#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 4.24 -0.22 2.12 2.20 -1.09 -2.42 119.74 124.57 2qie s LYS 2 Ca 0.00 1.10 -0.10 0.00 -0.36 0.00 0.00 55.97 56.60 2qie s LYS 2 Cb 0.00 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.64 2qie s LYS 2 CO 0.00 -0.51 0.15 0.08 -0.36 0.00 0.00 175.35 174.72 2qie s VAL 3 N 2.78 5.38 -0.06 4.02 1.01 0.25 -0.94 120.40 132.83 2qie s VAL 3 Ca 0.39 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 2qie s VAL 3 Cb -0.16 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2qie s VAL 3 CO 0.08 0.38 0.08 -0.76 0.00 0.00 0.00 175.10 174.88 2qie s LEU 4 N 0.79 3.97 0.05 3.92 1.43 0.14 -1.36 118.68 127.62 2qie s LEU 4 Ca 0.08 0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.51 2qie s LEU 4 Cb -0.13 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 2qie s LEU 4 CO 0.02 0.34 -0.23 -0.31 0.23 0.00 0.00 176.35 176.40 2qie s TYR 5 N -1.06 2.05 0.06 0.29 1.51 -0.45 -2.30 117.35 117.44 2qie s TYR 5 Ca 0.18 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.88 2qie s TYR 5 Cb -0.12 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 2qie s TYR 5 CO 0.08 0.12 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.49 2qie s PHE 6 N -0.83 0.87 0.00 2.71 0.40 -1.26 -4.68 117.98 115.19 2qie s PHE 6 Ca 0.10 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 2qie s PHE 6 Cb -0.09 -0.50 0.00 0.00 0.51 0.00 0.00 43.02 42.93 2qie s PHE 6 CO 0.02 -0.04 0.00 0.00 0.70 0.00 0.00 175.22 175.90 2qie n ALA 7 N 1.19 0.00 -0.22 5.36 0.00 -1.26 -2.84 120.51 122.74 2qie n ALA 7 Ca -0.21 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.18 2qie n ALA 7 Cb 0.55 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.11 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 1.05 -0.25 0.00 4.81 -1.99 -2.60 114.58 115.59 2qie h GLU 8 Ca 0.00 -0.23 -0.19 0.00 -0.13 0.00 0.00 59.36 58.81 2qie h GLU 8 Cb 0.00 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.23 2qie h GLU 8 CO 0.00 0.91 -0.59 0.82 -0.73 0.00 0.00 179.01 179.42 2qie h ILE 9 N 1.00 1.28 -0.58 2.32 2.04 -1.94 -0.45 117.51 121.19 2qie h ILE 9 Ca 0.22 -1.79 0.11 0.00 1.00 0.00 0.00 64.86 64.40 2qie h ILE 9 Cb 0.31 1.71 -0.09 0.00 -0.74 0.00 0.00 36.82 38.02 2qie h ILE 9 CO -0.00 0.58 0.07 0.50 0.00 0.00 0.00 178.15 179.29 2qie h LYS 10 N 0.62 0.18 -0.67 2.37 3.64 -1.42 0.18 116.57 121.47 2qie h LYS 10 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2qie h LYS 10 Cb 1.20 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 2qie h LYS 10 CO 0.13 0.12 0.37 -0.44 -2.27 0.00 0.00 179.45 177.36 2qie h ASP 11 N 0.19 0.84 0.09 4.20 5.19 -1.07 0.15 116.42 126.00 2qie h ASP 11 Ca 0.30 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.62 2qie h ASP 11 Cb 0.46 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2qie h ASP 11 CO -0.44 0.69 -0.04 0.40 -3.12 0.00 0.00 179.24 176.73 2qie h ILE 12 N 0.92 1.07 -0.00 0.35 2.04 -0.23 -3.15 117.51 118.51 2qie h ILE 12 Ca 0.24 