#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 1.66 0.04 6.00 2.46 -1.26 -0.79 115.29 123.41 1gqo s HIS 2 Ca 0.00 -1.08 0.03 0.00 0.47 0.00 0.00 55.06 54.49 1gqo s HIS 2 Cb 0.00 -1.29 -0.04 0.00 -0.13 0.00 0.00 32.58 31.12 1gqo s HIS 2 CO 0.00 -0.62 -0.00 -0.06 -2.47 0.00 0.00 174.74 171.59 1gqo s PHE 3 N 1.65 3.03 -0.20 3.88 2.99 0.15 -1.56 117.98 127.92 1gqo s PHE 3 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 56.93 56.84 1gqo s PHE 3 Cb -0.15 -1.60 -0.05 0.00 0.00 0.00 0.00 43.02 41.22 1gqo s PHE 3 CO -0.08 0.47 0.22 -1.17 -0.00 0.00 0.00 175.22 174.66 1gqo s LEU 4 N -1.93 4.18 -0.49 -0.37 0.20 -0.92 -1.33 118.68 118.01 1gqo s LEU 4 Ca 0.23 0.31 -0.16 0.00 0.69 0.00 0.00 54.13 55.19 1gqo s LEU 4 Cb -0.12 -2.23 0.08 0.00 -0.43 0.00 0.00 46.19 43.50 1gqo s LEU 4 CO 0.14 0.08 0.44 -0.63 -0.29 0.00 0.00 176.35 176.09 1gqo s ILE 5 N 0.76 5.20 -0.22 6.68 -1.09 0.07 -1.56 121.20 131.04 1gqo s ILE 5 Ca 0.12 -1.10 -0.06 0.00 -2.23 0.00 0.00 60.65 57.37 1gqo s ILE 5 Cb -0.13 -4.18 -0.03 0.00 -1.58 0.00 0.00 42.46 36.54 1gqo s ILE 5 CO 0.03 -0.66 0.03 -0.22 -1.23 0.00 0.00 174.94 172.89 1gqo s LEU 6 N 1.72 3.33 -0.14 2.97 0.20 0.16 -1.75 118.68 125.18 1gqo s LEU 6 Ca 0.05 -0.21 0.00 0.00 0.69 0.00 0.00 54.13 54.66 1gqo s LEU 6 Cb -0.25 -1.87 -0.01 0.00 -0.43 0.00 0.00 46.19 43.63 1gqo s LEU 6 CO 0.06 0.02 -0.14 0.20 -0.29 0.00 0.00 176.35 176.20 1gqo s ASN 7 N 1.28 3.81 0.51 3.68 0.01 0.13 -1.24 114.94 123.12 1gqo s ASN 7 Ca 0.04 -0.40 -0.00 0.00 -0.71 0.00 0.00 52.86 51.79 1gqo s ASN 7 Cb -0.15 -1.58 0.00 0.00 0.41 0.00 0.00 41.25 39.93 1gqo s ASN 7 CO 0.02 0.13 0.01 0.61 -1.51 0.00 0.00 177.10 176.36 1gqo n GLY 8 N 3.77 0.37 3.65 0.66 0.00 0.73 -2.24 105.19 112.13 1gqo n GLY 8 Ca -0.19 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.02 1.67 -0.47 1.61 -0.04 -1.04 -2.72 135.00 132.98 1gqo n PRO 9 Ca 0.00 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1gqo n PRO 9 Cb 0.00 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 0.70 0.00 0.22 3.54 3.02 -1.26 -4.52 115.26 116.96 1gqo n ASN 10 Ca 0.08 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.71 1gqo n ASN 10 Cb 0.37 -1.43 0.49 0.00 -0.61 0.00 0.00 39.78 38.60 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 0.76 0.00 2.41 2.07 -1.89 -1.62 116.25 117.98 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 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1gqo h VAL 11 CO 0.00 0.25 -0.01 -0.55 0.02 0.00 0.00 177.57 177.29 1gqo h ASN 12 N 0.00 0.00 0.05 0.57 -1.07 -1.87 -2.68 115.58 110.58 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 0.65 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.90 1gqo h ASN 12 CO 0.03 0.01 -0.03 0.54 0.07 0.00 0.00 177.43 178.06 1gqo n ARG 13 N -3.16 1.32 -1.67 4.14 5.12 -0.61 -4.64 116.66 117.15 1gqo n ARG 13 Ca -0.02 -0.58 -0.60 0.00 -1.93 0.00 0.00 57.85 54.72 1gqo n ARG 13 Cb 0.14 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 29.87 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 -0.33 1.52 0.00 0.55 4.32 -1.01 -3.85 117.00 118.20 1gqo n LEU 14 Ca 0.20 1.13 0.00 0.00 -0.02 0.00 0.00 56.01 57.32 1gqo n LEU 14 Cb 0.28 -1.03 0.00 0.00 -1.62 0.00 0.00 43.42 41.04 1gqo n LEU 14 CO 0.18 -0.89 0.00 0.61 -1.22 0.00 0.00 177.39 176.07 1gqo n GLY 15 N 3.44 0.94 0.04 -0.72 0.00 -1.25 -4.00 105.19 103.63 1gqo n GLY 15 Ca 0.26 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1gqo n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gqo n SER 16 N 0.00 0.00 -4.23 1.61 2.88 -1.25 -4.43 113.62 108.21 1gqo n SER 16 Ca 0.00 0.06 -0.13 0.00 -1.33 0.00 0.00 58.87 57.48 1gqo n SER 16 Cb 0.00 -0.03 -0.10 0.00 -0.75 0.00 0.00 64.21 63.33 1gqo n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gqo s ARG 17 N -3.31 1.04 -0.20 -1.46 1.70 -1.26 -5.02 118.95 110.44 1gqo s ARG 17 Ca -0.00 -1.48 -0.09 0.00 -0.47 0.00 0.00 55.73 53.68 1gqo s ARG 17 Cb 0.02 -0.28 0.01 0.00 -0.57 0.00 0.00 34.95 34.13 1gqo s ARG 17 CO 0.05 -0.09 0.23 -0.85 -1.08 0.00 0.00 175.30 173.56 1gqo n GLU 18 N -0.19 -0.63 0.26 3.89 0.28 -1.26 -4.77 120.64 118.21 1gqo n GLU 18 Ca -0.08 0.42 0.10 0.00 -0.16 0.00 0.00 57.16 57.43 1gqo n GLU 18 Cb 0.62 -0.73 0.67 0.00 1.43 0.00 0.00 31.44 33.44 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 0.67 0.00 -0.08 3.44 0.13 -1.84 0.21 132.00 134.53 1gqo h PRO 19 Ca -0.21 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.84 1gqo h PRO 19 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1gqo h PRO 19 CO 0.10 0.09 -0.32 0.93 -0.23 0.00 0.00 178.00 178.57 1gqo h GLU 20 N 0.00 0.15 0.00 0.86 3.07 -1.89 0.58 114.58 117.35 1gqo h GLU 20 Ca -0.00 -0.05 -0.26 0.00 -0.50 0.00 0.00 59.36 58.55 1gqo h GLU 20 Cb 0.17 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 1gqo h GLU 20 CO 0.01 0.45 -1.44 0.28 -1.40 0.00 0.00 179.01 176.91 1gqo n VAL 21 N -4.12 1.53 0.01 3.13 0.31 -0.48 -4.75 118.33 113.96 1gqo n VAL 21 Ca -0.01 -0.07 0.06 0.00 -0.01 0.00 0.00 64.34 64.30 1gqo n VAL 21 Cb 0.39 -2.03 -0.11 0.00 -0.91 0.00 0.00 33.84 31.18 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 -4.41 0.41 0.00 3.52 3.01 -0.06 -4.23 117.46 115.70 1gqo n PHE 22 Ca -0.35 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.24 1gqo n PHE 22 Cb 0.70 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 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 1.34 2.64 0.04 1.37 0.00 0.20 -4.82 105.19 105.96 1gqo n GLY 23 Ca -0.08 -1.91 0.11 0.00 0.00 0.00 0.00 46.02 44.14 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 0.83 0.28 0.00 1.61 1.74 -1.26 -4.09 116.66 115.77 1gqo n ARG 24 Ca 0.00 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1gqo n ARG 24 Cb 0.00 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 1gqo n ARG 24 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1gqo n GLN 25 N -1.99 1.11 -4.14 5.56 1.13 -1.26 -4.83 117.38 112.95 1gqo n GLN 25 Ca 0.02 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.99 1gqo n GLN 25 Cb 0.44 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.69 1gqo n GLN 25 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1gqo s THR 26 N 0.00 0.10 0.23 5.09 -4.23 -1.26 -3.90 115.64 111.66 1gqo s THR 26 Ca 0.00 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 58.55 1gqo s THR 26 Cb 0.00 -2.05 0.20 0.00 1.34 0.00 0.00 72.50 71.99 1gqo s THR 26 CO 0.00 -0.44 1.86 0.25 -0.54 0.00 0.00 174.62 175.75 1gqo h LEU 27 N 2.84 1.08 -0.90 4.79 5.85 -1.83 -1.18 115.31 125.96 1gqo h LEU 27 Ca -0.35 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 1gqo h LEU 27 Cb 1.20 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1gqo h LEU 27 CO 0.58 0.85 0.13 0.74 -0.34 0.00 0.00 178.44 180.40 1gqo h THR 28 N 1.22 1.24 -0.24 1.05 2.02 -1.93 -0.73 112.91 115.54 1gqo h THR 28 Ca 0.31 -0.90 0.04 0.00 0.77 0.00 0.00 66.41 66.63 1gqo h THR 28 Cb -0.01 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1gqo h THR 28 CO -0.05 0.34 0.03 0.44 0.37 0.00 0.00 175.52 176.65 1gqo h ASP 29 N 0.89 -0.02 -0.82 4.18 3.32 -1.63 -0.37 116.42 121.97 1gqo h ASP 29 Ca 0.19 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1gqo h ASP 29 Cb 0.34 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 1gqo h ASP 29 CO 0.00 0.02 0.52 0.40 -1.72 0.00 0.00 179.24 178.47 1gqo h ILE 30 N 0.12 1.22 -0.75 0.35 2.04 -0.50 -1.59 117.51 118.41 1gqo h ILE 30 Ca 0.11 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1gqo h ILE 30 Cb 0.12 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 1gqo h ILE 30 CO -0.16 0.22 0.25 -0.08 0.00 0.00 0.00 178.15 178.38 1gqo h GLU 31 N 1.13 1.14 -0.44 2.37 4.81 -0.69 -0.52 114.58 122.38 1gqo h GLU 31 Ca 0.30 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1gqo h GLU 31 Cb -0.09 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 1gqo h GLU 31 CO -0.06 0.96 -0.14 1.15 -0.73 0.00 0.00 179.01 180.18 1gqo h THR 32 N 1.10 1.26 -0.39 0.32 2.02 -0.16 -2.46 112.91 114.60 1gqo h THR 32 Ca 0.24 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.15 1gqo h THR 32 Cb 0.27 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1gqo h THR 32 CO -0.01 0.42 0.07 0.44 0.37 0.00 0.00 175.52 176.80 1gqo h ASP 33 N 0.73 0.62 -0.35 4.18 5.19 -1.03 -3.06 116.42 122.70 1gqo h ASP 33 Ca 0.12 -0.26 -0.06 0.00 -0.62 0.00 0.00 57.03 56.21 1gqo h ASP 33 Cb 0.64 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1gqo h ASP 33 CO 0.04 0.72 0.04 -0.07 -3.12 0.00 0.00 179.24 176.85 1gqo h LEU 34 N 0.50 0.65 -1.23 1.55 3.38 -0.89 -3.25 115.31 116.03 1gqo h LEU 34 Ca 0.12 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1gqo h LEU 34 Cb 0.36 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1gqo h LEU 34 CO 0.01 0.70 -0.01 -0.26 0.09 0.00 0.00 178.44 178.96 1gqo h PHE 35 N 0.66 0.53 -0.50 1.13 0.05 -1.34 -3.16 116.94 114.31 1gqo h PHE 35 Ca 0.14 -0.05 0.04 0.00 3.82 0.00 0.00 57.97 61.92 1gqo h PHE 35 Cb 0.36 -0.15 -0.04 0.00 2.00 0.00 0.00 35.95 38.11 1gqo h PHE 35 CO 0.02 0.53 0.25 1.96 -0.18 0.00 0.00 178.31 180.89 1gqo h GLN 36 N 0.49 0.48 -0.65 1.51 4.20 -1.61 -2.91 115.11 116.62 1gqo h GLN 36 Ca 0.10 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1gqo h GLN 36 Cb 0.34 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1gqo h GLN 36 CO 0.01 0.32 0.34 0.35 -0.67 0.00 0.00 178.83 179.18 1gqo h PHE 37 N 0.50 0.90 0.00 2.96 3.57 -1.67 -2.11 