#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqo s HIS 2 N 0.00 1.08 0.15 6.00 2.46 -1.26 -0.31 115.29 123.42 1gqo s HIS 2 Ca 0.00 -0.42 0.11 0.00 0.47 0.00 0.00 55.06 55.22 1gqo s HIS 2 Cb 0.00 -0.94 -0.04 0.00 -0.13 0.00 0.00 32.58 31.47 1gqo s HIS 2 CO 0.00 -0.34 -0.26 -0.06 -2.47 0.00 0.00 174.74 171.62 1gqo s PHE 3 N 1.36 2.30 -0.22 3.88 2.99 -0.44 -0.64 117.98 127.21 1gqo s PHE 3 Ca -0.03 -0.37 -0.09 0.00 0.00 0.00 0.00 56.93 56.44 1gqo s PHE 3 Cb -0.14 -1.21 -0.04 0.00 0.00 0.00 0.00 43.02 41.63 1gqo s PHE 3 CO -0.03 0.40 0.11 -1.17 -0.00 0.00 0.00 175.22 174.53 1gqo s LEU 4 N -2.28 3.95 -0.45 -0.37 0.20 -0.88 -1.82 118.68 117.03 1gqo s LEU 4 Ca 0.16 0.08 -0.16 0.00 0.69 0.00 0.00 54.13 54.90 1gqo s LEU 4 Cb -0.09 -2.04 0.05 0.00 -0.43 0.00 0.00 46.19 43.68 1gqo s LEU 4 CO 0.07 0.10 0.42 -0.63 -0.29 0.00 0.00 176.35 176.03 1gqo s ILE 5 N 0.83 5.15 -0.19 6.68 -1.09 -0.10 -0.27 121.20 132.21 1gqo s ILE 5 Ca 0.06 -0.72 -0.03 0.00 -2.23 0.00 0.00 60.65 57.74 1gqo s ILE 5 Cb -0.13 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.65 1gqo s ILE 5 CO 0.02 -0.52 -0.07 -0.22 -1.23 0.00 0.00 174.94 172.92 1gqo s LEU 6 N 1.93 2.84 -0.07 2.97 0.20 0.12 -1.93 118.68 124.73 1gqo s LEU 6 Ca 0.08 -0.36 0.05 0.00 0.69 0.00 0.00 54.13 54.59 1gqo s LEU 6 Cb -0.21 -1.70 -0.00 0.00 -0.43 0.00 0.00 46.19 43.85 1gqo s LEU 6 CO 0.10 0.05 -0.23 0.20 -0.29 0.00 0.00 176.35 176.18 1gqo s ASN 7 N 1.05 2.88 0.03 3.68 0.01 0.14 -1.71 114.94 121.02 1gqo s ASN 7 Ca 0.00 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1gqo s ASN 7 Cb -0.15 -1.05 0.00 0.00 0.41 0.00 0.00 41.25 40.46 1gqo s ASN 7 CO -0.01 0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 1gqo n GLY 8 N 3.27 0.69 3.77 0.66 0.00 0.16 -2.05 105.19 111.70 1gqo n GLY 8 Ca -0.19 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 1gqo n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gqo s PRO 9 N 1.40 3.67 0.00 1.61 0.04 -1.00 -2.32 135.00 138.41 1gqo s PRO 9 Ca 0.00 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1gqo s PRO 9 Cb 0.00 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1gqo s PRO 9 CO 0.00 -0.83 0.00 0.09 0.04 0.00 0.00 177.00 176.30 1gqo n ASN 10 N -0.21 0.00 0.22 6.66 3.02 -1.26 -4.49 115.26 119.20 1gqo n ASN 10 Ca 0.05 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.70 1gqo n ASN 10 Cb 0.42 -1.82 0.48 0.00 -0.61 0.00 0.00 39.78 38.25 1gqo n ASN 10 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1gqo h VAL 11 N 0.00 0.57 0.00 2.41 2.07 -1.83 -1.73 116.25 117.74 1gqo h VAL 11 Ca 0.00 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1gqo h VAL 11 Cb 0.00 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1gqo h VAL 11 CO 0.00 0.22 0.00 -0.55 0.02 0.00 0.00 177.57 177.26 1gqo h ASN 12 N 0.00 0.00 -0.04 0.57 -1.07 -1.88 -2.92 115.58 110.24 1gqo h ASN 12 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1gqo h ASN 12 Cb 0.71 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.96 1gqo h ASN 12 CO 0.03 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.07 1gqo n ARG 13 N -2.83 1.51 -1.66 4.14 5.12 -0.65 -4.67 116.66 117.61 1gqo n ARG 13 Ca 0.00 -0.75 -0.54 0.00 -1.93 0.00 0.00 57.85 54.63 1gqo n ARG 13 Cb 0.24 -1.45 -0.06 0.00 -1.16 0.00 0.00 32.46 30.03 1gqo n ARG 13 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1gqo n LEU 14 N -0.07 2.29 0.00 0.55 4.32 -1.10 -5.02 117.00 117.96 1gqo n LEU 14 Ca 0.19 1.08 0.00 0.00 -0.02 0.00 0.00 56.01 57.26 1gqo n LEU 14 Cb 0.29 -1.20 0.00 0.00 -1.62 0.00 0.00 43.42 40.88 1gqo n LEU 14 CO 0.16 -0.59 0.00 0.61 -1.22 0.00 0.00 177.39 176.34 1gqo n GLY 15 N 3.59 2.50 0.00 -0.72 0.00 -1.26 -4.15 105.19 105.15 1gqo n GLY 15 Ca 0.23 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1gqo n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gqo n GLN 25 N 1.22 0.00 -2.84 1.61 10.64 -1.26 -5.21 117.38 121.55 1gqo n GLN 25 Ca 0.00 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.97 1gqo n GLN 25 Cb 0.00 0.00 0.05 0.00 -0.86 0.00 0.00 30.24 29.43 1gqo n GLN 25 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1gqo s THR 26 N 0.00 2.50 0.17 -0.39 -4.23 -1.26 -4.95 115.64 107.48 1gqo s THR 26 Ca 0.00 -0.83 -0.12 0.00 -1.18 0.00 0.00 61.69 59.56 1gqo s THR 26 Cb 0.00 -2.67 0.08 0.00 1.34 0.00 0.00 72.50 71.25 1gqo s THR 26 CO 0.00 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.06 1gqo h LEU 27 N 0.13 0.84 -0.69 4.79 5.85 -1.83 -1.45 115.31 122.94 1gqo h LEU 27 Ca -0.37 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.25 1gqo h LEU 27 Cb 1.28 