#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qie s LYS 2 N 0.00 3.49 -0.12 2.12 2.20 -1.04 -1.45 119.74 124.94 2qie s LYS 2 Ca 0.00 -0.64 -0.13 0.00 -0.36 0.00 0.00 55.97 54.84 2qie s LYS 2 Cb 0.00 -3.75 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 2qie s LYS 2 CO 0.00 -0.42 0.29 0.08 -0.36 0.00 0.00 175.35 174.94 2qie s VAL 3 N 1.70 5.28 -0.05 4.02 1.01 0.69 -0.80 120.40 132.25 2qie s VAL 3 Ca 0.06 0.56 0.04 0.00 0.00 0.00 0.00 61.98 62.64 2qie s VAL 3 Cb -0.17 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2qie s VAL 3 CO 0.10 0.46 -0.16 -0.76 0.00 0.00 0.00 175.10 174.73 2qie s LEU 4 N -0.04 2.60 0.03 3.92 1.43 0.09 -1.36 118.68 125.36 2qie s LEU 4 Ca 0.18 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 2qie s LEU 4 Cb -0.14 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 2qie s LEU 4 CO 0.06 0.32 -0.23 -0.31 0.23 0.00 0.00 176.35 176.42 2qie s TYR 5 N -0.58 2.04 0.05 0.29 1.51 -0.47 -1.92 117.35 118.27 2qie s TYR 5 Ca 0.08 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.73 2qie s TYR 5 Cb -0.11 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 2qie s TYR 5 CO 0.01 0.07 0.00 -0.06 -1.11 0.00 0.00 175.55 174.46 2qie s PHE 6 N -0.74 0.45 0.00 2.71 0.40 -1.26 -4.57 117.98 114.97 2qie s PHE 6 Ca 0.09 -0.96 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 2qie s PHE 6 Cb -0.09 -0.33 0.00 0.00 0.51 0.00 0.00 43.02 43.11 2qie s PHE 6 CO 0.01 -0.39 0.00 0.00 0.70 0.00 0.00 175.22 175.54 2qie n ALA 7 N 0.20 0.00 0.17 5.36 0.00 -1.26 -2.66 120.51 122.32 2qie n ALA 7 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.31 2qie n ALA 7 Cb 0.61 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.36 2qie n ALA 7 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2qie h GLU 8 N 0.00 0.00 -0.07 0.00 4.81 -1.99 -2.61 114.58 114.72 2qie h GLU 8 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2qie h GLU 8 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 2qie h GLU 8 CO 0.00 0.45 -0.57 0.82 -0.73 0.00 0.00 179.01 178.99 2qie h ILE 9 N 0.00 1.37 -0.70 2.32 2.04 -1.91 -0.32 117.51 120.31 2qie h ILE 9 Ca -0.00 -1.92 0.14 0.00 1.00 0.00 0.00 64.86 64.07 2qie h ILE 9 Cb 0.84 2.31 -0.10 0.00 -0.74 0.00 0.00 36.82 39.13 2qie h ILE 9 CO 0.06 0.57 0.22 0.50 0.00 0.00 0.00 178.15 179.51 2qie h LYS 10 N 0.09 0.34 -0.27 2.37 3.64 -1.48 0.99 116.57 122.26 2qie h LYS 10 Ca -0.05 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2qie h LYS 10 Cb 1.23 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2qie h LYS 10 CO 0.12 0.23 0.08 -0.44 -2.27 0.00 0.00 179.45 177.16 2qie h ASP 11 N 0.35 0.39 0.01 4.20 3.32 -1.24 -1.62 116.42 