#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 1.50 0.10 0.54 2.46 -1.26 -2.74 115.29 115.89 1gqo s HIS 2 Ca 0.00 -0.63 0.09 0.00 0.47 0.00 0.00 55.06 54.99 1gqo s HIS 2 Cb 0.00 -1.14 -0.04 0.00 -0.13 0.00 0.00 32.58 31.27 1gqo s HIS 2 CO 0.00 -0.37 -0.22 -0.06 -2.47 0.00 0.00 174.74 171.62 1gqo s PHE 3 N 1.01 2.43 -0.22 3.88 2.99 -0.11 0.05 117.98 128.01 1gqo s PHE 3 Ca -0.08 -0.32 -0.09 0.00 0.00 0.00 0.00 56.93 56.44 1gqo s PHE 3 Cb -0.15 -1.34 -0.04 0.00 0.00 0.00 0.00 43.02 41.49 1gqo s PHE 3 CO -0.01 0.31 0.10 -1.17 -0.00 0.00 0.00 175.22 174.45 1gqo s LEU 4 N -1.85 3.85 -0.44 -0.37 0.20 -0.83 -1.37 118.68 117.86 1gqo s LEU 4 Ca 0.15 0.02 -0.13 0.00 0.69 0.00 0.00 54.13 54.87 1gqo s LEU 4 Cb -0.10 -2.01 0.07 0.00 -0.43 0.00 0.00 46.19 43.71 1gqo s LEU 4 CO 0.07 0.08 0.32 -0.63 -0.29 0.00 0.00 176.35 175.90 1gqo s ILE 5 N 0.94 4.82 -0.25 6.68 -1.09 0.21 -1.08 121.20 131.42 1gqo s ILE 5 Ca 0.05 -1.14 -0.07 0.00 -2.23 0.00 0.00 60.65 57.26 1gqo s ILE 5 Cb -0.14 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 1gqo s ILE 5 CO 0.03 -0.51 0.07 -0.22 -1.23 0.00 0.00 174.94 173.08 1gqo s LEU 6 N 1.56 3.45 -0.12 2.97 0.20 0.10 -2.10 118.68 124.74 1gqo s LEU 6 Ca 0.03 -0.24 0.00 0.00 0.69 0.00 0.00 54.13 54.61 1gqo s LEU 6 Cb -0.23 -1.92 -0.02 0.00 -0.43 0.00 0.00 46.19 43.60 1gqo s LEU 6 CO 0.05 -0.04 -0.13 0.20 -0.29 0.00 0.00 176.35 176.14 1gqo s ASN 7 N 1.60 4.01 0.72 3.68 0.01 -0.07 -1.05 114.94 123.84 1gqo s ASN 7 Ca 0.06 -0.31 -0.01 0.00 -0.71 0.00 0.00 52.86 51.89 1gqo s ASN 7 Cb -0.15 -1.53 0.01 0.00 0.41 0.00 0.00 41.25 40.00 1gqo s ASN 7 CO 0.03 0.19 0.08 0.61 -1.51 0.00 0.00 177.10 176.50 1gqo n GLY 8 N 3.38 -0.25 3.72 0.66 0.00 0.16 -1.42 105.19 111.44 1gqo n GLY 8 Ca -0.18 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1gqo n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gqo n PRO 9 N -1.17 2.27 0.00 1.61 -0.04 -0.93 -2.43 135.00 134.31 1gqo n PRO 9 Ca 0.01 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1gqo n PRO 9 Cb 0.04 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 1gqo n PRO 9 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1gqo n ASN 10 N 0.65 0.00 0.27 3.54 3.02 -1.26 -4.51 115.26 116.97 1gqo n ASN 10 Ca 0.04 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.71 1gqo n ASN 10 Cb 0.37 -0.52 0.77 0.00 -0.61 0.00 0.00 39.78 39.79 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 0.65 0.00 2.41 2.07 -1.85 -0.93 116.25 118.59 1gqo h VAL 11 Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1gqo h VAL 11 Cb 0.00 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1gqo h VAL 11 CO 0.00 0.07 0.00 -0.46 0.02 0.00 0.00 177.57 177.20 1gqo n ASN 12 N -3.87 0.10 -0.40 0.57 6.94 -1.26 -2.74 115.26 114.60 1gqo n ASN 12 Ca -0.02 0.53 0.12 0.00 -0.02 0.00 0.00 54.58 55.19 1gqo n ASN 12 Cb 0.17 -0.55 0.25 0.00 -2.36 0.00 0.00 39.78 37.29 1gqo n ASN 12 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1gqo n ARG 13 N -1.61 1.16 -1.51 -3.83 5.12 -0.35 -4.73 116.66 110.90 1gqo n ARG 13 Ca 0.03 -0.81 -0.33 0.00 -1.93 0.00 0.00 57.85 54.81 1gqo n ARG 13 Cb 0.15 -1.48 -0.16 0.00 -1.16 0.00 0.00 32.46 29.81 1gqo n ARG 13 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1gqo n LEU 14 N -0.21 -0.04 0.00 0.55 7.94 -1.11 -2.08 117.00 122.05 1gqo n LEU 14 Ca 0.12 -0.23 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 1gqo n LEU 14 Cb 0.41 -0.89 0.00 0.00 0.53 0.00 0.00 43.42 43.46 1gqo n LEU 14 CO 0.25 -1.15 0.00 0.61 -1.11 0.00 0.00 177.39 175.99 1gqo n GLY 15 N 6.14 -0.55 0.00 -3.96 0.00 -1.26 -3.98 105.19 101.58 1gqo n GLY 15 Ca 0.63 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1gqo n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqo n SER 16 N 0.00 0.00 -4.08 1.61 3.41 -0.89 -4.46 113.62 109.21 1gqo n SER 16 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 1gqo n SER 16 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1gqo n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gqo s ARG 17 N -2.57 1.81 0.00 4.33 1.70 -1.26 -5.12 118.95 117.84 1gqo s ARG 17 Ca 0.00 -2.08 0.00 0.00 -0.47 0.00 0.00 55.73 53.18 1gqo s ARG 17 Cb 0.00 -0.47 0.00 0.00 -0.57 0.00 0.00 34.95 33.91 1gqo s ARG 17 CO 0.00 -0.45 0.00 -0.85 -1.08 0.00 0.00 175.30 172.92 1gqo n GLU 18 N -0.79 0.00 0.06 3.89 0.28 -1.26 -4.94 120.64 117.88 1gqo n GLU 18 Ca -0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.85 1gqo n GLU 18 Cb 0.65 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.50 1gqo n GLU 18 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1gqo h PRO 19 N 0.00 0.38 -0.86 3.44 0.13 -1.91 -3.03 132.00 130.15 1gqo h PRO 19 Ca 0.00 -0.38 0.22 0.00 -0.87 0.00 0.00 66.00 64.98 1gqo h PRO 19 Cb 0.00 