#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqo h GLU 2 N 0.00 0.90 -0.34 4.33 4.39 -2.06 -0.53 114.58 121.28 3iqo h GLU 2 Ca 0.00 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 3iqo h GLU 2 Cb 0.00 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 3iqo h GLU 2 CO 0.00 0.59 -0.10 1.25 -1.16 0.00 0.00 179.01 179.59 3iqo h LEU 3 N 0.92 0.67 -0.79 1.33 5.85 -2.06 -1.94 115.31 119.31 3iqo h LEU 3 Ca 0.38 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3iqo h LEU 3 Cb 0.28 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3iqo h LEU 3 CO -0.15 0.89 0.41 -0.33 -0.34 0.00 0.00 178.44 178.93 3iqo h GLU 4 N 0.44 1.11 -0.23 1.25 5.08 -1.92 -0.77 114.58 119.54 3iqo h GLU 4 Ca 0.08 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3iqo h GLU 4 Cb 0.61 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3iqo h GLU 4 CO 0.04 0.84 0.01 0.87 -1.00 0.00 0.00 179.01 179.76 3iqo h LYS 5 N 1.10 0.34 -0.32 2.33 1.79 -0.98 -1.67 116.57 119.16 3iqo h LYS 5 Ca 0.27 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.61 3iqo h LYS 5 Cb 0.06 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3iqo h LYS 5 CO -0.04 0.36 -0.10 0.00 -1.08 0.00 0.00 179.45 178.59 3iqo h ALA 6 N 1.68 0.44 -0.19 3.86 0.00 -0.71 -1.03 119.26 123.31 3iqo h ALA 6 Ca 0.08 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3iqo h ALA 6 Cb 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3iqo h ALA 6 CO 0.00 0.30 -0.08 0.28 0.00 0.00 0.00 179.25 179.76 3iqo h VAL 7 N 0.40 0.74 -0.27 0.00 2.07 -0.74 -1.38 116.25 117.07 3iqo h VAL 7 Ca 0.08 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 3iqo h VAL 7 Cb 0.61 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3iqo h VAL 7 CO 0.04 0.00 -0.16 -0.37 0.02 0.00 0.00 177.57 177.10 3iqo h VAL 8 N -0.05 1.24 -0.52 2.57 -1.51 -1.25 -2.53 116.25 114.20 3iqo h VAL 8 Ca 0.10 -1.07 -0.06 0.00 -1.23 0.00 0.00 66.70 64.44 3iqo h VAL 8 Cb 0.20 1.20 -0.02 0.00 -2.13 0.00 0.00 31.29 30.54 3iqo h VAL 8 CO -0.23 0.35 0.06 0.00 -1.23 0.00 0.00 177.57 176.52 3iqo h ALA 9 N 1.40 1.14 -0.55 5.19 0.00 -0.65 0.12 119.26 125.92 3iqo h ALA 9 Ca 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3iqo h ALA 9 Cb 0.53 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3iqo h ALA 9 CO 0.03 0.57 0.21 -0.07 0.00 0.00 0.00 179.25 179.99 3iqo h LEU 10 N 0.79 0.76 -0.38 0.00 3.38 -0.85 -0.15 115.31 118.86 3iqo h LEU 10 Ca 0.16 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3iqo h LEU 10 Cb 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3iqo h LEU 10 CO 0.01 0.73 -0.03 0.40 0.09 0.00 0.00 178.44 179.64 3iqo h ILE 11 N 0.74 1.27 -0.16 1.22 2.04 -1.21 -2.48 117.51 118.93 3iqo h ILE 11 Ca 0.18 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3iqo h ILE 11 Cb 0.21 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3iqo h ILE 11 CO -0.01 0.35 0.08 -0.78 0.00 0.00 0.00 178.15 177.78 3iqo h ASP 12 N 0.51 0.21 -0.52 1.72 3.58 -0.58 -1.89 