121.83 2qie h ASP 11 Ca 0.38 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2qie h ASP 11 Cb 0.59 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2qie h ASP 11 CO -0.42 0.49 -0.00 0.40 -1.72 0.00 0.00 179.24 177.98 2qie h ILE 12 N 0.27 1.27 0.00 0.35 2.04 -0.53 -2.96 117.51 117.96 2qie h ILE 12 Ca 0.09 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2qie h ILE 12 Cb 0.24 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2qie h ILE 12 CO -0.00 0.22 0.00 0.18 0.00 0.00 0.00 178.15 178.54 2qie n LEU 13 N -4.92 0.00 -3.45 1.44 4.77 0.29 -4.87 117.00 110.26 2qie n LEU 13 Ca -0.08 0.50 -0.25 0.00 -0.03 0.00 0.00 56.01 56.14 2qie n LEU 13 Cb 0.19 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2qie n LEU 13 CO 0.33 -0.23 0.05 0.00 -1.33 0.00 0.00 177.39 176.22 2qie n GLN 14 N -1.50 -5.09 -3.52 3.23 1.13 -0.63 -4.96 117.38 106.04 2qie n GLN 14 Ca 0.04 0.69 -0.17 0.00 -1.94 0.00 0.00 57.00 55.62 2qie n GLN 14 Cb 0.18 -5.55 -0.06 0.00 0.11 0.00 0.00 30.24 24.92 2qie n GLN 14 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2qie s LYS 15 N -6.14 1.03 -0.09 -1.09 -2.85 -1.07 -5.06 119.74 104.47 2qie s LYS 15 Ca 0.48 0.21 0.10 0.00 -1.00 0.00 0.00 55.97 55.75 2qie s LYS 15 Cb -0.23 0.49 -0.24 0.00 -2.06 0.00 0.00 37.83 35.79 2qie s LYS 15 CO 0.59 -0.33 0.48 0.00 0.10 0.00 0.00 175.35 176.18 2qie n ALA 16 N 0.82 1.40 -3.81 0.59 0.00 -1.26 -4.50 120.51 113.75 2qie n ALA 16 Ca -0.18 -0.85 -0.08 0.00 0.00 0.00 0.00 53.44 52.33 2qie n ALA 16 Cb 0.58 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 2qie n ALA 16 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2qie s GLN 17 N -2.57 1.88 0.15 0.00 -2.07 -1.26 -1.37 119.66 114.41 2qie s GLN 17 Ca -0.10 -1.11 -0.25 0.00 -1.82 0.00 0.00 55.36 52.09 2qie s GLN 17 Cb 0.07 0.61 0.06 0.00 -1.09 0.00 0.00 33.01 32.66 2qie s GLN 17 CO 0.81 -0.86 0.86 -1.83 -1.32 0.00 0.00 175.29 172.95 2qie s GLU 18 N -3.57 1.25 -0.18 9.60 -1.05 -0.46 -5.00 118.70 119.29 2qie s GLU 18 Ca 0.13 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 2qie s GLU 18 Cb -0.05 0.46 0.01 0.00 -0.44 0.00 0.00 34.13 34.11 2qie s GLU 18 CO 0.08 -0.56 -0.17 -0.51 0.95 0.00 0.00 175.26 175.05 2qie s ASP 19 N -2.83 3.41 -0.14 0.83 1.01 -1.26 -0.22 116.67 117.48 2qie s ASP 19 Ca 0.09 -0.57 -0.00 0.00 0.71 0.00 0.00 52.55 52.78 2qie s ASP 19 Cb -0.02 -1.53 -0.01 0.00 1.01 0.00 0.00 42.92 42.36 2qie s ASP 19 CO -0.01 0.02 -0.13 -0.63 0.21 0.00 0.00 175.17 174.63 2qie s ILE 20 N 1.18 2.96 0.03 0.77 1.01 -0.53 -4.96 121.20 121.67 2qie s ILE 20 Ca 0.02 -0.69 -0.30 0.00 0.00 0.00 0.00 60.65 59.68 2qie s ILE 20 Cb -0.14 