0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.18 1gqo h PRO 19 CO 0.00 1.04 0.59 0.93 -0.23 0.00 0.00 178.00 180.34 1gqo h GLU 20 N 0.23 0.17 0.01 0.86 3.07 -1.92 2.47 114.58 119.46 1gqo h GLU 20 Ca -0.06 -0.01 -0.37 0.00 -0.50 0.00 0.00 59.36 58.42 1gqo h GLU 20 Cb 1.48 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 29.28 1gqo h GLU 20 CO 0.15 0.11 -2.38 0.28 -1.40 0.00 0.00 179.01 175.77 1gqo n VAL 21 N -4.39 1.46 0.41 3.13 0.31 -1.24 -4.73 118.33 113.29 1gqo n VAL 21 Ca 0.18 -0.72 0.06 0.00 -0.01 0.00 0.00 64.34 63.84 1gqo n VAL 21 Cb 0.81 -0.96 -0.07 0.00 -0.91 0.00 0.00 33.84 32.70 1gqo n VAL 21 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1gqo n PHE 22 N -3.02 0.00 0.00 3.52 3.01 -0.88 -4.20 117.46 115.89 1gqo n PHE 22 Ca -0.38 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.08 1gqo n PHE 22 Cb 1.08 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 40.48 1gqo n PHE 22 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gqo n GLY 23 N 1.41 0.64 0.06 1.37 0.00 0.83 -4.81 105.19 104.70 1gqo n GLY 23 Ca 0.01 -1.81 0.11 0.00 0.00 0.00 0.00 46.02 44.33 1gqo n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gqo n ARG 24 N 0.79 0.50 0.00 1.61 5.12 -1.26 -4.33 116.66 119.09 1gqo n ARG 24 Ca 0.00 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1gqo n ARG 24 Cb 0.00 -1.68 0.00 0.00 -1.16 0.00 0.00 32.46 29.62 1gqo n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gqo n GLN 25 N -2.33 0.42 -4.30 5.56 10.64 -1.26 -4.88 117.38 121.23 1gqo n GLN 25 Ca -0.00 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.01 1gqo n GLN 25 Cb 0.51 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.79 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 -0.21 0.59 0.33 -0.39 -4.23 -1.26 -4.12 115.64 106.34 1gqo s THR 26 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1gqo s THR 26 Cb 0.00 -2.54 0.14 0.00 1.34 0.00 0.00 72.50 71.45 1gqo s THR 26 CO 0.00 -0.10 1.85 0.25 -0.54 0.00 0.00 174.62 176.09 1gqo h LEU 27 N 2.44 0.50 -0.77 4.79 5.85 -1.84 -1.65 115.31 124.63 1gqo h LEU 27 Ca -0.38 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 1gqo h LEU 27 Cb 1.24 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1gqo h LEU 27 CO 0.61 0.59 0.26 0.74 -0.34 0.00 0.00 178.44 180.30 1gqo h THR 28 N 0.50 1.26 -0.08 1.05 2.02 -1.95 -0.36 112.91 115.35 1gqo h THR 28 Ca 0.10 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1gqo h THR 28 Cb 0.38 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1gqo h THR 28 CO 0.02 0.36 0.05 0.44 0.37 0.00 0.00 175.52 176.76 1gqo h ASP 29 N 1.14 0.09 -0.64 4.18 3.32 -1.73 -0.76 116.42 122.01 1gqo h ASP 29 Ca 0.25 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.31 1gqo h ASP 29 Cb 0.28 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1gqo h ASP 29 CO -0.01 0.07 0.41 0.40 -1.72 0.00 0.00 179.24 178.39 1gqo h ILE 30 N 0.11 1.12 -0.56 0.35 2.04 -0.56 -1.08 117.51 118.92 1gqo h ILE 30 Ca 0.03 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.63 1gqo h ILE 30 Cb -0.01 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 1gqo h ILE 30 CO -0.01 0.15 0.35 -0.08 0.00 0.00 0.00 178.15 178.56 1gqo h GLU 31 N 0.83 0.67 -0.09 2.37 4.81 -0.38 -1.00 114.58 121.79 1gqo h GLU 31 Ca 0.25 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1gqo h GLU 31 Cb -0.04 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1gqo h GLU 31 CO -0.08 0.45 -0.11 1.15 -0.73 0.00 0.00 179.01 179.69 1gqo h THR 32 N 0.70 0.69 -0.79 0.32 2.02 -0.29 -1.99 112.91 113.56 1gqo h THR 32 Ca 0.22 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.40 1gqo h THR 32 Cb -0.00 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1gqo h THR 32 CO -0.09 0.00 0.48 0.44 0.37 0.00 0.00 175.52 176.72 1gqo h ASP 33 N -0.15 0.95 0.78 4.18 3.32 -0.94 -2.30 116.42 122.26 1gqo h ASP 33 Ca 0.07 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1gqo h ASP 33 Cb 0.25 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1gqo h ASP 33 CO -0.18 0.73 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.87 1gqo h LEU 34 N 1.09 0.00 0.00 1.55 3.38 -0.46 -3.19 115.31 117.68 1gqo h LEU 34 Ca 0.29 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 1gqo h LEU 34 Cb -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1gqo h LEU 34 CO -0.05 0.13 -0.58 -0.26 0.09 0.00 0.00 178.44 177.77 1gqo h PHE 35 N 0.00 0.00 -0.52 1.13 0.05 -0.92 -3.14 116.94 113.55 1gqo h PHE 35 Ca -0.00 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.73 1gqo h PHE 35 Cb 0.56 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.49 1gqo h PHE 35 CO 0.00 0.56 0.08 1.96 -0.18 0.00 0.00 178.31 180.73 1gqo h GLN 36 N 0.00 0.86 -0.72 1.51 4.20 -1.58 -2.65 115.11 116.73 1gqo h GLN 36 Ca -0.01 