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1gqo h LEU 27 CO 0.45 0.78 0.37 0.74 -0.34 0.00 0.00 178.44 180.44 1gqo h THR 28 N 0.84 0.91 -0.02 1.05 2.02 -1.94 -0.38 112.91 115.38 1gqo h THR 28 Ca 0.20 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1gqo h THR 28 Cb 0.21 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 1gqo h THR 28 CO -0.02 0.12 -0.19 0.44 0.37 0.00 0.00 175.52 176.25 1gqo h ASP 29 N 0.65 -0.55 -0.30 4.18 3.32 -1.72 -0.84 116.42 121.15 1gqo h ASP 29 Ca 0.33 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.49 1gqo h ASP 29 Cb 0.28 0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1gqo h ASP 29 CO -0.23 -0.25 0.10 0.40 -1.72 0.00 0.00 179.24 177.55 1gqo h ILE 30 N -0.29 0.92 -0.82 0.35 2.04 -0.58 -1.76 117.51 117.37 1gqo h ILE 30 Ca 0.06 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1gqo h ILE 30 Cb 0.38 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1gqo h ILE 30 CO -0.19 0.04 0.51 -0.33 0.00 0.00 0.00 178.15 178.19 1gqo h GLU 31 N 0.23 1.10 0.03 2.37 5.08 -0.63 -1.22 114.58 121.54 1gqo h GLU 31 Ca 0.13 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1gqo h GLU 31 Cb 0.10 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1gqo h GLU 31 CO -0.14 0.75 -0.03 1.15 -1.00 0.00 0.00 179.01 179.75 1gqo h THR 32 N 1.13 0.94 -0.77 1.13 2.02 -0.73 0.42 112.91 117.05 1gqo h THR 32 Ca 0.30 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.53 1gqo h THR 32 Cb -0.08 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 1gqo h THR 32 CO -0.06 0.00 0.46 0.44 0.37 0.00 0.00 175.52 176.73 1gqo h ASP 33 N -0.06 0.72 -0.11 4.18 5.19 -1.10 -1.01 116.42 124.23 1gqo h ASP 33 Ca 0.00 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.31 1gqo h ASP 33 Cb 0.06 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1gqo h ASP 33 CO -0.01 0.47 -0.32 -0.07 -3.12 0.00 0.00 179.24 176.19 1gqo h LEU 34 N 0.85 0.61 -0.82 1.55 3.38 -1.05 -0.28 115.31 119.56 1gqo h LEU 34 Ca 0.33 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1gqo h LEU 34 Cb 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1gqo h LEU 34 CO -0.17 0.89 0.49 -0.26 0.09 0.00 0.00 178.44 179.49 1gqo h PHE 35 N 0.50 1.08 -0.41 1.13 0.05 -0.04 0.14 116.94 119.38 1gqo h PHE 35 Ca 0.06 -0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.80 1gqo h PHE 35 Cb 0.80 -0.35 -0.02 0.00 2.00 0.00 0.00 35.95 38.38 1gqo h PHE 35 CO 0.03 0.72 0.08 1.96 -0.18 0.00 0.00 178.31 180.92 1gqo h GLN 36 N 1.12 0.67 -0.26 1.51 4.20 -0.92 -0.84 115.11 120.59 1gqo h GLN 36 Ca 0.29 -0.17 0.03 0.00 0.06 0.00 0.00 58.65 58.86 1gqo h GLN 36 Cb -0.04 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1gqo h GLN 36 CO -0.05 0.71 0.08 0.35 -0.67 0.00 0.00 178.83 179.24 1gqo h PHE 37 N 0.53 0.14 -0.18 2.96 3.57 -0.79 -0.91 116.94 122.26 1gqo h PHE 37 Ca 0.13 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1gqo h PHE 37 Cb 0.35 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 1gqo h PHE 37 CO 0.02 0.06 -0.17 0.00 -2.23 0.00 0.00 178.31 175.99 1gqo h ALA 38 N 1.17 -0.06 -0.32 2.41 0.00 -0.54 -1.91 119.26 120.01 1gqo h ALA 38 Ca 0.12 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1gqo h ALA 38 Cb 0.10 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1gqo h ALA 38 CO -0.13 -0.61 -0.06 0.93 0.00 0.00 0.00 179.25 179.38 1gqo h GLU 39 N -0.19 0.02 -0.31 0.00 3.07 -0.58 -2.08 114.58 114.50 1gqo h GLU 39 Ca 0.12 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1gqo h GLU 39 Cb 0.36 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1gqo h GLU 39 CO -0.30 0.01 0.21 0.00 -1.40 0.00 0.00 179.01 177.53 1gqo h ALA 40 N 1.31 1.78 -0.41 3.43 0.00 -0.52 -2.94 119.26 121.92 1gqo h ALA 40 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gqo h ALA 40 Cb 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1gqo h ALA 40 CO -0.32 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.41 1gqo n LEU 41 N -4.49 2.71 -2.85 0.00 4.77 -0.78 -4.96 117.00 111.40 1gqo n LEU 41 Ca 0.02 -1.26 -0.15 0.00 -0.03 0.00 0.00 56.01 54.59 1gqo n LEU 41 Cb 0.07 -0.27 0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1gqo n LEU 41 CO 0.35 0.63 0.12 1.41 -1.33 0.00 0.00 177.39 178.57 1gqo n HIS 42 N 0.99 -1.86 -4.23 -1.77 8.25 -0.82 -5.04 115.22 110.74 1gqo n HIS 42 Ca 0.18 0.74 -0.15 0.00 -0.26 0.00 0.00 57.72 58.23 1gqo n HIS 42 Cb 0.46 -4.25 -0.10 0.00 1.12 0.00 0.00 29.99 27.22 1gqo n HIS 42 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1gqo s ILE 43 N -3.26 1.13 0.07 1.59 -4.36 -0.97 -4.58 121.20 110.82 1gqo s ILE 43 Ca 0.16 -1.91 0.02 0.00 -0.26 0.00 0.00 60.65 58.67 1gqo