#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 2.97 0.22 0.54 2.46 -1.25 -1.02 115.29 119.22 1gqo s HIS 2 Ca 0.00 -1.68 0.09 0.00 0.47 0.00 0.00 55.06 53.94 1gqo s HIS 2 Cb 0.00 -1.98 -0.04 0.00 -0.13 0.00 0.00 32.58 30.43 1gqo s HIS 2 CO 0.00 -0.77 -0.01 -0.06 -2.47 0.00 0.00 174.74 171.43 1gqo s PHE 3 N 1.28 2.75 -0.15 3.88 2.99 0.41 -1.91 117.98 127.22 1gqo s PHE 3 Ca 0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 56.93 56.68 1gqo s PHE 3 Cb -0.15 -1.27 -0.04 0.00 0.00 0.00 0.00 43.02 41.55 1gqo s PHE 3 CO -0.08 0.57 0.10 -1.17 -0.00 0.00 0.00 175.22 174.64 1gqo s LEU 4 N -3.32 4.09 -0.42 -0.37 0.20 -1.03 -1.30 118.68 116.53 1gqo s LEU 4 Ca 0.29 0.26 -0.08 0.00 0.69 0.00 0.00 54.13 55.29 1gqo s LEU 4 Cb -0.08 -2.02 0.09 0.00 -0.43 0.00 0.00 46.19 43.75 1gqo s LEU 4 CO 0.19 0.28 0.25 -0.63 -0.29 0.00 0.00 176.35 176.15 1gqo s ILE 5 N -0.26 4.03 -0.30 6.68 -1.09 -0.10 -1.58 121.20 128.59 1gqo s ILE 5 Ca 0.10 -1.55 -0.08 0.00 -2.23 0.00 0.00 60.65 56.89 1gqo s ILE 5 Cb -0.12 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1gqo s ILE 5 CO 0.01 -0.55 0.10 -0.22 -1.23 0.00 0.00 174.94 173.05 1gqo s LEU 6 N 1.37 3.89 -0.10 2.97 0.20 0.31 -1.81 118.68 125.52 1gqo s LEU 6 Ca 0.04 -0.60 0.02 0.00 0.69 0.00 0.00 54.13 54.28 1gqo s LEU 6 Cb -0.23 -1.92 -0.01 0.00 -0.43 0.00 0.00 46.19 43.59 1gqo s LEU 6 CO 0.01 -0.18 -0.17 0.20 -0.29 0.00 0.00 176.35 175.92 1gqo s ASN 7 N 1.55 3.74 0.36 3.68 0.01 -0.33 -1.26 114.94 122.69 1gqo s ASN 7 Ca 0.04 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 1gqo s ASN 7 Cb -0.17 -1.29 0.00 0.00 0.41 0.00 0.00 41.25 40.21 1gqo s ASN 7 CO 0.04 0.22 0.00 0.61 -1.51 0.00 0.00 177.10 176.46 1gqo n GLY 8 N 3.15 0.39 3.73 0.66 0.00 0.15 -1.80 105.19 111.48 1gqo n GLY 8 Ca -0.18 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.70 1.87 -0.16 1.61 -0.04 -1.07 -2.60 135.00 133.90 1gqo n PRO 9 Ca 0.00 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1gqo n PRO 9 Cb 0.00 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 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 -0.48 0.00 0.26 3.54 3.02 -1.26 -4.44 115.26 115.89 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 0.43 -1.53 0.64 0.00 -0.61 0.00 0.00 39.78 38.71 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 0.98 0.00 2.41 2.07 -1.88 -1.04 116.25 118.79 1gqo h VAL 11 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1gqo h VAL 11 Cb 0.00 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1gqo h VAL 11 CO 0.00 0.02 0.00 -0.46 0.02 0.00 0.00 177.57 177.15 1gqo n ASN 12 N -4.47 0.60 -0.60 0.57 6.94 -1.26 -2.55 115.26 114.48 1gqo n ASN 12 Ca -0.03 0.69 0.13 0.00 -0.02 0.00 0.00 54.58 55.35 1gqo n ASN 12 Cb 0.11 -0.80 0.42 0.00 -2.36 0.00 0.00 39.78 37.14 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 -2.21 1.82 -1.36 -3.83 5.12 -0.39 -4.71 116.66 111.11 1gqo n ARG 13 Ca 0.01 -1.20 -0.53 0.00 -1.93 0.00 0.00 57.85 54.20 1gqo n ARG 13 Cb 0.16 -1.46 -0.11 0.00 -1.16 0.00 0.00 32.46 29.88 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 0.45 1.03 0.00 0.55 4.32 -1.06 -2.53 117.00 119.76 1gqo n LEU 14 Ca 0.18 0.46 0.00 0.00 -0.02 0.00 0.00 56.01 56.63 1gqo n LEU 14 Cb 0.40 -1.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.19 1gqo n LEU 14 CO 0.16 -0.78 0.00 0.61 -1.22 0.00 0.00 177.39 176.15 1gqo n GLY 15 N 7.02 2.85 0.31 -0.72 0.00 -1.26 -4.17 105.19 109.22 1gqo n GLY 15 Ca 0.53 -0.51 0.18 0.00 0.00 0.00 0.00 46.02 46.22 1gqo n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gqo h SER 16 N 2.00 0.00 -2.99 1.61 4.64 -1.89 -3.46 113.55 113.46 1gqo h SER 16 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1gqo h SER 16 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1gqo h SER 16 CO 0.00 0.01 0.02 -2.11 -0.87 0.00 0.00 176.83 173.88 1gqo n ARG 17 N -3.53 0.65 -1.41 4.77 1.85 -1.26 -5.08 116.66 112.65 1gqo n ARG 17 Ca -0.03 -1.89 0.00 0.00 -1.00 0.00 0.00 57.85 54.93 1gqo n ARG 17 Cb 0.10 2.02 0.00 0.00 -1.05 0.00 0.00 32.46 33.52 1gqo n ARG 17 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1gqo n GLU 18 N -0.41 0.00 0.11 2.89 2.13 -1.26 -4.81 120.64 119.29 1gqo n GLU 18 Ca -0.02 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.91 1gqo n GLU 18 Cb 0.44 0.00 0.47 0.00 0.27 0.00 0.00 31.44 32.61 1gqo n GLU 18 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1gqo n PRO 19 N -0.17 0.19 0.11 5.31 -0.02 -1.25 -0.74 135.00 138.43 1gqo n PRO 19 Ca 0.00 0.36 0.06 0.00 -2.02 0.00 0.00 63.50 61.90 1gqo n PRO 19 Cb 0.00 -1.82 0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1gqo n PRO 19 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1gqo h GLU 20 N 0.00 