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.48 1gqo h GLN 36 Cb 1.43 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 1gqo h GLN 36 CO 0.07 0.84 0.47 0.35 -0.67 0.00 0.00 178.83 179.90 1gqo h PHE 37 N 0.74 0.89 0.00 2.96 -0.00 -1.66 -3.01 116.94 116.87 1gqo h PHE 37 Ca 0.16 0.02 -0.14 0.00 -0.00 0.00 0.00 57.97 58.01 1gqo h PHE 37 Cb 0.40 -0.30 -0.02 0.00 -0.00 0.00 0.00 35.95 36.03 1gqo h PHE 37 CO 0.03 0.55 -0.65 0.00 -0.00 0.00 0.00 178.31 178.23 1gqo h ALA 38 N 1.28 0.81 -0.06 2.41 0.00 -1.48 -3.24 119.26 118.98 1gqo h ALA 38 Ca 0.27 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1gqo h ALA 38 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1gqo h ALA 38 CO -0.07 0.81 -0.63 1.49 0.00 0.00 0.00 179.25 180.86 1gqo h GLU 39 N 0.00 0.23 -0.80 0.00 4.22 -1.33 0.46 114.58 117.36 1gqo h GLU 39 Ca -0.01 -0.16 -0.03 0.00 0.08 0.00 0.00 59.36 59.24 1gqo h GLU 39 Cb 1.23 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1gqo h GLU 39 CO 0.08 0.78 0.36 0.00 -2.18 0.00 0.00 179.01 178.06 1gqo h ALA 40 N 1.18 1.14 -0.44 2.92 0.00 -1.59 -3.00 119.26 119.46 1gqo h ALA 40 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1gqo h ALA 40 Cb 1.14 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1gqo h ALA 40 CO 0.10 0.64 0.00 1.47 0.00 0.00 0.00 179.25 181.46 1gqo n LEU 41 N -4.30 2.44 -2.20 0.00 -0.00 -1.00 -4.85 117.00 107.09 1gqo n LEU 41 Ca 0.08 -1.21 -0.15 0.00 -0.00 0.00 0.00 56.01 54.73 1gqo n LEU 41 Cb 0.15 -0.29 0.03 0.00 -0.00 0.00 0.00 43.42 43.31 1gqo n LEU 41 CO 0.40 0.60 0.03 1.41 -0.00 0.00 0.00 177.39 179.83 1gqo n HIS 42 N 0.83 -1.44 -5.08 1.47 8.25 -1.02 -4.98 115.22 113.25 1gqo n HIS 42 Ca 0.16 0.41 -0.32 0.00 -0.26 0.00 0.00 57.72 57.70 1gqo n HIS 42 Cb 0.39 -3.45 -0.16 0.00 1.12 0.00 0.00 29.99 27.89 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 -3.01 2.37 -0.05 1.59 -4.36 0.16 -4.29 121.20 113.61 1gqo s ILE 43 Ca 0.24 -0.91 -0.05 0.00 -0.26 0.00 0.00 60.65 59.67 1gqo s ILE 43 Cb -0.10 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 1gqo s ILE 43 CO 0.29 0.55 0.18 -1.10 0.24 0.00 0.00 174.94 175.10 1gqo s GLN 44 N 0.32 3.46 -0.00 0.37 -0.21 -1.11 -3.94 119.66 118.55 1gqo s GLN 44 Ca -0.16 -0.21 0.05 0.00 0.02 0.00 0.00 55.36 55.07 1gqo s GLN 44 Cb -0.17 -3.13 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 1gqo s GLN 44 CO 0.08 0.71 -0.17 -0.51 -2.12 0.00 0.00 175.29 173.28 1gqo s LEU 45 N -1.55 2.05 -0.06 2.90 1.43 -1.26 -0.94 118.68 121.26 1gqo s LEU 45 Ca 0.22 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.04 1gqo s LEU 45 Cb -0.12 -0.87 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 1gqo s LEU 45 CO 0.13 0.19 -0.23 -0.89 0.23 0.00 0.00 176.35 175.78 1gqo s THR 46 N -0.46 1.89 -0.10 5.49 2.01 -0.47 -4.96 115.64 119.03 1gqo s THR 46 Ca 0.06 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 1gqo s THR 46 Cb -0.07 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1gqo s THR 46 CO -0.00 0.53 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.08 1gqo s PHE 47 N -0.04 3.10 -0.12 4.92 0.40 -1.26 -0.62 117.98 124.36 1gqo s PHE 47 Ca -0.06 0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.27 1gqo s PHE 47 Cb -0.14 -1.82 0.04 0.00 0.51 0.00 0.00 43.02 41.62 1gqo s PHE 47 CO 0.04 0.35 0.29 0.12 0.70 0.00 0.00 175.22 176.72 1gqo s PHE 48 N -0.60 -0.37 0.00 0.36 5.36 -0.89 -4.97 117.98 116.87 1gqo s PHE 48 Ca 0.10 0.86 0.03 0.00 -0.96 0.00 0.00 56.93 56.96 1gqo s PHE 48 Cb -0.12 0.11 -0.01 0.00 -0.34 0.00 0.00 43.02 42.66 1gqo s PHE 48 CO 0.02 -0.22 -0.11 -1.14 -1.46 0.00 0.00 175.22 172.32 1gqo s GLN 49 N 0.82 0.82 -0.08 10.12 -0.44 -1.26 -0.90 119.66 128.75 1gqo s GLN 49 Ca -0.05 -0.43 -0.19 0.00 -2.50 0.00 0.00 55.36 52.18 1gqo s GLN 49 Cb -0.07 -0.79 0.04 0.00 -1.64 0.00 0.00 33.01 30.56 1gqo s GLN 49 CO -0.06 0.21 0.44 0.45 0.50 0.00 0.00 175.29 176.84 1gqo s SER 50 N -0.43 -0.40 0.00 6.67 0.15 -0.51 -4.99 113.70 114.20 1gqo s SER 50 Ca 0.03 0.53 0.29 0.00 0.70 0.00 0.00 55.95 57.50 1gqo s SER 50 Cb -0.05 0.59 1.36 0.00 -1.71 0.00 0.00 66.02 66.21 1gqo s SER 50 CO -0.00 -0.38 1.97 0.59 1.20 0.00 0.00 173.24 176.62 1gqo n ASN 51 N 1.77 0.00 -4.60 5.45 3.02 -1.26 -2.18 115.26 117.45 1gqo n ASN 51 Ca -0.18 0.15 -0.36 0.00 -0.03 0.00 0.00 54.58 54.16 1gqo n ASN 51 Cb 0.56 -0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 39.25 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 -2.76 3.23 0.20 3.10 3.76 -1.26 -4.57 115.29 116.99 1gqo s HIS 52 Ca 0.21 0.02 -0.12 0.00 -0.15 0.00 0.00 55.06 55.03 1gqo s HIS 52 Cb 0.19 -2.20 0.25 0.00 1.11 0.00 0.00 32.58 31.93 1gqo s HIS 52 CO 0.48 -0.01 1.69 1.49 -0.85 0.00 0.00 174.74 177.53 1gqo h GLU 53 N 7.44 0.18 -0.19 1.40 4.81 -2.01 -2.17 114.58 124.04 