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2qie s ILE 20 CO -0.08 0.52 1.01 -0.69 0.00 0.00 0.00 174.94 175.70 2qie s VAL 21 N 0.47 4.68 -0.10 2.92 1.01 -1.26 -2.34 120.40 125.78 2qie s VAL 21 Ca -0.10 1.97 0.04 0.00 0.00 0.00 0.00 61.98 63.89 2qie s VAL 21 Cb -0.16 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 2qie s VAL 21 CO 0.05 0.18 -0.22 -0.76 0.00 0.00 0.00 175.10 174.34 2qie s LEU 22 N 0.84 2.19 -0.10 3.92 2.01 -1.26 -5.00 118.68 121.28 2qie s LEU 22 Ca 0.52 -0.51 -0.28 0.00 0.01 0.00 0.00 54.13 53.87 2qie s LEU 22 Cb -0.23 -1.44 -0.24 0.00 0.01 0.00 0.00 46.19 44.29 2qie s LEU 22 CO 0.29 0.18 0.92 -0.33 1.01 0.00 0.00 176.35 178.42 2qie h GLU 23 N 6.55 0.01 -5.47 1.70 5.08 -1.99 -3.45 114.58 117.01 2qie h GLU 23 Ca -0.23 -0.01 -0.47 0.00 -1.00 0.00 0.00 59.36 57.65 2qie h GLU 23 Cb 1.22 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 2qie h GLU 23 CO 0.48 0.85 -0.68 1.14 -1.00 0.00 0.00 179.01 179.80 2qie s GLN 24 N -2.83 1.48 0.73 2.33 -2.07 -1.26 -4.97 119.66 113.08 2qie s GLN 24 Ca -0.18 -1.74 -0.14 0.00 -1.82 0.00 0.00 55.36 51.48 2qie s GLN 24 Cb -0.02 -1.08 0.04 0.00 -1.09 0.00 0.00 33.01 30.86 2qie s GLN 24 CO 0.69 0.05 1.16 0.00 -1.32 0.00 0.00 175.29 175.87 2qie s ALA 25 N -3.05 2.18 0.08 2.60 0.00 -1.26 -4.72 121.76 117.58 2qie s ALA 25 Ca 0.28 0.71 -0.16 0.00 0.00 0.00 0.00 51.96 52.79 2qie s ALA 25 Cb 0.03 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.78 2qie s ALA 25 CO 0.11 -1.75 0.39 -0.48 0.00 0.00 0.00 175.76 174.02 2qie s LEU 26 N -5.23 0.50 0.65 0.00 2.34 -0.83 -4.98 118.68 111.14 2qie s LEU 26 Ca 0.70 -0.17 -0.12 0.00 0.06 0.00 0.00 54.13 54.60 2qie s LEU 26 Cb -0.25 1.70 -0.01 0.00 -0.56 0.00 0.00 46.19 47.07 2qie s LEU 26 CO 0.46 -0.74 1.05 0.42 -1.06 0.00 0.00 176.35 176.48 2qie s THR 27 N -3.06 4.06 0.28 5.48 -4.23 -1.26 -0.10 115.64 116.80 2qie s THR 27 Ca -0.02 0.76 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 2qie s THR 27 Cb 0.01 -3.45 0.28 0.00 1.34 0.00 0.00 72.50 70.68 2qie s THR 27 CO -0.07 -0.78 1.86 0.58 -0.54 0.00 0.00 174.62 175.67 2qie h VAL 28 N -0.31 0.98 -0.09 2.29 2.07 -1.02 0.25 116.25 120.42 2qie h VAL 28 Ca -0.45 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 66.74 2qie h VAL 28 Cb 1.21 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2qie h VAL 28 CO 0.58 0.19 -0.08 -0.61 0.02 0.00 0.00 177.57 177.67 2qie h GLN 29 N 1.05 -0.09 -0.31 1.57 5.75 -1.60 -0.80 115.11 120.69 2qie h GLN 29 Ca 0.47 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.93 2qie h GLN 29 Cb 0.37 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 2qie h GLN 29 CO -0.22 -0.06 0.01 1.96 -2.65 0.00 0.00 178.83 