0.00 0.13 -0.52 3.07 -1.90 0.31 114.58 115.68 1gqo h GLU 20 Ca 0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.50 1gqo h GLU 20 Cb 0.43 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1gqo h GLU 20 CO 0.00 0.21 -1.94 0.28 -1.40 0.00 0.00 179.01 176.16 1gqo h VAL 21 N 0.00 0.68 0.00 3.13 2.07 -1.82 -3.41 116.25 116.90 1gqo h VAL 21 Ca -0.05 -2.36 -0.08 0.00 0.82 0.00 0.00 66.70 65.03 1gqo h VAL 21 Cb 1.26 2.55 -0.17 0.00 -1.52 0.00 0.00 31.29 33.41 1gqo h VAL 21 CO 0.03 0.89 -0.70 0.49 0.02 0.00 0.00 177.57 178.29 1gqo n PHE 22 N -3.53 0.00 -2.42 1.57 3.01 0.08 -4.22 117.46 111.96 1gqo n PHE 22 Ca -0.31 -0.94 0.08 0.00 1.01 0.00 0.00 57.45 57.29 1gqo n PHE 22 Cb 1.04 -0.19 -0.02 0.00 -0.01 0.00 0.00 39.48 40.31 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 -0.37 -1.74 0.00 1.37 0.00 0.11 -4.65 105.19 99.91 1gqo n GLY 23 Ca 0.12 -1.22 0.04 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.49 2.47 -0.81 1.61 1.74 -1.26 -3.87 116.66 114.05 1gqo n ARG 24 Ca 0.00 -0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 1gqo n ARG 24 Cb 0.28 -1.05 0.18 0.00 -1.02 0.00 0.00 32.46 30.85 1gqo n ARG 24 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1gqo s GLN 25 N -2.18 0.61 0.42 5.56 -2.07 -1.26 -4.66 119.66 116.08 1gqo s GLN 25 Ca 0.01 1.16 0.08 0.00 -1.82 0.00 0.00 55.36 54.79 1gqo s GLN 25 Cb 0.06 -1.71 -0.01 0.00 -1.09 0.00 0.00 33.01 30.26 1gqo s GLN 25 CO 0.37 -2.79 0.42 0.95 -1.32 0.00 0.00 175.29 172.93 1gqo s THR 26 N -2.68 2.69 0.33 3.63 -4.23 -1.26 -4.15 115.64 109.98 1gqo s THR 26 Ca 0.66 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 59.92 1gqo s THR 26 Cb -0.22 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.86 1gqo s THR 26 CO 0.59 0.00 1.93 0.25 -0.54 0.00 0.00 174.62 176.85 1gqo h LEU 27 N 0.93 0.66 -0.13 4.79 5.85 -1.82 -1.61 115.31 123.99 1gqo h LEU 27 Ca -0.41 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1gqo h LEU 27 Cb 1.27 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1gqo h LEU 27 CO 0.55 0.59 0.04 0.74 -0.34 0.00 0.00 178.44 180.01 1gqo h THR 28 N 0.73 1.19 -0.41 1.05 2.02 -1.94 -1.44 112.91 114.10 1gqo h THR 28 Ca 0.18 -0.58 0.09 0.00 0.77 0.00 0.00 66.41 66.86 1gqo h THR 28 Cb 0.13 1.32 -0.09 0.00 -1.74 0.00 0.00 68.15 67.77 1gqo h THR 28 CO -0.02 0.17 -0.17 0.44 0.37 0.00 0.00 175.52 176.31 1gqo h ASP 29 N 0.02 -0.59 -0.97 4.18 3.32 -1.81 -2.04 116.42 118.54 1gqo h ASP 29 Ca 0.04 0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.25 1gqo h ASP 29 Cb 0.24 0.33 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 1gqo h ASP 29 CO -0.00 -0.20 0.64 0.40 -1.72 0.00 0.00 179.24 178.35 1gqo h ILE 30 N -0.08 1.25 -0.64 0.35 2.04 -1.05 -2.07 117.51 117.30 1gqo h ILE 30 Ca 0.20 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 1gqo h ILE 30 Cb 0.40 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 1gqo h ILE 30 CO -0.47 0.24 0.13 -0.33 0.00 0.00 0.00 178.15 177.72 1gqo h GLU 31 N 1.32 1.03 -0.34 2.37 5.08 -0.83 -0.41 114.58 122.80 1gqo h GLU 31 Ca 0.35 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1gqo h GLU 31 Cb -0.14 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 1gqo h GLU 31 CO -0.08 0.93 0.17 1.15 -1.00 0.00 0.00 179.01 180.18 1gqo h THR 32 N 0.97 1.16 -0.52 1.13 2.02 -0.96 0.28 112.91 116.99 1gqo h THR 32 Ca 0.20 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1gqo h THR 32 Cb 0.38 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1gqo h THR 32 CO 0.01 0.17 0.31 0.44 0.37 0.00 0.00 175.52 176.82 1gqo h ASP 33 N 0.42 0.64 0.39 4.18 3.32 -1.02 0.07 116.42 124.42 1gqo h ASP 33 Ca 0.12 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1gqo h ASP 33 Cb 0.12 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1gqo h ASP 33 CO -0.01 0.51 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.68 1gqo h LEU 34 N 0.70 0.00 0.68 1.55 3.38 -0.86 0.56 115.31 121.32 1gqo h LEU 34 Ca 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1gqo h LEU 34 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gqo h LEU 34 CO -0.03 0.27 -0.37 -0.26 0.09 0.00 0.00 178.44 178.14 1gqo h PHE 35 N 0.00 -0.96 -0.18 1.13 0.05 0.50 0.19 116.94 117.66 1gqo h PHE 35 Ca -0.00 -0.02 -0.07 0.00 3.82 0.00 0.00 57.97 61.71 1gqo h PHE 35 Cb 0.54 0.33 -0.00 0.00 2.00 0.00 0.00 35.95 38.82 1gqo h PHE 35 CO 0.00 -0.58 -0.14 1.96 -0.18 0.00 0.00 178.31 179.37 1gqo h GLN 36 N -0.97 0.42 -0.91 1.51 4.20 -0.61 -2.20 115.11 116.56 1gqo h GLN 36 Ca -0.09 -0.21 0.16 0.00 0.06 0.00 0.00 58.65 58.57 1gqo h GLN 36 Cb 0.76 -0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.39 1gqo h GLN 36 CO 0.12 0.75 -0.31 0.34 -0.67 0.00 0.00 178.83 179.07 1gqo n