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2qie h ILE 12 Cb 0.03 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2qie h ILE 12 CO -0.04 0.14 -0.07 0.18 0.00 0.00 0.00 178.15 178.36 2qie n LEU 13 N -5.02 0.17 -2.22 1.44 4.77 0.54 -4.93 117.00 111.75 2qie n LEU 13 Ca -0.08 0.23 -0.20 0.00 -0.03 0.00 0.00 56.01 55.93 2qie n LEU 13 Cb 0.18 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2qie n LEU 13 CO 0.33 0.03 -0.24 0.00 -1.33 0.00 0.00 177.39 176.19 2qie n GLN 14 N -1.25 -1.69 -3.71 3.23 1.13 0.03 -4.96 117.38 110.16 2qie n GLN 14 Ca 0.12 1.00 -0.14 0.00 -1.94 0.00 0.00 57.00 56.04 2qie n GLN 14 Cb 0.28 -5.59 -0.09 0.00 0.11 0.00 0.00 30.24 24.95 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 -4.74 0.69 0.37 -1.09 -2.85 -1.18 -5.05 119.74 105.89 2qie s LYS 15 Ca 0.00 0.07 0.23 0.00 -1.00 0.00 0.00 55.97 55.27 2qie s LYS 15 Cb 0.00 0.31 0.29 0.00 -2.06 0.00 0.00 37.83 36.38 2qie s LYS 15 CO 0.00 -0.18 1.49 0.00 0.10 0.00 0.00 175.35 176.77 2qie h ALA 16 N 4.12 0.89 -2.40 0.59 0.00 -1.86 -3.43 119.26 117.17 2qie h ALA 16 Ca -0.29 0.00 0.17 0.00 0.00 0.00 0.00 54.91 54.79 2qie h ALA 16 Cb 1.17 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 2qie h ALA 16 CO 0.36 0.00 0.48 1.14 0.00 0.00 0.00 179.25 181.23 2qie s GLN 17 N -3.24 1.26 -0.14 0.00 -2.07 -1.26 -1.34 119.66 112.86 2qie s GLN 17 Ca 0.06 -0.71 -0.31 0.00 -1.82 0.00 0.00 55.36 52.58 2qie s GLN 17 Cb 0.07 0.42 0.13 0.00 -1.09 0.00 0.00 33.01 32.53 2qie s GLN 17 CO 0.69 -0.58 1.06 -1.83 -1.32 0.00 0.00 175.29 173.31 2qie s GLU 18 N -3.18 0.52 -0.18 9.60 -1.05 -0.47 -4.99 118.70 118.96 2qie s GLU 18 Ca 0.13 -0.04 -0.16 0.00 -0.15 0.00 0.00 54.97 54.75 2qie s GLU 18 Cb -0.02 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.88 2qie s GLU 18 CO 0.03 -0.20 0.40 -0.51 0.95 0.00 0.00 175.26 175.94 2qie s ASP 19 N -1.67 6.48 -0.14 0.83 1.01 -1.26 -0.58 116.67 121.34 2qie s ASP 19 Ca 0.04 0.57 0.00 0.00 0.71 0.00 0.00 52.55 53.86 2qie s ASP 19 Cb -0.01 -2.24 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 2qie s ASP 19 CO -0.04 -0.05 -0.14 -0.63 0.21 0.00 0.00 175.17 174.53 2qie s ILE 20 N 1.11 2.88 -0.19 0.77 1.01 -1.01 -4.96 121.20 120.81 2qie s ILE 20 Ca 0.20 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 2qie s ILE 20 Cb -0.15 -2.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 2qie s ILE 20 CO 0.08 0.52 1.11 -0.69 0.00 0.00 0.00 174.94 175.95 2qie s VAL 21 N 0.52 4.56 -0.17 2.92 1.01 -1.26 -2.04 120.40 125.93 2qie s VAL 21 Ca -0.09 1.88 -0.14 0.00 0.00 0.00 0.00 61.98 63.62 2qie s VAL 21 Cb -0.16 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2qie s VAL 21 CO 0.04 -0.13 0.30 -0.76 0.00 0.00 0.00 175.10 174.54 2qie s LEU 22 N 3.06 4.22 0.15 3.92 2.01 -1.26 -4.97 118.68 125.81 2qie s LEU 22 Ca 0.48 0.47 0.12 0.00 0.01 0.00 0.00 54.13 55.22 2qie s LEU 22 Cb -0.18 -2.37 -0.10 0.00 0.01 0.00 0.00 46.19 43.55 2qie s LEU 22 CO 0.11 0.07 1.18 -0.33 1.01 0.00 0.00 176.35 178.38 2qie h GLU 23 N 6.87 