s ILE 43 Cb -0.07 -1.68 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 1gqo s ILE 43 CO 0.55 -0.65 0.09 -1.10 0.24 0.00 0.00 174.94 174.07 1gqo s GLN 44 N -3.35 2.97 0.02 0.37 -0.21 0.58 -4.35 119.66 115.69 1gqo s GLN 44 Ca 0.13 -0.64 0.04 0.00 0.02 0.00 0.00 55.36 54.91 1gqo s GLN 44 Cb 0.00 -2.78 -0.02 0.00 1.00 0.00 0.00 33.01 31.22 1gqo s GLN 44 CO 0.01 0.58 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.14 1gqo s LEU 45 N -2.31 2.13 -0.03 2.90 1.43 -1.26 -1.32 118.68 120.21 1gqo s LEU 45 Ca 0.29 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1gqo s LEU 45 Cb -0.12 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 1gqo s LEU 45 CO 0.22 0.03 -0.18 -0.89 0.23 0.00 0.00 176.35 175.75 1gqo s THR 46 N -0.70 1.50 -0.08 5.49 2.01 -0.75 -4.96 115.64 118.16 1gqo s THR 46 Ca 0.01 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1gqo s THR 46 Cb -0.07 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 1gqo s THR 46 CO 0.01 0.43 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.93 1gqo s PHE 47 N -0.22 2.93 -0.14 4.92 0.40 -1.26 -0.92 117.98 123.69 1gqo s PHE 47 Ca 0.02 -0.03 -0.09 0.00 -0.60 0.00 0.00 56.93 56.23 1gqo s PHE 47 Cb -0.09 -1.73 0.05 0.00 0.51 0.00 0.00 43.02 41.75 1gqo s PHE 47 CO 0.01 0.28 0.35 0.12 0.70 0.00 0.00 175.22 176.68 1gqo s PHE 48 N -0.66 -0.48 0.02 0.36 5.36 -0.81 -4.98 117.98 116.78 1gqo s PHE 48 Ca 0.10 1.07 0.06 0.00 -0.96 0.00 0.00 56.93 57.20 1gqo s PHE 48 Cb -0.11 0.17 -0.02 0.00 -0.34 0.00 0.00 43.02 42.72 1gqo s PHE 48 CO 0.02 -0.27 -0.19 -1.14 -1.46 0.00 0.00 175.22 172.18 1gqo s GLN 49 N 1.06 1.37 -0.04 10.12 -0.44 -1.26 -0.69 119.66 129.78 1gqo s GLN 49 Ca -0.07 -0.79 -0.28 0.00 -2.50 0.00 0.00 55.36 51.72 1gqo s GLN 49 Cb -0.07 -1.39 0.06 0.00 -1.64 0.00 0.00 33.01 29.96 1gqo s GLN 49 CO -0.08 0.37 0.62 0.45 0.50 0.00 0.00 175.29 177.14 1gqo s SER 50 N -0.84 -0.58 0.00 6.67 0.15 -0.87 -4.99 113.70 113.24 1gqo s SER 50 Ca 0.06 0.60 0.27 0.00 0.70 0.00 0.00 55.95 57.58 1gqo s SER 50 Cb -0.08 0.50 0.80 0.00 -1.71 0.00 0.00 66.02 65.53 1gqo s SER 50 CO 0.01 -0.59 1.60 0.59 1.20 0.00 0.00 173.24 176.05 1gqo n ASN 51 N 0.94 1.86 -4.61 5.45 3.02 -1.26 -2.37 115.26 118.30 1gqo n ASN 51 Ca -0.19 -1.59 -0.36 0.00 -0.03 0.00 0.00 54.58 52.40 1gqo n ASN 51 Cb 0.57 0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.65 1gqo n ASN 51 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gqo s HIS 52 N -2.04 3.24 0.23 3.10 3.76 -1.26 -4.69 115.29 117.63 1gqo s HIS 52 Ca 0.34 0.05 -0.07 0.00 -0.15 0.00 0.00 55.06 55.23 1gqo s HIS 52 Cb 0.21 -2.22 0.31 0.00 1.11 0.00 0.00 32.58 31.99 1gqo s HIS 52 CO 0.34 -0.01 1.81 1.49 -0.85 0.00 0.00 174.74 177.53 1gqo h GLU 53 N 7.49 0.74 -0.45 1.40 4.81 -2.01 -2.35 114.58 124.21 1gqo h GLU 53 Ca -0.37 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 1gqo h GLU 53 Cb 1.17 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1gqo h GLU 53 CO 0.65 0.49 0.11 0.78 -0.73 0.00 0.00 179.01 180.31 1gqo h GLY 54 N 0.77 0.71 1.24 1.92 0.00 -1.99 -2.26 103.07 103.46 1gqo h GLY 54 Ca 0.35 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 1gqo h GLY 54 CO -0.21 0.36 -0.19 -0.55 0.00 0.00 0.00 176.54 175.96 1gqo h ASP 55 N 0.65 0.89 -0.49 0.19 3.32 -1.85 -1.10 116.42 118.03 1gqo h ASP 55 Ca 0.15 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 1gqo h ASP 55 Cb 0.23 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1gqo h ASP 55 CO -0.00 1.05 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.38 1gqo h LEU 56 N 0.77 0.96 0.18 1.55 3.38 -1.38 -1.89 115.31 118.87 1gqo h LEU 56 Ca 0.11 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1gqo h LEU 56 Cb 0.72 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1gqo h LEU 56 CO 0.06 1.10 -0.09 0.40 0.09 0.00 0.00 178.44 180.00 1gqo h ILE 57 N 0.81 0.87 -0.73 1.22 2.04 -1.38 -1.04 117.51 119.31 1gqo h ILE 57 Ca 0.12 -0.23 0.15 0.00 1.00 0.00 0.00 64.86 65.90 1gqo h ILE 57 Cb 0.68 1.01 -0.10 0.00 -0.74 0.00 0.00 36.82 37.68 1gqo h ILE 57 CO 0.05 0.05 0.23 0.44 0.00 0.00 0.00 178.15 178.93 1gqo h ASP 58 N -0.35 0.14 0.20 1.72 3.32 -1.18 -1.63 116.42 118.64 1gqo h ASP 58 Ca -0.02 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1gqo h ASP 58 Cb 0.27 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1gqo h ASP 58 CO 0.04 0.04 -0.30 0.00 -1.72 0.00 0.00 179.24 177.30 1gqo h ALA 59 N 1.56 1.33 -0.14 3.45 0.00 -1.18 -1.80 119.26 122.49 1gqo h ALA 59 Ca 0.40 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1gqo h ALA 59 Cb 0.64 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1gqo