PHE 37 N -4.53 0.14 -0.10 2.96 7.35 0.19 -1.14 117.46 122.34 1gqo n PHE 37 Ca -0.05 1.11 -0.12 0.00 -0.76 0.00 0.00 57.45 57.63 1gqo n PHE 37 Cb 0.36 -0.91 -0.04 0.00 0.35 0.00 0.00 39.48 39.24 1gqo n PHE 37 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1gqo h ALA 38 N 1.47 0.40 -0.40 3.13 0.00 -0.44 -2.93 119.26 120.49 1gqo h ALA 38 Ca 0.36 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1gqo h ALA 38 Cb 0.59 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1gqo h ALA 38 CO -0.91 0.28 -0.49 0.93 0.00 0.00 0.00 179.25 179.05 1gqo h GLU 39 N 0.34 -0.31 -0.45 0.00 3.07 -0.49 -0.52 114.58 116.22 1gqo h GLU 39 Ca 0.06 0.02 0.13 0.00 -0.50 0.00 0.00 59.36 59.08 1gqo h GLU 39 Cb 0.65 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 1gqo h GLU 39 CO 0.04 -0.21 0.43 0.00 -1.40 0.00 0.00 179.01 177.87 1gqo h ALA 40 N -0.16 2.21 -0.36 3.43 0.00 -1.37 0.44 119.26 123.44 1gqo h ALA 40 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1gqo h ALA 40 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1gqo h ALA 40 CO -0.55 -0.66 0.00 1.47 0.00 0.00 0.00 179.25 179.51 1gqo n LEU 41 N -3.88 3.25 -3.30 0.00 -0.00 -0.34 -4.97 117.00 107.76 1gqo n LEU 41 Ca 0.08 -1.40 -0.16 0.00 -0.00 0.00 0.00 56.01 54.53 1gqo n LEU 41 Cb 0.62 -0.23 0.07 0.00 -0.00 0.00 0.00 43.42 43.87 1gqo n LEU 41 CO 0.30 0.70 0.03 1.57 -0.00 0.00 0.00 177.39 179.98 1gqo n HIS 42 N 1.36 -2.40 -3.99 1.47 -0.00 0.15 -5.02 115.22 106.78 1gqo n HIS 42 Ca 0.19 0.84 -0.09 0.00 0.46 0.00 0.00 57.72 59.12 1gqo n HIS 42 Cb 0.58 -4.15 -0.10 0.00 -0.12 0.00 0.00 29.99 26.19 1gqo n HIS 42 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1gqo s ILE 43 N -3.40 0.15 0.03 3.57 -4.36 -1.05 -4.61 121.20 111.53 1gqo s ILE 43 Ca 0.42 -1.21 0.02 0.00 -0.26 0.00 0.00 60.65 59.62 1gqo s ILE 43 Cb -0.06 -0.81 -0.04 0.00 1.25 0.00 0.00 42.46 42.80 1gqo s ILE 43 CO 0.75 -0.67 0.01 -1.10 0.24 0.00 0.00 174.94 174.18 1gqo s GLN 44 N -2.49 2.76 0.02 0.37 -0.21 -0.18 -4.36 119.66 115.57 1gqo s GLN 44 Ca -0.06 -0.66 0.04 0.00 0.02 0.00 0.00 55.36 54.70 1gqo s GLN 44 Cb -0.02 -2.66 -0.02 0.00 1.00 0.00 0.00 33.01 31.31 1gqo s GLN 44 CO -0.05 0.60 -0.13 -0.51 -2.12 0.00 0.00 175.29 173.09 1gqo s LEU 45 N -1.83 2.12 -0.04 2.90 1.43 -1.26 -0.45 118.68 121.55 1gqo s LEU 45 Ca 0.22 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1gqo s LEU 45 Cb -0.12 -0.58 -0.01 0.00 0.03 0.00 0.00 46.19 45.52 1gqo s LEU 45 CO 0.14 0.06 -0.21 -0.89 0.23 0.00 0.00 176.35 175.68 1gqo s THR 46 N -0.65 1.75 -0.11 5.49 2.01 -0.42 -4.94 115.64 118.78 1gqo s THR 46 Ca 0.02 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 1gqo s THR 46 Cb -0.07 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 1gqo s THR 46 CO 0.01 0.49 0.07 -0.36 -0.69 0.00 0.00 174.62 174.14 1gqo s PHE 47 N -0.16 3.36 -0.09 4.92 0.40 -1.26 -0.92 117.98 124.24 1gqo s PHE 47 Ca -0.01 0.34 -0.04 0.00 -0.60 0.00 0.00 56.93 56.62 1gqo s PHE 47 Cb -0.12 -1.87 0.04 0.00 0.51 0.00 0.00 43.02 41.58 1gqo s PHE 47 CO 0.02 0.57 0.20 0.12 0.70 0.00 0.00 175.22 176.84 1gqo s PHE 48 N -0.88 -0.26 0.05 0.36 5.36 -0.75 -4.97 117.98 116.89 1gqo s PHE 48 Ca 0.13 0.66 0.07 0.00 -0.96 0.00 0.00 56.93 56.84 1gqo s PHE 48 Cb -0.12 -0.01 -0.03 0.00 -0.34 0.00 0.00 43.02 42.53 1gqo s PHE 48 CO 0.03 -0.21 -0.21 -1.14 -1.46 0.00 0.00 175.22 172.24 1gqo s GLN 49 N 1.24 1.34 -0.14 10.12 -0.44 -1.26 -1.19 119.66 129.32 1gqo s GLN 49 Ca -0.09 -0.98 -0.28 0.00 -2.50 0.00 0.00 55.36 51.51 1gqo s GLN 49 Cb -0.11 -1.47 0.07 0.00 -1.64 0.00 0.00 33.01 29.86 1gqo s GLN 49 CO -0.07 0.37 0.71 0.45 0.50 0.00 0.00 175.29 177.25 1gqo s SER 50 N -1.30 -0.68 0.00 6.67 0.15 -0.75 -4.99 113.70 112.80 1gqo s SER 50 Ca 0.07 1.00 0.30 0.00 0.70 0.00 0.00 55.95 58.02 1gqo s SER 50 Cb -0.09 0.90 1.53 0.00 -1.71 0.00 0.00 66.02 66.65 1gqo s SER 50 CO 0.02 -0.45 2.01 0.59 1.20 0.00 0.00 173.24 176.62 1gqo n ASN 51 N 1.63 0.66 -4.53 5.45 3.02 -1.26 -2.59 115.26 117.64 1gqo n ASN 51 Ca -0.17 -1.22 -0.36 0.00 -0.03 0.00 0.00 54.58 52.81 1gqo n ASN 51 Cb 0.56 -0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.62 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 -2.00 3.15 0.21 3.10 3.76 -1.26 -4.65 115.29 117.60 1gqo s HIS 52 Ca 0.44 -0.19 -0.10 0.00 -0.15 0.00 0.00 55.06 55.06 1gqo s HIS 52 Cb 0.22 -2.17 0.17 0.00 1.11 0.00 0.00 32.58 31.90 1gqo s HIS 52 CO 0.35 -0.14 1.88 1.49 -0.85 0.00 0.00 174.74 177.48 1gqo h GLU 53 N 7.58 1.05 -0.42 1.40 4.81 -2.00 -1.92 114.58 125.07 1gqo h GLU 53 Ca -0.37 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 1gqo h GLU 53 Cb 1.18 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 1gqo h GLU 53 CO 0.62 0.70 0.07 