1gqo h GLU 53 Ca -0.37 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.86 1gqo h GLU 53 Cb 1.17 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1gqo h GLU 53 CO 0.65 0.12 0.13 0.78 -0.73 0.00 0.00 179.01 179.95 1gqo h GLY 54 N 0.18 0.21 1.51 1.92 0.00 -1.99 -1.75 103.07 103.16 1gqo h GLY 54 Ca 0.29 -0.07 -0.18 0.00 0.00 0.00 0.00 47.33 47.37 1gqo h GLY 54 CO -0.42 0.07 -0.66 -0.55 0.00 0.00 0.00 176.54 174.98 1gqo h ASP 55 N 0.19 0.57 -0.14 0.19 3.32 -1.81 0.45 116.42 119.18 1gqo h ASP 55 Ca 0.08 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 1gqo h ASP 55 Cb 0.08 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1gqo h ASP 55 CO -0.01 1.07 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.44 1gqo h LEU 56 N 0.35 0.31 -0.26 1.55 3.38 -1.20 0.12 115.31 119.57 1gqo h LEU 56 Ca -0.02 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.61 1gqo h LEU 56 Cb 1.22 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 1gqo h LEU 56 CO 0.12 0.65 -0.18 0.40 0.09 0.00 0.00 178.44 179.52 1gqo h ILE 57 N -0.03 0.50 -0.26 1.22 2.04 -1.38 -0.04 117.51 119.55 1gqo h ILE 57 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1gqo h ILE 57 Cb 0.53 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1gqo h ILE 57 CO 0.02 0.00 0.12 0.44 0.00 0.00 0.00 178.15 178.73 1gqo h ASP 58 N -0.17 0.17 -0.82 1.72 3.32 -0.64 -2.11 116.42 117.89 1gqo h ASP 58 Ca 0.14 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.28 1gqo h ASP 58 Cb 0.38 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 1gqo h ASP 58 CO -0.36 0.13 0.49 0.00 -1.72 0.00 0.00 179.24 177.79 1gqo h ALA 59 N 1.14 1.14 -0.34 3.45 0.00 -0.54 -1.71 119.26 122.40 1gqo h ALA 59 Ca 0.11 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1gqo h ALA 59 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1gqo h ALA 59 CO -0.08 0.19 0.05 0.82 0.00 0.00 0.00 179.25 180.22 1gqo h ILE 60 N 0.88 1.24 -0.96 0.00 2.04 -0.39 -0.88 117.51 119.43 1gqo h ILE 60 Ca 0.37 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1gqo h ILE 60 Cb 0.23 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1gqo h ILE 60 CO -0.20 0.28 0.60 0.45 0.00 0.00 0.00 178.15 179.29 1gqo h HIS 61 N 0.40 1.24 0.00 1.37 3.86 -1.13 -2.94 115.15 117.95 1gqo h HIS 61 Ca 0.10 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1gqo h HIS 61 Cb 0.37 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1gqo h HIS 61 CO 0.03 0.81 0.00 0.93 0.86 0.00 0.00 177.93 180.55 1gqo h GLU 62 N 1.31 0.00 -0.64 2.45 5.08 -1.09 -3.35 114.58 118.34 1gqo h GLU 62 Ca 0.35 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.68 1gqo h GLU 62 Cb -0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1gqo h GLU 62 CO -0.07 0.00 0.29 0.00 -1.00 0.00 0.00 179.01 178.23 1gqo h ALA 63 N 2.03 1.30 -1.09 3.43 0.00 -0.97 -3.19 119.26 120.77 1gqo h ALA 63 Ca 0.00 -0.14 0.30 0.00 0.00 0.00 0.00 54.91 55.06 1gqo h ALA 63 Cb 0.75 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1gqo h ALA 63 CO 0.00 0.53 0.72 1.49 0.00 0.00 0.00 179.25 182.00 1gqo h GLU 64 N 0.91 0.25 -0.57 0.00 4.57 -1.70 0.12 114.58 118.17 1gqo h GLU 64 Ca 0.22 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1gqo h GLU 64 Cb 0.13 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1gqo h GLU 64 CO -0.03 0.17 0.00 0.39 -1.18 0.00 0.00 179.01 178.36 1gqo n GLU 65 N -4.51 2.50 0.00 1.92 1.02 -1.20 -4.59 120.64 115.78 1gqo n GLU 65 Ca 0.26 -2.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.09 1gqo n GLU 65 Cb 1.01 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 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 1.41 0.37 -4.37 3.49 7.27 0.23 -5.12 117.38 120.66 1gqo n GLN 66 Ca 0.21 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 57.03 1gqo n GLN 66 Cb 0.57 -0.55 -0.09 0.00 2.41 0.00 0.00 30.24 32.58 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 -1.09 2.54 -1.24 3.69 1.51 -0.04 -4.81 117.35 117.92 1gqo s TYR 67 Ca 0.00 -0.54 0.11 0.00 -1.01 0.00 0.00 57.07 55.63 1gqo s TYR 67 Cb 0.00 -1.68 0.18 0.00 -0.11 0.00 0.00 41.96 40.35 1gqo s TYR 67 CO 0.00 0.40 1.03 -1.13 -1.11 0.00 0.00 175.55 174.74 1gqo n SER 68 N -1.02 2.37 -3.65 2.29 3.41 0.11 -4.73 113.62 112.40 1gqo n SER 68 Ca -0.04 -1.69 -0.02 0.00 -0.26 0.00 0.00 58.87 56.86 1gqo n SER 68 Cb 0.64 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.98 -0.11 0.07 5.00 0.00 -1.25 -4.43 107.32 105.61 1gqo s GLY 69 Ca 0.18 2.18 0.07 0.00 0.00 0.00 0.00 44.72 47.15 1gqo s GLY 69 CO 0.15 0.77 -0.18 -0.42 0.00 0.00 0.00 173.10 173.41 1gqo s ILE 70 N -1.76 1.48 -0.24 0.90 1.01 -0.85 -1.97 121.20 119.77 1gqo s ILE 70 Ca 0.11 -1.30 -0.02 0.00 0.00 0.00 0.00 60.65 59.45 1gqo s ILE 70 Cb -0.01 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.14 