h ALA 59 CO -0.44 0.47 -0.54 0.82 0.00 0.00 0.00 179.25 179.55 1gqo h ILE 60 N 0.15 1.34 -0.63 0.00 2.04 -0.31 -1.94 117.51 118.16 1gqo h ILE 60 Ca 0.02 -1.82 -0.00 0.00 1.00 0.00 0.00 64.86 64.06 1gqo h ILE 60 Cb 0.61 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.74 1gqo h ILE 60 CO 0.04 0.56 0.38 0.45 0.00 0.00 0.00 178.15 179.58 1gqo h HIS 61 N 0.25 0.82 0.00 1.37 3.86 -1.01 -2.39 115.15 118.05 1gqo h HIS 61 Ca -0.03 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1gqo h HIS 61 Cb 1.17 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.37 1gqo h HIS 61 CO 0.10 0.56 0.00 0.93 0.86 0.00 0.00 177.93 180.38 1gqo h GLU 62 N 0.85 0.00 -0.37 2.45 5.08 -1.30 -3.31 114.58 117.99 1gqo h GLU 62 Ca 0.23 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1gqo h GLU 62 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1gqo h GLU 62 CO -0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 179.01 177.89 1gqo h ALA 63 N 2.40 1.17 -1.05 3.43 0.00 -0.80 -3.25 119.26 121.16 1gqo h ALA 63 Ca 0.00 -0.27 0.29 0.00 0.00 0.00 0.00 54.91 54.93 1gqo h ALA 63 Cb 0.79 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.30 1gqo h ALA 63 CO 0.00 0.53 0.64 1.49 0.00 0.00 0.00 179.25 181.91 1gqo h GLU 64 N 0.58 0.40 -0.63 0.00 4.57 -1.65 -0.10 114.58 117.75 1gqo h GLU 64 Ca 0.11 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1gqo h GLU 64 Cb 0.49 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1gqo h GLU 64 CO 0.03 0.26 0.00 0.39 -1.18 0.00 0.00 179.01 178.51 1gqo n GLU 65 N -4.81 3.13 0.00 1.92 1.02 -1.23 -4.53 120.64 116.15 1gqo n GLU 65 Ca 0.28 -2.35 0.00 0.00 -0.02 0.00 0.00 57.16 55.08 1gqo n GLU 65 Cb 0.91 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 1gqo n GLU 65 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1gqo n GLN 66 N 0.97 0.00 -4.46 3.49 7.27 -0.77 -5.14 117.38 118.74 1gqo n GLN 66 Ca 0.21 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 57.00 1gqo n GLN 66 Cb 0.72 -0.40 -0.09 0.00 2.41 0.00 0.00 30.24 32.88 1gqo n GLN 66 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1gqo s TYR 67 N -1.00 2.35 -1.07 3.69 1.51 -0.12 -4.93 117.35 117.78 1gqo s TYR 67 Ca 0.00 -0.72 0.09 0.00 -1.01 0.00 0.00 57.07 55.44 1gqo s TYR 67 Cb 0.00 -1.81 0.14 0.00 -0.11 0.00 0.00 41.96 40.18 1gqo s TYR 67 CO 0.00 0.27 0.94 -1.13 -1.11 0.00 0.00 175.55 174.52 1gqo n SER 68 N -1.16 2.12 -3.61 2.29 3.41 0.19 -4.77 113.62 112.10 1gqo n SER 68 Ca -0.07 -1.59 -0.03 0.00 -0.26 0.00 0.00 58.87 56.93 1gqo n SER 68 Cb 0.66 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 1gqo n SER 68 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1gqo s GLY 69 N -0.87 -0.31 -0.01 5.00 0.00 -1.25 -4.44 107.32 105.44 1gqo s GLY 69 Ca 0.14 1.42 0.02 0.00 0.00 0.00 0.00 44.72 46.30 1gqo s GLY 69 CO 0.13 0.44 -0.08 -0.42 0.00 0.00 0.00 173.10 173.17 1gqo s ILE 70 N -2.36 0.63 -0.34 0.90 1.01 -0.63 -2.06 121.20 118.35 1gqo s ILE 70 Ca 0.11 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1gqo s ILE 70 Cb 0.01 -0.53 0.04 0.00 0.01 0.00 0.00 42.46 41.99 1gqo s ILE 70 CO -0.04 0.18 0.10 -0.69 0.00 0.00 0.00 174.94 174.49 1gqo s VAL 71 N -0.16 3.72 -0.17 2.92 1.01 0.62 -1.76 120.40 126.58 1gqo s VAL 71 Ca 0.03 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 1gqo s VAL 71 Cb -0.03 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 1gqo s VAL 71 CO -0.00 -0.19 -0.07 -0.22 0.00 0.00 0.00 175.10 174.61 1gqo s LEU 72 N 1.39 2.93 -0.55 3.92 2.96 0.01 0.11 118.68 129.45 1gqo s LEU 72 Ca -0.02 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1gqo s LEU 72 Cb -0.20 -1.70 0.14 0.00 0.50 0.00 0.00 46.19 44.93 1gqo s LEU 72 CO 0.02 0.10 0.30 0.21 -1.32 0.00 0.00 176.35 175.66 1gqo s ASN 73 N 0.75 4.48 0.00 3.68 3.84 -0.69 -0.66 114.94 126.33 1gqo s ASN 73 Ca -0.03 -3.03 0.21 0.00 0.21 0.00 0.00 52.86 50.22 1gqo s ASN 73 Cb -0.15 -1.67 1.22 0.00 -0.55 0.00 0.00 41.25 40.10 1gqo s ASN 73 CO 0.02 -0.25 1.79 -0.81 -2.79 0.00 0.00 177.10 175.07 1gqo n PRO 74 N 3.11 1.08 0.00 0.43 -0.04 -1.26 0.40 135.00 138.73 1gqo n PRO 74 Ca 0.06 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1gqo n PRO 74 Cb 0.33 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1gqo n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gqo n GLY 75 N 0.87 1.11 0.04 0.55 0.00 -1.26 -2.48 105.19 104.02 1gqo n GLY 75 Ca 0.16 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.62 1gqo n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqo n ALA 76 N 5.58 1.59 0.31 4.61 0.00 -1.26 -2.25 120.51 129.09 1gqo n ALA 76 Ca 0.00 -0.01 0.20 0.00 0.00 0.00 