116.94 121.09 1gqo h PHE 37 Ca 0.22 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1gqo h PHE 37 Cb 0.13 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1gqo h PHE 37 CO -0.10 0.65 -0.32 0.00 -2.23 0.00 0.00 178.31 176.32 1gqo h ALA 38 N 1.16 1.39 -0.25 2.41 0.00 -1.61 -2.85 119.26 119.51 1gqo h ALA 38 Ca 0.23 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1gqo h ALA 38 Cb 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1gqo h ALA 38 CO -0.03 0.39 -0.21 1.49 0.00 0.00 0.00 179.25 180.89 1gqo h GLU 39 N 0.00 0.46 -0.01 0.00 4.57 -1.18 -1.07 114.58 117.35 1gqo h GLU 39 Ca -0.00 -0.16 -0.14 0.00 -1.18 0.00 0.00 59.36 57.88 1gqo h GLU 39 Cb 0.59 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1gqo h GLU 39 CO 0.04 0.65 -0.65 0.00 -1.18 0.00 0.00 179.01 177.88 1gqo h ALA 40 N 1.36 0.91 -0.52 2.92 0.00 -1.37 -3.31 119.26 119.24 1gqo h ALA 40 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1gqo h ALA 40 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1gqo h ALA 40 CO 0.04 0.79 0.00 1.28 0.00 0.00 0.00 179.25 181.37 1gqo n LEU 41 N -3.79 3.01 -3.20 0.00 4.77 -0.80 -4.89 117.00 112.10 1gqo n LEU 41 Ca -0.01 -1.51 -0.21 0.00 -0.03 0.00 0.00 56.01 54.25 1gqo n LEU 41 Cb 0.64 -0.38 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1gqo n LEU 41 CO 0.43 0.69 0.20 1.41 -1.33 0.00 0.00 177.39 178.79 1gqo n HIS 42 N 1.00 -2.49 -4.41 -1.77 8.25 -0.96 -5.00 115.22 109.85 1gqo n HIS 42 Ca 0.18 0.86 -0.21 0.00 -0.26 0.00 0.00 57.72 58.29 1gqo n HIS 42 Cb 0.50 -4.55 -0.13 0.00 1.12 0.00 0.00 29.99 26.93 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 -3.27 1.24 0.13 1.59 -4.36 -0.47 -4.56 121.20 111.50 1gqo s ILE 43 Ca 0.50 -1.06 0.07 0.00 -0.26 0.00 0.00 60.65 59.90 1gqo s ILE 43 Cb -0.22 -1.11 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 1gqo s ILE 43 CO 0.62 0.04 -0.09 -1.10 0.24 0.00 0.00 174.94 174.65 1gqo s GLN 44 N -1.18 2.14 0.05 0.37 -0.21 0.03 -4.21 119.66 116.66 1gqo s GLN 44 Ca 0.03 -1.09 0.08 0.00 0.02 0.00 0.00 55.36 54.40 1gqo s GLN 44 Cb -0.08 -2.28 -0.03 0.00 1.00 0.00 0.00 33.01 31.62 1gqo s GLN 44 CO 0.01 0.49 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.94 1gqo s LEU 45 N -2.43 2.17 0.00 2.90 1.43 -1.26 0.33 118.68 121.83 1gqo s LEU 45 Ca 0.23 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1gqo s LEU 45 Cb -0.10 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 1gqo s LEU 45 CO 0.15 0.18 -0.22 -0.89 0.23 0.00 0.00 176.35 175.79 1gqo s THR 46 N -0.81 1.77 -0.12 5.49 2.01 -0.44 -4.93 115.64 118.61 1gqo s THR 46 Ca 0.08 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 1gqo s THR 46 Cb -0.09 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1gqo s THR 46 CO 0.02 0.41 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.97 1gqo s PHE 47 N -0.62 3.05 -0.10 4.92 0.40 -1.26 -0.75 117.98 123.62 1gqo s PHE 47 Ca 0.09 -0.08 -0.06 0.00 -0.60 0.00 0.00 56.93 56.28 1gqo s PHE 47 Cb -0.09 -1.86 0.04 0.00 0.51 0.00 0.00 43.02 41.62 1gqo s PHE 47 CO 0.00 0.19 0.24 0.12 0.70 0.00 0.00 175.22 176.47 1gqo s PHE 48 N -0.24 -0.30 0.03 0.36 5.36 -0.72 -4.98 117.98 117.50 1gqo s PHE 48 Ca 0.05 0.72 0.05 0.00 -0.96 0.00 0.00 56.93 56.78 1gqo s PHE 48 Cb -0.13 0.05 -0.02 0.00 -0.34 0.00 0.00 43.02 42.59 1gqo s PHE 48 CO 0.02 -0.19 -0.15 -1.14 -1.46 0.00 0.00 175.22 172.30 1gqo s GLN 49 N 0.88 1.03 -0.05 10.12 -0.44 -1.26 -0.69 119.66 129.25 1gqo s GLN 49 Ca -0.06 -0.75 -0.28 0.00 -2.50 0.00 0.00 55.36 51.76 1gqo s GLN 49 Cb -0.08 -1.05 0.06 0.00 -1.64 0.00 0.00 33.01 30.31 1gqo s GLN 49 CO -0.06 0.26 0.61 0.45 0.50 0.00 0.00 175.29 177.06 1gqo s SER 50 N -1.04 -0.58 0.00 6.67 0.15 -0.95 -4.98 113.70 112.97 1gqo s SER 50 Ca 0.03 0.63 0.28 0.00 0.70 0.00 0.00 55.95 57.59 1gqo s SER 50 Cb -0.08 0.53 1.10 0.00 -1.71 0.00 0.00 66.02 65.86 1gqo s SER 50 CO 0.01 -0.57 1.77 0.59 1.20 0.00 0.00 173.24 176.25 1gqo n ASN 51 N 1.04 1.07 -4.67 5.45 3.02 -1.26 -2.51 115.26 117.39 1gqo n ASN 51 Ca -0.19 -1.16 -0.37 0.00 -0.03 0.00 0.00 54.58 52.83 1gqo n ASN 51 Cb 0.57 0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.68 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 -2.19 3.36 0.15 3.10 3.76 -1.26 -4.62 115.29 117.58 1gqo s HIS 52 Ca 0.34 0.43 -0.17 0.00 -0.15 0.00 0.00 55.06 55.52 1gqo s HIS 52 Cb 0.21 -2.38 0.05 0.00 1.11 0.00 0.00 32.58 31.56 1gqo s HIS 52 CO 0.40 0.06 1.75 1.49 -0.85 0.00 0.00 174.74 177.59 1gqo h GLU 53 N 7.35 0.24 -0.81 1.40 4.81 -2.01 -2.17 114.58 123.39 1gqo h GLU 53 Ca -0.38 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 58.94 1gqo h GLU 53 Cb 1.16 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 1gqo h GLU 