#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 2.14 0.19 0.54 2.46 -1.25 -0.13 115.29 119.24 1gqo s HIS 2 Ca 0.00 -1.11 0.10 0.00 0.47 0.00 0.00 55.06 54.52 1gqo s HIS 2 Cb 0.00 -1.55 -0.04 0.00 -0.13 0.00 0.00 32.58 30.86 1gqo s HIS 2 CO 0.00 -0.58 -0.15 -0.06 -2.47 0.00 0.00 174.74 171.48 1gqo s PHE 3 N 1.21 2.51 -0.19 3.88 2.99 0.51 -2.15 117.98 126.75 1gqo s PHE 3 Ca -0.01 -0.27 -0.12 0.00 0.00 0.00 0.00 56.93 56.52 1gqo s PHE 3 Cb -0.14 -1.22 -0.05 0.00 0.00 0.00 0.00 43.02 41.61 1gqo s PHE 3 CO -0.06 0.52 0.23 -1.17 -0.00 0.00 0.00 175.22 174.73 1gqo s LEU 4 N -2.81 4.21 -0.39 -0.37 0.20 -0.87 -1.85 118.68 116.80 1gqo s LEU 4 Ca 0.24 0.36 -0.09 0.00 0.69 0.00 0.00 54.13 55.32 1gqo s LEU 4 Cb -0.08 -2.25 0.06 0.00 -0.43 0.00 0.00 46.19 43.48 1gqo s LEU 4 CO 0.13 0.11 0.22 -0.63 -0.29 0.00 0.00 176.35 175.89 1gqo s ILE 5 N 0.59 4.28 -0.21 6.68 -1.09 -0.20 -1.00 121.20 130.24 1gqo s ILE 5 Ca 0.12 -1.18 -0.04 0.00 -2.23 0.00 0.00 60.65 57.32 1gqo s ILE 5 Cb -0.12 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 1gqo s ILE 5 CO 0.02 -0.37 -0.03 -0.22 -1.23 0.00 0.00 174.94 173.11 1gqo s LEU 6 N 1.46 2.98 -0.06 2.97 0.20 -0.12 -1.91 118.68 124.20 1gqo s LEU 6 Ca 0.02 -0.34 0.05 0.00 0.69 0.00 0.00 54.13 54.54 1gqo s LEU 6 Cb -0.21 -1.76 -0.00 0.00 -0.43 0.00 0.00 46.19 43.78 1gqo s LEU 6 CO 0.04 0.00 -0.22 0.20 -0.29 0.00 0.00 176.35 176.08 1gqo s ASN 7 N 1.35 2.78 0.15 3.68 0.01 -0.09 -1.00 114.94 121.82 1gqo s ASN 7 Ca 0.04 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.72 1gqo s ASN 7 Cb -0.14 -0.92 0.00 0.00 0.41 0.00 0.00 41.25 40.60 1gqo s ASN 7 CO -0.01 0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 1gqo n GLY 8 N 3.18 0.83 3.77 0.66 0.00 0.69 -1.82 105.19 112.51 1gqo n GLY 8 Ca -0.18 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 1gqo n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gqo s PRO 9 N 0.20 4.12 0.00 1.61 0.01 -1.02 -2.62 135.00 137.30 1gqo s PRO 9 Ca 0.00 2.56 0.00 0.00 0.01 0.00 0.00 61.00 63.57 1gqo s PRO 9 Cb 0.00 -2.98 0.00 0.00 0.01 0.00 0.00 34.50 31.53 1gqo s PRO 9 CO 0.00 -0.54 0.00 0.09 0.01 0.00 0.00 177.00 176.56 1gqo n ASN 10 N 0.80 0.00 0.24 2.53 3.02 -1.26 -4.46 115.26 116.13 1gqo n ASN 10 Ca 0.02 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.64 1gqo n ASN 10 Cb 0.39 -0.60 0.57 0.00 -0.61 0.00 0.00 39.78 39.53 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 1.06 0.00 2.41 2.07 -1.88 -0.13 116.25 119.78 1gqo h VAL 11 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1gqo h VAL 11 Cb 0.00 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1gqo h VAL 11 CO 0.00 0.08 0.00 -0.55 0.02 0.00 0.00 177.57 177.12 1gqo h ASN 12 N 0.01 0.00 -0.22 0.57 -1.07 -1.88 -2.84 115.58 110.16 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 0.14 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.39 1gqo h ASN 12 CO 0.01 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.05 1gqo n ARG 13 N -2.41 1.96 -1.69 4.14 5.12 -0.06 -4.72 116.66 118.99 1gqo n ARG 13 Ca 0.01 -1.45 -0.59 0.00 -1.93 0.00 0.00 57.85 53.89 1gqo n ARG 13 Cb 0.17 -1.43 -0.08 0.00 -1.16 0.00 0.00 32.46 29.96 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 0.68 2.17 0.00 0.55 4.32 -1.07 -1.24 117.00 122.41 1gqo n LEU 14 Ca 0.17 1.05 0.00 0.00 -0.02 0.00 0.00 56.01 57.21 1gqo n LEU 14 Cb 0.42 -1.