116.42 119.46 3iqo h ASP 12 Ca 0.10 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 3iqo h ASP 12 Cb 0.52 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 3iqo h ASP 12 CO 0.03 0.28 0.13 1.62 -2.88 0.00 0.00 179.24 178.42 3iqo h VAL 13 N 0.13 1.24 -0.58 2.25 3.04 -1.05 -0.77 116.25 120.50 3iqo h VAL 13 Ca 0.06 -0.86 0.02 0.00 -1.01 0.00 0.00 66.70 64.91 3iqo h VAL 13 Cb 0.13 0.81 -0.03 0.00 -2.01 0.00 0.00 31.29 30.18 3iqo h VAL 13 CO -0.01 0.31 0.37 0.15 -1.01 0.00 0.00 177.57 177.38 3iqo h PHE 14 N 0.72 0.69 0.00 3.17 3.57 -1.34 -2.61 116.94 121.15 3iqo h PHE 14 Ca 0.16 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 3iqo h PHE 14 Cb 0.34 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3iqo h PHE 14 CO 0.02 0.41 -0.47 0.45 -2.23 0.00 0.00 178.31 176.49 3iqo h HIS 15 N 0.74 0.00 -0.53 0.41 3.86 -1.01 0.22 115.15 118.83 3iqo h HIS 15 Ca 0.23 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.47 3iqo h HIS 15 Cb -0.02 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.42 3iqo h HIS 15 CO -0.05 0.47 0.35 1.96 0.86 0.00 0.00 177.93 181.52 3iqo h GLN 16 N 0.00 0.59 0.05 2.45 1.08 -0.78 -1.89 115.11 116.61 3iqo h GLN 16 Ca -0.00 -0.04 -0.38 0.00 -1.45 0.00 0.00 58.65 56.78 3iqo h GLN 16 Cb 1.13 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 28.38 3iqo h GLN 16 CO 0.06 0.39 -2.29 0.66 -0.95 0.00 0.00 178.83 176.70 3iqo n TYR 17 N -4.47 0.49 0.18 2.96 4.02 -1.05 -4.36 117.16 114.94 3iqo n TYR 17 Ca 0.06 0.10 0.02 0.00 -0.01 0.00 0.00 57.90 58.08 3iqo n TYR 17 Cb 0.14 -1.06 0.32 0.00 -0.02 0.00 0.00 39.34 38.71 3iqo n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3iqo h SER 18 N 0.02 0.00 -0.00 7.72 4.64 -0.60 -2.82 113.55 122.51 3iqo h SER 18 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3iqo h SER 18 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 3iqo h SER 18 CO -0.02 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 3iqo n GLY 19 N -0.22 -1.00 0.17 -0.77 0.00 -0.71 -4.17 105.19 98.49 3iqo n GLY 19 Ca -0.02 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 3iqo n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iqo h ARG 20 N 0.01 -0.32 -4.25 1.61 3.08 -1.69 -3.47 114.38 109.34 3iqo h ARG 20 Ca 0.00 0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.90 3iqo h ARG 20 Cb 0.00 0.07 -0.18 0.00 0.08 0.00 0.00 29.97 29.95 3iqo h ARG 20 CO 0.00 0.00 -0.70 -1.21 -1.07 0.00 0.00 179.97 177.00 3iqo s GLU 21 N -4.74 0.53 6.23 0.04 2.02 -1.26 -5.11 118.70 116.42 3iqo s GLU 21 Ca -0.14 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 53.86 3iqo s GLU 21 Cb 0.02 0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.32 3iqo s GLU 21 CO 0.57 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.20 3iqo n GLY 22 N 0.73 3.10 3.67 -1.39 0.00 -1.26 -4.38 105.19 105.65 3iqo n GLY 22 Ca -0.18 -0.31 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 3iqo n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iqo