0.00 -3.08 1.70 5.08 -1.98 -3.46 114.58 119.71 2qie h GLU 23 Ca -0.40 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 2qie h GLU 23 Cb 1.16 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.29 2qie h GLU 23 CO 0.74 0.63 0.16 1.14 -1.00 0.00 0.00 179.01 180.67 2qie s GLN 24 N -2.83 1.25 0.40 2.33 -2.07 -1.26 -5.07 119.66 112.41 2qie s GLN 24 Ca 0.01 -0.53 -0.24 0.00 -1.82 0.00 0.00 55.36 52.78 2qie s GLN 24 Cb 0.09 0.57 -0.12 0.00 -1.09 0.00 0.00 33.01 32.46 2qie s GLN 24 CO 0.79 -0.54 0.86 0.00 -1.32 0.00 0.00 175.29 175.08 2qie n ALA 25 N -0.35 -0.47 -2.60 2.60 0.00 -1.26 -4.76 120.51 113.67 2qie n ALA 25 Ca -0.17 0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 2qie n ALA 25 Cb 0.65 -1.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.06 2qie n ALA 25 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2qie s LEU 26 N 0.36 1.38 0.77 0.00 2.34 -0.80 -4.97 118.68 117.75 2qie s LEU 26 Ca 0.63 -0.61 -0.11 0.00 0.06 0.00 0.00 54.13 54.10 2qie s LEU 26 Cb -0.60 1.05 0.05 0.00 -0.56 0.00 0.00 46.19 46.13 2qie s LEU 26 CO 0.57 -0.71 1.08 0.42 -1.06 0.00 0.00 176.35 176.65 2qie s THR 27 N -3.71 3.44 0.19 5.48 -4.23 -1.26 0.67 115.64 116.22 2qie s THR 27 Ca 0.04 0.47 -0.10 0.00 -1.18 0.00 0.00 61.69 60.91 2qie s THR 27 Cb 0.04 -3.12 0.11 0.00 1.34 0.00 0.00 72.50 70.87 2qie s THR 27 CO -0.10 -0.61 1.76 0.58 -0.54 0.00 0.00 174.62 175.71 2qie h VAL 28 N -1.01 1.24 -0.72 2.29 2.07 -1.33 -1.00 116.25 117.78 2qie h VAL 28 Ca -0.45 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2qie h VAL 28 Cb 1.24 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2qie h VAL 28 CO 0.56 0.29 0.46 -0.61 0.02 0.00 0.00 177.57 178.29 2qie h GLN 29 N 0.96 0.97 -0.52 1.57 5.75 -1.79 -1.14 115.11 120.90 2qie h GLN 29 Ca 0.23 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.63 2qie h GLN 29 Cb 0.19 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 2qie h GLN 29 CO -0.02 0.66 0.21 1.96 -2.65 0.00 0.00 178.83 178.99 2qie h GLN 30 N 0.98 0.75 -0.55 1.69 4.20 -1.72 -1.25 115.11 119.21 2qie h GLN 30 Ca 0.26 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 2qie h GLN 30 Cb -0.07 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 2qie h GLN 30 CO -0.05 0.62 -0.04 0.35 -0.67 0.00 0.00 178.83 179.03 2qie h PHE 31 N 0.74 1.08 -0.26 2.96 3.57 -0.52 -1.54 116.94 122.97 2qie h PHE 31 Ca 0.18 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2qie h PHE 31 Cb 0.15 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2qie h PHE 31 CO 0.01 0.98 0.13 0.93 -2.23 0.00 0.00 178.31 178.13 2qie h GLU 32 N 0.90 0.37 -0.77 1.11 5.08 -0.69 0.28 114.58 120.86 2qie h GLU 32 Ca 0.16 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2qie h GLU 32 Cb 0.58 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 2qie h GLU 32 CO 0.03 0.34 0.47 -0.44 -1.00 0.00 0.00 179.01 178.42 2qie h ASP 33 N 0.29 0.73 0.16 1.42 5.19 -1.09 0.93 116.42 124.06 2qie h ASP 33 Ca 0.09 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 