1gqo s ILE 70 CO -0.04 0.00 -0.07 -0.69 0.00 0.00 0.00 174.94 174.14 1gqo s VAL 71 N -1.01 2.85 -0.16 2.92 1.01 -0.24 -2.41 120.40 123.36 1gqo s VAL 71 Ca 0.04 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1gqo s VAL 71 Cb -0.09 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1gqo s VAL 71 CO 0.03 0.26 -0.18 -0.22 0.00 0.00 0.00 175.10 174.99 1gqo s LEU 72 N 1.34 2.32 -0.47 3.92 2.96 -0.17 0.00 118.68 128.58 1gqo s LEU 72 Ca 0.01 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1gqo s LEU 72 Cb -0.16 -1.52 0.12 0.00 0.50 0.00 0.00 46.19 45.14 1gqo s LEU 72 CO -0.05 0.06 0.22 0.21 -1.32 0.00 0.00 176.35 175.47 1gqo s ASN 73 N 0.92 4.58 0.00 3.68 3.84 -0.21 -0.59 114.94 127.16 1gqo s ASN 73 Ca -0.04 -2.71 0.28 0.00 0.21 0.00 0.00 52.86 50.60 1gqo s ASN 73 Cb -0.15 -1.67 1.62 0.00 -0.55 0.00 0.00 41.25 40.50 1gqo s ASN 73 CO -0.03 -0.30 2.01 -0.81 -2.79 0.00 0.00 177.10 175.18 1gqo n PRO 74 N 3.54 0.76 0.00 0.43 -0.04 -1.26 -0.67 135.00 137.76 1gqo n PRO 74 Ca 0.05 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1gqo n PRO 74 Cb 0.36 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.84 -0.48 0.00 0.55 0.00 -1.26 -3.29 105.19 101.55 1gqo n GLY 75 Ca 0.19 -1.11 0.01 0.00 0.00 0.00 0.00 46.02 45.12 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 2.25 1.08 0.27 4.61 0.00 -1.26 -2.13 120.51 125.33 1gqo n ALA 76 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1gqo n ALA 76 Cb 0.00 -1.03 0.76 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.03 0.00 3.38 -1.92 -1.19 115.31 114.55 1gqo h LEU 77 Ca 0.00 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.26 1gqo h LEU 77 Cb 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.64 1gqo h LEU 77 CO 0.00 0.07 0.59 -1.28 0.09 0.00 0.00 178.44 177.91 1gqo h SER 78 N 0.00 0.59 0.28 -0.43 0.87 -1.60 -0.11 113.55 113.14 1gqo h SER 78 Ca -0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1gqo h SER 78 Cb 0.17 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1gqo h SER 78 CO 0.01 -0.01 -0.13 1.41 -0.53 0.00 0.00 176.83 177.58 1gqo n HIS 79 N -4.95 0.00 -0.72 2.24 8.25 -0.45 -0.41 115.22 119.19 1gqo n HIS 79 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1gqo n HIS 79 Cb 0.87 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.84 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 -0.78 0.00 -2.63 4.41 0.18 -0.85 -4.73 117.16 112.76 1gqo n TYR 80 Ca 0.15 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.51 1gqo n TYR 80 Cb 0.29 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.23 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 6.56 0.52 9.48 0.15 -0.11 -4.76 113.70 125.53 1gqo s SER 81 Ca 0.00 -1.65 0.30 0.00 0.70 0.00 0.00 55.95 55.31 1gqo s SER 81 Cb 0.00 -2.54 1.24 0.00 -1.71 0.00 0.00 66.02 63.01 1gqo s SER 81 CO 0.00 -1.40 1.94 1.88 1.20 0.00 0.00 173.24 176.86 1gqo h TYR 82 N 9.43 0.00 -0.06 3.44 -1.99 -1.91 -2.24 116.97 123.63 1gqo h TYR 82 Ca 0.22 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.75 1gqo h TYR 82 Cb 1.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.73 1gqo h TYR 82 CO 1.27 0.08 -0.76 0.00 -0.00 0.00 0.00 178.16 178.74 1gqo h ALA 83 N 1.92 0.56 -0.16 3.88 0.00 -1.98 -1.39 119.26 122.09 1gqo h ALA 83 Ca -0.00 -0.63 -0.18 0.00 0.00 0.00 0.00 54.91 54.10 1gqo h ALA 83 Cb 0.57 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1gqo h ALA 83 CO 0.01 0.77 -0.65 0.82 0.00 0.00 0.00 179.25 180.20 1gqo h ILE 84 N 0.27 1.32 -0.13 0.00 2.04 -1.80 -2.22 117.51 116.99 1gqo h ILE 84 Ca -0.04 -1.93 0.03 0.00 1.00 0.00 0.00 64.86 63.92 1gqo h ILE 84 Cb 1.35 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 39.30 1gqo h ILE 84 CO 0.13 0.60 -0.06 -0.09 0.00 0.00 0.00 178.15 178.73 1gqo h ARG 85 N 0.44 -0.04 0.00 2.37 2.43 -1.11 -2.09 114.38 116.37 1gqo h ARG 85 Ca -0.02 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1gqo h ARG 85 Cb 1.23 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1gqo h ARG 85 CO 0.12 -0.03 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.90 1gqo h ASP 86 N -0.05 0.00 0.04 -3.80 5.19 -1.16 -2.00 116.42 114.65 1gqo h ASP 86 Ca 0.07 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1gqo h ASP 86 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1gqo h ASP 86 CO -0.16 0.21 -0.02 0.00 -3.12 0.00 0.00 179.24 176.15 1gqo h ALA 87 N 1.79 -0.06 -0.68 3.45 0.00 -0.76 -2.43 119.26 120.57 1gqo h ALA 87 Ca -0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1gqo h ALA 87 Cb 0.49 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1gqo h ALA 87 CO 0.03 -0.38 0.37 0.28 0.00 0.00 0.00 179.25 179.55 1gqo h VAL 88 N -0.37 0.95 0.00 0.00 2.07 -1.20 -1.78 116.25 115.93 1gqo h VAL 88 Ca -0.01 