n ASP 23 N 1.71 3.84 0.00 1.61 -0.08 -1.26 -4.83 116.55 117.53 3iqo n ASP 23 Ca 0.00 0.94 0.11 0.00 -1.51 0.00 0.00 54.79 54.33 3iqo n ASP 23 Cb 0.00 -1.46 0.52 0.00 2.34 0.00 0.00 41.12 42.51 3iqo n ASP 23 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3iqo n LYS 24 N 6.87 0.14 0.00 -0.67 4.76 -1.26 -2.98 118.16 125.02 3iqo n LYS 24 Ca 0.21 0.10 0.08 0.00 -2.87 0.00 0.00 58.31 55.82 3iqo n LYS 24 Cb 0.36 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.09 3iqo n LYS 24 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3iqo n HIS 25 N -1.41 0.00 -4.11 2.13 8.25 -1.26 -3.27 115.22 115.55 3iqo n HIS 25 Ca 0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.41 3iqo n HIS 25 Cb 0.23 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.23 3iqo n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3iqo s LYS 26 N -1.41 0.65 -0.29 -0.41 1.02 -1.16 -4.34 119.74 113.80 3iqo s LYS 26 Ca 0.17 -0.95 -0.17 0.00 0.02 0.00 0.00 55.97 55.03 3iqo s LYS 26 Cb 0.13 -0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 37.09 3iqo s LYS 26 CO 0.24 0.05 0.49 -0.51 -0.92 0.00 0.00 175.35 174.69 3iqo s LEU 27 N -2.02 4.15 0.84 3.17 1.43 0.32 -4.57 118.68 122.00 3iqo s LEU 27 Ca -0.03 0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.24 3iqo s LEU 27 Cb -0.06 -2.60 0.10 0.00 0.03 0.00 0.00 46.19 43.67 3iqo s LEU 27 CO -0.01 -0.34 1.19 -1.59 0.23 0.00 0.00 176.35 175.83 3iqo s LYS 28 N 2.31 1.68 0.22 1.70 -2.85 -1.26 -0.47 119.74 121.07 3iqo s LYS 28 Ca 0.19 0.07 -0.10 0.00 -1.00 0.00 0.00 55.97 55.14 3iqo s LYS 28 Cb -0.16 -1.92 0.32 0.00 -2.06 0.00 0.00 37.83 34.02 3iqo s LYS 28 CO 0.11 -1.78 1.67 0.87 0.10 0.00 0.00 175.35 176.32 3iqo h LYS 29 N -1.19 0.16 -0.39 1.78 1.57 -1.97 -0.14 116.57 116.38 3iqo h LYS 29 Ca -0.46 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.26 3iqo h LYS 29 Cb 1.32 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 3iqo h LYS 29 CO 0.62 0.11 0.05 0.66 -0.57 0.00 0.00 179.45 180.32 3iqo h SER 30 N 0.17 0.56 -0.18 0.86 4.64 -1.99 -0.23 113.55 117.37 3iqo h SER 30 Ca 0.34 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.42 3iqo h SER 30 Cb 0.55 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3iqo h SER 30 CO -0.50 0.59 -0.43 -0.33 -0.87 0.00 0.00 176.83 175.29 3iqo h GLU 31 N 0.58 0.61 -0.52 4.77 5.08 -1.58 -2.37 114.58 121.15 3iqo h GLU 31 Ca 0.13 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3iqo h GLU 31 Cb 0.29 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3iqo h GLU 31 CO 0.00 1.03 0.25 1.25 -1.00 0.00 0.00 179.01 180.55 3iqo h LEU 32 N 0.28 0.68 -0.37 1.33 5.85 -0.78 -1.05 115.31 121.25 3iqo h LEU 32 Ca -0.00 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3iqo h LEU 32 Cb 1.04 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3iqo h LEU 32 CO 0.09 0.61 0.15 0.50 -0.34 0.00 0.00 178.44 179.46 3iqo h LYS 33 N 0.70 0.31 -0.44 1.25 3.64 -1.02 -1.19 116.57 119.82 3iqo h LYS 33 Ca 0.18 