53 CO 0.70 0.16 0.53 0.78 -0.73 0.00 0.00 179.01 180.44 1gqo h GLY 54 N 0.25 1.08 1.12 1.92 0.00 -1.99 -2.12 103.07 103.32 1gqo h GLY 54 Ca 0.15 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1gqo h GLY 54 CO -0.16 0.18 -0.31 -0.55 0.00 0.00 0.00 176.54 175.70 1gqo h ASP 55 N 0.75 1.01 -0.76 0.19 3.32 -1.81 -0.19 116.42 118.92 1gqo h ASP 55 Ca 0.37 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1gqo h ASP 55 Cb 0.44 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1gqo h ASP 55 CO -0.15 1.23 0.26 -0.07 -1.72 0.00 0.00 179.24 178.79 1gqo h LEU 56 N 0.80 1.10 0.05 1.55 3.38 -1.23 -1.83 115.31 119.12 1gqo h LEU 56 Ca 0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1gqo h LEU 56 Cb 0.90 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1gqo h LEU 56 CO 0.08 1.00 -0.02 0.40 0.09 0.00 0.00 178.44 179.99 1gqo h ILE 57 N 1.13 1.04 -0.52 1.22 2.04 -1.20 -1.69 117.51 119.54 1gqo h ILE 57 Ca 0.25 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1gqo h ILE 57 Cb 0.28 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1gqo h ILE 57 CO -0.01 0.07 0.25 0.44 0.00 0.00 0.00 178.15 178.90 1gqo h ASP 58 N -0.19 0.36 -0.66 1.72 3.32 -1.02 -1.31 116.42 118.64 1gqo h ASP 58 Ca -0.01 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1gqo h ASP 58 Cb 0.17 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1gqo h ASP 58 CO 0.01 0.24 0.40 0.00 -1.72 0.00 0.00 179.24 178.18 1gqo h ALA 59 N 1.29 1.45 -0.16 3.45 0.00 -1.24 -2.03 119.26 122.02 1gqo h ALA 59 Ca 0.23 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1gqo h ALA 59 Cb 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1gqo h ALA 59 CO -0.17 0.47 -0.25 0.82 0.00 0.00 0.00 179.25 180.12 1gqo h ILE 60 N 0.92 1.35 -0.77 0.00 2.04 -0.85 -0.44 117.51 119.77 1gqo h ILE 60 Ca 0.24 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 1gqo h ILE 60 Cb -0.04 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1gqo h ILE 60 CO -0.05 0.44 0.43 0.45 0.00 0.00 0.00 178.15 179.43 1gqo h HIS 61 N 0.08 1.03 0.00 1.37 3.86 -0.97 -2.89 115.15 117.62 1gqo h HIS 61 Ca 0.01 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 1gqo h HIS 61 Cb 0.83 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1gqo h HIS 61 CO 0.09 0.70 -0.36 0.93 0.86 0.00 0.00 177.93 180.16 1gqo h GLU 62 N 1.06 0.00 -0.51 2.45 5.08 -1.13 -3.29 114.58 118.24 1gqo h GLU 62 Ca 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1gqo h GLU 62 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1gqo h GLU 62 CO -0.05 0.36 0.27 0.00 -1.00 0.00 0.00 179.01 178.59 1gqo h ALA 63 N 1.64 1.51 -0.92 3.43 0.00 -0.86 -3.21 119.26 120.85 1gqo h ALA 63 Ca -0.00 -0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.06 1gqo h ALA 63 Cb 1.17 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1gqo h ALA 63 CO 0.05 0.40 0.64 1.49 0.00 0.00 0.00 179.25 181.83 1gqo h GLU 64 N 0.71 0.13 -0.28 0.00 4.57 -1.69 0.10 114.58 118.12 1gqo h GLU 64 Ca 0.18 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1gqo h GLU 64 Cb 0.04 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1gqo h GLU 64 CO -0.03 0.09 0.00 0.39 -1.18 0.00 0.00 179.01 178.28 1gqo n GLU 65 N -4.36 2.32 0.00 1.92 1.02 -1.21 -4.59 120.64 115.74 1gqo n GLU 65 Ca 0.20 -1.98 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 1gqo n GLU 65 Cb 0.90 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 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 1.23 2.14 -4.53 3.49 7.27 0.17 -5.12 117.38 122.03 1gqo n GLN 66 Ca 0.18 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 57.00 1gqo n GLN 66 Cb 0.55 -0.62 -0.10 0.00 2.41 0.00 0.00 30.24 32.48 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 -0.98 2.35 -1.94 3.69 1.51 -0.17 -4.83 117.35 116.98 1gqo s TYR 67 Ca 0.00 -0.51 0.16 0.00 -1.01 0.00 0.00 57.07 55.71 1gqo s TYR 67 Cb 0.00 -1.33 0.20 0.00 -0.11 0.00 0.00 41.96 40.71 1gqo s TYR 67 CO 0.00 0.56 1.10 -1.13 -1.11 0.00 0.00 175.55 174.97 1gqo n SER 68 N -0.76 2.59 -3.64 2.29 3.41 -0.60 -4.77 113.62 112.14 1gqo n SER 68 Ca -0.05 -1.76 -0.02 0.00 -0.26 0.00 0.00 58.87 56.78 1gqo n SER 68 Cb 0.63 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.31 -0.15 -0.02 5.00 0.00 -1.26 -4.40 107.32 105.18 1gqo s GLY 69 Ca 0.22 2.08 0.03 0.00 0.00 0.00 0.00 44.72 47.05 1gqo s GLY 69 CO 0.21 0.72 -0.09 -0.42 0.00 0.00 0.00 173.10 173.52 1gqo s ILE 70 N -1.87 0.79 -0.31 0.90 1.01 -0.89 -2.17 121.20 118.67 1gqo s ILE 70 Ca 0.11 -0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 1gqo s ILE 70 Cb -0.01 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 1gqo s ILE 70 CO -0.03 0.24 0.15 -0.69 0.00 0.00 0.00 174.94 174.61 1gqo