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1gqo h VAL 88 Cb 0.33 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1gqo h VAL 88 CO 0.01 0.12 -0.17 0.28 0.02 0.00 0.00 177.57 177.83 1gqo h SER 89 N 0.68 0.00 0.13 0.57 0.02 -1.29 -3.14 113.55 110.52 1gqo h SER 89 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1gqo h SER 89 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1gqo h SER 89 CO -0.19 0.17 -0.03 -1.54 -1.14 0.00 0.00 176.83 174.10 1gqo n SER 90 N -3.96 0.44 -4.52 3.07 3.41 -0.67 -4.89 113.62 106.50 1gqo n SER 90 Ca -0.02 -0.94 -0.27 0.00 -0.26 0.00 0.00 58.87 57.39 1gqo n SER 90 Cb 0.26 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 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 -2.16 2.92 -0.67 -1.33 -4.36 -1.19 -5.06 121.20 109.35 1gqo s ILE 91 Ca 0.40 -1.79 0.24 0.00 -0.26 0.00 0.00 60.65 59.23 1gqo s ILE 91 Cb 0.21 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.45 1gqo s ILE 91 CO 0.40 -0.12 1.18 -1.54 0.24 0.00 0.00 174.94 175.10 1gqo n SER 92 N 0.09 0.64 -4.76 4.36 3.41 -1.26 -4.94 113.62 111.15 1gqo n SER 92 Ca -0.11 -0.10 -0.34 0.00 -0.26 0.00 0.00 58.87 58.06 1gqo n SER 92 Cb 0.56 0.49 0.04 0.00 -0.26 0.00 0.00 64.21 65.04 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 -3.92 3.49 0.07 1.04 1.43 -1.26 -5.00 118.68 114.52 1gqo s LEU 93 Ca 0.06 2.14 -0.30 0.00 -1.03 0.00 0.00 54.13 55.00 1gqo s LEU 93 Cb 0.14 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 1gqo s LEU 93 CO 0.76 -1.64 1.10 -2.16 0.23 0.00 0.00 176.35 174.63 1gqo s PRO 94 N -3.79 4.52 -0.04 1.29 0.04 -1.26 -4.91 135.00 130.85 1gqo s PRO 94 Ca 0.71 1.63 0.04 0.00 0.04 0.00 0.00 61.00 63.42 1gqo s PRO 94 Cb -0.24 -3.37 -0.00 0.00 0.04 0.00 0.00 34.50 30.93 1gqo s PRO 94 CO 0.38 -0.09 -0.16 0.08 0.04 0.00 0.00 177.00 177.25 1gqo s VAL 95 N 0.69 1.32 -0.20 -0.36 1.01 -1.26 -2.01 120.40 119.58 1gqo s VAL 95 Ca 0.54 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1gqo s VAL 95 Cb -0.27 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1gqo s VAL 95 CO 0.30 0.38 -0.16 -0.69 0.00 0.00 0.00 175.10 174.93 1gqo s VAL 96 N 0.05 2.26 0.03 2.92 1.01 -1.01 -0.32 120.40 125.34 1gqo s VAL 96 Ca -0.03 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 1gqo s VAL 96 Cb -0.11 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 1gqo s VAL 96 CO 0.02 0.43 0.56 -0.70 0.00 0.00 0.00 175.10 175.40 1gqo s GLU 97 N 1.28 4.22 -0.01 2.72 2.12 -0.77 -1.00 118.70 127.27 1gqo s GLU 97 Ca 0.03 0.69 0.02 0.00 0.36 0.00 0.00 54.97 56.08 1gqo s GLU 97 Cb -0.14 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 1gqo s GLU 97 CO -0.10 0.54 -0.08 0.08 -0.54 0.00 0.00 175.26 175.16 1gqo s VAL 98 N -0.75 0.60 0.00 3.70 1.01 0.24 -1.51 120.40 123.69 1gqo s VAL 98 Ca 0.29 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1gqo s VAL 98 Cb -0.19 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1gqo s VAL 98 CO 0.18 0.17 -0.04 -1.00 0.00 0.00 0.00 175.10 174.40 1gqo s HIS 99 N -0.15 0.37 -0.09 5.22 3.76 -0.84 -4.11 115.29 119.44 1gqo s HIS 99 Ca 0.03 -0.13 -0.17 0.00 -0.15 0.00 0.00 55.06 54.63 1gqo s HIS 99 Cb -0.03 -0.24 -0.28 0.00 1.11 0.00 0.00 32.58 33.14 1gqo s HIS 99 CO -0.00 -0.02 0.63 -0.07 -0.85 0.00 0.00 174.74 174.43 1gqo h LEU 100 N 5.83 0.39-10.52 0.89 4.07 -1.86 -2.51 115.31 111.60 1gqo h LEU 100 Ca -0.28 -0.87 -0.47 0.00 0.08 0.00 0.00 57.88 56.34 1gqo h LEU 100 Cb 1.20 -0.13 0.07 0.00 1.08 0.00 0.00 40.66 42.89 1gqo h LEU 100 CO 0.49 1.56 0.28 -0.94 -1.08 0.00 0.00 178.44 178.75 1gqo s SER 101 N -7.01 5.14 -0.86 -0.43 1.04 -1.26 -1.78 113.70 108.54 1gqo s SER 101 Ca -0.19 0.73 -0.22 0.00 0.48 0.00 0.00 55.95 56.75 1gqo s SER 101 Cb 0.04 -1.49 0.07 0.00 0.10 0.00 0.00 66.02 64.74 1gqo s SER 101 CO 0.78 -1.43 1.22 0.21 0.98 0.00 0.00 173.24 175.00 1gqo s ASN 102 N -4.43 6.40 0.28 7.02 3.84 -1.26 -1.31 114.94 125.48 1gqo s ASN 102 Ca 0.58 -1.32 0.01 0.00 0.21 0.00 0.00 52.86 52.34 1gqo s ASN 102 Cb -0.11 -2.49 0.54 0.00 -0.55 0.00 0.00 41.25 38.65 1gqo s ASN 102 CO 0.47 -1.43 1.84 -0.07 -2.79 0.00 0.00 177.10 175.11 1gqo h LEU 103 N 11.85 0.92 -2.44 3.21 3.38 -1.91 -1.38 115.31 128.93 1gqo h LEU 103 Ca -0.01 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1gqo h LEU 103 Cb 1.