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.11 1gqo n LEU 14 CO 0.14 -0.50 0.00 0.61 -1.22 0.00 0.00 177.39 176.42 1gqo n GLY 15 N 4.39 0.56 0.27 -0.72 0.00 -1.25 -4.28 105.19 104.15 1gqo n GLY 15 Ca 0.29 -0.57 0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.00 -0.01 1.61 4.64 -1.53 -1.82 113.55 116.45 1gqo h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gqo h SER 16 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1gqo h SER 16 CO 0.00 0.11 -0.77 0.54 -0.87 0.00 0.00 176.83 175.84 1gqo n ARG 17 N -3.49 0.73 -3.73 4.77 5.12 -1.26 -4.94 116.66 113.86 1gqo n ARG 17 Ca -0.01 -0.33 -0.36 0.00 -1.93 0.00 0.00 57.85 55.21 1gqo n ARG 17 Cb 0.25 -1.44 -0.06 0.00 -1.16 0.00 0.00 32.46 30.06 1gqo n ARG 17 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1gqo s GLU 18 N -2.70 3.63 0.01 5.56 2.02 -0.69 -5.04 118.70 121.49 1gqo s GLU 18 Ca 0.11 0.05 -0.30 0.00 0.02 0.00 0.00 54.97 54.85 1gqo s GLU 18 Cb 0.16 -3.16 -0.07 0.00 0.10 0.00 0.00 34.13 31.16 1gqo s GLU 18 CO 0.72 0.71 1.67 -1.25 0.02 0.00 0.00 175.26 177.13 1gqo s PRO 19 N -1.29 4.19 0.57 0.39 0.04 -1.26 -4.87 135.00 132.77 1gqo s PRO 19 Ca 0.22 2.28 0.27 0.00 0.04 0.00 0.00 61.00 63.80 1gqo s PRO 19 Cb -0.14 -3.83 1.57 0.00 0.04 0.00 0.00 34.50 32.14 1gqo s PRO 19 CO 0.11 -0.80 2.09 1.49 0.04 0.00 0.00 177.00 179.93 1gqo h GLU 20 N 9.07 0.00 0.00 4.56 4.22 -1.94 -1.82 114.58 128.67 1gqo h GLU 20 Ca -0.42 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 58.96 1gqo h GLU 20 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1gqo h GLU 20 CO 0.94 0.00 -0.31 0.28 -2.18 0.00 0.00 179.01 177.74 1gqo h VAL 21 N 0.00 0.65 -0.37 0.32 2.07 -2.00 -2.96 116.25 113.96 1gqo h VAL 21 Ca 0.10 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1gqo h VAL 21 Cb 0.52 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1gqo h VAL 21 CO -0.00 0.30 0.00 0.49 0.02 0.00 0.00 177.57 178.38 1gqo n PHE 22 N -3.35 0.49 -1.19 1.57 0.99 -0.68 -5.01 117.46 110.27 1gqo n PHE 22 Ca 0.01 -0.25 0.00 0.00 -0.00 0.00 0.00 57.45 57.21 1gqo n PHE 22 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.01 1gqo n PHE 22 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1gqo n GLY 23 N 1.15 -3.52 3.01 1.37 0.00 -1.12 -5.08 105.19 101.00 1gqo n GLY 23 Ca 0.14 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 1gqo n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gqo s ARG 24 N -1.86 0.39 -0.05 1.61 1.70 -1.26 -4.99 118.95 114.48 1gqo s ARG 24 Ca 0.00 -0.77 -0.14 0.00 -0.47 0.00 0.00 55.73 54.35 1gqo s ARG 24 Cb 0.00 0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.46 1gqo s ARG 24 CO 0.00 -0.07 0.37 -1.14 -1.08 0.00 0.00 