0.78 -0.73 0.00 0.00 179.01 180.45 1gqo h GLY 54 N 1.07 0.68 1.26 1.92 0.00 -1.99 -1.82 103.07 104.19 1gqo h GLY 54 Ca 0.29 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 1gqo h GLY 54 CO -0.06 0.36 -0.17 -0.55 0.00 0.00 0.00 176.54 176.12 1gqo h ASP 55 N 0.61 0.87 -0.17 0.19 3.32 -1.77 -0.17 116.42 119.31 1gqo h ASP 55 Ca 0.14 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.76 1gqo h ASP 55 Cb 0.29 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1gqo h ASP 55 CO 0.00 1.03 -0.32 -0.07 -1.72 0.00 0.00 179.24 178.16 1gqo h LEU 56 N 0.76 0.69 -0.07 1.55 3.38 -1.13 -1.18 115.31 119.31 1gqo h LEU 56 Ca 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1gqo h LEU 56 Cb 0.69 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1gqo h LEU 56 CO 0.05 0.96 0.01 0.40 0.09 0.00 0.00 178.44 179.96 1gqo h ILE 57 N 0.57 1.21 -0.41 1.22 2.04 -1.23 -1.31 117.51 119.60 1gqo h ILE 57 Ca 0.06 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.33 1gqo h ILE 57 Cb 0.83 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 38.36 1gqo h ILE 57 CO 0.07 0.18 0.06 0.44 0.00 0.00 0.00 178.15 178.91 1gqo h ASP 58 N -0.11 -0.03 -0.95 1.72 3.32 -0.92 -1.60 116.42 117.85 1gqo h ASP 58 Ca 0.02 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1gqo h ASP 58 Cb 0.28 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1gqo h ASP 58 CO 0.00 0.02 0.63 0.00 -1.72 0.00 0.00 179.24 178.17 1gqo h ALA 59 N 1.32 1.24 -0.11 3.45 0.00 -1.06 -1.27 119.26 122.83 1gqo h ALA 59 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1gqo h ALA 59 Cb 0.25 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1gqo h ALA 59 CO -0.27 0.54 0.01 0.82 0.00 0.00 0.00 179.25 180.35 1gqo h ILE 60 N 1.24 1.24 -0.57 0.00 2.04 -0.85 -0.10 117.51 120.50 1gqo h ILE 60 Ca 0.37 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 65.54 1gqo h ILE 60 Cb -0.06 1.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1gqo h ILE 60 CO -0.10 0.22 0.25 0.45 0.00 0.00 0.00 178.15 178.96 1gqo h HIS 61 N -0.07 0.44 0.00 1.37 3.86 -1.02 -2.85 115.15 116.88 1gqo h HIS 61 Ca 0.03 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1gqo h HIS 61 Cb 0.33 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1gqo h HIS 61 CO 0.03 0.16 0.00 0.93 0.86 0.00 0.00 177.93 179.91 1gqo h GLU 62 N 0.46 0.00 -0.99 2.45 5.08 -1.07 -3.35 114.58 117.15 1gqo h GLU 62 Ca 0.27 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.68 1gqo h GLU 62 Cb 0.27 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 1gqo h GLU 62 CO -0.24 0.00 0.65 0.00 -1.00 0.00 0.00 179.01 178.42 1gqo h ALA 63 N 2.12 1.34 -1.08 3.43 0.00 -0.76 -3.14 119.26 121.16 1gqo h ALA 63 Ca 0.00 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.16 1gqo h ALA 63 Cb 0.73 -0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1gqo h ALA 63 CO 0.00 0.51 0.72 1.49 0.00 0.00 0.00 179.25 181.97 1gqo h GLU 64 N 1.23 0.25 -0.63 0.00 4.57 -1.71 0.25 114.58 118.54 1gqo h GLU 64 Ca 0.41 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1gqo h GLU 64 Cb 0.05 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1gqo h GLU 64 CO -0.14 0.16 0.00 0.39 -1.18 0.00 0.00 179.01 178.24 1gqo n GLU 65 N -4.49 2.60 0.00 1.92 1.02 -1.19 -4.59 120.64 115.91 1gqo n GLU 65 Ca 0.25 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 1gqo n GLU 65 Cb 1.00 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 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 1.54 3.82 -4.53 3.49 7.27 0.71 -5.13 117.38 124.56 1gqo n GLN 66 Ca 0.23 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 57.04 1gqo n GLN 66 Cb 0.60 -0.46 -0.11 0.00 2.41 0.00 0.00 30.24 32.68 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 -0.31 2.31 -2.07 3.69 1.51 -0.15 -4.94 117.35 117.40 1gqo s TYR 67 Ca 0.00 -0.58 0.17 0.00 -1.01 0.00 0.00 57.07 55.66 1gqo s TYR 67 Cb 0.00 -1.38 0.11 0.00 -0.11 0.00 0.00 41.96 40.59 1gqo s TYR 67 CO 0.00 0.49 1.02 -1.13 -1.11 0.00 0.00 175.55 174.82 1gqo n SER 68 N -0.77 2.32 -3.64 2.29 3.41 -0.81 -4.73 113.62 111.70 1gqo n SER 68 Ca -0.05 -1.66 0.01 0.00 -0.26 0.00 0.00 58.87 56.91 1gqo n SER 68 Cb 0.64 0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.66 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 -1.53 -0.39 -0.02 5.00 0.00 -1.26 -4.46 107.32 104.66 1gqo s GLY 69 Ca 0.19 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.53 1gqo s GLY 69 CO 0.25 0.10 0.00 -0.42 0.00 0.00 0.00 173.10 173.04 1gqo s ILE 70 N -2.56 0.11 -0.29 0.90 1.01 -0.97 -2.45 121.20 116.95 1gqo s ILE 70 Ca 0.14 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 1gqo s ILE 70 Cb 0.04 -0.18 -0.00 0.00 0.01 0.00 0.00 42.46 42.32 1gqo s ILE 70 CO -0.03 0.10 0.11 -0.69 0.00 0.00 0.00 174.94 174.42 1gqo s VAL 71 N 0.66 4.28 -0.19 2.92 1.01 -0.61 -1.36 120.40 127.10 1gqo s VAL 71 Ca -0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1gqo s VAL 71 Cb -0.09 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1gqo s VAL 71 CO -0.01 0.12 -0.07 -0.22 0.00 0.00 0.00 175.10 174.92 1gqo s LEU 72 N 1.57 2.84 -0.41 3.92 2.96 -0.04 -0.53 118.68 128.99 1gqo s LEU 72 Ca 0.04 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1gqo s LEU 72 Cb -0.17 -1.70 0.11 0.00 0.50 0.00 0.00 46.19 44.93 1gqo s LEU 72 CO 0.04 0.03 0.14 0.21 -1.32 0.00 0.00 176.35 175.46 1gqo s ASN 73 N 1.15 4.47 0.00 3.68 3.84 -0.39 -0.92 114.94 126.77 1gqo s ASN 73 Ca 0.02 -2.46 0.31 0.00 0.21 0.00 0.00 52.86 50.93 1gqo s ASN 73 Cb -0.14 -1.53 1.65 0.00 -0.55 0.00 0.00 41.25 40.68 1gqo s ASN 73 CO -0.02 -0.32 2.09 -0.81 -2.79 0.00 0.00 177.10 175.25 1gqo n PRO 74 N 3.83 1.07 0.00 0.43 -0.04 -1.26 0.33 135.00 139.36 1gqo n PRO 74 Ca 0.04 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1gqo n PRO 74 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 1.08 0.96 0.08 0.55 0.00 -1.26 -2.99 105.19 103.61 1gqo n GLY 75 Ca 0.22 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.64 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 4.42 1.20 0.27 4.61 0.00 -1.26 -2.30 120.51 127.45 1gqo n ALA 76 Ca 0.00 0.08 0.18 0.00 0.00 0.00 0.00 53.44 53.71 1gqo n ALA 76 Cb 0.00 -1.21 0.94 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 -1.58 0.00 3.38 -1.91 -1.15 115.31 114.06 1gqo h LEU 77 Ca 0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 1gqo h LEU 77 Cb 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 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 0.34 0.40 -0.43 0.87 -1.63 0.11 113.55 113.21 1gqo h SER 78 Ca 0.04 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1gqo h SER 78 Cb 0.35 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1gqo h SER 78 CO -0.00 0.13 -0.34 1.41 -0.53 0.00 0.00 176.83 177.50 1gqo n HIS 79 N -4.48 0.00 -0.39 2.24 8.25 -0.43 -0.15 115.22 120.26 1gqo n HIS 79 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1gqo n HIS 79 Cb 0.74 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.65 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 -1.10 0.00 -2.65 4.41 0.18 -0.90 -4.68 117.16 112.42 1gqo n TYR 80 Ca 0.09 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.44 1gqo n TYR 80 Cb 0.33 0.00 -0.00 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 6.83 0.56 9.48 0.15 0.32 -4.75 113.70 126.29 1gqo s SER 81 Ca 0.00 -2.39 0.25 0.00 0.70 0.00 0.00 55.95 54.51 1gqo s SER 81 Cb 0.00 -2.54 1.61 0.00 -1.71 0.00 0.00 66.02 63.38 1gqo s SER 81 CO 0.00 -1.14 2.20 1.88 1.20 0.00 0.00 173.24 177.38 1gqo h TYR 82 N 7.84 0.00 -0.20 3.44 -1.99 -1.91 -1.59 116.97 122.56 1gqo h TYR 82 Ca 0.39 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 61.05 1gqo h TYR 82 Cb 0.89 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.61 1gqo h TYR 82 CO 1.35 0.00 -0.15 0.00 -0.00 0.00 0.00 178.16 179.36 1gqo h ALA 83 N 1.98 1.37 0.07 3.88 0.00 -1.98 -1.09 119.26 123.48 1gqo h ALA 83 Ca 0.01 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.42 1gqo h ALA 83 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1gqo h ALA 83 CO -0.00 0.43 -1.21 0.82 0.00 0.00 0.00 179.25 179.29 1gqo h ILE 84 N 0.32 1.51 0.36 0.00 2.04 -1.70 -2.89 117.51 117.15 1gqo h ILE 84 Ca 0.06 -3.16 -0.00 0.00 1.00 0.00 0.00 64.86 62.76 1gqo h ILE 84 Cb 0.46 2.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.36 1gqo h ILE 84 CO 0.03 0.89 -0.38 -0.09 0.00 0.00 0.00 178.15 178.60 1gqo h ARG 85 N 0.04 -0.74 -0.69 2.37 2.43 -1.01 -1.86 114.38 114.91 1gqo h ARG 85 Ca -0.11 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1gqo h ARG 85 Cb 1.90 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 31.57 1gqo h ARG 85 CO 0.16 -0.49 0.46 -0.44 -1.51 0.00 0.00 179.97 178.14 1gqo h ASP 86 N -0.77 0.57 -0.24 -3.80 5.19 -1.24 -1.81 116.42 114.32 1gqo h ASP 86 Ca -0.02 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1gqo h ASP 86 Cb 0.70 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 1gqo h ASP 86 CO -0.08 0.36 0.11 0.00 -3.12 0.00 0.00 179.24 176.51 1gqo h ALA 87 N 1.64 0.28 -0.88 3.45 0.00 -1.21 -1.91 119.26 120.62 1gqo h ALA 87 Ca 0.31 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1gqo h ALA 87 Cb 0.37 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1gqo h ALA 87 CO -0.10 -0.30 0.58 0.28 0.00 0.00 0.00 179.25 179.70 1gqo h VAL 88 N 0.23 1.17 0.00 0.00 2.07 -0.54 -1.65 116.25 117.53 1gqo h VAL 88 Ca 0.10 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1gqo h VAL 