177.87 2qie h GLN 30 N -0.09 0.46 -0.46 1.69 4.20 -1.63 -2.12 115.11 117.16 2qie h GLN 30 Ca 0.06 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2qie h GLN 30 Cb 0.18 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2qie h GLN 30 CO -0.15 0.48 0.21 0.35 -0.67 0.00 0.00 178.83 179.05 2qie h PHE 31 N 0.45 0.67 -0.70 2.96 3.57 -0.49 -2.08 116.94 121.32 2qie h PHE 31 Ca 0.10 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2qie h PHE 31 Cb 0.27 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2qie h PHE 31 CO 0.01 0.55 0.45 0.93 -2.23 0.00 0.00 178.31 178.02 2qie h GLU 32 N 0.60 0.93 -0.85 1.11 5.08 -0.66 -1.08 114.58 119.72 2qie h GLU 32 Ca 0.16 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 2qie h GLU 32 Cb 0.14 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 2qie h GLU 32 CO -0.02 0.63 0.53 -0.44 -1.00 0.00 0.00 179.01 178.71 2qie h ASP 33 N 0.95 0.83 -0.33 1.42 3.32 -1.28 0.10 116.42 121.44 2qie h ASP 33 Ca 0.26 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 2qie h ASP 33 Cb -0.09 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2qie h ASP 33 CO -0.05 0.54 0.16 0.25 -1.72 0.00 0.00 179.24 178.42 2qie h LEU 34 N 0.97 0.44 -0.51 1.55 7.12 -0.96 -2.44 115.31 121.48 2qie h LEU 34 Ca 0.37 -0.13 -0.07 0.00 0.13 0.00 0.00 57.88 58.18 2qie h LEU 34 Cb 0.15 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.15 2qie h LEU 34 CO -0.17 0.44 0.03 0.25 -0.13 0.00 0.00 178.44 178.86 2qie h LEU 35 N 0.40 0.86 -0.60 2.25 5.85 -0.70 -2.65 115.31 120.72 2qie h LEU 35 Ca 0.11 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 2qie h LEU 35 Cb 0.12 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2qie h LEU 35 CO -0.01 0.94 -0.56 -0.26 -0.34 0.00 0.00 178.44 178.21 2qie h PHE 36 N 0.76 0.00 -0.03 1.25 0.05 -0.99 0.88 116.94 118.85 2qie h PHE 36 Ca 0.15 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.78 2qie h PHE 36 Cb 0.48 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.42 2qie h PHE 36 CO 0.04 0.56 -0.72 1.49 -0.18 0.00 0.00 178.31 179.50 2qie h GLU 37 N 0.00 0.15 -0.06 1.51 4.81 -1.37 -2.62 114.58 117.00 2qie h GLU 37 Ca -0.01 -0.13 -0.24 0.00 -0.13 0.00 0.00 59.36 58.85 2qie h GLU 37 Cb 1.16 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.59 2qie h GLU 37 CO 0.07 0.81 -0.92 -0.09 -0.73 0.00 0.00 179.01 178.15 2qie h ARG 38 N 0.10 0.70 -2.11 1.92 2.43 -1.33 -3.41 114.38 112.69 2qie h ARG 38 Ca -0.02 -0.67 -0.56 0.00 -0.81 0.00 0.00 59.98 57.92 2qie h ARG 38 Cb 1.27 0.17 -0.41 0.00 -0.42 0.00 0.00 29.97 30.59 2qie h ARG 38 CO 0.11 1.27 -0.90 0.66 -1.51 0.00 0.00 179.97 179.59 2qie n TYR 39 N -3.88 1.70 -0.30 2.20 