s VAL 71 N 0.12 4.57 -0.17 2.92 1.01 -0.60 -1.98 120.40 126.26 1gqo s VAL 71 Ca -0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1gqo s VAL 71 Cb -0.08 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 1gqo s VAL 71 CO 0.00 0.07 -0.13 -0.22 0.00 0.00 0.00 175.10 174.82 1gqo s LEU 72 N 1.61 2.54 -0.44 3.92 2.96 -0.25 0.40 118.68 129.42 1gqo s LEU 72 Ca 0.04 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1gqo s LEU 72 Cb -0.17 -1.60 0.12 0.00 0.50 0.00 0.00 46.19 45.04 1gqo s LEU 72 CO 0.06 0.05 0.18 0.21 -1.32 0.00 0.00 176.35 175.53 1gqo s ASN 73 N 1.03 4.34 0.00 3.68 3.84 -0.38 -0.75 114.94 126.71 1gqo s ASN 73 Ca -0.01 -2.60 0.31 0.00 0.21 0.00 0.00 52.86 50.77 1gqo s ASN 73 Cb -0.15 -1.50 1.66 0.00 -0.55 0.00 0.00 41.25 40.71 1gqo s ASN 73 CO -0.03 -0.29 2.10 -0.81 -2.79 0.00 0.00 177.10 175.28 1gqo n PRO 74 N 3.64 0.84 0.00 0.43 -0.04 -1.26 -0.19 135.00 138.42 1gqo n PRO 74 Ca 0.05 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 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 1.13 -0.41 0.05 0.55 0.00 -1.26 -3.10 105.19 102.15 1gqo n GLY 75 Ca 0.20 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 45.20 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 1.51 1.14 0.30 4.61 0.00 -1.26 -1.25 120.51 125.56 1gqo n ALA 76 Ca 0.00 0.06 0.18 0.00 0.00 0.00 0.00 53.44 53.67 1gqo n ALA 76 Cb 0.00 -1.14 0.85 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.32 0.00 3.38 -1.91 -0.90 115.31 114.55 1gqo h LEU 77 Ca 0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 1gqo h LEU 77 Cb 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 1gqo h LEU 77 CO 0.00 0.00 0.60 -1.28 0.09 0.00 0.00 178.44 177.85 1gqo h SER 78 N 0.00 0.57 0.39 -0.43 0.87 -1.34 0.01 113.55 113.62 1gqo h SER 78 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1gqo h SER 78 Cb 0.19 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1gqo h SER 78 CO 0.00 0.24 -0.13 1.41 -0.53 0.00 0.00 176.83 177.83 1gqo n HIS 79 N -4.58 0.00 -0.67 2.24 8.25 -0.34 -0.77 115.22 119.35 1gqo n HIS 79 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1gqo n HIS 79 Cb 0.60 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.99 0.00 -2.61 4.41 0.18 -1.05 -4.73 117.16 112.37 1gqo n TYR 80 Ca 0.14 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.49 1gqo n TYR 80 Cb 0.29 0.00 -0.02 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 6.68 0.54 9.48 0.15 -0.04 -4.74 113.70 125.78 1gqo s SER 81 Ca 0.00 -1.98 0.31 0.00 0.70 0.00 0.00 55.95 54.98 1gqo s SER 81 Cb 0.00 -2.55 1.55 0.00 -1.71 0.00 0.00 66.02 63.31 1gqo s SER 81 CO 0.00 -1.30 2.09 1.88 1.20 0.00 0.00 173.24 177.10 1gqo h TYR 82 N 8.69 0.00 -0.53 3.44 -1.99 -1.90 -2.12 116.97 122.56 1gqo h TYR 82 Ca 0.31 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.92 1gqo h TYR 82 Cb 0.95 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.66 1gqo h TYR 82 CO 1.32 0.09 -0.12 0.00 -0.00 0.00 0.00 178.16 179.45 1gqo h ALA 83 N 1.91 0.78 -0.16 3.88 0.00 -1.98 -2.08 119.26 121.61 1gqo h ALA 83 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1gqo h ALA 83 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1gqo h ALA 83 CO 0.01 0.67 -0.35 0.82 0.00 0.00 0.00 179.25 180.40 1gqo h ILE 84 N 0.90 1.29 0.07 0.00 2.04 -1.78 -2.53 117.51 117.50 1gqo h ILE 84 Ca 0.14 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.59 1gqo h ILE 84 Cb 0.68 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1gqo h ILE 84 CO 0.05 0.43 -0.03 -0.09 0.00 0.00 0.00 178.15 178.51 1gqo h ARG 85 N 0.29 -0.09 0.00 2.37 2.43 -1.23 -1.66 114.38 116.49 1gqo h ARG 85 Ca 0.03 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1gqo h ARG 85 Cb 0.76 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1gqo h ARG 85 CO 0.06 0.01 -0.17 -0.44 -1.51 0.00 0.00 179.97 177.92 1gqo h ASP 86 N -0.18 0.00 -0.10 -3.80 5.19 -1.26 -1.79 116.42 114.48 1gqo h ASP 86 Ca -0.01 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 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 0.02 0.17 -0.19 0.00 -3.12 0.00 0.00 179.24 176.12 1gqo h ALA 87 N 1.83 0.16 -0.90 3.45 0.00 -0.95 -2.37 119.26 120.48 1gqo h ALA 87 Ca -0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1gqo h ALA 87 Cb 0.65 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1gqo h ALA 87 CO 0.02 0.09 0.56 0.28 0.00 0.00 0.00 179.25 180.20 1gqo h VAL 88 N -0.13 1.24 0.00 0.00 2.07 -0.52 -1.89 116.25 117.02 1gqo h VAL 88 Ca 0.01 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1gqo h VAL 88 Cb 0.76 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1gqo h VAL 88 CO 0.04 0.25 -0.01 0.28 0.02 0.00 0.00 177.57 178.16 1gqo h SER 89 N 