88 Cb 0.04 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1gqo h VAL 88 CO -0.08 0.20 -0.13 0.28 0.02 0.00 0.00 177.57 177.86 1gqo h SER 89 N 1.12 0.00 0.41 0.57 0.02 -1.15 -3.20 113.55 111.31 1gqo h SER 89 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1gqo h SER 89 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1gqo h SER 89 CO -0.09 0.13 -0.08 -1.54 -1.14 0.00 0.00 176.83 174.11 1gqo n SER 90 N -3.27 0.33 -4.54 3.07 3.41 -0.62 -4.92 113.62 107.09 1gqo n SER 90 Ca 0.00 -0.46 -0.24 0.00 -0.26 0.00 0.00 58.87 57.91 1gqo n SER 90 Cb 0.39 -0.12 -0.09 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.50 2.66 -0.54 -1.33 -4.36 -1.21 -5.06 121.20 108.86 1gqo s ILE 91 Ca 0.29 -2.22 0.23 0.00 -0.26 0.00 0.00 60.65 58.69 1gqo s ILE 91 Cb 0.20 -2.53 -0.10 0.00 1.25 0.00 0.00 42.46 41.28 1gqo s ILE 91 CO 0.47 -0.34 1.02 -1.54 0.24 0.00 0.00 174.94 174.79 1gqo n SER 92 N -0.75 0.61 -4.76 4.36 3.41 -1.26 -4.95 113.62 110.28 1gqo n SER 92 Ca -0.05 -0.12 -0.36 0.00 -0.26 0.00 0.00 58.87 58.08 1gqo n SER 92 Cb 0.61 0.78 0.03 0.00 -0.26 0.00 0.00 64.21 65.36 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 -4.13 3.75 -0.05 1.04 1.43 -1.26 -4.99 118.68 114.48 1gqo s LEU 93 Ca 0.03 2.43 -0.30 0.00 -1.03 0.00 0.00 54.13 55.26 1gqo s LEU 93 Cb 0.14 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.83 1gqo s LEU 93 CO 0.80 -1.47 1.24 -2.16 0.23 0.00 0.00 176.35 174.99 1gqo s PRO 94 N -3.16 4.34 -0.07 1.29 0.04 -1.26 -4.92 135.00 131.25 1gqo s PRO 94 Ca 0.74 1.73 0.03 0.00 0.04 0.00 0.00 61.00 63.55 1gqo s PRO 94 Cb -0.31 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.64 1gqo s PRO 94 CO 0.35 -0.48 -0.16 0.08 0.04 0.00 0.00 177.00 176.83 1gqo s VAL 95 N 2.27 2.85 -0.09 -0.36 1.01 -1.26 -2.29 120.40 122.51 1gqo s VAL 95 Ca 0.57 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1gqo s VAL 95 Cb -0.26 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 1gqo s VAL 95 CO 0.23 0.57 -0.24 -0.69 0.00 0.00 0.00 175.10 174.97 1gqo s VAL 96 N -0.31 2.03 -0.04 2.92 1.01 -0.46 -1.47 120.40 124.08 1gqo s VAL 96 Ca 0.02 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 1gqo s VAL 96 Cb -0.13 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1gqo s VAL 96 CO 0.03 0.56 0.64 -0.70 0.00 0.00 0.00 175.10 175.62 1gqo s GLU 97 N 0.27 4.39 -0.05 2.72 2.12 -0.50 -0.87 118.70 126.78 1gqo s GLU 97 Ca -0.16 0.79 0.02 0.00 0.36 0.00 0.00 54.97 55.97 1gqo s GLU 97 Cb -0.17 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1gqo s GLU 97 CO 0.08 0.19 -0.11 0.08 -0.54 0.00 0.00 175.26 174.97 1gqo s VAL 98 N 0.39 1.00 -0.03 3.70 1.01 -0.10 -1.15 120.40 125.21 1gqo s VAL 98 Ca 0.34 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1gqo s VAL 98 Cb -0.18 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1gqo s VAL 98 CO 0.17 0.32 -0.09 -1.00 0.00 0.00 0.00 175.10 174.50 1gqo s HIS 99 N 0.59 1.03 -0.02 5.22 3.76 -0.48 -4.28 115.29 121.11 1gqo s HIS 99 Ca -0.12 -0.28 -0.21 0.00 -0.15 0.00 0.00 55.06 54.30 1gqo s HIS 99 Cb -0.14 -0.75 -0.13 0.00 1.11 0.00 0.00 32.58 32.67 1gqo s HIS 99 CO 0.03 -0.13 0.91 -0.07 -0.85 0.00 0.00 174.74 174.63 1gqo h LEU 100 N 6.51 -0.40-10.37 0.89 4.07 -1.86 -2.46 115.31 111.69 1gqo h LEU 100 Ca -0.33 -0.14 -0.50 0.00 0.08 0.00 0.00 57.88 56.98 1gqo h LEU 100 Cb 1.17 0.10 0.09 0.00 1.08 0.00 0.00 40.66 43.10 1gqo h LEU 100 CO 0.48 0.04 0.38 -0.94 -1.08 0.00 0.00 178.44 177.33 1gqo s SER 101 N -5.06 5.41 -1.04 -0.43 1.04 -1.26 -1.46 113.70 110.90 1gqo s SER 101 Ca -0.12 1.45 -0.22 0.00 0.48 0.00 0.00 55.95 57.55 1gqo s SER 101 Cb 0.01 -2.33 0.06 0.00 0.10 0.00 0.00 66.02 63.86 1gqo s SER 101 CO 0.41 -1.40 1.45 0.21 0.98 0.00 0.00 173.24 174.88 1gqo s ASN 102 N -3.97 6.56 0.35 7.02 3.84 -1.26 -2.23 114.94 125.24 1gqo s ASN 102 Ca 0.58 -1.64 0.10 0.00 0.21 0.00 0.00 52.86 52.11 1gqo s ASN 102 Cb -0.13 -2.55 0.86 0.00 -0.55 0.00 0.00 41.25 38.88 1gqo s ASN 102 CO 0.54 -1.42 1.82 -0.07 -2.79 0.00 0.00 177.10 175.19 1gqo h LEU 103 N 12.48 0.64 -1.65 3.21 3.38 -1.92 -1.99 115.31 129.45 1gqo h LEU 103 Ca 0.22 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1gqo h LEU 103 Cb 0.99 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1gqo h LEU 103 CO 1.40 0.26 0.00 1.88 0.09 0.00 0.00 178.44 182.07 1gqo h TYR 104 N 0.64 0.00 -0.13 1.13 -1.99 -1.89 0.82 116.97 115.55 1gqo h TYR 104 Ca 0.51 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.24 1gqo h TYR 104 Cb 0.94 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.67 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 -1.95 2.46 -2.45 3.88 0.00 -0.75 -4.96 120.51 116.74 1gqo n ALA 105 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1gqo