0.00 53.44 53.63 1gqo n ALA 76 Cb 0.00 -1.26 0.98 0.00 0.00 0.00 0.00 19.45 19.17 1gqo n ALA 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1gqo h LEU 77 N 0.00 0.00 -0.93 0.00 3.38 -1.86 -1.47 115.31 114.43 1gqo h LEU 77 Ca 0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 1gqo h LEU 77 Cb 0.25 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.89 1gqo h LEU 77 CO 0.00 0.00 0.48 -1.28 0.09 0.00 0.00 178.44 177.73 1gqo h SER 78 N 0.00 0.52 1.08 -0.43 0.87 -1.61 -0.20 113.55 113.79 1gqo h SER 78 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1gqo h SER 78 Cb 0.16 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1gqo h SER 78 CO 0.00 0.11 -0.12 1.41 -0.53 0.00 0.00 176.83 177.70 1gqo n HIS 79 N -4.93 0.36 -0.22 2.24 8.25 -0.55 -0.75 115.22 119.62 1gqo n HIS 79 Ca 0.22 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1gqo n HIS 79 Cb 0.62 -0.63 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1gqo n HIS 79 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1gqo n TYR 80 N -1.81 0.00 -2.82 4.41 0.18 -1.00 -4.63 117.16 111.49 1gqo n TYR 80 Ca 0.06 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.41 1gqo n TYR 80 Cb 0.38 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.33 1gqo n TYR 80 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1gqo s SER 81 N 0.00 6.82 0.57 9.48 0.15 -0.12 -4.75 113.70 125.85 1gqo s SER 81 Ca 0.00 -2.40 0.34 0.00 0.70 0.00 0.00 55.95 54.59 1gqo s SER 81 Cb 0.00 -2.46 1.69 0.00 -1.71 0.00 0.00 66.02 63.54 1gqo s SER 81 CO 0.00 -1.02 2.12 1.88 1.20 0.00 0.00 173.24 177.42 1gqo h TYR 82 N 8.08 0.00 -0.72 3.44 0.99 -1.92 -2.66 116.97 124.18 1gqo h TYR 82 Ca 0.28 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.96 1gqo h TYR 82 Cb 0.93 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.63 1gqo h TYR 82 CO 1.21 0.05 0.25 0.00 -0.00 0.00 0.00 178.16 179.67 1gqo h ALA 83 N 1.95 1.07 -0.16 3.88 0.00 -1.98 -2.45 119.26 121.56 1gqo h ALA 83 Ca -0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1gqo h ALA 83 Cb 0.31 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1gqo h ALA 83 CO 0.01 0.64 -0.60 0.82 0.00 0.00 0.00 179.25 180.12 1gqo h ILE 84 N 1.06 1.33 -0.05 0.00 2.04 -1.85 -2.63 117.51 117.42 1gqo h ILE 84 Ca 0.24 -1.88 0.04 0.00 1.00 0.00 0.00 64.86 64.25 1gqo h ILE 84 Cb 0.27 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 1gqo h ILE 84 CO -0.01 0.58 -0.23 -0.09 0.00 0.00 0.00 178.15 178.40 1gqo h ARG 85 N 0.40 -0.32 0.00 2.37 2.43 -1.38 -1.54 114.38 116.34 1gqo h ARG 85 Ca -0.00 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1gqo h ARG 85 Cb 1.16 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1gqo h ARG 85 CO 0.11 -0.21 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.71 1gqo h ASP 86 N -0.33 0.00 0.02 -3.80 3.32 -1.39 -2.18 116.42 112.06 1gqo h ASP 86 Ca 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1gqo h ASP 86 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1gqo h ASP 86 CO -0.24 0.21 -0.01 0.00 -1.72 0.00 0.00 179.24 177.47 1gqo h ALA 87 N 1.79 -0.03 -0.62 3.45 0.00 -0.94 -0.83 119.26 122.09 1gqo h ALA 87 Ca -0.00 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1gqo h ALA 87 Cb 0.38 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1gqo h ALA 87 CO 0.03 -0.32 0.15 0.28 0.00 0.00 0.00 179.25 179.40 1gqo h VAL 88 N -0.43 0.65 0.00 0.00 2.07 -1.01 -1.84 116.25 115.69 1gqo h VAL 88 Ca -0.00 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1gqo h VAL 88 Cb 0.41 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1gqo h VAL 88 CO 0.00 0.05 -0.29 0.28 0.02 0.00 0.00 177.57 177.64 1gqo h SER 89 N 0.29 0.00 -0.16 0.57 0.02 -1.24 -3.02 113.55 110.01 1gqo h SER 89 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1gqo h SER 89 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1gqo h SER 89 CO -0.40 0.29 0.00 -1.54 -1.14 0.00 0.00 176.83 174.05 1gqo n SER 90 N -3.89 1.00 -4.35 3.07 3.41 -0.33 -4.88 113.62 107.64 1gqo n SER 90 Ca -0.02 -1.85 -0.20 0.00 -0.26 0.00 0.00 58.87 56.54 1gqo n SER 90 Cb 0.37 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.11 1gqo n SER 90 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1gqo s ILE 91 N -1.79 1.83 -1.49 -1.33 -4.36 -1.14 -5.06 121.20 107.85 1gqo s ILE 91 Ca 0.19 -2.17 0.23 0.00 -0.26 0.00 0.00 60.65 58.64 1gqo s ILE 91 Cb 0.10 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 1gqo s ILE 91 CO 0.14 -0.52 1.15 -1.54 0.24 0.00 0.00 174.94 174.41 1gqo n SER 92 N -0.27 1.30 -4.82 4.36 3.41 -1.26 -4.97 113.62 111.38 1gqo n SER 92 Ca -0.09 -1.06 -0.33 0.00 -0.26 0.00 0.00 58.87 57.14 1gqo n SER 92 Cb 0.60 0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 65.10 1gqo n SER 92 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gqo s LEU 93 N -2.73 3.61 0.13 1.04 1.43 -1.26 -5.01 118.68 115.88 1gqo s LEU 93 Ca 0.15 1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 54.68 1gqo s LEU 93 Cb 0.17 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.80 1gqo s LEU 93 CO 0.68 -0.88 1.20 -2.16 0.23 0.00 0.00 176.35 175.42 1gqo s PRO 94 N -3.93 4.47 0.00 1.29 0.04 -1.26 -4.91 135.00 130.71 1gqo s PRO 94 Ca 0.62 1.82 0.08 0.00 0.04 0.00 0.00 61.00 63.56 1gqo s PRO 94 Cb -0.14 -3.