175.30 173.38 1gqo s GLN 25 N -2.10 3.96 0.51 3.89 0.74 -1.26 -5.04 119.66 120.36 1gqo s GLN 25 Ca -0.10 0.30 0.05 0.00 0.05 0.00 0.00 55.36 55.66 1gqo s GLN 25 Cb -0.05 -3.28 0.01 0.00 1.10 0.00 0.00 33.01 30.79 1gqo s GLN 25 CO -0.03 0.57 0.27 0.95 -0.55 0.00 0.00 175.29 176.49 1gqo s THR 26 N -0.62 1.70 0.24 -0.34 -4.23 -1.26 -3.86 115.64 107.26 1gqo s THR 26 Ca 0.22 -1.64 -0.03 0.00 -1.18 0.00 0.00 61.69 59.05 1gqo s THR 26 Cb -0.15 -2.35 0.09 0.00 1.34 0.00 0.00 72.50 71.43 1gqo s THR 26 CO 0.10 0.00 1.72 0.25 -0.54 0.00 0.00 174.62 176.15 1gqo h LEU 27 N 1.03 0.79 -0.40 4.79 5.85 -1.83 -2.10 115.31 123.44 1gqo h LEU 27 Ca -0.40 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.08 1gqo h LEU 27 Cb 1.29 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1gqo h LEU 27 CO 0.64 0.89 0.14 0.74 -0.34 0.00 0.00 178.44 180.51 1gqo h THR 28 N 0.74 1.21 -0.43 1.05 2.02 -1.95 -1.30 112.91 114.25 1gqo h THR 28 Ca 0.13 -0.65 0.06 0.00 0.77 0.00 0.00 66.41 66.72 1gqo h THR 28 Cb 0.54 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 1gqo h THR 28 CO 0.03 0.23 0.10 0.44 0.37 0.00 0.00 175.52 176.69 1gqo h ASP 29 N 0.49 0.05 -0.84 4.18 3.32 -1.88 -0.29 116.42 121.45 1gqo h ASP 29 Ca 0.13 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1gqo h ASP 29 Cb 0.22 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 1gqo h ASP 29 CO -0.01 0.06 0.47 0.40 -1.72 0.00 0.00 179.24 178.44 1gqo h ILE 30 N 0.24 1.24 -0.55 0.35 2.04 -1.12 -1.89 117.51 117.82 1gqo h ILE 30 Ca 0.21 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 1gqo h ILE 30 Cb 0.24 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1gqo h ILE 30 CO -0.26 0.27 0.03 -0.08 0.00 0.00 0.00 178.15 178.11 1gqo h GLU 31 N 1.18 0.93 0.27 2.37 4.81 -0.53 -0.64 114.58 122.96 1gqo h GLU 31 Ca 0.30 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1gqo h GLU 31 Cb 0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1gqo h GLU 31 CO -0.05 0.90 -0.13 1.15 -0.73 0.00 0.00 179.01 180.15 1gqo h THR 32 N 0.86 0.74 -0.89 0.32 2.02 -0.53 0.49 112.91 115.92 1gqo h THR 32 Ca 0.17 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.29 1gqo h THR 32 Cb 0.47 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1gqo h THR 32 CO 0.02 0.02 0.58 0.44 0.37 0.00 0.00 175.52 176.95 1gqo h ASP 33 N -0.41 0.99 -0.19 4.18 3.32 -1.17 -1.83 116.42 121.30 1gqo h ASP 33 Ca -0.04 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1gqo h ASP 33 Cb 0.31 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1gqo h ASP 33 CO 0.06 0.69 0.10 -0.07 -1.72 0.00 0.00 179.24 178.30 1gqo h LEU 34 N 1.16 0.25 -0.20 1.55 3.38 -0.68 -0.58 115.31 120.18 1gqo h LEU 34 Ca 0.35 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1gqo h LEU 34 Cb -0.05 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1gqo h LEU 34 CO -0.10 0.29 -0.25 -0.26 0.09 0.00 0.00 178.44 178.20 1gqo h PHE 35 N 0.19 -0.68 -0.29 1.13 -1.00 -0.68 0.21 116.94 115.82 1gqo h PHE 35 Ca 0.07 0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.82 