0.53 0.29 -4.95 117.16 112.75 2qie n TYR 39 Ca -0.09 -3.87 0.34 0.00 -1.02 0.00 0.00 57.90 53.26 2qie n TYR 39 Cb 0.82 -0.45 0.74 0.00 -1.03 0.00 0.00 39.34 39.42 2qie n TYR 39 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 2qie h PRO 40 N 3.58 0.01 0.00 -0.72 0.13 -1.70 -1.03 132.00 132.27 2qie h PRO 40 Ca 0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2qie h PRO 40 Cb 0.77 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2qie h PRO 40 CO 0.64 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 2qie n GLN 41 N -4.21 0.13 -0.33 0.86 0.00 -1.26 -1.50 117.38 111.07 2qie n GLN 41 Ca 0.25 0.55 0.08 0.00 0.00 0.00 0.00 57.00 57.87 2qie n GLN 41 Cb 1.20 -1.86 0.22 0.00 0.00 0.00 0.00 30.24 29.80 2qie n GLN 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 2qie n ILE 42 N -2.12 2.00 0.94 -0.39 -5.35 -0.39 -4.73 119.36 109.31 2qie n ILE 42 Ca -0.00 -1.79 0.11 0.00 -0.27 0.00 0.00 62.75 60.80 2qie n ILE 42 Cb 0.09 -0.12 0.53 0.00 -1.74 0.00 0.00 39.64 38.40 2qie n ILE 42 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2qie n ASN 43 N -0.53 0.00 -0.55 7.28 0.23 -0.56 -2.88 115.26 118.25 2qie n ASN 43 Ca 0.18 0.24 0.05 0.00 -0.53 0.00 0.00 54.58 54.53 2qie n ASN 43 Cb 0.76 -0.40 0.14 0.00 -2.08 0.00 0.00 39.78 38.20 2qie n ASN 43 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2qie n ASN 44 N -1.40 2.88 -4.77 0.53 5.15 -1.26 -5.01 115.26 111.37 2qie n ASN 44 Ca 0.08 -2.14 -0.36 0.00 -0.60 0.00 0.00 54.58 51.56 2qie n ASN 44 Cb 0.23 -0.24 -0.08 0.00 -0.53 0.00 0.00 39.78 39.17 2qie n ASN 44 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2qie s LYS 45 N -1.25 3.84 0.34 1.20 -0.14 -1.14 -5.08 119.74 117.52 2qie s LYS 45 Ca 0.22 -0.21 -0.27 0.00 -1.36 0.00 0.00 55.97 54.34 2qie s LYS 45 Cb 0.13 -3.28 -0.09 0.00 -1.68 0.00 0.00 37.83 32.91 2qie s LYS 45 CO 0.12 0.48 1.12 0.15 -0.76 0.00 0.00 175.35 176.47 2qie s LYS 46 N -0.18 4.35 -0.10 1.68 -0.14 -1.26 -5.05 119.74 119.04 2qie s LYS 46 Ca 0.10 1.79 -0.30 0.00 -1.36 0.00 0.00 55.97 56.19 2qie s LYS 46 Cb -0.12 -2.90 0.12 0.00 -1.68 0.00 0.00 37.83 33.26 2qie s LYS 46 CO 0.01 -0.04 0.99 -0.59 -0.76 0.00 0.00 175.35 174.95 2qie s PHE 47 N -1.34 -0.32 0.35 3.18 -0.12 -1.26 -4.41 117.98 114.07 2qie s PHE 47 Ca 0.51 0.37 0.01 0.00 -0.05 0.00 0.00 56.93 57.77 2qie s PHE 47 Cb -0.30 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.56 2qie s PHE 47 CO 0.38 -0.40 0.55 -0.65 -0.05 0.00 0.00 175.22 175.05 2qie s GLN 48 N -2.15 3.38 -0.08 1.99 -0.21 -0.41 -4.91 119.66 117.28 2qie s GLN 48 Ca 0.03 -0.45 -0.00 0.00 0.02 0.00 0.00 55.36 54.96 2qie s GLN 48 Cb -0.01 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 