2qie h ASP 33 Cb 0.09 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.47 2qie h ASP 33 CO -0.01 0.48 -0.08 0.25 -3.12 0.00 0.00 179.24 176.76 2qie h LEU 34 N 0.87 -0.19 -1.54 1.55 7.12 -1.07 -2.24 115.31 119.81 2qie h LEU 34 Ca 0.33 -0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.25 2qie h LEU 34 Cb 0.14 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.30 2qie h LEU 34 CO -0.16 -0.05 -0.01 0.25 -0.13 0.00 0.00 178.44 178.34 2qie h LEU 35 N -0.31 0.26 -0.16 2.25 5.85 -0.36 -1.38 115.31 121.47 2qie h LEU 35 Ca -0.02 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 2qie h LEU 35 Cb 0.24 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2qie h LEU 35 CO 0.04 0.31 -0.49 -0.26 -0.34 0.00 0.00 178.44 177.70 2qie h PHE 36 N 0.28 0.00 -0.35 1.25 0.05 -0.77 0.54 116.94 117.93 2qie h PHE 36 Ca 0.07 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.69 2qie h PHE 36 Cb 0.20 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.15 2qie h PHE 36 CO 0.00 0.49 -0.41 1.49 -0.18 0.00 0.00 178.31 179.70 2qie h GLU 37 N 0.00 0.89 -0.06 1.51 4.81 -0.69 -2.93 114.58 118.11 2qie h GLU 37 Ca -0.00 -0.48 -0.19 0.00 -0.13 0.00 0.00 59.36 58.56 2qie h GLU 37 Cb 1.31 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 2qie h GLU 37 CO 0.06 1.13 -0.76 -0.09 -0.73 0.00 0.00 179.01 178.62 2qie h ARG 38 N 0.72 0.37 -2.72 1.92 2.43 -1.23 -3.40 114.38 112.48 2qie h ARG 38 Ca 0.05 -0.32 -0.60 0.00 -0.81 0.00 0.00 59.98 58.30 2qie h ARG 38 Cb 1.00 0.07 -0.39 0.00 -0.42 0.00 0.00 29.97 30.23 2qie h ARG 38 CO 0.10 0.97 -0.82 0.71 -1.51 0.00 0.00 179.97 179.42 2qie s TYR 39 N -3.54 1.51 0.28 2.20 1.51 0.18 -4.94 117.35 114.55 2qie s TYR 39 Ca -0.05 -2.24 0.37 0.00 -1.01 0.00 0.00 57.07 54.14 2qie s TYR 39 Cb 0.10 -1.42 1.80 0.00 -0.11 0.00 0.00 41.96 42.33 2qie s TYR 39 CO 0.84 -0.79 2.11 -1.00 -1.11 0.00 0.00 175.55 175.61 2qie h PRO 40 N 6.42 0.00 -0.00 -1.71 0.13 -1.74 -2.94 132.00 132.16 2qie h PRO 40 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2qie h PRO 40 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2qie h PRO 40 CO 0.41 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.18 2qie n GLN 41 N -2.96 0.87 -0.10 0.86 0.00 -1.26 -2.45 117.38 112.34 2qie n GLN 41 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 57.00 57.00 2qie n GLN 41 Cb 0.18 -1.00 0.01 0.00 0.00 0.00 0.00 30.24 29.43 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 -0.50 0.32 0.34 -0.39 -5.35 -1.11 -4.86 119.36 107.81 2qie n ILE 42 Ca 0.00 -0.35 0.14 0.00 -0.27 0.00 0.00 62.75 62.28 2qie n ILE 42 Cb 0.00 0.72 0.60 0.00 -1.74 0.00 0.00 39.64 39.22 2qie n ILE 42 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2qie h ASN 43 N 0.00 0.00 -0.26 7.28 7.08 -1.57 -1.89 115.58 126.22 2qie h ASN 43 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2qie h ASN 43 Cb 0.98 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.22 2qie h ASN 43 CO 0.00 0.00 0.00 0.59 -2.08 