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1gqo s PRO 94 CO 0.32 -0.16 -0.24 0.08 0.04 0.00 0.00 177.00 177.03 1gqo s VAL 95 N 0.47 1.92 -0.10 -0.36 1.01 -1.26 -1.61 120.40 120.47 1gqo s VAL 95 Ca 0.56 -1.13 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1gqo s VAL 95 Cb -0.31 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1gqo s VAL 95 CO 0.33 0.46 -0.18 -0.69 0.00 0.00 0.00 175.10 175.01 1gqo s VAL 96 N -0.65 1.69 -0.08 2.92 1.01 -0.73 -1.86 120.40 122.71 1gqo s VAL 96 Ca 0.10 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 1gqo s VAL 96 Cb -0.09 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1gqo s VAL 96 CO 0.00 0.48 0.55 -0.70 0.00 0.00 0.00 175.10 175.43 1gqo s GLU 97 N 0.72 4.35 -0.05 2.72 2.12 -0.76 -0.81 118.70 126.99 1gqo s GLU 97 Ca -0.12 0.61 0.03 0.00 0.36 0.00 0.00 54.97 55.85 1gqo s GLU 97 Cb -0.16 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1gqo s GLU 97 CO 0.02 0.19 -0.12 0.08 -0.54 0.00 0.00 175.26 174.89 1gqo s VAL 98 N 0.46 1.10 -0.02 3.70 1.01 0.16 0.05 120.40 126.86 1gqo s VAL 98 Ca 0.30 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1gqo s VAL 98 Cb -0.16 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1gqo s VAL 98 CO 0.14 0.34 -0.17 -1.00 0.00 0.00 0.00 175.10 174.41 1gqo s HIS 99 N 0.39 1.55 -0.06 5.22 3.76 -0.52 -4.22 115.29 121.41 1gqo s HIS 99 Ca -0.09 -0.35 -0.26 0.00 -0.15 0.00 0.00 55.06 54.22 1gqo s HIS 99 Cb -0.13 -1.02 -0.23 0.00 1.11 0.00 0.00 32.58 32.32 1gqo s HIS 99 CO 0.02 -0.08 1.05 -0.07 -0.85 0.00 0.00 174.74 174.82 1gqo h LEU 100 N 5.94 0.13-10.48 0.89 4.07 -1.87 -2.76 115.31 111.22 1gqo h LEU 100 Ca -0.35 -0.74 -0.47 0.00 0.08 0.00 0.00 57.88 56.40 1gqo h LEU 100 Cb 1.16 -0.04 0.07 0.00 1.08 0.00 0.00 40.66 42.93 1gqo h LEU 100 CO 0.48 0.84 0.22 -0.94 -1.08 0.00 0.00 178.44 177.97 1gqo s SER 101 N -6.13 5.32 -0.83 -0.43 1.04 -1.26 -1.31 113.70 110.10 1gqo s SER 101 Ca -0.16 0.68 -0.26 0.00 0.48 0.00 0.00 55.95 56.69 1gqo s SER 101 Cb 0.00 -1.54 0.04 0.00 0.10 0.00 0.00 66.02 64.62 1gqo s SER 101 CO 0.71 -1.27 1.33 0.21 0.98 0.00 0.00 173.24 175.20 1gqo s ASN 102 N -4.38 6.27 0.23 7.02 3.84 -1.26 -2.18 114.94 124.48 1gqo s ASN 102 Ca 0.56 -0.77 -0.08 0.00 0.21 0.00 0.00 52.86 52.79 1gqo s ASN 102 Cb -0.11 -2.56 0.24 0.00 -0.55 0.00 0.00 41.25 38.27 1gqo s ASN 102 CO 0.46 -1.73 1.88 -0.07 -2.79 0.00 0.00 177.10 174.85 1gqo h LEU 103 N 12.95 0.92 -2.23 3.21 3.38 -1.91 -1.66 115.31 129.97 1gqo h LEU 103 Ca -0.13 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1gqo h LEU 103 Cb 1.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1gqo h LEU 103 CO 1.33 0.64 0.18 1.88 0.09 0.00 0.00 178.44 182.56 1gqo h TYR 104 N 1.08 0.00 -0.01 1.13 0.99 -1.89 0.54 116.97 118.80 1gqo h TYR 104 Ca 0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.06 1gqo h TYR 104 Cb -0.03 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.70 1gqo h TYR 104 CO -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 178.16 178.14 1gqo n ALA 105 N -2.35 2.59 -2.61 3.88 0.00 -0.62 -4.94 120.51 116.46 1gqo n ALA 105 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1gqo n ALA 105 Cb 0.30 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1gqo n ALA 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1gqo n ARG 106 N 0.03 3.37 -1.44 0.00 1.74 0.19 -5.06 116.66 115.49 1gqo n ARG 106 Ca 0.19 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.91 1gqo n ARG 106 Cb 0.33 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.83 1gqo n ARG 106 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gqo n GLU 107 N -0.04 0.56 -0.01 5.56 4.71 -1.26 -4.86 120.64 125.30 1gqo n GLU 107 Ca 0.00 0.23 0.08 0.00 -0.01 0.00 0.00 57.16 57.46 1gqo n GLU 107 Cb 0.00 -1.97 0.48 0.00 -1.01 0.00 0.00 31.44 28.93 1gqo n GLU 107 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1gqo h GLU 108 N 0.04 0.43 0.00 3.49 4.81 -1.95 -1.51 114.58 119.90 1gqo h