81 -0.32 0.21 114.58 123.61 2qfa h GLU 123 Ca 0.09 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2qfa h GLU 123 Cb 0.49 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2qfa h GLU 123 CO 0.03 0.60 0.09 0.35 -0.73 0.00 0.00 179.01 179.35 2qfa h PHE 124 N 0.94 0.33 -0.66 0.92 3.57 -0.77 -0.81 116.94 120.46 2qfa h PHE 124 Ca 0.28 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 2qfa h PHE 124 Cb -0.04 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 2qfa h PHE 124 CO -0.03 0.36 0.28 0.93 -2.23 0.00 0.00 178.31 177.61 2qfa h GLU 125 N 0.20 0.97 -0.19 1.11 5.08 -0.74 0.65 114.58 121.66 2qfa h GLU 125 Ca 0.07 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2qfa h GLU 125 Cb 0.17 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2qfa h GLU 125 CO -0.01 0.80 0.10 0.93 -1.00 0.00 0.00 179.01 179.84 2qfa h GLU 126 N 0.92 0.27 -0.89 2.33 5.08 -0.54 -1.36 114.58 120.39 2qfa h GLU 126 Ca 0.22 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2qfa h GLU 126 Cb 0.18 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2qfa h GLU 126 CO -0.02 0.27 0.51 1.15 -1.00 0.00 0.00 179.01 179.92 2qfa h THR 127 N 0.20 1.25 -0.54 1.13 2.02 -0.86 -1.34 112.91 114.77 2qfa h THR 127 Ca 0.07 -0.60 -0.07 0.00 0.77 0.00 0.00 66.41 66.57 2qfa h THR 127 Cb 0.08 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 2qfa h THR 127 CO -0.01 0.28 0.06 0.00 0.37 0.00 0.00 175.52 176.22 2qfa h ALA 128 N 1.31 1.08 -0.48 6.16 0.00 -0.57 0.15 119.26 126.91 2qfa h ALA 128 Ca 0.32 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2qfa h ALA 128 Cb -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2qfa h ALA 128 CO -0.05 0.59 -0.07 0.87 0.00 0.00 0.00 179.25 180.59 2qfa h LYS 129 N 0.83 0.90 -0.57 0.00 1.79 -0.75 -0.58 116.57 118.18 2qfa h LYS 129 Ca 0.17 -0.32 -0.10 0.00 -2.18 0.00 0.00 60.65 58.22 2qfa h LYS 129 Cb 0.41 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2qfa h LYS 129 CO 0.01 0.97 -0.04 0.87 -1.08 0.00 0.00 179.45 180.18 2qfa h LYS 130 N 0.75 1.03 -0.61 3.15 1.57 -0.87 -2.02 116.57 119.57 2qfa h LYS 130 Ca 0.13 -0.35 -0.07 0.00 -1.87 0.00 0.00 60.65 58.49 2qfa h LYS 130 Cb 0.61 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 2qfa h LYS 130 CO 0.04 1.04 0.10 0.28 -0.57 0.00 0.00 179.45 180.34 2qfa h VAL 131 N 0.92 1.25 -0.43 0.50 2.07 -0.62 -0.80 116.25 119.14 2qfa h VAL 131 Ca 0.16 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.72 2qfa h VAL 131 Cb 0.60 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2qfa h VAL 131 CO 0.04 0.37 0.24 -0.09 0.02 0.00 0.00 177.57 178.14 2qfa h ARG 132 N 0.94 0.46 -0.55 1.57 2.43 -0.81 0.63 114.38 119.06 2qfa h ARG 132 Ca 0.19 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2qfa h ARG 132 Cb 0.40 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2qfa h ARG 132 CO 0.01 0.31 0.17 0.00 -1.51 0.00 0.00 179.97 178.94 2qfa h ARG 133 N 0.48 0.82 -0.64 0.20 2.47 -1.11 -2.25 114.38 114.34 2qfa h ARG 133 Ca 0.18 -0.15 -0.09 0.00 -1.26 0.00 0.00 59.98 58.66 2qfa h ARG 133 Cb 0.05 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 2qfa h ARG 133 CO -0.10 0.71 0.06 0.00 0.56 0.00 0.00 179.97 181.19 2qfa h ALA 134 N 1.39 0.88 -0.26 0.04 0.00 -0.30 0.12 119.26 121.13 2qfa h ALA 134 Ca 0.18 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2qfa h ALA 134 Cb 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2qfa h ALA 134 CO -0.01 0.67 0.13 0.82 0.00 0.00 0.00 179.25 180.86 2qfa h ILE 135 N 1.01 0.99 -0.89 0.00 2.04 -0.63 0.17 117.51 120.19 2qfa h ILE 135 Ca 0.19 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 2qfa h ILE 135 Cb 0.50 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 2qfa h ILE 135 CO 0.02 0.05 0.50 -0.33 0.00 0.00 0.00 178.15 178.39 2qfa h GLU 136 N 0.27 1.24 -0.49 2.37 5.08 -1.13 -1.01 114.58 120.90 2qfa h GLU 136 Ca 0.11 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2qfa h GLU 136 Cb 0.04 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2qfa h GLU 136 CO -0.08 0.90 0.19 0.37 -1.00 0.00 0.00 179.01 179.39 2qfa h GLN 137 N 1.24 0.74 -0.69 2.33 4.15 -0.40 -2.26 115.11 120.21 2qfa h GLN 137 Ca 0.31 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 2qfa h GLN 137 Cb 0.02 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 2qfa h GLN 137 CO -0.05 0.66 0.34 -0.07 -1.93 0.00 0.00 178.83 177.78 2qfa h LEU 138 N 0.65 0.91 -1.88 -2.39 3.38 -0.37 -2.06 115.31 113.55 2qfa h LEU 138 Ca 0.16 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2qfa h LEU 138 Cb 0.20 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2qfa h LEU 138 CO -0.01 0.78 -0.13 0.00 0.09 0.00 0.00 178.44 179.17 2qfa h ALA 139 N 1.16 1.52 -0.01 1.53 0.00 -0.98 -1.81 119.26 120.67 2qfa h ALA 139 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qfa h ALA 139 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qfa h ALA 139 CO -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.34 2qfa n ALA 140 N -2.39 2.68 1.97 0.00 0.00 -0.79 -5.10 120.51 116.87 2qfa n ALA 140 Ca -0.02 -0.30 0.16 0.00 0.00 0.00 0.00 53.44 53.28 2qfa n ALA 140 Cb 0.21 -1.35 0.94 0.00 0.00 0.00 0.00 19.45 19.25 2qfa n ALA 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17