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3iqo h LYS 33 Cb 0.11 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3iqo h LYS 33 CO -0.02 0.21 -0.13 0.93 -2.27 0.00 0.00 179.45 178.16 3iqo h GLU 34 N 0.32 0.81 -0.10 1.90 4.39 -1.20 -0.53 114.58 120.18 3iqo h GLU 34 Ca 0.16 -0.29 0.01 0.00 0.34 0.00 0.00 59.36 59.59 3iqo h GLU 34 Cb 0.11 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3iqo h GLU 34 CO -0.14 0.90 0.02 1.25 -1.16 0.00 0.00 179.01 179.88 3iqo h LEU 35 N 0.73 0.01 -0.11 1.33 6.46 -0.84 0.66 115.31 123.54 3iqo h LEU 35 Ca 0.12 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.89 3iqo h LEU 35 Cb 0.63 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.58 3iqo h LEU 35 CO 0.04 0.02 0.05 0.40 -0.62 0.00 0.00 178.44 178.34 3iqo h ILE 36 N 0.06 1.11 -0.43 4.05 2.04 -1.00 0.14 117.51 123.49 3iqo h ILE 36 Ca 0.04 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 3iqo h ILE 36 Cb 0.04 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3iqo h ILE 36 CO -0.06 0.10 -0.06 0.78 0.00 0.00 0.00 178.15 178.91 3iqo h ASN 37 N 0.05 0.71 0.40 1.72 -0.26 -1.01 -1.81 115.58 115.39 3iqo h ASN 37 Ca 0.04 -0.19 -0.31 0.00 -0.56 0.00 0.00 56.30 55.28 3iqo h ASN 37 Cb 0.11 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.14 3iqo h ASN 37 CO -0.00 0.82 -1.76 0.78 -1.06 0.00 0.00 177.43 176.21 3iqo h ASN 38 N 0.68 0.14 0.00 5.81 2.35 -0.80 -3.40 115.58 120.36 3iqo h ASN 38 Ca 0.13 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 3iqo h ASN 38 Cb 0.50 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3iqo h ASN 38 CO 0.03 1.27 -0.60 -0.62 -1.65 0.00 0.00 177.43 175.86 3iqo n GLU 39 N -3.20 3.29 -0.79 0.81 -0.58 0.49 -4.62 120.64 116.04 3iqo n GLU 39 Ca -0.20 -0.01 0.06 0.00 -0.42 0.00 0.00 57.16 56.58 3iqo n GLU 39 Cb 1.05 -1.00 0.15 0.00 -0.57 0.00 0.00 31.44 31.07 3iqo n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3iqo n LEU 40 N -1.32 2.15 0.29 -4.62 4.77 -0.68 -4.85 117.00 112.74 3iqo n LEU 40 Ca 0.01 -3.25 0.19 0.00 -0.03 0.00 0.00 56.01 52.93 3iqo n LEU 40 Cb 0.17 -0.37 0.83 0.00 -2.33 0.00 0.00 43.42 41.72 3iqo n LEU 40 CO 0.20 1.08 1.05 0.77 -1.33 0.00 0.00 177.39 179.15 3iqo h SER 41 N 0.89 0.00 0.76 -1.43 4.64 -1.76 0.17 113.55 116.82 3iqo h SER 41 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3iqo h SER 41 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3iqo h SER 41 CO 0.03 0.00 -0.55 1.41 -0.87 0.00 0.00 176.83 176.84 3iqo n HIS 42 N -3.07 0.35 -0.04 4.77 8.25 -1.26 -4.41 115.22 119.81 3iqo n HIS 42 Ca -0.00 0.10 -0.05 0.00 -0.26 0.00 0.00 57.72 57.51 3iqo n HIS 42 Cb 0.24 -0.52 -0.06 0.00 1.12 0.00 0.00 29.99 30.76 3iqo n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3iqo n PHE 43 N -1.88 0.00 -4.66 4.41 3.72 -0.54 -5.04 117.46 113.48 3iqo n PHE 43 Ca 0.04 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.20 3iqo n PHE 43 Cb 0.40 -0.42 -0.14 0.00 -0.94 0.00 0.00 39.48 38.38 3iqo