#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 0.44 0.09 0.54 2.46 -1.26 -3.33 115.29 114.23 1gqo s HIS 2 Ca 0.00 -0.03 0.05 0.00 0.47 0.00 0.00 55.06 55.55 1gqo s HIS 2 Cb 0.00 -0.61 -0.04 0.00 -0.13 0.00 0.00 32.58 31.80 1gqo s HIS 2 CO 0.00 -0.23 0.00 -0.06 -2.47 0.00 0.00 174.74 171.98 1gqo s PHE 3 N 1.68 2.99 -0.21 3.88 2.99 -0.27 -1.23 117.98 127.80 1gqo s PHE 3 Ca -0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 56.93 56.81 1gqo s PHE 3 Cb -0.13 -1.53 -0.04 0.00 0.00 0.00 0.00 43.02 41.32 1gqo s PHE 3 CO -0.03 0.48 0.11 -1.17 -0.00 0.00 0.00 175.22 174.60 1gqo s LEU 4 N -2.33 3.91 -0.46 -0.37 0.20 -0.73 -1.67 118.68 117.24 1gqo s LEU 4 Ca 0.26 0.07 -0.13 0.00 0.69 0.00 0.00 54.13 55.02 1gqo s LEU 4 Cb -0.12 -2.02 0.08 0.00 -0.43 0.00 0.00 46.19 43.70 1gqo s LEU 4 CO 0.18 0.11 0.35 -0.63 -0.29 0.00 0.00 176.35 176.07 1gqo s ILE 5 N 0.79 4.76 -0.29 6.68 -1.09 -0.52 -1.03 121.20 130.50 1gqo s ILE 5 Ca 0.06 -1.28 -0.06 0.00 -2.23 0.00 0.00 60.65 57.13 1gqo s ILE 5 Cb -0.13 -3.90 0.01 0.00 -1.58 0.00 0.00 42.46 36.86 1gqo s ILE 5 CO 0.02 -0.58 0.07 -0.22 -1.23 0.00 0.00 174.94 173.00 1gqo s LEU 6 N 1.53 3.80 -0.14 2.97 0.20 0.29 -1.47 118.68 125.86 1gqo s LEU 6 Ca 0.04 -0.71 -0.01 0.00 0.69 0.00 0.00 54.13 54.14 1gqo s LEU 6 Cb -0.24 -1.87 -0.01 0.00 -0.43 0.00 0.00 46.19 43.63 1gqo s LEU 6 CO 0.04 -0.19 -0.12 0.20 -0.29 0.00 0.00 176.35 175.99 1gqo s ASN 7 N 1.49 4.05 0.91 3.68 0.01 -0.42 -1.58 114.94 123.07 1gqo s ASN 7 Ca 0.02 -0.33 -0.06 0.00 -0.71 0.00 0.00 52.86 51.78 1gqo s ASN 7 Cb -0.17 -1.63 0.09 0.00 0.41 0.00 0.00 41.25 39.95 1gqo s ASN 7 CO 0.02 0.15 0.54 0.61 -1.51 0.00 0.00 177.10 176.91 1gqo n GLY 8 N 3.66 -0.92 3.65 0.66 0.00 0.16 -1.97 105.19 110.43 1gqo n GLY 8 Ca -0.18 -1.74 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 1gqo n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1gqo n PRO 9 N -2.12 1.76 0.00 1.61 -0.01 -0.87 -2.65 135.00 132.72 1gqo n PRO 9 Ca 0.07 0.62 0.00 0.00 -0.01 0.00 0.00 63.50 64.18 1gqo n PRO 9 Cb 0.25 -2.14 0.00 0.00 -0.01 0.00 0.00 33.50 31.59 1gqo n PRO 9 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1gqo n ASN 10 N 1.37 0.00 0.14 2.55 3.02 -1.26 -4.46 115.26 116.62 1gqo n ASN 10 Ca 0.09 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.70 1gqo n ASN 10 Cb 0.33 -0.28 0.54 0.00 -0.61 0.00 0.00 39.78 39.75 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 1.05 0.00 2.41 2.07 -1.88 -0.31 116.25 119.60 1gqo h VAL 11 Ca 0.00 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1gqo h VAL 11 Cb 0.00 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1gqo h VAL 11 CO 0.00 0.05 -0.00 -0.55 0.02 0.00 0.00 177.57 177.09 1gqo h ASN 12 N 0.25 0.00 -0.32 0.57 -1.07 -1.89 -2.69 115.58 110.43 1gqo h ASN 12 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.44 1gqo h ASN 12 Cb -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.24 1gqo h ASN 12 CO -0.01 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.03 1gqo n ARG 13 N -3.35 1.93 -1.64 4.14 5.12 -0.12 -4.70 116.66 118.03 1gqo n ARG 13 Ca -0.03 -1.43 -0.49 0.00 -1.93 0.00 0.00 57.85 53.97 1gqo n ARG 13 Cb 0.07 -1.37 -0.05 0.00 -1.16 0.00 0.00 32.46 29.95 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 0.65 2.56 0.00 0.55 7.94 -1.01 -0.93 117.00 126.75 1gqo n LEU 14 Ca 0.15 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 1gqo n LEU 14 Cb 0.37 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.00 1gqo n LEU 14 CO 0.11 -0.55 0.00 0.61 -1.11 0.00 0.00 177.39 176.46 1gqo n GLY 15 N 3.24 2.42 0.26 -3.96 0.00 -1.25 -4.23 105.19 101.68 1gqo n GLY 15 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 1gqo n GLY 15 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gqo h SER 16 N 0.42 -0.38 -0.08 1.61 0.02 -1.40 -3.45 113.55 110.30 1gqo h SER 16 Ca 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1gqo h SER 16 Cb 0.00 0.34 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1gqo h SER 16 CO 0.00 -0.17 0.00 -2.11 -1.14 0.00 0.00 176.83 173.41 1gqo n ARG 17 N -5.35 1.04 0.00 3.45 1.85 -1.26 -5.08 116.66 111.31 1gqo n ARG 17 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 1gqo n ARG 17 Cb 0.43 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.84 1gqo n ARG 17 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1gqo n GLU 18 N 0.00 0.00 0.26 2.89 0.28 -1.26 -4.86 120.64 117.95 1gqo n GLU 18 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.09 1gqo n GLU 18 Cb 0.00 0.00 0.67 0.00 1.43 0.00 0.00 31.44 33.54 1gqo n GLU 18 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 1gqo h PRO 19 N 0.00 0.00 -0.17 3.44 0.11 -1.93 -1.73 132.00 131.72 1gqo h PRO 19 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.14 1gqo h PRO 19 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1gqo h PRO 19 CO 0.00 0.03 -0.03 0.93 -0.21 0.00 0.00 178.00 178.72 1gqo h GLU 20 N 0.00 0.01 -0.01 1.05 3.07 -1.91 0.60 114.58 117.39 1gqo h GLU 20 Ca -0.00 -0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.64 1gqo h GLU 20 Cb 0.06 -0.00 0.02 0.00 -0.84 0.00 0.00 28.75 27.98 1gqo h GLU 20 CO 0.00 0.01 -0.84 0.28 -1.40 0.00 0.00 179.01 177.07 1gqo h VAL 21 N 0.02 1.34 0.00 3.13 2.07 -1.75 -3.42 116.25 117.64 1gqo h VAL 21 Ca 0.08 -2.15 -0.25 0.00 0.82 0.00 0.00 66.70 65.20 1gqo h VAL 21 Cb 0.12 2.