0.00 0.00 177.43 175.94 2qie n ASN 44 N -2.61 2.98 -4.83 6.14 4.13 -1.26 -4.97 115.26 114.84 2qie n ASN 44 Ca 0.01 -1.93 -0.38 0.00 1.68 0.00 0.00 54.58 53.97 2qie n ASN 44 Cb 0.25 -0.16 -0.06 0.00 -1.54 0.00 0.00 39.78 38.27 2qie n ASN 44 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2qie s LYS 45 N -1.68 3.89 -0.02 3.52 -0.14 -0.71 -5.07 119.74 119.53 2qie s LYS 45 Ca 0.35 0.34 -0.15 0.00 -1.36 0.00 0.00 55.97 55.16 2qie s LYS 45 Cb 0.21 -3.23 -0.05 0.00 -1.68 0.00 0.00 37.83 33.08 2qie s LYS 45 CO 0.31 0.67 0.41 0.15 -0.76 0.00 0.00 175.35 176.13 2qie s LYS 46 N -0.97 3.98 -0.16 1.68 -0.14 -1.26 -5.07 119.74 117.81 2qie s LYS 46 Ca 0.23 0.41 -0.31 0.00 -1.36 0.00 0.00 55.97 54.94 2qie s LYS 46 Cb -0.16 -3.25 0.13 0.00 -1.68 0.00 0.00 37.83 32.87 2qie s LYS 46 CO 0.12 0.61 1.07 -0.59 -0.76 0.00 0.00 175.35 175.80 2qie s PHE 47 N -0.83 -0.27 0.46 3.18 -0.12 -1.26 -4.32 117.98 114.82 2qie s PHE 47 Ca 0.24 0.38 0.02 0.00 -0.05 0.00 0.00 56.93 57.52 2qie s PHE 47 Cb -0.16 0.48 0.01 0.00 -0.63 0.00 0.00 43.02 42.72 2qie s PHE 47 CO 0.13 -0.31 0.66 -0.65 -0.05 0.00 0.00 175.22 175.00 2qie s GLN 48 N -1.67 2.90 -0.10 1.99 -0.21 -0.57 -4.90 119.66 117.10 2qie s GLN 48 Ca 0.03 -0.74 0.01 0.00 0.02 0.00 0.00 55.36 54.68 2qie s GLN 48 Cb -0.01 -2.60 -0.02 0.00 1.00 0.00 0.00 33.01 31.38 2qie s GLN 48 CO -0.03 -0.34 -0.12 0.08 -2.12 0.00 0.00 175.29 172.76 2qie s VAL 49 N -2.53 3.17 -0.17 1.09 1.01 -1.26 -1.12 120.40 120.59 2qie s VAL 49 Ca 0.51 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 2qie s VAL 49 Cb -0.10 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2qie s VAL 49 CO 0.36 0.55 -0.11 0.00 0.00 0.00 0.00 175.10 175.90 2qie s ALA 50 N -0.15 2.63 -0.23 5.51 0.00 -0.06 -3.51 121.76 125.97 2qie s ALA 50 Ca -0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 2qie s ALA 50 Cb -0.13 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 2qie s ALA 50 CO 0.03 -0.10 0.05 0.08 0.00 0.00 0.00 175.76 175.82 2qie s VAL 51 N 0.92 4.23 -1.35 0.00 1.01 0.52 -0.47 120.40 125.27 2qie s VAL 51 Ca -0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 2qie s VAL 51 Cb -0.15 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.29 2qie s VAL 51 CO -0.01 0.38 0.44 0.59 0.00 0.00 0.00 175.10 176.50 2qie n ASN 52 N 4.57 -1.65 -1.86 3.32 3.02 0.12 -2.04 115.26 120.74 2qie n ASN 52 Ca -0.17 -1.13 -0.17 0.00 -0.03 0.00 0.00 54.58 53.08 2qie n ASN 52 Cb 0.52 -2.50 -0.02 0.00 -0.61 0.00 0.00 39.78 37.17 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 -4.53 -1.35 -3.87 3.52 1.02 -1.26 -5.01 120.64 109.16 2qie n GLU 53 Ca -0.24 0.89 -0.12 0.00 -0.02 0.00 0.00 57.16 57.67 2qie n GLU 53 Cb 0.65 -5.31 -0.13 0.00 -0.02 0.00 0.00 31.44 26.63 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 -4.61 0.07 0.55 3.49 0.41 -0.87 -5.12 118.70 112.61 2qie s GLU 54 Ca 0.00 -0.03 -0.19 0.00 -0.41 0.00 0.00 54.97 54.33 2qie s GLU 54 Cb 0.00 0.03 -0.06 0.00 -1.78 0.00 0.00 34.13 32.32 2qie s GLU 