1.24 0.00 -0.12 0.57 0.02 -1.30 -2.93 113.55 111.03 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 -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1gqo h SER 89 CO -0.06 0.01 0.00 -1.54 -1.14 0.00 0.00 176.83 174.09 1gqo n SER 90 N -3.10 1.99 -4.54 3.07 3.41 -0.71 -4.88 113.62 108.86 1gqo n SER 90 Ca -0.00 -1.70 -0.25 0.00 -0.26 0.00 0.00 58.87 56.66 1gqo n SER 90 Cb 0.26 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.86 2.47 -0.90 -1.33 -4.36 -1.11 -5.05 121.20 109.07 1gqo s ILE 91 Ca 0.35 -2.22 0.22 0.00 -0.26 0.00 0.00 60.65 58.74 1gqo s ILE 91 Cb 0.20 -2.57 -0.21 0.00 1.25 0.00 0.00 42.46 41.13 1gqo s ILE 91 CO 0.30 -0.28 0.91 -1.54 0.24 0.00 0.00 174.94 174.58 1gqo n SER 92 N -0.77 0.85 -4.79 4.36 3.41 -1.26 -4.96 113.62 110.46 1gqo n SER 92 Ca -0.05 -0.81 -0.33 0.00 -0.26 0.00 0.00 58.87 57.42 1gqo n SER 92 Cb 0.62 1.01 0.01 0.00 -0.26 0.00 0.00 64.21 65.59 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 -3.18 3.55 0.11 1.04 1.43 -1.26 -5.02 118.68 115.35 1gqo s LEU 93 Ca 0.07 1.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.76 1gqo s LEU 93 Cb 0.16 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.78 1gqo s LEU 93 CO 0.86 -1.19 1.00 -2.16 0.23 0.00 0.00 176.35 175.09 1gqo s PRO 94 N -3.90 4.66 -0.06 1.29 0.04 -1.26 -4.94 135.00 130.83 1gqo s PRO 94 Ca 0.65 1.52 0.03 0.00 0.04 0.00 0.00 61.00 63.24 1gqo s PRO 94 Cb -0.17 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 31.01 1gqo s PRO 94 CO 0.34 0.15 -0.15 0.08 0.04 0.00 0.00 177.00 177.47 1gqo s VAL 95 N 0.06 1.31 -0.17 -0.36 1.01 -1.26 -2.09 120.40 118.89 1gqo s VAL 95 Ca 0.48 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1gqo s VAL 95 Cb -0.25 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1gqo s VAL 95 CO 0.31 0.39 -0.15 -0.69 0.00 0.00 0.00 175.10 174.96 1gqo s VAL 96 N 0.45 2.63 0.04 2.92 1.01 -0.84 -0.61 120.40 126.01 1gqo s VAL 96 Ca -0.12 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 1gqo s VAL 96 Cb -0.15 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.05 1gqo s VAL 96 CO 0.04 0.51 0.48 -0.70 0.00 0.00 0.00 175.10 175.42 1gqo s GLU 97 N 1.05 4.02 -0.02 2.72 2.12 -0.37 -1.08 118.70 127.13 1gqo s GLU 97 Ca -0.01 0.53 0.01 0.00 0.36 0.00 0.00 54.97 55.86 1gqo s GLU 97 Cb -0.15 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.07 1gqo s GLU 97 CO -0.04 0.65 -0.02 0.08 -0.54 0.00 0.00 175.26 175.39 1gqo s VAL 98 N -1.14 0.26 -0.02 3.70 1.01 0.07 -1.63 120.40 122.64 1gqo s VAL 98 Ca 0.27 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1gqo s VAL 98 Cb -0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.91 1gqo s VAL 98 CO 0.16 0.13 -0.11 -1.00 0.00 0.00 0.00 175.10 174.28 1gqo s HIS 99 N 0.61 1.10 -0.03 5.22 3.76 -0.76 -4.20 115.29 120.99 1gqo s HIS 99 Ca -0.06 -0.27 -0.22 0.00 -0.15 0.00 0.00 55.06 54.36 1gqo s HIS 99 Cb -0.09 -0.76 -0.27 0.00 1.11 0.00 0.00 32.58 32.57 1gqo s HIS 99 CO -0.01 -0.09 0.99 -0.07 -0.85 0.00 0.00 174.74 174.71 1gqo h LEU 100 N 6.23 0.44-10.47 0.89 4.07 -1.87 -2.76 115.31 111.84 1gqo h LEU 100 Ca -0.33 -0.85 -0.46 0.00 0.08 0.00 0.00 57.88 56.31 1gqo h LEU 100 Cb 1.17 -0.14 0.06 0.00 1.08 0.00 0.00 40.66 42.83 1gqo h LEU 100 CO 0.49 1.25 0.12 -0.94 -1.08 0.00 0.00 178.44 178.28 1gqo s SER 101 N -6.76 5.36 -0.98 -0.43 1.04 -1.26 -1.52 113.70 109.14 1gqo s SER 101 Ca -0.14 0.48 -0.20 0.00 0.48 0.00 0.00 55.95 56.57 1gqo s SER 101 Cb 0.02 -1.39 0.11 0.00 0.10 0.00 0.00 66.02 64.85 1gqo s SER 101 CO 0.81 -1.18 1.26 0.21 0.98 0.00 0.00 173.24 175.32 1gqo s ASN 102 N -4.37 6.61 0.35 7.02 3.84 -1.26 -1.96 114.94 125.17 1gqo s ASN 102 Ca 0.55 -1.91 0.08 0.00 0.21 0.00 0.00 52.86 51.79 1gqo s ASN 102 Cb -0.10 -2.46 0.77 0.00 -0.55 0.00 0.00 41.25 38.91 1gqo s ASN 102 CO 0.43 -1.19 1.88 -0.07 -2.79 0.00 0.00 177.10 175.36 1gqo h LEU 103 N 11.20 0.69 -2.57 3.21 3.38 -1.91 -1.61 115.31 127.68 1gqo h LEU 103 Ca 0.19 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1gqo h LEU 103 Cb 1.