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 1gqo h VAL 21 CO -0.16 0.65 -1.92 0.49 0.02 0.00 0.00 177.57 176.65 1gqo n PHE 22 N -4.02 0.00 0.00 1.57 3.01 -0.73 -4.11 117.46 113.18 1gqo n PHE 22 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1gqo n PHE 22 Cb 0.78 -0.62 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 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 2.60 3.35 0.43 1.37 0.00 0.21 -4.65 105.19 108.50 1gqo n GLY 23 Ca -0.29 -1.53 0.27 0.00 0.00 0.00 0.00 46.02 44.47 1gqo n GLY 23 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gqo h ARG 24 N 0.00 0.28 -7.30 1.61 2.47 -1.91 -3.40 114.38 106.13 1gqo h ARG 24 Ca 0.00 -0.02 -0.51 0.00 -1.26 0.00 0.00 59.98 58.20 1gqo h ARG 24 Cb 0.00 -0.06 0.15 0.00 -1.65 0.00 0.00 29.97 28.41 1gqo h ARG 24 CO 0.00 0.19 0.27 1.14 0.56 0.00 0.00 179.97 182.13 1gqo s GLN 25 N -5.39 1.64 0.47 0.04 -2.07 -1.26 -4.77 119.66 108.30 1gqo s GLN 25 Ca -0.08 1.20 0.08 0.00 -1.82 0.00 0.00 55.36 54.74 1gqo s GLN 25 Cb 0.26 -1.82 0.01 0.00 -1.09 0.00 0.00 33.01 30.37 1gqo s GLN 25 CO 0.80 -2.09 0.47 0.95 -1.32 0.00 0.00 175.29 174.11 1gqo s THR 26 N -2.82 2.43 0.34 3.63 -4.23 -1.26 -3.74 115.64 109.99 1gqo s THR 26 Ca 0.63 -1.27 0.15 0.00 -1.18 0.00 0.00 61.69 60.02 1gqo s THR 26 Cb -0.19 -2.70 0.11 0.00 1.34 0.00 0.00 72.50 71.06 1gqo s THR 26 CO 0.57 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.72 1gqo h LEU 27 N 0.79 0.00 -0.15 4.79 5.85 -1.83 -1.84 115.31 122.91 1gqo h LEU 27 Ca -0.38 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1gqo h LEU 27 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1gqo h LEU 27 CO 0.53 0.37 0.01 0.74 -0.34 0.00 0.00 178.44 179.74 1gqo h THR 28 N 0.00 1.24 -0.46 1.05 2.02 -1.94 -0.70 112.91 114.12 1gqo h THR 28 Ca -0.00 -0.81 0.09 0.00 0.77 0.00 0.00 66.41 66.46 1gqo h THR 28 Cb 0.69 1.48 -0.10 0.00 -1.74 0.00 0.00 68.15 68.48 1gqo h THR 28 CO 0.05 0.24 -0.31 0.44 0.37 0.00 0.00 175.52 176.31 1gqo h ASP 29 N 0.02 -1.05 -0.66 4.18 3.32 -1.78 -0.66 116.42 119.80 1gqo h ASP 29 Ca 0.04 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1gqo h ASP 29 Cb 0.36 0.51 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 1gqo h ASP 29 CO 0.01 -0.30 0.37 0.40 -1.72 0.00 0.00 179.24 177.99 1gqo h ILE 30 N -0.21 1.20 -0.55 0.35 2.04 -0.99 -2.41 117.51 116.94 1gqo h ILE 30 Ca 0.20 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1gqo h ILE 30 Cb 0.53 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1gqo h ILE 30 CO -0.57 0.22 0.35 -0.33 0.00 0.00 0.00 178.15 177.82 1gqo h GLU 31 N 0.90 0.68 -0.39 2.37 5.08 -0.67 -1.49 114.58 121.05 1gqo h GLU 31 Ca 0.23 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1gqo h GLU 31 Cb 0.03 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1gqo h GLU 31 CO -0.04 0.45 0.21 1.15 -1.00 0.00 0.00 179.01 179.78 1gqo h THR 32 N 0.70 1.01 -0.68 1.13 2.02 -0.68 -0.37 112.91 116.03 1gqo h THR 32 Ca 0.21 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 1gqo h THR 32 Cb -0.02 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1gqo h THR 32 CO -0.08 0.08 0.25 0.44 0.37 0.00 0.00 175.52 176.58 1gqo h ASP 33 N 0.43 0.94 -0.38 4.18 5.19 -1.14 -2.49 116.42 123.14 1gqo h ASP 33 Ca 0.16 -0.15 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 1gqo h ASP 33 Cb 0.04 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.29 1gqo h ASP 33 CO -0.10 0.85 -0.05 -0.07 -3.12 0.00 0.00 179.24 176.76 1gqo h LEU 34 N 0.99 0.78 -0.59 1.55 3.38 -0.31 -2.96 115.31 118.14 1gqo h LEU 34 Ca 0.23 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1gqo h LEU 34 Cb 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1gqo h LEU 34 CO -0.02 0.87 0.22 -0.26 0.09 0.00 0.00 178.44 179.35 1gqo h PHE 35 N 0.74 0.92 0.00 1.13 0.05 -0.67 -2.49 116.94 116.61 1gqo h PHE 35 Ca 0.13 -0.08 -0.04 0.00 3.82 0.00 0.00 57.97 61.81 1gqo h PHE 35 Cb 0.52 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.19 1gqo h PHE 35 CO 0.03 0.74 -0.20 1.96 -0.18 0.00 0.00 178.31 180.66 1gqo h GLN 36 N 0.83 0.00 -0.07 1.51 4.20 -1.36 -2.65 115.11 117.56 1gqo h GLN 36 Ca 0.20 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.72 1gqo h GLN 36 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1gqo h GLN 36 CO -0.01 0.20 -0.75 0.35 -0.67 0.00 0.00 178.83 177.95 1gqo h PHE 37 N 0.00 0.55 -0.09 2.96 3.57 -1.35 -3.23 116.94 119.34 1gqo h PHE 37 Ca -0.00 -0.25 -0.03 0.00 3.53 0.00 0.00 57.97 61.22 1gqo h PHE 37 Cb 0.36 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1gqo h PHE 37 CO 0.00 1.01 -0.05 0.00 -2.23 0.00 0.00 178.31 177.04 1gqo h ALA 38 N 0.92 0.13 -0.31 2.41 0.00 -1.10 -1.23 119.26 120.09 1gqo h ALA 38 Ca -0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1gqo h ALA 38 Cb 1.