n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3iqo s LEU 44 N -4.81 2.13 0.33 4.37 1.43 -0.06 -5.12 118.68 116.94 3iqo s LEU 44 Ca -0.06 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 3iqo s LEU 44 Cb 0.03 -0.89 -0.11 0.00 0.03 0.00 0.00 46.19 45.25 3iqo s LEU 44 CO 0.33 0.16 1.43 -1.61 0.23 0.00 0.00 176.35 176.89 3iqo s GLU 45 N -0.93 4.23 0.32 1.70 2.02 -1.26 -4.46 118.70 120.31 3iqo s GLU 45 Ca 0.06 2.40 -0.29 0.00 0.02 0.00 0.00 54.97 57.16 3iqo s GLU 45 Cb -0.08 -3.04 -0.12 0.00 0.10 0.00 0.00 34.13 30.99 3iqo s GLU 45 CO 0.01 -0.40 1.44 -1.91 0.02 0.00 0.00 175.26 174.41 3iqo n GLU 46 N 1.14 2.38 -3.15 1.61 2.13 -1.26 -4.95 120.64 118.54 3iqo n GLU 46 Ca 0.03 0.84 -0.40 0.00 0.66 0.00 0.00 57.16 58.28 3iqo n GLU 46 Cb 0.40 -2.52 -0.06 0.00 0.27 0.00 0.00 31.44 29.53 3iqo n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3iqo s ILE 47 N -0.61 5.03 0.00 6.31 1.01 -1.26 -4.93 121.20 126.75 3iqo s ILE 47 Ca 0.60 1.11 0.00 0.00 0.00 0.00 0.00 60.65 62.36 3iqo s ILE 47 Cb -0.55 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.01 3iqo s ILE 47 CO 0.57 0.11 0.40 0.29 0.00 0.00 0.00 174.94 176.31 3iqo n LYS 48 N 5.14 0.13 -4.82 2.79 5.02 -1.26 -5.00 118.16 120.16 3iqo n LYS 48 Ca -0.02 -0.48 -0.25 0.00 -2.02 0.00 0.00 58.31 55.54 3iqo n LYS 48 Cb 0.50 -0.75 -0.16 0.00 -0.02 0.00 0.00 35.03 34.60 3iqo n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3iqo s GLU 49 N -0.16 1.53 0.34 1.97 0.41 -1.26 -5.03 118.70 116.51 3iqo s GLU 49 Ca 0.00 -0.61 0.08 0.00 -0.41 0.00 0.00 54.97 54.03 3iqo s GLU 49 Cb 0.00 -1.42 0.78 0.00 -1.78 0.00 0.00 34.13 31.71 3iqo s GLU 49 CO 0.00 0.32 1.86 0.37 -0.49 0.00 0.00 175.26 177.32 3iqo h GLN 50 N 5.92 0.71 -0.68 1.61 5.75 -2.00 -1.57 115.11 124.86 3iqo h GLN 50 Ca -0.35 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.10 3iqo h GLN 50 Cb 1.16 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.51 3iqo h GLN 50 CO 0.48 0.47 0.38 1.49 -2.65 0.00 0.00 178.83 179.01 3iqo h GLU 51 N 0.74 0.93 0.01 1.69 4.81 -1.99 -0.30 114.58 120.47 3iqo h GLU 51 Ca 0.46 -0.09 -0.24 0.00 -0.13 0.00 0.00 59.36 59.36 3iqo h GLU 51 Cb 0.70 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.91 3iqo h GLU 51 CO -0.22 0.67 -0.95 0.28 -0.73 0.00 0.00 179.01 178.06 3iqo h VAL 52 N 0.94 1.32 -0.51 0.32 2.07 -1.73 -1.81 116.25 116.85 3iqo h VAL 52 Ca 0.24 -2.23 0.06 0.00 0.82 0.00 0.00 66.70 65.60 3iqo h VAL 52 Cb 0.00 2.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 3iqo h VAL 52 CO -0.04 0.68 0.22 0.58 0.02 0.00 0.00 177.57 179.03 3iqo h VAL 53 N 0.24 0.89 -0.64 2.57 2.07 -1.02 -1.31 116.25 119.05 3iqo h VAL 53 Ca -0.12 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 3iqo h VAL 53 Cb 1.62 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3iqo h VAL 53 CO 0.19 0.08 0.07 0.44 0.02 0.00 0.00 177.57 178.36 3iqo h ASP 54 N 0.43 1.04 -0.32 0.57 3.32 -0.99 -1.82 116.42 118.65 3iqo h ASP 54 Ca 0.24 -0.26 