n ALA 105 Cb 0.17 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.32 3.72 -1.58 0.00 1.74 0.28 -5.07 116.66 117.07 1gqo n ARG 106 Ca 0.16 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.83 1gqo n ARG 106 Cb 0.59 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.05 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 1.13 -0.28 5.56 4.71 -1.26 -4.87 120.64 125.63 1gqo n GLU 107 Ca 0.00 0.41 0.12 0.00 -0.01 0.00 0.00 57.16 57.68 1gqo n GLU 107 Cb 0.00 -1.99 0.37 0.00 -1.01 0.00 0.00 31.44 28.81 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 1.17 0.69 0.00 3.49 4.81 -1.95 -1.26 114.58 121.53 1gqo h GLU 108 Ca -0.45 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1gqo h GLU 108 Cb 1.35 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1gqo h GLU 108 CO 0.54 0.46 -0.02 0.27 -0.73 0.00 0.00 179.01 179.53 1gqo h PHE 109 N 0.71 0.00 -0.00 0.92 -5.15 -1.96 0.09 116.94 111.54 1gqo h PHE 109 Ca 0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.23 1gqo h PHE 109 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.90 1gqo h PHE 109 CO -0.00 0.02 -0.13 0.54 -2.00 0.00 0.00 178.31 176.73 1gqo n ARG 110 N -3.23 0.30 0.00 6.09 1.74 -0.47 -4.11 116.66 116.98 1gqo n ARG 110 Ca -0.02 -0.08 0.15 0.00 -0.77 0.00 0.00 57.85 57.13 1gqo n ARG 110 Cb 0.15 -1.50 0.77 0.00 -1.02 0.00 0.00 32.46 30.87 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 -1.28 0.00 -4.73 -1.55 8.25 0.02 -4.70 115.22 111.22 1gqo n HIS 111 Ca 0.10 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.32 1gqo n HIS 111 Cb 0.30 -0.14 -0.16 0.00 1.12 0.00 0.00 29.99 31.11 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 -2.32 1.42 -0.15 -0.41 0.00 -1.26 -4.98 119.66 111.97 1gqo s GLN 112 Ca 0.36 -0.55 -0.06 0.00 -0.00 0.00 0.00 55.36 55.11 1gqo s GLN 112 Cb 0.21 -1.31 -0.04 0.00 0.00 0.00 0.00 33.01 31.87 1gqo s GLN 112 CO 0.43 0.28 0.05 0.45 0.00 0.00 0.00 175.29 176.50 1gqo s SER 113 N -0.16 5.58 0.00 12.60 0.15 -1.26 -4.30 113.70 126.31 1gqo s SER 113 Ca 0.02 0.14 0.25 0.00 0.70 0.00 0.00 55.95 57.05 1gqo s SER 113 Cb -0.08 -1.85 0.55 0.00 -1.71 0.00 0.00 66.02 62.92 1gqo s SER 113 CO 0.00 0.26 1.44 1.33 1.20 0.00 0.00 173.24 177.46 1gqo n VAL 114 N 2.99 0.00 -0.05 4.45 0.24 0.79 -4.17 118.33 122.59 1gqo n VAL 114 Ca -0.18 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.34 61.84 1gqo n VAL 114 Cb 0.53 0.61 -0.14 0.00 -1.47 0.00 0.00 33.84 33.37 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 -0.54 1.59 0.05 1.34 5.41 -1.26 -4.56 119.36 121.39 1gqo n ILE 115 Ca 0.11 -0.74 0.14 0.00 1.00 0.00 0.00 62.75 63.25 1gqo n ILE 115 Cb 0.38 -1.15 0.61 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 0.62 2.18 0.00 -1.39 0.00 -1.92 -1.93 119.26 116.83 1gqo h ALA 116 Ca -0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1gqo h ALA 116 Cb 2.05 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 1gqo h ALA 116 CO 0.05 -0.28 -0.02 -1.35 0.00 0.00 0.00 179.25 177.64 1gqo h PRO 117 N 0.14 0.00 -0.02 0.00 0.11 -1.81 -2.12 132.00 128.30 1gqo h PRO 117 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1gqo h PRO 117 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1gqo h PRO 117 CO -0.02 0.02 -0.06 1.33 -0.21 0.00 0.00 178.00 179.06 1gqo n VAL 118 N -3.94 0.00 -2.59 3.15 0.24 -0.73 -5.00 118.33 109.47 1gqo n VAL 118 Ca -0.03 -0.47 -0.22 0.00 -2.04 0.00 0.00 64.34 61.58 1gqo n VAL 118 Cb 0.11 1.29 0.07 0.00 -1.47 0.00 0.00 33.84 33.84 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 -1.38 3.77 0.10 2.33 0.00 -0.80 -4.75 121.76 121.02 1gqo s ALA 119 Ca 0.17 -1.49 -0.16 0.00 0.00 0.00 0.00 51.96 50.48 1gqo s ALA 119 Cb 0.13 -2.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.10 1gqo s ALA 119 CO 0.23 -1.11 1.47 0.87 0.00 0.00 0.00 175.76 177.21 1gqo h LYS 120 N -0.25 0.64 0.00 0.00 1.79 -1.53 -3.49 116.57 113.73 1gqo h LYS 120 Ca -0.39 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 57.80 1gqo h LYS 120 Cb 1.28 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1gqo h LYS 120 CO 0.47 0.86 0.00 0.41 -1.08 0.00 0.00 179.45 180.12 1gqo n GLY 121 N -0.04 0.94 3.23 3.86 0.00 -1.26 -5.09 105.19 106.84 1gqo n GLY 121 Ca -0.03 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.46 0.54 -0.14 1.61 0.74 -1.26 -1.41 119.66 118.27 1gqo s GLN 122 Ca 0.00 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.55 1gqo s GLN 122 Cb 0.00 0.25 0.02 0.00 1.10 0.00 0.00 33.01 34.38 1gqo s GLN 122 CO 0.00 -0.12 -0.14 0.42 -0.55 0.00 0.00 175.29 174.90 1gqo s ILE 123 N -0.59 1.55 -0.02 -2.34 1.01 -0.30 -4.97 121.20 115.53 1gqo s ILE 123 Ca -0.07 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1gqo