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1gqo h ALA 38 CO 0.13 -0.10 -0.12 1.49 0.00 0.00 0.00 179.25 180.66 1gqo h GLU 39 N -0.17 0.62 0.23 0.00 4.22 -1.62 1.90 114.58 119.76 1gqo h GLU 39 Ca 0.02 -0.26 0.00 0.00 0.08 0.00 0.00 59.36 59.21 1gqo h GLU 39 Cb 0.50 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1gqo h GLU 39 CO 0.01 0.83 -0.49 0.00 -2.18 0.00 0.00 179.01 177.18 1gqo h ALA 40 N 0.77 -1.03 0.00 2.92 0.00 -1.68 0.15 119.26 120.39 1gqo h ALA 40 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1gqo h ALA 40 Cb 0.63 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1gqo h ALA 40 CO 0.04 -1.12 0.00 1.47 0.00 0.00 0.00 179.25 179.64 1gqo n LEU 41 N -5.29 0.00 -3.59 0.00 -0.00 -0.46 -4.88 117.00 102.77 1gqo n LEU 41 Ca -0.09 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.70 1gqo n LEU 41 Cb 0.40 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.87 1gqo n LEU 41 CO 0.18 0.00 -0.04 1.41 -0.00 0.00 0.00 177.39 178.94 1gqo n HIS 42 N -0.54 -2.03 -3.97 1.47 8.25 0.52 -4.99 115.22 113.92 1gqo n HIS 42 Ca 0.01 0.77 -0.09 0.00 -0.26 0.00 0.00 57.72 58.16 1gqo n HIS 42 Cb 0.01 -4.21 -0.08 0.00 1.12 0.00 0.00 29.99 26.82 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 -3.55 0.13 -0.01 1.59 -4.36 0.62 -4.85 121.20 110.77 1gqo s ILE 43 Ca 0.18 -1.47 0.03 0.00 -0.26 0.00 0.00 60.65 59.13 1gqo s ILE 43 Cb -0.04 -1.61 -0.03 0.00 1.25 0.00 0.00 42.46 42.02 1gqo s ILE 43 CO 0.80 -0.60 -0.08 -1.10 0.24 0.00 0.00 174.94 174.20 1gqo s GLN 44 N -3.93 2.55 0.05 0.37 -0.21 -1.21 -3.83 119.66 113.46 1gqo s GLN 44 Ca 0.11 -0.71 0.04 0.00 0.02 0.00 0.00 55.36 54.83 1gqo s GLN 44 Cb 0.06 -2.49 -0.03 0.00 1.00 0.00 0.00 33.01 31.55 1gqo s GLN 44 CO -0.06 0.61 -0.13 -0.51 -2.12 0.00 0.00 175.29 173.08 1gqo s LEU 45 N -1.31 2.23 -0.06 2.90 1.43 -1.26 -1.11 118.68 121.50 1gqo s LEU 45 Ca 0.16 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1gqo s LEU 45 Cb -0.11 -0.48 0.02 0.00 0.03 0.00 0.00 46.19 45.66 1gqo s LEU 45 CO 0.06 -0.06 -0.05 -0.89 0.23 0.00 0.00 176.35 175.65 1gqo s THR 46 N -1.12 0.60 -0.11 5.49 2.01 -0.67 -4.96 115.64 116.88 1gqo s THR 46 Ca -0.02 -0.13 -0.06 0.00 0.31 0.00 0.00 61.69 61.80 1gqo s THR 46 Cb -0.09 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1gqo s THR 46 CO 0.02 0.25 0.11 -0.36 -0.69 0.00 0.00 174.62 173.94 1gqo s PHE 47 N 1.13 3.49 -0.08 4.92 0.40 -1.26 -1.44 117.98 125.13 1gqo s PHE 47 Ca -0.08 0.44 -0.04 0.00 -0.60 0.00 0.00 56.93 56.66 1gqo s PHE 47 Cb -0.14 -1.90 0.04 0.00 0.51 0.00 0.00 43.02 41.53 1gqo s PHE 47 CO -0.01 0.67 0.18 0.12 0.70 0.00 0.00 175.22 176.88 1gqo s PHE 48 N -1.00 -0.22 0.07 0.36 5.36 -0.54 -4.98 117.98 117.02 1gqo s PHE 48 Ca 0.15 0.60 0.09 0.00 -0.96 0.00 0.00 56.93 56.81 1gqo s PHE 48 Cb -0.12 -0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 42.48 1gqo s PHE 48 CO 0.04 -0.20 -0.25 -1.14 -1.46 0.00 0.00 175.22 172.21 1gqo s GLN 49 N 1.31 1.55 0.10 10.12 -0.44 -1.26 -1.31 119.66 129.74 1gqo s GLN 49 Ca -0.08 -1.13 -0.25 0.00 -2.50 0.00 0.00 55.36 51.40 1gqo s GLN 49 Cb -0.11 -1.79 0.07 0.00 -1.64 0.00 0.00 33.01 29.53 1gqo s GLN 49 CO -0.07 0.45 0.60 0.45 0.50 0.00 0.00 175.29 177.23 1gqo s SER 50 N -1.47 -0.57 0.00 6.67 0.15 -0.83 -4.99 113.70 112.66 1gqo s SER 50 Ca 0.11 0.17 0.24 0.00 0.70 0.00 0.00 55.95 57.17 1gqo s SER 50 Cb -0.10 0.57 0.33 0.00 -1.71 0.00 0.00 66.02 65.12 1gqo s SER 50 CO 0.03 -0.86 1.31 0.59 1.20 0.00 0.00 173.24 175.51 1gqo n ASN 51 N -0.02 1.92 -4.57 5.45 3.02 -1.26 -2.05 115.26 117.74 1gqo n ASN 51 Ca -0.18 -1.46 -0.39 0.00 -0.03 0.00 0.00 54.58 52.53 1gqo n ASN 51 Cb 0.63 0.25 -0.10 0.00 -0.61 0.00 0.00 39.78 39.95 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 -2.34 3.22 0.18 3.10 3.76 -1.26 -4.62 115.29 117.34 1gqo s HIS 52 Ca 0.24 0.07 -0.19 0.00 -0.15 0.00 0.00 55.06 55.03 1gqo s HIS 52 Cb 0.19 -2.47 0.13 0.00 1.11 0.00 0.00 32.58 31.54 1gqo s HIS 52 CO 0.48 -0.25 1.62 1.49 -0.85 0.00 0.00 174.74 177.23 1gqo h GLU 53 N 8.38 -0.13 -1.00 1.40 4.81 -2.01 -1.76 114.58 124.28 1gqo h GLU 53 Ca -0.33 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.09 1gqo h GLU 53 Cb 1.17 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 1gqo h GLU 53 CO 0.60 -0.08 0.62 0.78 -0.73 0.00 0.00 179.01 180.19 1gqo h GLY 54 N -0.13 1.70 2.00 1.92 0.00 -1.99 -0.97 103.07 