2qie s GLN 48 CO -0.04 0.10 -0.06 0.08 -2.12 0.00 0.00 175.29 173.25 2qie s VAL 49 N -2.32 3.78 -0.13 1.09 1.01 -1.26 -0.57 120.40 121.99 2qie s VAL 49 Ca 0.41 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2qie s VAL 49 Cb -0.10 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 2qie s VAL 49 CO 0.35 0.59 -0.15 0.00 0.00 0.00 0.00 175.10 175.89 2qie s ALA 50 N -0.65 2.52 -0.26 5.51 0.00 -0.01 -2.53 121.76 126.33 2qie s ALA 50 Ca 0.10 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 2qie s ALA 50 Cb -0.12 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.85 2qie s ALA 50 CO 0.02 0.18 0.02 0.08 0.00 0.00 0.00 175.76 176.05 2qie s VAL 51 N 0.48 3.64 -1.37 0.00 1.01 0.37 -0.69 120.40 123.84 2qie s VAL 51 Ca -0.11 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 2qie s VAL 51 Cb -0.16 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 2qie s VAL 51 CO 0.05 0.22 0.50 0.59 0.00 0.00 0.00 175.10 176.46 2qie n ASN 52 N 4.82 -0.62 -0.80 3.32 3.02 0.12 -2.60 115.26 122.51 2qie n ASN 52 Ca -0.16 -0.96 -0.10 0.00 -0.03 0.00 0.00 54.58 53.33 2qie n ASN 52 Cb 0.49 -3.33 -0.04 0.00 -0.61 0.00 0.00 39.78 36.29 2qie n ASN 52 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qie n GLU 53 N -4.36 -0.71 -4.42 3.52 1.02 -1.26 -5.00 120.64 109.42 2qie n GLU 53 Ca -0.31 0.83 -0.20 0.00 -0.02 0.00 0.00 57.16 57.47 2qie n GLU 53 Cb 0.68 -4.77 -0.14 0.00 -0.02 0.00 0.00 31.44 27.19 2qie n GLU 53 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2qie s GLU 54 N -2.97 0.88 0.40 3.49 0.41 -1.07 -5.12 118.70 114.73 2qie s GLU 54 Ca 0.00 -0.51 -0.26 0.00 -0.41 0.00 0.00 54.97 53.79 2qie s GLU 54 Cb 0.00 -0.85 -0.08 0.00 -1.78 0.00 0.00 34.13 31.41 2qie s GLU 54 CO 0.00 0.22 1.22 -0.06 -0.49 0.00 0.00 175.26 176.15 2qie s PHE 55 N -0.48 2.98 0.20 1.61 0.40 -1.26 -0.48 117.98 120.94 2qie s PHE 55 Ca 0.03 1.50 0.03 0.00 -0.60 0.00 0.00 56.93 57.89 2qie s PHE 55 Cb -0.06 -3.50 -0.05 0.00 0.51 0.00 0.00 43.02 39.93 2qie s PHE 55 CO 0.00 -1.60 -0.01 0.14 0.70 0.00 0.00 175.22 174.45 2qie s VAL 56 N -1.35 0.88 0.44 -0.44 -7.23 -1.05 -4.87 120.40 106.77 2qie s VAL 56 Ca 0.57 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.71 2qie s VAL 56 Cb -0.34 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 2qie s VAL 56 CO 0.43 -0.41 0.69 -1.10 -0.31 0.00 0.00 175.10 174.39 2qie s GLN 57 N -3.88 3.37 0.54 4.82 -0.21 -1.26 -4.69 119.66 118.34 2qie s GLN 57 Ca 0.26 -0.15 0.27 0.00 0.02 0.00 0.00 55.36 55.75 2qie s GLN 57 Cb 0.06 -2.51 1.54 0.00 1.00 0.00 0.00 33.01 33.10 2qie s GLN 57 CO 0.06 -0.13 2.13 0.87 -2.12 0.00 0.00 175.29 176.10 2qie h LYS 58 