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 3iqo h ASP 54 Cb 0.21 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3iqo h ASP 54 CO -0.21 1.05 -0.45 0.50 -1.72 0.00 0.00 179.24 178.42 3iqo h LYS 55 N 1.00 0.87 -0.20 3.56 1.63 -1.00 -0.83 116.57 121.60 3iqo h LYS 55 Ca 0.19 -0.51 -0.00 0.00 -0.85 0.00 0.00 60.65 59.48 3iqo h LYS 55 Cb 0.48 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 3iqo h LYS 55 CO 0.02 1.15 0.12 0.28 -3.45 0.00 0.00 179.45 177.56 3iqo h VAL 56 N 0.66 1.08 -0.63 2.00 2.07 -1.09 -0.64 116.25 119.70 3iqo h VAL 56 Ca 0.03 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3iqo h VAL 56 Cb 1.05 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3iqo h VAL 56 CO 0.10 0.08 0.40 -0.03 0.02 0.00 0.00 177.57 178.15 3iqo h MET 57 N 0.23 0.84 -0.66 1.57 1.85 -1.23 -1.10 114.93 116.43 3iqo h MET 57 Ca 0.07 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 3iqo h MET 57 Cb 0.03 -0.18 -0.03 0.00 0.43 0.00 0.00 31.60 31.84 3iqo h MET 57 CO -0.01 0.57 0.37 1.49 -0.40 0.00 0.00 176.91 178.93 3iqo h GLU 58 N 0.85 0.90 -0.46 0.39 4.81 -0.91 0.65 114.58 120.82 3iqo h GLU 58 Ca 0.23 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 3iqo h GLU 58 Cb -0.07 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3iqo h GLU 58 CO -0.05 0.66 -0.13 1.15 -0.73 0.00 0.00 179.01 179.91 3iqo h THR 59 N 0.91 1.27 0.00 0.32 2.02 -0.47 -3.27 112.91 113.69 3iqo h THR 59 Ca 0.23 -1.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.11 3iqo h THR 59 Cb 0.01 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3iqo h THR 59 CO -0.04 0.43 -0.61 -0.07 0.37 0.00 0.00 175.52 175.61 3iqo h LEU 60 N 0.74 0.00 -7.84 2.58 3.38 -0.76 -3.42 115.31 109.99 3iqo h LEU 60 Ca 0.11 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.39 3iqo h LEU 60 Cb 0.68 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.30 3iqo h LEU 60 CO 0.05 0.17 1.65 -0.62 0.09 0.00 0.00 178.44 179.78 3iqo s ASP 61 N -5.93 6.88 0.42 -0.43 2.15 0.18 -4.81 116.67 115.13 3iqo s ASP 61 Ca 0.03 -2.54 0.20 0.00 0.43 0.00 0.00 52.55 50.67 3iqo s ASP 61 Cb 0.07 -2.49 0.90 0.00 -0.30 0.00 0.00 42.92 41.11 3iqo s ASP 61 CO 0.74 -1.02 1.85 0.28 -0.17 0.00 0.00 175.17 176.85 3iqo h SER 62 N 7.75 0.00 -0.22 -0.34 0.02 -1.85 -3.05 113.55 115.85 3iqo h SER 62 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3iqo h SER 62 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3iqo h SER 62 CO 1.33 0.30 0.00 -0.90 -1.14 0.00 0.00 176.83 176.42 3iqo n ASP 63 N -3.67 2.99 -0.04 3.07 5.68 -1.26 -5.00 116.55 118.31 3iqo n ASP 63 Ca -0.01 -1.88 -0.01 0.00 -0.50 0.00 0.00 54.79 52.39 3iqo n ASP 63 Cb 0.41 -0.14 -0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3iqo n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iqo n GLY 64 N 1.18 0.32 0.06 6.12 0.00 -1.15 -4.90 105.19 106.82 3iqo n GLY 64 Ca 0.15 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3iqo n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iqo n