105.60 1gqo h GLY 54 Ca 0.22 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1gqo h GLY 54 CO -0.57 -0.03 -0.33 -0.55 0.00 0.00 0.00 176.54 175.06 1gqo h ASP 55 N 0.77 0.00 0.16 0.19 3.32 -1.75 -0.70 116.42 118.42 1gqo h ASP 55 Ca 0.56 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.35 1gqo h ASP 55 Cb 0.86 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.43 1gqo h ASP 55 CO -0.35 0.33 -1.04 -0.07 -1.72 0.00 0.00 179.24 176.40 1gqo h LEU 56 N 0.00 0.75 -0.77 1.55 3.38 -1.00 -1.93 115.31 117.30 1gqo h LEU 56 Ca -0.00 -0.62 -0.08 0.00 0.09 0.00 0.00 57.88 57.26 1gqo h LEU 56 Cb 0.64 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1gqo h LEU 56 CO 0.04 1.42 0.02 0.40 0.09 0.00 0.00 178.44 180.42 1gqo h ILE 57 N 0.31 1.26 -0.17 1.22 2.04 -1.24 -1.05 117.51 119.88 1gqo h ILE 57 Ca -0.12 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1gqo h ILE 57 Cb 1.69 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1gqo h ILE 57 CO 0.19 0.39 0.06 0.44 0.00 0.00 0.00 178.15 179.23 1gqo h ASP 58 N 0.89 0.23 -0.60 1.72 3.32 -1.06 -2.72 116.42 118.20 1gqo h ASP 58 Ca 0.17 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1gqo h ASP 58 Cb 0.49 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1gqo h ASP 58 CO 0.02 0.34 0.39 0.00 -1.72 0.00 0.00 179.24 178.27 1gqo h ALA 59 N 0.90 0.76 -0.18 3.45 0.00 -1.03 -2.21 119.26 120.95 1gqo h ALA 59 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gqo h ALA 59 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1gqo h ALA 59 CO -0.00 0.22 0.12 0.82 0.00 0.00 0.00 179.25 180.40 1gqo h ILE 60 N 0.82 1.07 -0.75 0.00 2.04 -1.20 -0.80 117.51 118.68 1gqo h ILE 60 Ca 0.22 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 66.01 1gqo h ILE 60 Cb -0.07 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1gqo h ILE 60 CO -0.05 0.06 0.42 0.45 0.00 0.00 0.00 178.15 179.03 1gqo h HIS 61 N 0.23 0.76 0.00 1.37 3.86 -1.45 -2.49 115.15 117.43 1gqo h HIS 61 Ca 0.07 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1gqo h HIS 61 Cb 0.00 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1gqo h HIS 61 CO -0.06 0.33 -0.12 0.93 0.86 0.00 0.00 177.93 179.87 1gqo h GLU 62 N 0.73 0.00 -0.58 2.45 5.08 -1.21 -3.35 114.58 117.69 1gqo h GLU 62 Ca 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1gqo h GLU 62 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1gqo h GLU 62 CO -0.22 0.00 0.29 0.00 -1.00 0.00 0.00 179.01 178.08 1gqo h ALA 63 N 2.27 1.43 -1.04 3.43 0.00 -0.66 -3.17 119.26 121.51 1gqo h ALA 63 Ca 0.00 -0.11 0.28 0.00 0.00 0.00 0.00 54.91 55.08 1gqo h ALA 63 Cb 0.87 -0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 1gqo h ALA 63 CO 0.00 0.46 0.65 1.49 0.00 0.00 0.00 179.25 181.85 1gqo h GLU 64 N 0.81 0.42 -0.45 0.00 4.57 -1.71 0.16 114.58 118.39 1gqo h GLU 64 Ca 0.20 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1gqo h GLU 64 Cb 0.06 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1gqo h GLU 64 CO -0.03 0.28 0.00 0.39 -1.18 0.00 0.00 179.01 178.47 1gqo n GLU 65 N -4.76 2.30 0.00 1.92 1.02 -1.20 -4.52 120.64 115.40 1gqo n GLU 65 Ca 0.27 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.42 1gqo n GLU 65 Cb 0.88 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 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 1.15 3.66 -4.49 3.49 7.27 -0.02 -5.13 117.38 123.31 1gqo n GLN 66 Ca 0.19 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 57.03 1gqo n GLN 66 Cb 0.50 -0.53 -0.11 0.00 2.41 0.00 0.00 30.24 32.51 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 -0.47 2.14 -1.63 3.69 1.51 0.37 -4.85 117.35 118.10 1gqo s TYR 67 Ca 0.00 -0.76 0.14 0.00 -1.01 0.00 0.00 57.07 55.44 1gqo s TYR 67 Cb 0.00 -1.36 0.17 0.00 -0.11 0.00 0.00 41.96 40.66 1gqo s TYR 67 CO 0.00 0.26 1.02 -1.13 -1.11 0.00 0.00 175.55 174.59 1gqo n SER 68 N -0.73 2.38 -3.64 2.29 3.41 -0.36 -4.76 113.62 112.20 1gqo n SER 68 Ca -0.04 -1.67 -0.02 0.00 -0.26 0.00 0.00 58.87 56.88 1gqo n SER 68 Cb 0.65 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.13 -0.07 -0.02 5.00 0.00 -1.26 -4.39 107.32 105.45 1gqo s GLY 69 Ca 0.19 2.32 0.04 0.00 0.00 0.00 0.00 44.72 47.28 1gqo s GLY 69 CO 0.18 0.84 -0.14 -0.42 0.00 0.00 0.00 173.10 173.56 1gqo s ILE 70 N -1.60 1.15 -0.29 0.90 1.01 -0.89 -1.77 121.20 119.70 1gqo s ILE 70 Ca 0.11 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 1gqo s ILE 70 Cb -0.01 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 1gqo s ILE 70 CO -0.05 0.33 0.11 -0.69 0.00 0.00 0.00 174.94 174.64 1gqo s VAL 71 N -0.11 4.30 -0.21 2.92 1.01 -0.20 -1.21 120.40 126.90 1gqo s VAL 71 Ca 0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1gqo s VAL 71 Cb -0.08 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1gqo s VAL 71 CO 0.00 0.13 -0.09 -0.22 0.00 0.00 0.00 175.10 