1gqo h PHE 35 Cb 0.10 0.33 -0.02 0.00 3.61 0.00 0.00 35.95 39.98 1gqo h PHE 35 CO -0.03 -0.33 -0.09 1.96 -1.61 0.00 0.00 178.31 178.21 1gqo h GLN 36 N -0.28 0.48 -0.08 1.51 4.20 -1.02 -0.83 115.11 119.09 1gqo h GLN 36 Ca 0.12 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1gqo h GLN 36 Cb 0.47 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1gqo h GLN 36 CO -0.37 0.58 -0.42 0.35 -0.67 0.00 0.00 178.83 178.30 1gqo h PHE 37 N 0.45 0.20 -0.38 2.96 3.57 -0.77 -0.36 116.94 122.61 1gqo h PHE 37 Ca 0.09 -0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.38 1gqo h PHE 37 Cb 0.43 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1gqo h PHE 37 CO 0.01 0.57 -0.38 0.00 -2.23 0.00 0.00 178.31 176.29 1gqo h ALA 38 N 1.42 0.60 0.38 2.41 0.00 0.43 -2.83 119.26 121.67 1gqo h ALA 38 Ca 0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1gqo h ALA 38 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1gqo h ALA 38 CO 0.06 0.68 -0.35 0.93 0.00 0.00 0.00 179.25 180.57 1gqo h GLU 39 N 0.75 -0.72 -0.09 0.00 3.07 -0.72 0.23 114.58 117.10 1gqo h GLU 39 Ca 0.06 0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.00 1gqo h GLU 39 Cb 0.97 0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1gqo h GLU 39 CO 0.09 -0.48 0.21 0.00 -1.40 0.00 0.00 179.01 177.44 1gqo h ALA 40 N -0.30 1.45 -0.10 3.43 0.00 -0.92 -0.30 119.26 122.54 1gqo h ALA 40 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gqo h ALA 40 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1gqo h ALA 40 CO -0.04 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.23 1gqo n LEU 41 N -3.29 2.25 -1.27 0.00 4.77 -1.08 -4.97 117.00 113.41 1gqo n LEU 41 Ca -0.00 -1.21 -0.09 0.00 -0.03 0.00 0.00 56.01 54.67 1gqo n LEU 41 Cb 0.30 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1gqo n LEU 41 CO 0.21 0.46 -0.05 1.41 -1.33 0.00 0.00 177.39 178.09 1gqo n HIS 42 N 0.69 -0.68 -4.39 -1.77 8.25 -0.12 -5.03 115.22 112.17 1gqo n HIS 42 Ca 0.09 0.14 -0.25 0.00 -0.26 0.00 0.00 57.72 57.43 1gqo n HIS 42 Cb 0.34 -2.42 -0.12 0.00 1.12 0.00 0.00 29.99 28.92 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 -2.66 2.16 0.03 1.59 -4.36 0.73 -4.64 121.20 114.04 1gqo s ILE 43 Ca 0.08 -1.99 -0.06 0.00 -0.26 0.00 0.00 60.65 58.42 1gqo s ILE 43 Cb -0.03 -2.02 -0.05 0.00 1.25 0.00 0.00 42.46 41.61 1gqo s ILE 43 CO 0.10 -0.19 0.27 -1.10 0.24 0.00 0.00 174.94 174.26 1gqo s GLN 44 N -2.71 3.56 0.03 0.37 -0.21 0.81 -4.24 119.66 117.27 1gqo s GLN 44 Ca 0.19 -0.12 0.04 0.00 0.02 0.00 0.00 55.36 55.49 1gqo s GLN 44 Cb -0.07 -3.05 -0.02 0.00 1.00 0.00 0.00 33.01 30.87 1gqo s GLN 44 CO 0.09 0.63 -0.13 -0.51 -2.12 0.00 0.00 175.29 173.25 1gqo s LEU 45 N -1.93 2.16 -0.05 2.90 1.43 -1.26 -0.36 118.68 121.58 1gqo s LEU 45 Ca 0.30 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1gqo s LEU 45 Cb -0.13 -0.53 -0.00 0.00 0.03 0.00 0.00 46.19 45.56 1gqo s LEU 45 CO 0.18 0.01 -0.16 -0.89 0.23 0.00 0.00 176.35 175.72 1gqo s THR 46 N -0.84 1.36 -0.10 5.49 2.01 -0.77 -4.94 