N 0.42 0.00 -0.01 2.91 1.57 -2.00 -0.61 116.57 118.85 2qie h LYS 58 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2qie h LYS 58 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2qie h LYS 58 CO 0.61 0.08 -0.10 -1.13 -0.57 0.00 0.00 179.45 178.34 2qie n SER 59 N -3.79 0.78 -4.83 0.86 3.41 -1.26 -1.66 113.62 107.13 2qie n SER 59 Ca -0.02 -0.93 -0.32 0.00 -0.26 0.00 0.00 58.87 57.34 2qie n SER 59 Cb 0.18 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 2qie n SER 59 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2qie s ASP 60 N -2.30 6.38 -0.05 4.04 1.01 -0.24 -4.82 116.67 120.69 2qie s ASP 60 Ca 0.33 1.65 -0.09 0.00 0.71 0.00 0.00 52.55 55.15 2qie s ASP 60 Cb 0.20 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 2qie s ASP 60 CO 0.43 -0.75 0.24 -0.36 0.21 0.00 0.00 175.17 174.94 2qie s PHE 61 N -2.56 3.62 -0.18 4.23 0.40 -1.26 -1.11 117.98 121.12 2qie s PHE 61 Ca 0.60 0.65 -0.05 0.00 -0.60 0.00 0.00 56.93 57.53 2qie s PHE 61 Cb -0.12 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 2qie s PHE 61 CO 0.33 0.68 0.00 0.42 0.70 0.00 0.00 175.22 177.35 2qie s ILE 62 N -1.13 4.12 0.39 0.64 1.01 0.85 -4.91 121.20 122.18 2qie s ILE 62 Ca 0.21 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 2qie s ILE 62 Cb -0.13 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 2qie s ILE 62 CO 0.10 0.45 0.69 -1.10 0.00 0.00 0.00 174.94 175.08 2qie s GLN 63 N 0.69 3.64 0.30 2.79 -1.52 -1.26 -1.96 119.66 122.34 2qie s GLN 63 Ca 0.00 0.19 0.03 0.00 -1.95 0.00 0.00 55.36 53.63 2qie s GLN 63 Cb -0.14 -2.48 0.61 0.00 -0.22 0.00 0.00 33.01 30.77 2qie s GLN 63 CO 0.02 0.00 1.85 -1.35 -0.25 0.00 0.00 175.29 175.57 2qie h PRO 64 N 1.04 0.91 -0.61 2.91 0.11 -1.87 -1.69 132.00 132.81 2qie h PRO 64 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2qie h PRO 64 Cb 1.20 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2qie h PRO 64 CO 0.64 0.60 0.00 0.09 -0.21 0.00 0.00 178.00 179.12 2qie n ASN 65 N -4.59 2.74 -4.90 -2.05 3.02 -1.26 -0.76 115.26 107.46 2qie n ASN 65 Ca 0.18 -2.26 -0.29 0.00 -0.03 0.00 0.00 54.58 52.18 2qie n ASN 65 Cb 0.36 -0.44 0.03 0.00 -0.61 0.00 0.00 39.78 39.11 2qie n ASN 65 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2qie s ASP 66 N -0.65 5.78 -0.17 6.41 1.01 -0.64 -4.88 116.67 123.55 2qie s ASP 66 Ca 0.26 1.02 -0.04 0.00 0.71 0.00 0.00 52.55 54.50 2qie s ASP 66 Cb 0.17 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 42.06 2qie s ASP 66 CO 0.12 -1.03 -0.03 -0.89 0.21 0.00 0.00 175.17 173.54 2qie s THR 67 N -3.11 3.83 0.04 -1.27 2.01 -1.26 -2.48 115.64 113.39 2qie s THR 67 Ca 0.54 -0.37 0.08 0.00 0.31 0.00 0.00 61.69 