GLU 108 Ca -0.47 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1gqo h GLU 108 Cb 1.36 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1gqo h GLU 108 CO 0.47 0.29 -0.07 0.27 -0.73 0.00 0.00 179.01 179.23 1gqo h PHE 109 N 0.45 0.00 -0.03 0.92 -5.15 -1.97 -1.77 116.94 109.39 1gqo h PHE 109 Ca 0.19 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.96 1gqo h PHE 109 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.36 1gqo h PHE 109 CO -0.00 0.07 0.00 0.54 -2.00 0.00 0.00 178.31 176.92 1gqo n ARG 110 N -3.23 1.20 -0.11 6.09 1.74 -0.57 -3.90 116.66 117.89 1gqo n ARG 110 Ca -0.00 -0.30 0.06 0.00 -0.77 0.00 0.00 57.85 56.84 1gqo n ARG 110 Cb 0.32 -1.39 0.22 0.00 -1.02 0.00 0.00 32.46 30.58 1gqo n ARG 110 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1gqo n HIS 111 N -0.55 0.30 -4.12 -1.55 8.25 -0.67 -4.65 115.22 112.24 1gqo n HIS 111 Ca 0.18 -0.15 -0.15 0.00 -0.26 0.00 0.00 57.72 57.33 1gqo n HIS 111 Cb 0.16 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.12 1gqo n HIS 111 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1gqo s GLN 112 N -1.70 0.38 -0.19 -0.41 0.00 -1.25 -4.99 119.66 111.49 1gqo s GLN 112 Ca 0.23 -0.15 -0.05 0.00 -0.00 0.00 0.00 55.36 55.38 1gqo s GLN 112 Cb 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 33.01 32.73 1gqo s GLN 112 CO 0.17 0.09 -0.01 0.45 0.00 0.00 0.00 175.29 175.99 1gqo s SER 113 N -0.05 4.81 0.00 12.60 0.15 -1.26 -4.14 113.70 125.81 1gqo s SER 113 Ca 0.01 -0.20 0.24 0.00 0.70 0.00 0.00 55.95 56.70 1gqo s SER 113 Cb -0.02 -1.82 1.05 0.00 -1.71 0.00 0.00 66.02 63.52 1gqo s SER 113 CO -0.00 0.08 1.76 1.33 1.20 0.00 0.00 173.24 177.61 1gqo n VAL 114 N 4.16 0.35 -0.04 4.45 0.24 0.07 -3.75 118.33 123.81 1gqo n VAL 114 Ca -0.17 0.09 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 1gqo n VAL 114 Cb 0.52 -0.69 -0.15 0.00 -1.47 0.00 0.00 33.84 32.06 1gqo n VAL 114 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1gqo n ILE 115 N -1.45 1.56 0.02 1.34 5.41 -1.26 -4.42 119.36 120.56 1gqo n ILE 115 Ca 0.07 -0.80 0.07 0.00 1.00 0.00 0.00 62.75 63.09 1gqo n ILE 115 Cb 0.25 -0.93 0.49 0.00 -0.71 0.00 0.00 39.64 38.74 1gqo n ILE 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1gqo h ALA 116 N 0.93 1.87 -0.91 -1.39 0.00 -1.91 -2.01 119.26 115.83 1gqo h ALA 116 Ca -0.37 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 54.67 1gqo h ALA 116 Cb 2.07 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 1gqo h ALA 116 CO 0.06 0.08 0.59 -1.35 0.00 0.00 0.00 179.25 178.63 1gqo h PRO 117 N 0.40 0.69 -0.02 0.00 0.11 -1.79 -2.02 132.00 129.37 1gqo h PRO 117 Ca 0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1gqo h PRO 117 Cb 0.15 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1gqo h PRO 117 CO -0.04 0.46 -0.12 1.33 -0.21 0.00 0.00 178.00 179.42 1gqo n VAL 118 N -4.58 0.00 -2.61 3.15 0.24 -0.77 -4.96 118.33 108.81 1gqo n VAL 118 Ca 0.18 -0.44 -0.23 0.00 -2.04 0.00 0.00 64.34 61.81 1gqo n VAL 118 Cb 0.48 1.39 0.10 0.00 -1.47 0.00 0.00 33.84 34.33 1gqo n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gqo s ALA 119 N -1.91 3.76 0.06 2.33 0.00 -0.76 -4.71 121.76 120.54 1gqo s ALA 119 Ca 0.22 -1.69 -0.21 0.00 0.00 0.00 0.00 51.96 50.29 1gqo s ALA 119 Cb 0.17 -2.00 -0.12 0.00 0.00 0.00 0.00 23.12 21.17 1gqo s ALA 119 CO 0.33 -1.34 1.49 0.87 0.00 0.00 0.00 175.76 177.11 1gqo h LYS 120 N -0.42 0.26 0.00 0.00 1.79 -1.64 -3.49 116.57 113.07 1gqo h LYS 120 Ca -0.37 -0.08 0.11 0.00 -2.18 0.00 0.00 60.65 58.13 1gqo h LYS 120 Cb 1.27 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 1gqo h LYS 120 CO 0.42 0.48 0.28 0.41 -1.08 0.00 0.00 179.45 179.97 1gqo n GLY 121 N -0.31 0.33 3.03 3.86 0.00 -1.25 -5.07 105.19 105.79 1gqo n GLY 121 Ca -0.05 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1gqo n GLY 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gqo s GLN 122 N -2.00 0.33 -0.12 1.61 0.74 -1.26 -1.83 119.66 117.13 1gqo s GLN 122 Ca 0.09 -0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.22 1gqo s GLN 122 Cb -0.00 0.13 0.01 0.00 1.10 0.00 0.00 33.01 34.26 1gqo s GLN 122 CO -0.01 -0.07 -0.17 0.42 -0.55 0.00 0.00 175.29 174.91 1gqo s ILE 123 N -0.98 1.70 -0.02 -2.34 1.01 0.11 -4.96 121.20 115.72 1gqo s ILE 123 Ca -0.11 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1gqo s ILE 123 Cb -0.06 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.87 1gqo s ILE 123 CO 0.00 0.48 -0.07 -0.69 0.00 0.00 0.00 174.94 174.67 1gqo s VAL 124 N 0.99 0.58 0.00 2.92 1.01 -1.26 -1.44 120.40 123.20 1gqo s VAL 124 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1gqo