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1gqo h LEU 103 CO 1.26 0.49 0.11 1.88 0.09 0.00 0.00 178.44 182.27 1gqo h TYR 104 N 1.00 0.00 -0.12 1.13 -1.99 -1.89 0.28 116.97 115.38 1gqo h TYR 104 Ca 0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.22 1gqo h TYR 104 Cb 0.47 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.20 1gqo h TYR 104 CO -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.15 1gqo n ALA 105 N -2.24 2.51 -2.83 3.88 0.00 -0.52 -4.94 120.51 116.37 1gqo n ALA 105 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1gqo n ALA 105 Cb 0.20 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.63 3.56 -1.62 0.00 1.74 0.99 -5.07 116.66 116.88 1gqo n ARG 106 Ca 0.17 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.84 1gqo n ARG 106 Cb 0.43 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.88 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 -0.02 1.40 -0.29 5.56 4.71 -1.26 -4.87 120.64 125.86 1gqo n GLU 107 Ca 0.00 0.50 0.12 0.00 -0.01 0.00 0.00 57.16 57.77 1gqo n GLU 107 Cb 0.00 -2.11 0.27 0.00 -1.01 0.00 0.00 31.44 28.59 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 1.53 0.21 0.00 3.49 4.81 -1.95 -0.35 114.58 122.31 1gqo h GLU 108 Ca -0.45 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1gqo h GLU 108 Cb 1.33 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 1gqo h GLU 108 CO 0.57 0.14 -0.01 0.27 -0.73 0.00 0.00 179.01 179.25 1gqo h PHE 109 N 0.21 0.00 -0.04 0.92 -5.15 -1.98 -1.77 116.94 109.13 1gqo h PHE 109 Ca 0.53 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.30 1gqo h PHE 109 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.22 1gqo h PHE 109 CO -0.27 0.01 0.00 0.54 -2.00 0.00 0.00 178.31 176.58 1gqo n ARG 110 N -3.17 1.32 -0.00 6.09 1.74 -0.14 -3.86 116.66 118.64 1gqo n ARG 110 Ca -0.02 -0.47 0.14 0.00 -0.77 0.00 0.00 57.85 56.73 1gqo n ARG 110 Cb 0.12 -1.42 0.67 0.00 -1.02 0.00 0.00 32.46 30.81 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 -0.37 0.01 -3.82 -1.55 8.25 -0.67 -4.71 115.22 112.36 1gqo n HIS 111 Ca 0.18 -0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.50 1gqo n HIS 111 Cb 0.21 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.99 -0.01 -0.16 -0.41 0.00 -1.25 -4.99 119.66 110.84 1gqo s GLN 112 Ca 0.41 0.09 -0.06 0.00 -0.00 0.00 0.00 55.36 55.80 1gqo s GLN 112 Cb 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 33.01 33.05 1gqo s GLN 112 CO 0.34 -0.08 0.04 0.45 0.00 0.00 0.00 175.29 176.04 1gqo s SER 113 N 0.55 5.47 0.00 12.60 0.15 -1.26 -4.25 113.70 126.95 1gqo s SER 113 Ca -0.05 0.07 0.27 0.00 0.70 0.00 0.00 55.95 56.95 1gqo s SER 113 Cb -0.07 -1.87 0.88 0.00 -1.71 0.00 0.00 66.02 63.25 1gqo s SER 113 CO -0.02 0.21 1.64 1.33 1.20 0.00 0.00 173.24 177.61 1gqo n VAL 114 N 3.25 0.00 -0.05 4.45 0.24 0.46 -3.81 118.33 122.87 1gqo n VAL 114 Ca -0.17 -0.16 -0.09 0.00 -2.04 0.00 0.00 64.34 61.88 1gqo n VAL 114 Cb 0.53 0.40 -0.15 0.00 -1.47 0.00 0.00 33.84 33.15 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 -0.40 1.51 0.07 1.34 5.41 -1.25 -4.55 119.36 121.48 1gqo n ILE 115 Ca 0.15 -0.82 -0.00 0.00 1.00 0.00 0.00 62.75 63.07 1gqo n ILE 115 Cb 0.35 -0.80 0.29 0.00 -0.71 0.00 0.00 39.64 38.77 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 1.01 1.30 -0.15 -1.39 0.00 -1.91 -2.43 119.26 115.70 1gqo h ALA 116 Ca -0.39 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.28 1gqo h ALA 116 Cb 2.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1gqo h ALA 116 CO 0.06 0.47 0.19 -1.35 0.00 0.00 0.00 179.25 178.61 1gqo h PRO 117 N 0.32 0.00 -0.01 0.00 0.11 -1.80 -2.06 132.00 128.56 1gqo h PRO 117 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1gqo h PRO 117 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1gqo h PRO 117 CO 0.04 0.00 -0.05 1.33 -0.21 0.00 0.00 178.00 179.11 1gqo n VAL 118 N -3.67 0.00 -2.58 3.15 0.24 -0.92 -4.99 118.33 109.56 1gqo n VAL 118 Ca 0.01 -0.48 -0.22 0.00 -2.04 0.00 0.00 64.34 61.61 1gqo n VAL 118 Cb 0.30 1.22 0.07 0.00 -1.47 0.00 0.00 33.84 33.96 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 -1.05 3.76 0.15 2.33 0.00 -0.77 -4.71 121.76 121.46 1gqo s ALA 119 Ca 0.12 -1.47 -0.10 0.00 0.00 0.00 0.00 51.96 50.52 1gqo s ALA 119 Cb 0.09 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 1gqo s ALA 119 CO 0.17 -1.10 1.46 0.87 0.00 0.00 0.00 175.76 177.16 1gqo h LYS 120 N -0.24 0.85 0.00 0.00 1.79 -0.95 -3.49 116.57 114.53 1gqo h LYS 120 Ca -0.40 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 57.58 1gqo h LYS 120 Cb 1.29 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1gqo h LYS 120 CO 0.48 1.13 0.00 0.41 -1.08 0.00 0.00 179.45 180.39 1gqo n GLY 121 N 0.23 -1.24 3.22 3.86 0.00 -1.25 -5.06 105.19 104.96 1gqo n GLY 121 Ca -0.03 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.27 0.67 -0.10 1.61 0.74 -1.26 -1.84 119.66 119.21 1gqo s GLN 122 Ca 0.00 -0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.13 1gqo s GLN 122 Cb 0.00 0.29 0.02 0.00 1.10 0.00 0.00 33.01 34.42 1gqo s GLN 122 CO 0.00 -0.19 -0.11 0.42 -0.55 0.00 0.00 175.29 174.86 1gqo s ILE 123 N -1.58 1.21 -0.01 -2.34 1.01 -0.57 -4.98 121.20 113.94 1gqo s ILE 123 Ca -0.12 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1gqo