54 CO 0.00 -0.01 1.14 -0.06 -0.49 0.00 0.00 175.26 175.84 2qie s PHE 55 N -0.16 2.64 0.02 1.61 2.99 -1.26 -0.35 117.98 123.47 2qie s PHE 55 Ca -0.02 1.54 -0.05 0.00 0.00 0.00 0.00 56.93 58.41 2qie s PHE 55 Cb -0.01 -3.31 -0.01 0.00 0.00 0.00 0.00 43.02 39.68 2qie s PHE 55 CO -0.00 -1.64 0.07 0.14 -0.00 0.00 0.00 175.22 173.79 2qie s VAL 56 N -1.75 0.11 0.61 -0.44 -7.23 -1.23 -4.88 120.40 105.59 2qie s VAL 56 Ca 0.73 -0.89 -0.15 0.00 -1.81 0.00 0.00 61.98 59.87 2qie s VAL 56 Cb -0.25 -0.53 -0.03 0.00 0.56 0.00 0.00 36.38 36.13 2qie s VAL 56 CO 0.28 -0.49 1.05 -1.10 -0.31 0.00 0.00 175.10 174.53 2qie s GLN 57 N -1.79 3.31 0.00 4.82 -0.21 -1.26 -4.85 119.66 119.67 2qie s GLN 57 Ca -0.12 1.10 0.14 0.00 0.02 0.00 0.00 55.36 56.51 2qie s GLN 57 Cb -0.06 -2.04 0.63 0.00 1.00 0.00 0.00 33.01 32.54 2qie s GLN 57 CO -0.01 -0.81 1.44 1.63 -2.12 0.00 0.00 175.29 175.42 2qie n LYS 58 N -2.26 0.05 -0.24 2.91 5.02 -1.26 -1.68 118.16 120.70 2qie n LYS 58 Ca 0.08 0.23 0.09 0.00 -2.02 0.00 0.00 58.31 56.69 2qie n LYS 58 Cb 0.53 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 34.26 2qie n LYS 58 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2qie n SER 59 N -1.45 3.34 -4.80 4.39 3.41 -1.26 -2.38 113.62 114.87 2qie n SER 59 Ca 0.04 -1.97 -0.34 0.00 -0.26 0.00 0.00 58.87 56.35 2qie n SER 59 Cb 0.15 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.06 6.39 -0.26 4.04 1.01 -0.67 -4.85 116.67 121.27 2qie s ASP 60 Ca 0.35 1.90 -0.15 0.00 0.71 0.00 0.00 52.55 55.36 2qie s ASP 60 Cb 0.19 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 2qie s ASP 60 CO 0.25 -0.75 0.37 -0.36 0.21 0.00 0.00 175.17 174.89 2qie s PHE 61 N -2.02 3.27 -0.30 4.23 0.40 -1.26 -1.84 117.98 120.47 2qie s PHE 61 Ca 0.67 0.45 -0.28 0.00 -0.60 0.00 0.00 56.93 57.16 2qie s PHE 61 Cb -0.16 -2.56 0.01 0.00 0.51 0.00 0.00 43.02 40.83 2qie s PHE 61 CO 0.20 -0.18 1.03 0.42 0.70 0.00 0.00 175.22 177.39 2qie s ILE 62 N 1.90 4.58 0.55 0.64 1.01 0.21 -4.89 121.20 125.20 2qie s ILE 62 Ca 0.16 1.72 -0.07 0.00 0.00 0.00 0.00 60.65 62.45 2qie s ILE 62 Cb -0.15 -4.36 -0.03 0.00 0.01 0.00 0.00 42.46 37.93 2qie s ILE 62 CO 0.09 -0.40 0.90 -1.10 0.00 0.00 0.00 174.94 174.43 2qie s GLN 63 N 3.48 3.40 0.28 2.79 -1.52 -1.26 -1.91 119.66 124.92 2qie s GLN 63 Ca 0.43 0.34 0.00 0.00 -1.95 0.00 0.00 55.36 54.18 2qie s GLN 63 Cb -0.13 -2.25 0.40 0.00 -0.22 0.00 0.00 33.01 30.81 2qie s GLN 63 CO 0.13 -0.45 1.77 -1.35 -0.25 0.00 0.00 175.29 175.14 2qie h PRO 64 N -0.06 0.67 -0.63 2.91 0.11 -1.88 -2.40 132.00 130.73 2qie h PRO 64 Ca -0.46 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.46 2qie h PRO 64 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2qie h PRO 64 CO 0.62 0.73 0.00 0.09 -0.21 0.00 0.00 178.00 179.23 2qie n ASN 65 N -4.21 2.12 -4.87 -2.05 3.02 -1.26 -2.12 115.26 105.88 2qie n ASN 65 Ca 0.02 -2.19 -0.30 0.00 -0.03 0.00 0.00 54.58 52.07 2qie n ASN 65 Cb 0.31 -0.41 -0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.54 