174.92 1gqo s LEU 72 N 1.57 2.74 -0.72 3.92 2.96 -0.21 -0.55 118.68 128.39 1gqo s LEU 72 Ca 0.04 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1gqo s LEU 72 Cb -0.17 -1.65 0.18 0.00 0.50 0.00 0.00 46.19 45.06 1gqo s LEU 72 CO 0.04 -0.04 0.56 0.21 -1.32 0.00 0.00 176.35 175.81 1gqo s ASN 73 N 1.39 5.58 0.00 3.68 3.84 -0.62 -0.68 114.94 128.14 1gqo s ASN 73 Ca 0.04 -3.06 0.24 0.00 0.21 0.00 0.00 52.86 50.29 1gqo s ASN 73 Cb -0.14 -1.91 1.43 0.00 -0.55 0.00 0.00 41.25 40.08 1gqo s ASN 73 CO -0.06 -0.34 1.86 -0.81 -2.79 0.00 0.00 177.10 174.95 1gqo n PRO 74 N 3.24 0.89 0.00 0.43 -0.04 -1.26 0.36 135.00 138.62 1gqo n PRO 74 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1gqo n PRO 74 Cb 0.39 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.72 0.53 0.21 0.55 0.00 -1.26 -3.05 105.19 102.88 1gqo n GLY 75 Ca 0.18 -0.81 0.14 0.00 0.00 0.00 0.00 46.02 45.53 1gqo n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqo h ALA 76 N -0.73 1.00 -0.52 4.61 0.00 -1.95 -2.44 119.26 119.23 1gqo h ALA 76 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1gqo h ALA 76 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1gqo h ALA 76 CO 0.00 0.00 0.42 -0.07 0.00 0.00 0.00 179.25 179.60 1gqo h LEU 77 N 0.00 0.00 -1.56 0.00 3.38 -1.91 -2.04 115.31 113.18 1gqo h LEU 77 Ca 0.00 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.23 1gqo h LEU 77 Cb 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1gqo h LEU 77 CO 0.00 0.00 0.68 -1.28 0.09 0.00 0.00 178.44 177.93 1gqo h SER 78 N 0.00 0.33 0.77 -0.43 0.87 -1.60 -1.37 113.55 112.11 1gqo h SER 78 Ca 0.25 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1gqo h SER 78 Cb 1.08 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1gqo h SER 78 CO -0.00 0.08 -0.21 1.41 -0.53 0.00 0.00 176.83 177.59 1gqo n HIS 79 N -4.50 0.00 -0.60 2.24 8.25 -0.77 -1.10 115.22 118.74 1gqo n HIS 79 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1gqo n HIS 79 Cb 0.90 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 -1.48 0.00 -2.73 4.41 0.18 -0.95 -4.72 117.16 111.88 1gqo n TYR 80 Ca 0.07 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.42 1gqo n TYR 80 Cb 0.33 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.29 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 0.59 9.48 0.15 -0.56 -4.78 113.70 125.40 1gqo s SER 81 Ca 0.00 -2.37 0.31 0.00 0.70 0.00 0.00 55.95 54.59 1gqo s SER 81 Cb 0.00 -2.50 1.81 0.00 -1.71 0.00 0.00 66.02 63.63 1gqo s SER 81 CO 0.00 -1.09 2.23 1.88 1.20 0.00 0.00 173.24 177.46 1gqo h TYR 82 N 8.03 0.00 -0.37 3.44 -1.99 -1.91 -2.04 116.97 122.13 1gqo h TYR 82 Ca 0.32 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.97 1gqo h TYR 82 Cb 0.92 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.63 1gqo h TYR 82 CO 1.27 0.02 -0.12 0.00 -0.00 0.00 0.00 178.16 179.33 1gqo h ALA 83 N 1.98 1.10 0.00 3.88 0.00 -1.99 -1.13 119.26 123.10 1gqo h ALA 83 Ca -0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 1gqo h ALA 83 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1gqo h ALA 83 CO 0.00 0.56 -0.78 0.82 0.00 0.00 0.00 179.25 179.85 1gqo h ILE 84 N 0.59 1.36 0.64 0.00 2.04 -1.78 -1.80 117.51 118.55 1gqo h ILE 84 Ca 0.10 -2.86 -0.03 0.00 1.00 0.00 0.00 64.86 63.08 1gqo h ILE 84 Cb 0.55 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1gqo h ILE 84 CO 0.03 0.76 -0.35 -0.09 0.00 0.00 0.00 178.15 178.51 1gqo h ARG 85 N 0.00 -0.88 -0.20 2.37 2.43 -1.02 -1.53 114.38 115.56 1gqo h ARG 85 Ca -0.01 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1gqo h ARG 85 Cb 1.57 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 31.31 1gqo h ARG 85 CO 0.10 -0.58 -0.05 -0.44 -1.51 0.00 0.00 179.97 177.49 1gqo h ASP 86 N -0.91 0.27 -0.12 -3.80 3.32 -1.09 -1.99 116.42 112.10 1gqo h ASP 86 Ca -0.08 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1gqo h ASP 86 Cb 0.72 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1gqo h ASP 86 CO 0.11 0.37 0.05 0.00 -1.72 0.00 0.00 179.24 178.05 1gqo h ALA 87 N 1.67 0.16 -0.99 3.45 0.00 -0.80 -2.35 119.26 120.40 1gqo h ALA 87 Ca 0.06 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1gqo h ALA 87 Cb 0.28 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1gqo h ALA 87 CO 0.01 -0.26 0.64 0.28 0.00 0.00 0.00 179.25 179.92 1gqo h VAL 88 N 0.04 1.26 -0.06 0.00 2.07 -0.59 -2.27 116.25 116.70 1gqo h VAL 88 Ca 0.04 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1gqo h VAL 88 Cb 0.17 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 1gqo h VAL 88 CO -0.00 0.26 -0.18 0.28 0.02 0.00 0.00 177.57 177.95 1gqo h SER 89 N 1.35 0.09 -0.01 0.57 0.02 -1.30 -2.94 113.55 111.33 1gqo h SER 89 Ca 0.36 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1gqo h SER 89 Cb -0.13 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1gqo h SER 