62.25 2qie s THR 67 Cb -0.11 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 2qie s THR 67 CO 0.49 0.48 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.97 2qie s VAL 68 N 0.57 1.86 -0.03 3.82 1.01 0.02 0.11 120.40 127.76 2qie s VAL 68 Ca -0.03 -1.24 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 2qie s VAL 68 Cb -0.14 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.67 2qie s VAL 68 CO 0.03 0.31 0.05 0.00 0.00 0.00 0.00 175.10 175.48 2qie s ALA 69 N -0.76 0.08 -0.36 5.51 0.00 0.13 -0.73 121.76 125.63 2qie s ALA 69 Ca 0.09 0.31 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 2qie s ALA 69 Cb -0.09 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2qie s ALA 69 CO 0.01 -0.21 0.82 -0.51 0.00 0.00 0.00 175.76 175.88 2qie s LEU 70 N 1.35 4.09 -0.52 0.00 1.43 -0.81 -0.83 118.68 123.39 2qie s LEU 70 Ca -0.06 0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2qie s LEU 70 Cb -0.13 -3.09 0.13 0.00 0.03 0.00 0.00 46.19 43.14 2qie s LEU 70 CO -0.03 -0.75 0.39 -0.63 0.23 0.00 0.00 176.35 175.55 2qie s ILE 71 N 3.18 4.21 0.95 -0.59 -1.09 0.26 -4.22 121.20 123.91 2qie s ILE 71 Ca 0.33 -2.05 -0.12 0.00 -2.23 0.00 0.00 60.65 56.58 2qie s ILE 71 Cb -0.13 -3.76 0.16 0.00 -1.58 0.00 0.00 42.46 37.16 2qie s ILE 71 CO 0.17 -0.81 1.09 -2.84 -1.23 0.00 0.00 174.94 171.32 2qie s PRO 72 N 1.02 0.79 -0.32 2.79 0.02 -1.26 -1.28 135.00 136.74 2qie s PRO 72 Ca 0.09 0.69 -0.40 0.00 0.02 0.00 0.00 61.00 61.40 2qie s PRO 72 Cb -0.24 -1.76 -0.15 0.00 0.02 0.00 0.00 34.50 32.37 2qie s PRO 72 CO -0.02 -2.53 1.88 -2.30 -0.33 0.00 0.00 177.00 173.70 2qie n PRO 73 N -4.06 1.00 -1.75 5.54 -0.02 -1.26 -4.87 135.00 129.58 2qie n PRO 73 Ca 0.06 0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 61.54 2qie n PRO 73 Cb 0.56 -2.11 0.06 0.00 -0.02 0.00 0.00 33.50 31.99 2qie n PRO 73 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2qie s VAL 74 N 4.60 2.61 -0.38 -1.45 -7.23 -1.26 -4.99 120.40 112.30 2qie s VAL 74 Ca 1.03 0.33 0.12 0.00 -1.81 0.00 0.00 61.98 61.65 2qie s VAL 74 Cb -1.08 -2.98 0.39 0.00 0.56 0.00 0.00 36.38 33.27 2qie s VAL 74 CO 0.63 -0.13 1.09 -1.54 -0.31 0.00 0.00 175.10 174.84 2qie n SER 75 N -2.16 -0.54 -4.02 4.85 3.41 -1.26 -5.13 113.62 108.77 2qie n SER 75 Ca 0.13 -2.85 -0.29 0.00 -0.26 0.00 0.00 58.87 55.60 2qie n SER 75 Cb 0.50 0.46 0.20 0.00 -0.26 0.00 0.00 64.21 65.11 2qie n SER 75 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2qie s GLY 76 N -1.99 1.82 0.00 5.00 0.00 -1.26 -5.31 107.32 105.58 2qie s GLY 76 Ca 0.26 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2qie s GLY 76 CO -0.04 -0.56 0.00 0.61 0.00 0.00 0.00 173.10 173.11