s ILE 123 Cb -0.04 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1gqo s ILE 123 CO 0.02 0.45 -0.08 -0.69 0.00 0.00 0.00 174.94 174.64 1gqo s VAL 124 N 1.43 0.72 0.00 2.92 1.01 -1.26 -1.38 120.40 123.84 1gqo s VAL 124 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1gqo s VAL 124 Cb -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1gqo s VAL 124 CO -0.09 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1gqo n GLY 125 N 3.17 1.15 1.69 4.51 0.00 -0.92 -4.85 105.19 109.94 1gqo n GLY 125 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 5.04 0.00 0.99 4.77 -1.22 -4.58 117.00 122.00 1gqo n LEU 126 Ca 0.00 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 53.39 1gqo n LEU 126 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1gqo n LEU 126 CO 0.00 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1gqo n GLY 127 N 0.24 0.49 0.28 -0.72 0.00 -0.53 -3.36 105.19 101.57 1gqo n GLY 127 Ca 0.27 -0.89 0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.78 1.13 -0.38 4.61 0.00 -1.94 -1.39 119.26 120.51 1gqo h ALA 128 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1gqo h ALA 128 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1gqo h ALA 128 CO 0.00 0.10 0.32 1.49 0.00 0.00 0.00 179.25 181.16 1gqo h GLU 129 N 0.00 0.00 -0.66 0.00 4.57 -1.98 -2.36 114.58 114.15 1gqo h GLU 129 Ca -0.00 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.28 1gqo h GLU 129 Cb 0.37 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 1gqo h GLU 129 CO 0.01 0.00 0.44 0.78 -1.18 0.00 0.00 179.01 179.06 1gqo h GLY 130 N 0.00 0.69 1.02 1.92 0.00 -1.30 0.13 103.07 105.54 1gqo h GLY 130 Ca 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1gqo h GLY 130 CO -0.00 0.11 0.29 -0.97 0.00 0.00 0.00 176.54 175.97 1gqo h TYR 131 N 0.48 1.07 -0.33 5.60 -1.99 -1.64 0.79 116.97 120.95 1gqo h TYR 131 Ca 0.31 -0.08 -0.14 0.00 2.00 0.00 0.00 58.73 60.82 1gqo h TYR 131 Cb 0.57 -0.32 -0.00 0.00 2.00 0.00 0.00 36.73 38.97 1gqo h TYR 131 CO -0.00 0.82 -0.35 0.87 -0.00 0.00 0.00 178.16 179.50 1gqo h LYS 132 N 1.01 0.81 -0.24 4.88 1.57 -1.17 -0.40 116.57 123.03 1gqo h LYS 132 Ca 0.24 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 1gqo h LYS 132 Cb 0.19 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1gqo h LYS 132 CO -0.02 1.07 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.71 1gqo h LEU 133 N 0.59 0.39 -0.17 2.94 3.38 -0.72 -0.68 115.31 121.04 1gqo h LEU 133 Ca 0.05 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 1gqo h LEU 133 Cb 0.93 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1gqo h LEU 133 CO 0.09 0.57 -0.67 0.00 0.09 0.00 0.00 178.44 178.52 1gqo h ALA 134 N 1.47 0.31 -0.58 1.53 0.00 -0.50 -2.23 119.26 119.27 1gqo h ALA 134 Ca 0.07 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1gqo h ALA 134 Cb 0.49 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1gqo h ALA 134 CO 0.03 0.61 0.35 0.28 0.00 0.00 0.00 179.25 180.52 1gqo h VAL 135 N 0.48 1.16 -0.43 0.00 2.07 -0.84 -1.15 116.25 117.54 1gqo h VAL 135 Ca -0.03 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 1gqo h VAL 135 Cb 1.30 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1gqo h VAL 135 CO 0.14 0.17 -0.12 0.03 0.02 0.00 0.00 177.57 177.81 1gqo h ARG 136 N 0.79 0.85 -0.74 1.57 3.08 -0.93 -1.16 114.38 117.85 1gqo h ARG 136 Ca 0.21 -0.33 0.05 0.00 0.07 0.00 0.00 59.98 59.97 1gqo h ARG 136 Cb -0.04 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 1gqo h ARG 136 CO -0.04 0.97 0.45 -0.92 -1.07 0.00 0.00 179.97 179.36 1gqo h TYR 137 N 0.68 0.83 -0.71 3.04 3.20 -1.05 -1.19 116.97 121.76 1gqo h TYR 137 Ca 0.11 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1gqo h TYR 137 Cb 0.67 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 1gqo h TYR 137 CO 0.05 0.44 0.29 -0.07 -1.64 0.00 0.00 178.16 177.23 1gqo h LEU 138 N 0.84 0.97 -1.30 2.82 4.07 -0.96 -2.44 115.31 119.31 1gqo h LEU 138 Ca 0.31 -0.14 -0.04 0.00 0.08 0.00 0.00 57.88 58.09 1gqo h LEU 138 Cb 0.10 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 1gqo h LEU 138 CO -0.15 0.86 0.02 -0.07 -1.08 0.00 0.00 178.44 178.02 1gqo h LEU 139 N 1.03 0.45 -0.26 1.67 3.38 -0.87 -2.35 115.31 118.36 1gqo h LEU 139 Ca 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1gqo h LEU 139 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1gqo h LEU 139 CO -0.02 0.51 0.00 -1.54 0.09 0.00 0.00 178.44 177.48 1gqo n SER 140 N -4.31 0.38 -0.46 -0.43 3.41 -0.48 -5.09 113.62 106.65 1gqo n SER 140 Ca 0.01 -1.60 0.06 0.00 -0.26 0.00 0.00 58.87 57.08 1gqo n SER 140 Cb 0.22 -0.03 0.05 0.00 -0.26 0.00 0.00 64.21 64.19 1gqo n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88