89 CO -0.08 0.28 0.00 -1.54 -1.14 0.00 0.00 176.83 174.36 1gqo n SER 90 N -4.28 0.57 -4.63 3.07 3.41 -0.86 -4.88 113.62 106.02 1gqo n SER 90 Ca -0.02 -1.20 -0.23 0.00 -0.26 0.00 0.00 58.87 57.16 1gqo n SER 90 Cb 0.27 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.00 3.13 -0.49 -1.33 -4.36 -1.11 -5.06 121.20 109.97 1gqo s ILE 91 Ca 0.44 -1.96 0.23 0.00 -0.26 0.00 0.00 60.65 59.10 1gqo s ILE 91 Cb 0.21 -2.78 -0.09 0.00 1.25 0.00 0.00 42.46 41.06 1gqo s ILE 91 CO 0.35 -0.32 1.03 -1.54 0.24 0.00 0.00 174.94 174.70 1gqo n SER 92 N -0.90 0.62 -4.77 4.36 3.41 -1.26 -4.94 113.62 110.13 1gqo n SER 92 Ca -0.05 -0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.15 1gqo n SER 92 Cb 0.60 0.74 -0.01 0.00 -0.26 0.00 0.00 64.21 65.27 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 -4.30 3.99 0.21 1.04 1.43 -1.26 -5.01 118.68 114.78 1gqo s LEU 93 Ca 0.02 2.24 -0.31 0.00 -1.03 0.00 0.00 54.13 55.05 1gqo s LEU 93 Cb 0.13 -4.28 -0.11 0.00 0.03 0.00 0.00 46.19 41.96 1gqo s LEU 93 CO 0.80 -0.89 1.60 -2.16 0.23 0.00 0.00 176.35 175.93 1gqo s PRO 94 N -2.76 4.18 0.13 1.29 0.04 -1.26 -4.91 135.00 131.71 1gqo s PRO 94 Ca 0.64 2.46 0.10 0.00 0.04 0.00 0.00 61.00 64.24 1gqo s PRO 94 Cb -0.27 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1gqo s PRO 94 CO 0.32 -0.63 -0.25 0.08 0.04 0.00 0.00 177.00 176.56 1gqo s VAL 95 N 0.86 2.15 -0.11 -0.36 1.01 -1.26 -2.10 120.40 120.59 1gqo s VAL 95 Ca 0.69 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1gqo s VAL 95 Cb -0.46 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1gqo s VAL 95 CO 0.35 0.04 -0.13 -0.69 0.00 0.00 0.00 175.10 174.67 1gqo s VAL 96 N -1.14 1.36 -0.01 2.92 1.01 -0.35 -1.59 120.40 122.60 1gqo s VAL 96 Ca 0.13 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1gqo s VAL 96 Cb -0.10 -1.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 1gqo s VAL 96 CO 0.06 0.41 0.42 -0.70 0.00 0.00 0.00 175.10 175.30 1gqo s GLU 97 N 1.10 3.99 -0.03 2.72 2.12 -0.47 -1.04 118.70 127.08 1gqo s GLU 97 Ca -0.05 0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.72 1gqo s GLU 97 Cb -0.14 -3.25 0.02 0.00 0.26 0.00 0.00 34.13 31.02 1gqo s GLU 97 CO -0.03 0.62 -0.03 0.08 -0.54 0.00 0.00 175.26 175.37 1gqo s VAL 98 N -0.87 0.39 -0.02 3.70 1.01 0.14 -1.27 120.40 123.48 1gqo s VAL 98 Ca 0.24 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1gqo s VAL 98 Cb -0.17 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1gqo s VAL 98 CO 0.13 0.18 -0.17 -1.00 0.00 0.00 0.00 175.10 174.25 1gqo s HIS 99 N 0.83 1.51 -0.09 5.22 3.76 -0.65 -3.99 115.29 121.88 1gqo s HIS 99 Ca -0.10 -0.30 -0.25 0.00 -0.15 0.00 0.00 55.06 54.26 1gqo s HIS 99 Cb -0.13 -0.98 -0.21 0.00 1.11 0.00 0.00 32.58 32.38 1gqo s HIS 99 CO -0.00 -0.04 0.87 -0.07 -0.85 0.00 0.00 174.74 174.65 1gqo h LEU 100 N 5.77 -0.03-10.51 0.89 4.07 -1.86 -2.55 115.31 111.09 1gqo h LEU 100 Ca -0.36 -0.68 -0.48 0.00 0.08 0.00 0.00 57.88 56.44 1gqo h LEU 100 Cb 1.15 0.01 0.10 0.00 1.08 0.00 0.00 40.66 43.00 1gqo h LEU 100 CO 0.48 0.72 0.38 -0.94 -1.08 0.00 0.00 178.44 178.00 1gqo s SER 101 N -5.90 4.69 -0.92 -0.43 1.04 -1.26 -1.17 113.70 109.74 1gqo s SER 101 Ca -0.16 1.04 -0.23 0.00 0.48 0.00 0.00 55.95 57.08 1gqo s SER 101 Cb -0.01 -1.71 0.06 0.00 0.10 0.00 0.00 66.02 64.46 1gqo s SER 101 CO 0.60 -1.82 1.34 0.21 0.98 0.00 0.00 173.24 174.56 1gqo s ASN 102 N -4.28 6.42 0.30 7.02 3.84 -1.26 -1.89 114.94 125.09 1gqo s ASN 102 Ca 0.61 -1.27 0.03 0.00 0.21 0.00 0.00 52.86 52.44 1gqo s ASN 102 Cb -0.12 -2.54 0.62 0.00 -0.55 0.00 0.00 41.25 38.66 1gqo s ASN 102 CO 0.52 -1.52 1.85 -0.07 -2.79 0.00 0.00 177.10 175.08 1gqo h LEU 103 N 12.46 0.87 -2.60 3.21 3.38 -1.91 -0.32 115.31 130.39 1gqo h LEU 103 Ca 0.05 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1gqo h LEU 103 Cb 1.02 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1gqo h LEU 103 CO 1.34 0.46 -0.01 1.88 0.09 0.00 0.00 178.44 182.20 1gqo h TYR 104 N 0.93 0.00 -0.04 1.13 -1.99 -1.88 0.04 116.97 115.16 1gqo h TYR 104 Ca 0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.21 1gqo h TYR 104 Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 1gqo h TYR 104 CO -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 178.16 178.17 1gqo n ALA 105 N -2.11 2.55 -2.50 3.88 0.00 -0.13 -4.95 120.51 117.25 1gqo n ALA 105 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1gqo n ALA 105 Cb 0.13 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.42 3.69 -1.71 0.00 1.74 -0.00 -5.07 116.66 115.72 1gqo n ARG 106 Ca 0.18 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.87 1gqo n ARG 106 Cb 0.40 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.89 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 0.00 1.48 -0.34 5.56 4.71 -1.26 -4.90 120.64 125.89 1gqo n GLU 107 Ca 0.00 0.55 0.07 