6.33 -0.14 6.41 1.11 -0.90 -4.90 116.67 124.03 2qie s ASP 66 Ca 0.18 1.30 -0.05 0.00 0.18 0.00 0.00 52.55 54.16 2qie s ASP 66 Cb 0.12 -2.41 -0.04 0.00 1.07 0.00 0.00 42.92 41.67 2qie s ASP 66 CO 0.08 -0.71 0.02 -0.89 1.18 0.00 0.00 175.17 174.85 2qie s THR 67 N -2.91 4.48 -0.08 -1.27 2.01 -1.26 -2.66 115.64 113.95 2qie s THR 67 Ca 0.53 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.40 2qie s THR 67 Cb -0.11 -2.96 0.01 0.00 0.01 0.00 0.00 72.50 69.46 2qie s THR 67 CO 0.46 0.53 -0.15 -0.69 -0.69 0.00 0.00 174.62 174.08 2qie s VAL 68 N -0.18 1.39 -0.03 3.82 1.01 -0.11 0.15 120.40 126.45 2qie s VAL 68 Ca 0.06 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.48 2qie s VAL 68 Cb -0.12 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 2qie s VAL 68 CO 0.02 0.41 -0.25 0.00 0.00 0.00 0.00 175.10 175.28 2qie s ALA 69 N 0.60 2.19 -0.18 5.51 0.00 0.38 0.25 121.76 130.51 2qie s ALA 69 Ca -0.15 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.55 2qie s ALA 69 Cb -0.16 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 2qie s ALA 69 CO 0.05 0.50 0.40 -0.51 0.00 0.00 0.00 175.76 176.20 2qie s LEU 70 N -0.49 4.18 -0.46 0.00 1.43 -0.97 -0.88 118.68 121.49 2qie s LEU 70 Ca 0.06 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2qie s LEU 70 Cb -0.11 -2.53 0.12 0.00 0.03 0.00 0.00 46.19 43.70 2qie s LEU 70 CO 0.00 -0.05 0.21 -0.63 0.23 0.00 0.00 176.35 176.12 2qie s ILE 71 N 1.11 2.77 1.05 -0.59 -1.09 -0.27 -4.08 121.20 120.10 2qie s ILE 71 Ca 0.20 -2.76 -0.12 0.00 -2.23 0.00 0.00 60.65 55.74 2qie s ILE 71 Cb -0.15 -2.93 0.22 0.00 -1.58 0.00 0.00 42.46 38.02 2qie s ILE 71 CO 0.08 -0.73 1.07 -2.84 -1.23 0.00 0.00 174.94 171.29 2qie s PRO 72 N 0.35 0.01 -0.36 2.79 0.02 -1.26 -1.51 135.00 135.04 2qie s PRO 72 Ca 0.14 0.63 -0.41 0.00 0.02 0.00 0.00 61.00 61.37 2qie s PRO 72 Cb -0.22 -1.68 -0.16 0.00 0.02 0.00 0.00 34.50 32.45 2qie s PRO 72 CO -0.04 -3.04 1.82 -2.30 -0.33 0.00 0.00 177.00 173.11 2qie n PRO 73 N -4.41 0.79 -1.97 5.54 -0.02 -1.26 -4.86 135.00 128.81 2qie n PRO 73 Ca 0.05 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 2qie n PRO 73 Cb 0.56 -1.96 0.02 0.00 -0.02 0.00 0.00 33.50 32.10 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 4.19 3.79 -0.34 -1.45 -7.23 -1.26 -5.01 120.40 113.09 2qie s VAL 74 Ca 1.04 0.82 0.16 0.00 -1.81 0.00 0.00 61.98 62.18 2qie s VAL 74 Cb -1.18 -3.36 0.44 0.00 0.56 0.00 0.00 36.38 32.85 2qie s VAL 74 CO 0.67 -0.53 1.13 -1.54 -0.31 0.00 0.00 175.10 174.52 2qie n SER 75 N -2.18 0.30 -3.01 4.85 3.41 -1.26 -5.12 113.62 110.61 2qie n SER 75 Ca 0.09 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.19 2qie n SER 75 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2qie n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qie n GLY 76 N -0.40 -2.16 2.98 5.00 0.00 -1.26 -5.32 105.19 104.03 2qie n GLY 76 Ca 0.03 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2qie n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93