115.64 117.85 1gqo s THR 46 Ca 0.00 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 1gqo s THR 46 Cb -0.08 -1.18 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1gqo s THR 46 CO 0.01 0.40 0.03 -0.36 -0.69 0.00 0.00 174.62 174.00 1gqo s PHE 47 N 0.12 3.24 -0.13 4.92 0.40 -1.26 -1.03 117.98 124.24 1gqo s PHE 47 Ca -0.05 0.21 -0.07 0.00 -0.60 0.00 0.00 56.93 56.42 1gqo s PHE 47 Cb -0.12 -1.85 0.05 0.00 0.51 0.00 0.00 43.02 41.61 1gqo s PHE 47 CO 0.02 0.46 0.31 0.12 0.70 0.00 0.00 175.22 176.83 1gqo s PHE 48 N -0.71 -0.43 0.00 0.36 5.36 -0.80 -4.97 117.98 116.79 1gqo s PHE 48 Ca 0.12 0.97 0.05 0.00 -0.96 0.00 0.00 56.93 57.10 1gqo s PHE 48 Cb -0.12 0.13 -0.01 0.00 -0.34 0.00 0.00 43.02 42.68 1gqo s PHE 48 CO 0.02 -0.27 -0.14 -1.14 -1.46 0.00 0.00 175.22 172.23 1gqo s GLN 49 N 1.27 1.12 -0.04 10.12 -0.44 -1.26 -0.91 119.66 129.52 1gqo s GLN 49 Ca -0.09 -0.58 -0.25 0.00 -2.50 0.00 0.00 55.36 51.94 1gqo s GLN 49 Cb -0.09 -1.10 0.05 0.00 -1.64 0.00 0.00 33.01 30.23 1gqo s GLN 49 CO -0.10 0.29 0.54 0.45 0.50 0.00 0.00 175.29 176.98 1gqo s SER 50 N -0.54 -0.48 0.00 6.67 0.15 -0.76 -4.98 113.70 113.75 1gqo s SER 50 Ca 0.05 0.49 0.28 0.00 0.70 0.00 0.00 55.95 57.46 1gqo s SER 50 Cb -0.06 0.46 0.97 0.00 -1.71 0.00 0.00 66.02 65.68 1gqo s SER 50 CO -0.00 -0.55 1.70 0.59 1.20 0.00 0.00 173.24 176.18 1gqo n ASN 51 N 1.07 1.16 -4.60 5.45 3.02 -1.26 -2.44 115.26 117.65 1gqo n ASN 51 Ca -0.20 -1.14 -0.38 0.00 -0.03 0.00 0.00 54.58 52.83 1gqo n ASN 51 Cb 0.57 0.05 -0.10 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 -2.26 3.24 0.17 3.10 3.76 -1.26 -4.68 115.29 117.36 1gqo s HIS 52 Ca 0.32 0.21 -0.17 0.00 -0.15 0.00 0.00 55.06 55.26 1gqo s HIS 52 Cb 0.20 -2.41 0.10 0.00 1.11 0.00 0.00 32.58 31.58 1gqo s HIS 52 CO 0.43 -0.14 1.66 1.49 -0.85 0.00 0.00 174.74 177.33 1gqo h GLU 53 N 8.19 -0.03 -0.54 1.40 4.81 -2.01 -1.94 114.58 124.46 1gqo h GLU 53 Ca -0.35 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.98 1gqo h GLU 53 Cb 1.18 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1gqo h GLU 53 CO 0.59 -0.02 0.37 0.78 -0.73 0.00 0.00 179.01 180.00 1gqo h GLY 54 N -0.03 0.48 1.68 1.92 0.00 -1.99 -0.97 103.07 104.16 1gqo h GLY 54 Ca 0.19 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 1gqo h GLY 54 CO -0.43 0.09 -0.30 -0.55 0.00 0.00 0.00 176.54 175.35 1gqo h ASP 55 N 0.35 0.38 -0.25 0.19 3.32 -1.77 -1.14 116.42 117.49 1gqo h ASP 55 Ca 0.25 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 1gqo h ASP 55 Cb 0.52 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1gqo h ASP 55 CO -0.06 0.67 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.57 1gqo h LEU 56 N 0.33 0.86 -0.10 1.55 3.38 -1.06 -1.35 115.31 118.91 1gqo h LEU 56 Ca 0.04 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1gqo h LEU 56 Cb 0.70 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1gqo h LEU 56 CO 0.05 1.24 0.03 0.40 0.09 0.00 0.00 178.44 180.26 1gqo h ILE 57 N 0.51 0.98 -0.39 1.22 2.04 -1.25 -0.87 117.51 119.75 1gqo h ILE 57 