s ILE 123 Cb -0.05 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1gqo s ILE 123 CO 0.02 0.39 -0.10 -0.69 0.00 0.00 0.00 174.94 174.56 1gqo s VAL 124 N 1.24 0.78 0.00 2.92 1.01 -1.26 -1.99 120.40 123.11 1gqo s VAL 124 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1gqo s VAL 124 Cb -0.14 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1gqo s VAL 124 CO -0.04 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1gqo n GLY 125 N 2.85 0.89 2.03 4.51 0.00 -0.43 -4.85 105.19 110.19 1gqo n GLY 125 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 6.13 0.00 0.99 4.77 -1.22 -4.54 117.00 123.13 1gqo n LEU 126 Ca 0.00 -3.21 0.00 0.00 -0.03 0.00 0.00 56.01 52.77 1gqo n LEU 126 Cb 0.00 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1gqo n LEU 126 CO 0.00 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1gqo n GLY 127 N -0.30 0.06 0.32 -0.72 0.00 -0.73 -3.47 105.19 100.35 1gqo n GLY 127 Ca 0.43 -0.94 0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.89 1.00 0.00 4.61 0.00 -1.87 -0.36 119.26 121.74 1gqo h ALA 128 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gqo h ALA 128 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gqo h ALA 128 CO 0.00 0.00 -0.01 1.49 0.00 0.00 0.00 179.25 180.73 1gqo h GLU 129 N 0.00 0.00 -0.94 0.00 4.57 -1.99 -2.79 114.58 113.43 1gqo h GLU 129 Ca 0.00 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.27 1gqo h GLU 129 Cb 0.04 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.56 1gqo h GLU 129 CO 0.00 0.01 0.61 0.78 -1.18 0.00 0.00 179.01 179.22 1gqo h GLY 130 N 0.05 1.42 0.75 1.92 0.00 -1.09 -1.41 103.07 104.72 1gqo h GLY 130 Ca -0.00 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 46.95 1gqo h GLY 130 CO 0.00 0.25 0.15 -0.97 0.00 0.00 0.00 176.54 175.97 1gqo h TYR 131 N 1.01 0.27 -0.10 5.60 -1.99 -1.71 -1.13 116.97 118.91 1gqo h TYR 131 Ca 0.43 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.17 1gqo h TYR 131 Cb 0.32 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 38.98 1gqo h TYR 131 CO -0.00 0.13 0.06 0.87 -0.00 0.00 0.00 178.16 179.22 1gqo h LYS 132 N 0.31 0.14 -0.88 4.88 1.57 -1.50 -0.45 116.57 120.65 1gqo h LYS 132 Ca 0.16 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1gqo h LYS 132 Cb 0.11 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 1gqo h LYS 132 CO -0.14 0.15 0.57 -0.07 -0.57 0.00 0.00 179.45 179.40 1gqo h LEU 133 N 0.09 0.96 -0.49 2.94 3.38 -1.19 0.16 115.31 121.16 1gqo h LEU 133 Ca 0.04 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1gqo h LEU 133 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1gqo h LEU 133 CO -0.01 0.66 -0.03 0.00 0.09 0.00 0.00 178.44 179.15 1gqo h ALA 134 N 1.36 0.67 -0.42 1.53 0.00 -0.94 0.07 119.26 121.53 1gqo h ALA 134 Ca 0.35 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1gqo h ALA 134 Cb -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1gqo h ALA 134 CO -0.11 0.51 0.26 0.28 0.00 0.00 0.00 179.25 180.19 1gqo h VAL 135 N 0.75 1.06 -0.95 0.00 2.07 -0.17 -1.44 116.25 117.58 1gqo h VAL 135 Ca 0.14 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1gqo h VAL 135 Cb 0.56 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1gqo h VAL 135 CO 0.03 0.10 0.62 0.03 0.02 0.00 0.00 177.57 178.37 1gqo h ARG 136 N 0.52 1.15 -0.38 1.57 3.08 -0.20 -0.57 114.38 119.56 1gqo h ARG 136 Ca 0.17 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1gqo h ARG 136 Cb -0.01 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.76 1gqo h ARG 136 CO -0.07 0.76 0.22 -0.92 -1.07 0.00 0.00 179.97 178.89 1gqo h TYR 137 N 1.19 0.41 -0.83 3.04 3.20 -0.69 -1.21 116.97 122.08 1gqo h TYR 137 Ca 0.38 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.38 1gqo h TYR 137 Cb 0.02 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.10 1gqo h TYR 137 CO -0.00 0.23 0.54 -0.07 -1.64 0.00 0.00 178.16 177.22 1gqo h LEU 138 N 0.44 0.63 -0.77 2.82 4.07 -0.02 -0.40 115.31 122.09 1gqo h LEU 138 Ca 0.15 0.03 -0.11 0.00 0.08 0.00 0.00 57.88 58.03 1gqo h LEU 138 Cb 0.02 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 1gqo h LEU 138 CO -0.08 0.35 -0.20 -0.07 -1.08 0.00 0.00 178.44 177.37 1gqo h LEU 139 N 0.69 0.73 -1.87 1.67 3.38 -1.02 -1.99 115.31 116.90 1gqo h LEU 139 Ca 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1gqo h LEU 139 Cb 0.58 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1gqo h LEU 139 CO -0.16 0.92 -0.03 0.77 0.09 0.00 0.00 178.44 180.03 1gqo h SER 140 N 0.64 0.00 -0.01 -0.43 4.64 0.03 -3.52 113.55 114.90 1gqo h SER 140 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1gqo h SER 140 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1gqo h SER 140 CO 0.05 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.04