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1gqo h LEU 103 CO 1.23 0.37 0.03 1.88 0.09 0.00 0.00 178.44 182.04 1gqo h TYR 104 N 0.74 0.00 -0.20 1.13 -1.99 -1.88 -0.18 116.97 114.59 1gqo h TYR 104 Ca 0.43 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.16 1gqo h TYR 104 Cb 0.62 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.35 1gqo h TYR 104 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1gqo n ALA 105 N -2.00 2.46 -2.84 3.88 0.00 -0.61 -4.96 120.51 116.45 1gqo n ALA 105 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1gqo n ALA 105 Cb 0.09 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.15 3.38 -1.56 0.00 1.74 -0.08 -5.06 116.66 116.23 1gqo n ARG 106 Ca 0.17 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.87 1gqo n ARG 106 Cb 0.54 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.02 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 -0.05 0.82 -0.20 5.56 4.71 -1.26 -4.87 120.64 125.34 1gqo n GLU 107 Ca 0.00 0.31 0.09 0.00 -0.01 0.00 0.00 57.16 57.55 1gqo n GLU 107 Cb 0.00 -1.97 0.38 0.00 -1.01 0.00 0.00 31.44 28.84 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 0.56 0.67 0.00 3.49 4.81 -1.95 -1.18 114.58 120.98 1gqo h GLU 108 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1gqo h GLU 108 Cb 1.37 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1gqo h GLU 108 CO 0.50 0.45 0.00 0.27 -0.73 0.00 0.00 179.01 179.50 1gqo h PHE 109 N 0.69 0.00 -0.01 0.92 -5.15 -1.97 -0.87 116.94 110.56 1gqo h PHE 109 Ca 0.36 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.13 1gqo h PHE 109 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.63 1gqo h PHE 109 CO -0.00 0.00 -0.11 0.54 -2.00 0.00 0.00 178.31 176.74 1gqo n ARG 110 N -3.04 0.91 0.00 6.09 1.74 -0.44 -4.03 116.66 117.88 1gqo n ARG 110 Ca -0.02 -0.39 0.15 0.00 -0.77 0.00 0.00 57.85 56.82 1gqo n ARG 110 Cb 0.12 -1.49 0.72 0.00 -1.02 0.00 0.00 32.46 30.79 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 -0.70 0.00 -4.19 -1.55 8.25 -0.33 -4.73 115.22 111.96 1gqo n HIS 111 Ca 0.16 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.44 1gqo n HIS 111 Cb 0.29 -0.07 -0.15 0.00 1.12 0.00 0.00 29.99 31.18 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 -2.17 0.62 -0.20 -0.41 0.00 -1.26 -5.00 119.66 111.24 1gqo s GLN 112 Ca 0.39 -0.17 -0.07 0.00 -0.00 0.00 0.00 55.36 55.50 1gqo s GLN 112 Cb 0.21 -0.62 -0.04 0.00 0.00 0.00 0.00 33.01 32.57 1gqo s GLN 112 CO 0.40 0.05 0.06 0.45 0.00 0.00 0.00 175.29 176.24 1gqo s SER 113 N 0.28 5.44 0.00 12.60 0.15 -1.26 -4.14 113.70 126.76 1gqo s SER 113 Ca -0.03 -0.01 0.28 0.00 0.70 0.00 0.00 55.95 56.89 1gqo s SER 113 Cb -0.07 -1.94 1.15 0.00 -1.71 0.00 0.00 66.02 63.44 1gqo s SER 113 CO -0.00 0.12 1.80 1.33 1.20 0.00 0.00 173.24 177.69 1gqo n VAL 114 N 3.90 0.00 -0.10 4.45 0.24 0.05 -3.69 118.33 123.18 1gqo n VAL 114 Ca -0.16 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 61.87 1gqo n VAL 114 Cb 0.52 0.23 -0.14 0.00 -1.47 0.00 0.00 33.84 32.98 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 -0.36 1.31 -0.04 1.34 5.41 -1.26 -4.59 119.36 121.16 1gqo n ILE 115 Ca 0.18 -0.72 0.17 0.00 1.00 0.00 0.00 62.75 63.37 1gqo n ILE 115 Cb 0.30 -0.73 0.61 0.00 -0.71 0.00 0.00 39.64 39.11 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 0.67 2.30 -0.10 -1.39 0.00 -1.92 -1.90 119.26 116.92 1gqo h ALA 116 Ca -0.52 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1gqo h ALA 116 Cb 2.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.84 1gqo h ALA 116 CO -0.00 -0.45 0.07 -1.35 0.00 0.00 0.00 179.25 177.52 1gqo h PRO 117 N 0.18 0.02 -0.01 0.00 0.11 -1.81 -2.43 132.00 128.06 1gqo h PRO 117 Ca 0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1gqo h PRO 117 Cb 0.84 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1gqo h PRO 117 CO -0.04 0.02 -0.32 1.33 -0.21 0.00 0.00 178.00 178.77 1gqo n VAL 118 N -4.51 0.00 -2.04 3.15 0.24 -0.73 -4.99 118.33 109.45 1gqo n VAL 118 Ca -0.01 -0.34 -0.28 0.00 -2.04 0.00 0.00 64.34 61.67 1gqo n VAL 118 Cb 0.17 1.14 0.13 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.74 2.67 0.16 2.33 0.00 -0.92 -4.78 121.76 119.49 1gqo s ALA 119 Ca 0.10 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 1gqo s ALA 119 Cb 0.11 -2.72 0.02 0.00 0.00 0.00 0.00 23.12 20.53 1gqo s ALA 119 CO 0.37 -1.90 1.50 0.87 0.00 0.00 0.00 175.76 176.60 1gqo h LYS 120 N -1.16 0.84 0.00 0.00 1.79 -1.14 -3.49 116.57 113.41 1gqo h LYS 120 Ca -0.44 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 57.58 1gqo h LYS 120 Cb 1.28 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1gqo h LYS 120 CO 0.51 1.08 0.00 0.41 -1.08 0.00 0.00 179.45 180.37 1gqo n GLY 121 N 0.10 -1.30 3.11 3.86 0.00 -1.24 -5.06 105.19 104.66 1gqo n GLY 121 Ca -0.02 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.89 0.45 -0.10 1.61 0.74 -1.26 -1.24 119.66 118.98 1gqo s GLN 122 Ca 0.00 -0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.11 1gqo s GLN 122 Cb 0.00 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.32 1gqo s GLN 122 CO 0.00 -0.11 -0.08 0.42 -0.55 0.00 0.00 175.29 174.97 1gqo s ILE 123 N -1.18 1.01 -0.02 -2.34 1.01 -0.65 -4.95 121.20 114.08 1gqo s ILE 123 Ca -0.13 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1gqo s ILE 123 Cb -0.07 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.40 1gqo