ASP 65 N -0.40 0.19 0.00 1.61 5.75 -1.26 -4.90 116.55 117.54 3iqo n ASP 65 Ca -0.01 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 3iqo n ASP 65 Cb 0.23 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 3iqo n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iqo n GLY 66 N 0.86 0.78 3.27 6.12 0.00 -1.26 -5.02 105.19 109.94 3iqo n GLY 66 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 3iqo n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iqo s GLU 67 N -0.14 1.16 -0.33 1.61 2.02 -1.26 -4.53 118.70 117.24 3iqo s GLU 67 Ca 0.00 -1.56 -0.09 0.00 0.02 0.00 0.00 54.97 53.34 3iqo s GLU 67 Cb 0.00 -0.43 0.01 0.00 0.10 0.00 0.00 34.13 33.82 3iqo s GLU 67 CO 0.00 -0.09 0.14 0.00 0.02 0.00 0.00 175.26 175.34 3iqo n ASP 69 N 4.94 0.87 -0.23 0.00 5.68 -1.26 -0.52 116.55 126.03 3iqo n ASP 69 Ca -0.13 -1.83 -0.08 0.00 -0.50 0.00 0.00 54.79 52.25 3iqo n ASP 69 Cb 0.48 -0.66 0.05 0.00 -1.14 0.00 0.00 41.12 39.85 3iqo n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3iqo h PHE 70 N -0.89 1.16 -0.73 2.11 3.57 -1.99 0.49 116.94 120.66 3iqo h PHE 70 Ca -0.31 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 60.96 3iqo h PHE 70 Cb 1.05 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 3iqo h PHE 70 CO 0.00 0.98 0.22 1.96 -2.23 0.00 0.00 178.31 179.24 3iqo h GLN 71 N 1.01 1.14 -0.36 1.11 1.08 -1.97 0.84 115.11 117.96 3iqo h GLN 71 Ca 0.20 -0.25 -0.14 0.00 -1.45 0.00 0.00 58.65 57.01 3iqo h GLN 71 Cb 0.46 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3iqo h GLN 71 CO 0.02 0.98 -0.34 0.93 -0.95 0.00 0.00 178.83 179.46 3iqo h GLU 72 N 1.09 0.82 -0.42 1.46 5.08 -1.77 -1.91 114.58 118.93 3iqo h GLU 72 Ca 0.23 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3iqo h GLU 72 Cb 0.32 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3iqo h GLU 72 CO -0.01 1.04 0.23 0.35 -1.00 0.00 0.00 179.01 179.62 3iqo h PHE 73 N 0.69 0.59 -0.91 4.33 3.57 -0.49 -1.84 116.94 122.87 3iqo h PHE 73 Ca 0.07 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.62 3iqo h PHE 73 Cb 0.90 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 3iqo h PHE 73 CO 0.05 0.45 0.59 0.52 -2.23 0.00 0.00 178.31 177.69 3iqo h MET 74 N 0.55 0.98 -0.54 1.11 2.86 -0.53 0.40 114.93 119.75 3iqo h MET 74 Ca 0.15 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3iqo h MET 74 Cb 0.07 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 3iqo h MET 74 CO -0.02 0.65 0.18 0.00 1.06 0.00 0.00 176.91 178.77 3iqo h ALA 75 N 1.52 1.29 -0.37 6.32 0.00 -1.05 -0.06 119.26 126.91 3iqo h ALA 75 Ca 0.40 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3iqo h ALA 75 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3iqo h ALA 75 CO -0.16 0.51 0.04 0.35 0.00 0.00 0.00 179.25 179.99 3iqo h PHE 76 N 0.79 0.68 -0.78 0.00 3.57 -0.47 -1.48 116.94 119.26 3iqo h PHE 76 Ca 0.18 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3iqo h PHE 76 Cb 0.22 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 