0.00 -0.01 0.00 0.00 57.16 57.77 1gqo n GLU 107 Cb 0.00 -2.47 0.23 0.00 -1.01 0.00 0.00 31.44 28.19 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 1.19 0.87 -0.05 3.49 4.81 -1.95 -1.21 114.58 121.73 1gqo h GLU 108 Ca -0.50 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.69 1gqo h GLU 108 Cb 1.32 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 1gqo h GLU 108 CO 0.56 0.58 0.05 0.27 -0.73 0.00 0.00 179.01 179.73 1gqo h PHE 109 N 0.90 0.00 0.00 0.92 -5.15 -1.97 -1.16 116.94 110.47 1gqo h PHE 109 Ca 0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.26 1gqo h PHE 109 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.70 1gqo h PHE 109 CO -0.02 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 176.83 1gqo n ARG 110 N -3.97 0.95 -0.04 6.09 1.74 -0.46 -3.94 116.66 117.03 1gqo n ARG 110 Ca -0.02 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.18 1gqo n ARG 110 Cb 0.14 -1.34 0.47 0.00 -1.02 0.00 0.00 32.46 30.71 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 -0.84 0.11 -4.25 -1.55 8.25 -0.44 -4.69 115.22 111.80 1gqo n HIS 111 Ca 0.15 -0.05 -0.18 0.00 -0.26 0.00 0.00 57.72 57.38 1gqo n HIS 111 Cb 0.07 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.89 0.69 -0.15 -0.41 0.00 -1.25 -5.01 119.66 111.63 1gqo s GLN 112 Ca 0.35 -0.22 -0.05 0.00 -0.00 0.00 0.00 55.36 55.44 1gqo s GLN 112 Cb 0.19 -0.67 -0.04 0.00 0.00 0.00 0.00 33.01 32.50 1gqo s GLN 112 CO 0.30 0.09 0.02 0.45 0.00 0.00 0.00 175.29 176.15 1gqo s SER 113 N 0.16 5.33 0.04 12.60 0.15 -1.26 -4.19 113.70 126.53 1gqo s SER 113 Ca -0.02 0.05 0.26 0.00 0.70 0.00 0.00 55.95 56.95 1gqo s SER 113 Cb -0.07 -1.81 0.76 0.00 -1.71 0.00 0.00 66.02 63.20 1gqo s SER 113 CO -0.00 0.23 1.61 1.33 1.20 0.00 0.00 173.24 177.61 1gqo n VAL 114 N 3.16 0.13 0.03 4.45 0.24 -0.26 -3.79 118.33 122.28 1gqo n VAL 114 Ca -0.17 -0.08 -0.18 0.00 -2.04 0.00 0.00 64.34 61.87 1gqo n VAL 114 Cb 0.53 -0.16 -0.14 0.00 -1.47 0.00 0.00 33.84 32.59 1gqo n VAL 114 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1gqo h ILE 115 N 0.00 0.88 -0.34 1.34 2.04 -1.86 -3.41 117.51 116.14 1gqo h ILE 115 Ca 0.00 -2.58 0.03 0.00 1.00 0.00 0.00 64.86 63.31 1gqo h ILE 115 Cb 0.57 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 39.24 1gqo h ILE 115 CO 0.00 0.79 0.23 0.00 0.00 0.00 0.00 178.15 179.17 1gqo h ALA 116 N 0.39 1.90 -0.88 1.87 0.00 -1.92 -2.43 119.26 118.20 1gqo h ALA 116 Ca -0.33 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 54.79 1gqo h ALA 116 Cb 2.03 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.68 1gqo h ALA 116 CO 0.12 0.05 0.60 -1.35 0.00 0.00 0.00 179.25 178.68 1gqo h PRO 117 N 0.34 0.23 -0.01 0.00 0.11 -1.80 -2.20 132.00 128.66 1gqo h PRO 117 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1gqo h PRO 117 Cb 0.15 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1gqo h PRO 117 CO -0.03 0.15 -0.26 1.33 -0.21 0.00 0.00 178.00 178.98 1gqo n VAL 118 N -4.42 0.00 -2.44 3.15 0.24 -0.92 -4.98 118.33 108.96 1gqo n VAL 118 Ca 0.18 -0.37 -0.24 0.00 -2.04 0.00 0.00 64.34 61.87 1gqo n VAL 118 Cb 0.79 1.24 0.08 0.00 -1.47 0.00 0.00 33.84 34.48 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 -1.82 3.49 0.14 2.33 0.00 -0.83 -4.74 121.76 120.33 1gqo s ALA 119 Ca 0.15 -1.35 -0.16 0.00 0.00 0.00 0.00 51.96 50.61 1gqo s ALA 119 Cb 0.14 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 21.02 1gqo s ALA 119 CO 0.37 -1.29 1.72 0.87 0.00 0.00 0.00 175.76 177.42 1gqo h LYS 120 N -0.47 0.61 0.00 0.00 1.79 -1.58 -3.49 116.57 113.44 1gqo h LYS 120 Ca -0.41 -0.09 0.12 0.00 -2.18 0.00 0.00 60.65 58.09 1gqo h LYS 120 Cb 1.29 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.80 1gqo h LYS 120 CO 0.49 0.53 0.32 0.41 -1.08 0.00 0.00 179.45 180.12 1gqo n GLY 121 N -0.89 0.51 3.17 3.86 0.00 -1.25 -5.08 105.19 105.50 1gqo n GLY 121 Ca 0.01 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.01 0.56 -0.08 1.61 0.74 -1.26 -1.37 119.66 117.86 1gqo s GLN 122 Ca 0.11 -0.29 -0.00 0.00 0.05 0.00 0.00 55.36 55.23 1gqo s GLN 122 Cb -0.00 0.24 0.02 0.00 1.10 0.00 0.00 33.01 34.37 1gqo s GLN 122 CO -0.00 -0.14 -0.05 0.42 -0.55 0.00 0.00 175.29 174.97 1gqo s ILE 123 N -1.32 0.72 -0.02 -2.34 1.01 -0.40 -4.94 121.20 113.92 1gqo s ILE 123 Ca -0.14 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1gqo s ILE 123 Cb -0.06 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.63 1gqo s ILE 123 CO 0.03 0.30 -0.07 -0.69 0.00 0.00 0.00 174.94 174.51 1gqo s VAL 124 N 1.51 0.58 0.00 2.92 1.01 -1.26 -1.64 120.40 123.52 1gqo s VAL 124 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1gqo s VAL 124 Cb -0.13 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1gqo s VAL 124 CO -0.04 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1gqo n GLY 125 N 3.21 0.98 1.94 4.51 0.00 -0.79 -4.85 105.19 110.20 1gqo n GLY 125 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 5.86 0.00 0.99 4.77 -1.21 -4.49 117.00 122.93 1gqo n LEU 126 Ca 0.00 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 52.91 1gqo n LEU 126 Cb 0.00 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1gqo n LEU 126 CO 0.00 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1gqo n GLY 127 N -0.36 0.88 0.30 -0.72 0.00 -0.32 -3.35 105.19 101.62 1gqo n GLY 127 Ca 0.42 -0.74 0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.66 1.20 -0.07 4.61 0.00 -1.85 -2.32 119.26 120.18 1gqo h ALA 128 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1gqo h ALA 128 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gqo h ALA 128 CO 0.00 0.04 0.10 1.49 0.00 0.00 0.00 179.25 180.89 1gqo h GLU 129 N 0.00 0.00 0.00 0.00 4.57 -1.98 -1.87 114.58 115.30 1gqo h GLU 129 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1gqo h GLU 129 Cb 0.15 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1gqo h GLU 129 CO 0.00 0.00 -0.03 0.78 -1.18 0.00 0.00 179.01 178.59 1gqo h GLY 130 N 0.00 0.00 1.30 1.92 0.00 -1.45 0.23 103.07 105.07 1gqo h GLY 130 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 1gqo h GLY 130 CO -0.00 0.00 -0.08 -0.97 0.00 0.00 0.00 176.54 175.49 1gqo h TYR 131 N 0.00 0.91 -0.12 5.60 -1.99 -1.57 -1.44 116.97 118.36 1gqo h TYR 131 Ca -0.00 -0.16 -0.21 0.00 2.00 0.00 0.00 58.73 60.36 1gqo h TYR 131 Cb 0.05 -0.24 0.01 0.00 2.00 0.00 0.00 36.73 38.55 1gqo h TYR 131 CO 0.00 0.87 -0.78 0.87 -0.00 0.00 0.00 178.16 179.12 1gqo h LYS 132 N 0.76 0.66 -0.70 4.88 1.57 -0.80 -1.03 116.57 121.91 1gqo h LYS 132 Ca 0.13 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1gqo h LYS 132 Cb 0.57 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1gqo h LYS 132 CO 0.03 1.17 0.44 -0.07 -0.57 0.00 0.00 179.45 180.45 1gqo h LEU 133 N 0.44 0.82 -0.31 2.94 3.38 -0.76 0.05 115.31 121.88 1gqo h LEU 133 Ca -0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1gqo h LEU 133 Cb 1.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1gqo h LEU 133 CO 0.15 0.62 0.11 0.00 0.09 0.00 0.00 178.44 179.41 1gqo h ALA 134 N 1.24 0.40 -0.56 1.53 0.00 -1.06 -0.79 119.26 120.02 1gqo h ALA 134 Ca 0.25 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1gqo h ALA 134 Cb -0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1gqo h ALA 134 CO -0.05 0.01 0.32 0.28 0.00 0.00 0.00 179.25 179.81 1gqo h VAL 135 N 0.34 1.02 -0.71 0.00 2.07 -0.51 -1.87 116.25 116.60 1gqo h VAL 135 Ca 0.10 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1gqo h VAL 135 Cb 0.21 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1gqo h VAL 135 CO -0.01 0.11 0.42 0.03 0.02 0.00 0.00 177.57 178.15 1gqo h ARG 136 N 0.63 0.76 -0.99 1.57 3.08 -0.31 0.17 114.38 119.28 1gqo h ARG 136 Ca 0.23 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.25 1gqo h ARG 136 Cb 0.07 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 1gqo h ARG 136 CO -0.12 0.50 0.66 -0.92 -1.07 0.00 0.00 179.97 179.02 1gqo h TYR 137 N 0.78 1.25 -0.23 3.04 3.20 -0.65 0.17 116.97 124.52 1gqo h TYR 137 Ca 0.31 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.14 1gqo h TYR 137 Cb 0.14 -0.42 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 1gqo h TYR 137 CO -0.06 0.78 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.05 1gqo h LEU 138 N 1.34 0.51 -0.13 2.82 4.07 -0.49 -2.38 115.31 121.05 1gqo h LEU 138 Ca 0.37 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1gqo h LEU 138 Cb -0.15 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.44 1gqo h LEU 138 CO -0.08 0.81 0.08 -0.07 -1.08 0.00 0.00 178.44 178.10 1gqo h LEU 139 N 0.21 0.13 -2.12 1.67 3.38 -0.25 -2.29 115.31 116.04 1gqo h LEU 139 Ca 0.05 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1gqo h LEU 139 Cb 0.62 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1gqo h LEU 139 CO 0.04 0.09 0.28 0.77 0.09 0.00 0.00 178.44 179.71 1gqo h SER 140 N 0.16 0.00 0.49 -0.43 4.64 -0.53 -3.28 113.55 114.60 1gqo h SER 140 Ca 0.05 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.13 1gqo h SER 140 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1gqo h SER 140 CO -0.02 0.00 -1.03 1.56 -0.87 0.00 0.00 176.83 176.46 1gqo h GLN 141 N 0.00 0.32 -0.64 4.77 1.08 -0.88 -3.51 115.11 116.25 1gqo h GLN 141 Ca 0.14 -0.40 -0.14 0.00 -1.45 0.00 0.00 58.65 56.79 1gqo h GLN 141 Cb 0.70 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.23 1gqo h GLN 141 CO -0.00 1.12 -0.15 0.00 -0.95 0.00 0.00 178.83 178.84 1gqo n GLN 142 N -3.65 -0.51 0.00 1.46 -0.00 -1.24 -5.10 117.38 108.35 1gqo n GLN 142 Ca -0.07 0.54 0.15 0.00 -0.00 0.00 0.00 57.00 57.62 1gqo n GLN 142 Cb 0.90 -4.37 0.89 0.00 -0.00 0.00 0.00 30.24 27.65 1gqo n GLN 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47