s ILE 123 CO 0.02 0.36 -0.08 -0.69 0.00 0.00 0.00 174.94 174.55 1gqo s VAL 124 N 1.48 0.64 0.00 2.92 1.01 -1.26 -1.84 120.40 123.35 1gqo s VAL 124 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1gqo s VAL 124 Cb -0.13 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1gqo s VAL 124 CO -0.05 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1gqo n GLY 125 N 3.18 1.26 2.07 4.51 0.00 -0.83 -4.85 105.19 110.52 1gqo n GLY 125 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 6.26 0.00 0.99 4.77 -1.21 -4.63 117.00 123.18 1gqo n LEU 126 Ca 0.00 -3.27 0.00 0.00 -0.03 0.00 0.00 56.01 52.71 1gqo n LEU 126 Cb 0.00 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 1gqo n LEU 126 CO 0.00 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1gqo n GLY 127 N -0.29 0.71 0.29 -0.72 0.00 -0.58 -3.50 105.19 101.09 1gqo n GLY 127 Ca 0.44 -0.82 0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.87 1.53 -0.03 4.61 0.00 -1.88 0.36 119.26 122.99 1gqo h ALA 128 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1gqo h ALA 128 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gqo h ALA 128 CO 0.00 0.03 0.03 1.49 0.00 0.00 0.00 179.25 180.80 1gqo h GLU 129 N 0.00 0.00 -0.98 0.00 4.57 -1.98 -2.31 114.58 113.88 1gqo h GLU 129 Ca -0.00 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.34 1gqo h GLU 129 Cb 0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.57 1gqo h GLU 129 CO 0.00 0.00 0.61 0.78 -1.18 0.00 0.00 179.01 179.23 1gqo h GLY 130 N 0.00 1.56 0.54 1.92 0.00 -0.95 -0.12 103.07 106.01 1gqo h GLY 130 Ca 0.01 -0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.04 1gqo h GLY 130 CO -0.00 0.05 0.04 -0.97 0.00 0.00 0.00 176.54 175.66 1gqo h TYR 131 N 0.81 0.07 -0.11 5.60 -1.99 -1.62 -1.55 116.97 118.18 1gqo h TYR 131 Ca 0.52 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.26 1gqo h TYR 131 Cb 0.75 0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.49 1gqo h TYR 131 CO -0.00 -0.01 0.01 0.87 -0.00 0.00 0.00 178.16 179.02 1gqo h LYS 132 N 0.15 0.18 -0.85 4.88 1.57 -1.40 -1.79 116.57 119.31 1gqo h LYS 132 Ca 0.17 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1gqo h LYS 132 Cb 0.20 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1gqo h LYS 132 CO -0.24 0.41 0.54 -0.07 -0.57 0.00 0.00 179.45 179.52 1gqo h LEU 133 N -0.07 0.88 -0.64 2.94 3.38 -0.94 0.82 115.31 121.69 1gqo h LEU 133 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1gqo h LEU 133 Cb 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1gqo h LEU 133 CO 0.00 0.60 0.35 0.00 0.09 0.00 0.00 178.44 179.48 1gqo h ALA 134 N 1.37 0.82 -0.79 1.53 0.00 -1.20 -0.57 119.26 120.41 1gqo h ALA 134 Ca 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1gqo h ALA 134 Cb 0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1gqo h ALA 134 CO -0.13 0.34 0.44 0.28 0.00 0.00 0.00 179.25 180.17 1gqo h VAL 135 N 0.87 1.23 -0.45 0.00 2.07 -0.40 -1.77 116.25 117.80 1gqo h VAL 135 Ca 0.22 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1gqo h VAL 135 Cb 0.05 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1gqo h VAL 135 CO -0.04 0.26 0.26 0.03 0.02 0.00 0.00 177.57 178.10 1gqo h ARG 136 N 1.10 0.61 -0.77 1.57 3.08 -0.30 -2.49 114.38 117.19 1gqo h ARG 136 Ca 0.28 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.28 1gqo h ARG 136 Cb 0.02 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1gqo h ARG 136 CO -0.05 0.46 0.51 -0.92 -1.07 0.00 0.00 179.97 178.90 1gqo h TYR 137 N 0.59 0.96 -0.97 3.04 3.20 -0.76 -1.58 116.97 121.46 1gqo h TYR 137 Ca 0.16 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.21 1gqo h TYR 137 Cb 0.01 -0.32 -0.10 0.00 1.54 0.00 0.00 36.73 37.86 1gqo h TYR 137 CO -0.03 0.60 0.58 -0.07 -1.64 0.00 0.00 178.16 177.60 1gqo h LEU 138 N 1.03 0.77 0.86 2.82 4.07 -1.08 -1.57 115.31 122.22 1gqo h LEU 138 Ca 0.29 0.08 -0.04 0.00 0.08 0.00 0.00 57.88 58.28 1gqo h LEU 138 Cb -0.10 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 41.58 1gqo h LEU 138 CO -0.07 0.33 -0.41 -0.07 -1.08 0.00 0.00 178.44 177.14 1gqo h LEU 139 N 0.80 -0.98 -1.39 1.67 3.38 -1.14 -2.91 115.31 114.75 1gqo h LEU 139 Ca 0.53 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.92 1gqo h LEU 139 Cb 0.72 0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.60 1gqo h LEU 139 CO -0.34 -0.66 0.80 0.77 0.09 0.00 0.00 178.44 179.10 1gqo h SER 140 N -1.24 0.29 0.00 -0.43 4.64 -1.04 -3.52 113.55 112.26 1gqo h SER 140 Ca -0.12 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1gqo h SER 140 Cb 0.88 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1gqo h SER 140 CO 0.19 -0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.04