3iqo h PHE 76 CO 0.01 0.70 0.47 0.28 -2.23 0.00 0.00 178.31 177.54 3iqo h VAL 77 N 0.46 1.22 -0.92 1.41 2.07 -0.57 -1.83 116.25 118.10 3iqo h VAL 77 Ca 0.11 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3iqo h VAL 77 Cb 0.40 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3iqo h VAL 77 CO 0.01 0.23 0.58 0.00 0.02 0.00 0.00 177.57 178.41 3iqo h ALA 78 N 1.25 1.17 -0.31 1.67 0.00 -0.83 0.19 119.26 122.41 3iqo h ALA 78 Ca 0.28 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3iqo h ALA 78 Cb -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 3iqo h ALA 78 CO -0.05 0.61 0.17 0.52 0.00 0.00 0.00 179.25 180.50 3iqo h MET 79 N 1.26 0.35 -0.17 0.00 2.07 -0.49 -0.69 114.93 117.26 3iqo h MET 79 Ca 0.33 -0.02 -0.03 0.00 -2.07 0.00 0.00 59.70 57.92 3iqo h MET 79 Cb -0.09 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.55 3iqo h MET 79 CO -0.07 0.23 -0.00 0.82 1.07 0.00 0.00 176.91 178.96 3iqo h ILE 80 N 0.36 1.26 -0.62 -1.22 2.04 -0.95 -2.06 117.51 116.32 3iqo h ILE 80 Ca 0.13 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 3iqo h ILE 80 Cb 0.02 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3iqo h ILE 80 CO -0.07 0.26 0.16 0.71 0.00 0.00 0.00 178.15 179.21 3iqo h THR 81 N 0.04 1.25 -0.47 -0.27 1.35 -0.85 -1.33 112.91 112.64 3iqo h THR 81 Ca 0.05 -0.91 -0.09 0.00 -0.55 0.00 0.00 66.41 64.91 3iqo h THR 81 Cb 0.39 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 3iqo h THR 81 CO 0.01 0.34 -0.08 0.71 -0.25 0.00 0.00 175.52 176.26 3iqo h THR 82 N 0.91 1.26 -0.78 6.82 1.35 -1.11 0.22 112.91 121.58 3iqo h THR 82 Ca 0.20 -1.14 -0.02 0.00 -0.55 0.00 0.00 66.41 64.89 3iqo h THR 82 Cb 0.35 0.98 -0.04 0.00 -1.73 0.00 0.00 68.15 67.71 3iqo h THR 82 CO 0.00 0.40 0.39 0.00 -0.25 0.00 0.00 175.52 176.06 3iqo h ALA 83 N 1.15 1.00 -0.37 6.62 0.00 -1.05 -0.01 119.26 126.61 3iqo h ALA 83 Ca 0.13 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3iqo h ALA 83 Cb 0.57 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3iqo h ALA 83 CO 0.03 0.55 -0.16 0.00 0.00 0.00 0.00 179.25 179.67 3iqo h HIS 85 N 0.57 0.39 -0.37 0.00 6.17 -0.80 -2.53 115.15 118.58 3iqo h HIS 85 Ca 0.09 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.14 3iqo h HIS 85 Cb 0.71 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 30.50 3iqo h HIS 85 CO 0.06 0.21 0.05 1.49 0.71 0.00 0.00 177.93 180.45 3iqo h GLU 86 N 0.43 0.55 -0.55 5.26 4.81 -0.89 -2.86 114.58 121.33 3iqo h GLU 86 Ca 0.17 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 3iqo h GLU 86 Cb 0.06 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3iqo h GLU 86 CO -0.11 0.54 -0.04 0.35 -0.73 0.00 0.00 179.01 179.02 3iqo h PHE 87 N 0.53 1.07 -0.02 0.92 3.57 -0.95 -3.51 116.94 118.55 3iqo h PHE 87 Ca 0.12 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3iqo h PHE 87 Cb 0.26 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3iqo h PHE 87 CO 0.01 0.97 0.00 1.19 -2.23 0.00 0.00 178.31 178.25