s VAL 124 Cb -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1gqo s VAL 124 CO -0.03 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1gqo n GLY 125 N 3.31 0.82 1.64 4.51 0.00 -0.93 -4.84 105.19 109.71 1gqo n GLY 125 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.93 1gqo n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gqo n LEU 126 N 0.00 5.01 0.00 0.99 4.77 -1.21 -4.55 117.00 122.01 1gqo n LEU 126 Ca 0.00 -2.61 0.00 0.00 -0.03 0.00 0.00 56.01 53.37 1gqo n LEU 126 Cb 0.00 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 1gqo n LEU 126 CO 0.00 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1gqo n GLY 127 N 0.91 -0.70 0.30 -0.72 0.00 -0.43 -3.60 105.19 100.95 1gqo n GLY 127 Ca 0.26 -1.14 0.18 0.00 0.00 0.00 0.00 46.02 45.32 1gqo n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqo h ALA 128 N -0.39 1.15 -0.30 4.61 0.00 -1.94 0.27 119.26 122.66 1gqo h ALA 128 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1gqo h ALA 128 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1gqo h ALA 128 CO 0.00 0.04 0.21 1.49 0.00 0.00 0.00 179.25 180.99 1gqo h GLU 129 N 0.00 0.07 -0.91 0.00 4.57 -1.98 -1.84 114.58 114.49 1gqo h GLU 129 Ca -0.00 -0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.31 1gqo h GLU 129 Cb 0.19 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.69 1gqo h GLU 129 CO 0.00 0.04 0.58 0.78 -1.18 0.00 0.00 179.01 179.24 1gqo h GLY 130 N 0.07 1.29 1.20 1.92 0.00 -1.00 -0.37 103.07 106.17 1gqo h GLY 130 Ca 0.14 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1gqo h GLY 130 CO -0.01 0.10 0.13 -0.97 0.00 0.00 0.00 176.54 175.79 1gqo h TYR 131 N 0.75 1.04 -0.16 5.60 -1.99 -1.55 -0.94 116.97 119.72 1gqo h TYR 131 Ca 0.46 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 61.02 1gqo h TYR 131 Cb 0.67 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 1gqo h TYR 131 CO -0.00 0.87 -0.08 0.87 -0.00 0.00 0.00 178.16 179.82 1gqo h LYS 132 N 0.95 0.34 -0.75 4.88 1.57 -1.22 -1.08 116.57 121.25 1gqo h LYS 132 Ca 0.20 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1gqo h LYS 132 Cb 0.36 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1gqo h LYS 132 CO 0.00 0.65 0.48 -0.07 -0.57 0.00 0.00 179.45 179.95 1gqo h LEU 133 N 0.01 0.79 -0.55 2.94 3.38 -1.11 -0.15 115.31 120.63 1gqo h LEU 133 Ca 0.04 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1gqo h LEU 133 Cb 0.55 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1gqo h LEU 133 CO 0.02 0.55 0.13 0.00 0.09 0.00 0.00 178.44 179.24 1gqo h ALA 134 N 1.31 0.73 -0.38 1.53 0.00 -1.03 -0.79 119.26 120.63 1gqo h ALA 134 Ca 0.30 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1gqo h ALA 134 Cb -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1gqo h ALA 134 CO -0.10 0.43 0.21 0.28 0.00 0.00 0.00 179.25 180.07 1gqo h VAL 135 N 0.79 1.01 -0.96 0.00 2.07 -0.61 0.02 116.25 118.57 1gqo h VAL 135 Ca 0.17 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1gqo h VAL 135 Cb 0.35 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 1gqo h VAL 135 CO 0.00 0.08 0.62 0.03 0.02 0.00 0.00 177.57 178.32 1gqo h ARG 136 N 0.42 1.14 -0.39 1.57 3.08 -0.63 -1.27 114.38 118.30 1gqo h ARG 136 Ca 0.15 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1gqo h ARG 136 Cb 0.03 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 1gqo h ARG 136 CO -0.09 0.76 0.04 -0.92 -1.07 0.00 0.00 179.97 178.69 1gqo h TYR 137 N 1.18 0.71 -0.61 3.04 3.20 -0.61 -1.57 116.97 122.31 1gqo h TYR 137 Ca 0.40 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1gqo h TYR 137 Cb 0.06 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1gqo h TYR 137 CO -0.01 0.72 0.40 -0.07 -1.64 0.00 0.00 178.16 177.56 1gqo h LEU 138 N 0.50 0.71 -0.50 2.82 4.07 0.10 -1.93 115.31 121.07 1gqo h LEU 138 Ca 0.11 -0.02 -0.16 0.00 0.08 0.00 0.00 57.88 57.89 1gqo h LEU 138 Cb 0.41 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1gqo h LEU 138 CO 0.01 0.52 -0.58 -0.07 -1.08 0.00 0.00 178.44 177.24 1gqo h LEU 139 N 0.83 0.58 -2.04 1.67 3.38 -1.15 -2.41 115.31 116.18 1gqo h LEU 139 Ca 0.22 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1gqo h LEU 139 Cb -0.09 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1gqo h LEU 139 CO -0.05 1.04 -0.07 0.77 0.09 0.00 0.00 178.44 180.22 1gqo h SER 140 N 0.39 0.00 0.00 -0.43 4.64 -0.54 -3.51 113.55 114.10 1gqo h SER 140 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gqo h SER 140 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1gqo h SER 140 CO 0.11 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.14