Ca 0.01 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.90 1gqo h ILE 57 Cb 1.09 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 1gqo h ILE 57 CO 0.11 0.02 0.08 0.44 0.00 0.00 0.00 178.15 178.79 1gqo h ASP 58 N 0.09 0.02 -0.02 1.72 3.32 -1.08 -1.61 116.42 118.86 1gqo h ASP 58 Ca 0.04 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 1gqo h ASP 58 Cb 0.02 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1gqo h ASP 58 CO -0.04 0.05 -0.17 0.00 -1.72 0.00 0.00 179.24 177.36 1gqo h ALA 59 N 1.29 1.34 -0.22 3.45 0.00 -0.95 -1.85 119.26 122.32 1gqo h ALA 59 Ca 0.19 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1gqo h ALA 59 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1gqo h ALA 59 CO -0.24 0.45 -0.49 0.82 0.00 0.00 0.00 179.25 179.79 1gqo h ILE 60 N 0.32 1.31 -0.60 0.00 2.04 -0.60 -0.71 117.51 119.27 1gqo h ILE 60 Ca 0.06 -1.70 -0.02 0.00 1.00 0.00 0.00 64.86 64.20 1gqo h ILE 60 Cb 0.49 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 1gqo h ILE 60 CO 0.03 0.54 0.31 0.45 0.00 0.00 0.00 178.15 179.48 1gqo h HIS 61 N 0.44 0.85 0.00 1.37 3.86 -1.05 -2.73 115.15 117.88 1gqo h HIS 61 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1gqo h HIS 61 Cb 1.10 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1gqo h HIS 61 CO 0.09 0.63 0.00 0.93 0.86 0.00 0.00 177.93 180.43 1gqo h GLU 62 N 0.82 0.00 -0.55 2.45 5.08 -1.22 -3.32 114.58 117.85 1gqo h GLU 62 Ca 0.21 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1gqo h GLU 62 Cb 0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1gqo h GLU 62 CO -0.03 0.00 0.20 0.00 -1.00 0.00 0.00 179.01 178.18 1gqo h ALA 63 N 2.35 1.32 -1.03 3.43 0.00 -0.80 -3.22 119.26 121.33 1gqo h ALA 63 Ca 0.00 -0.16 0.27 0.00 0.00 0.00 0.00 54.91 55.02 1gqo h ALA 63 Cb 0.62 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1gqo h ALA 63 CO 0.00 0.50 0.68 1.49 0.00 0.00 0.00 179.25 181.92 1gqo h GLU 64 N 0.79 0.30 -0.68 0.00 4.57 -1.69 0.21 114.58 118.07 1gqo h GLU 64 Ca 0.18 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1gqo h GLU 64 Cb 0.19 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1gqo h GLU 64 CO -0.01 0.20 0.00 0.39 -1.18 0.00 0.00 179.01 178.41 1gqo n GLU 65 N -4.51 2.64 0.00 1.92 1.02 -1.21 -4.56 120.64 115.93 1gqo n GLU 65 Ca 0.24 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.84 1gqo n GLU 65 Cb 0.90 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 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 1.58 2.92 -4.56 3.49 7.27 0.45 -5.13 117.38 123.40 1gqo n GLN 66 Ca 0.23 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 57.04 1gqo n GLN 66 Cb 0.60 -0.45 -0.11 0.00 2.41 0.00 0.00 30.24 32.70 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 -0.46 2.40 -0.79 3.69 1.51 0.33 -4.90 117.35 119.13 1gqo s TYR 67 Ca 0.00 -0.59 0.10 0.00 -1.01 0.00 0.00 57.07 55.57 1gqo s TYR 67 Cb 0.00 -1.51 0.29 0.00 -0.11 0.00 0.00 41.96 40.62 1gqo s TYR 67 CO 0.00 0.49 1.24 -1.13 -1.11 0.00 0.00 175.55 175.04 1gqo n SER 68 N -0.84 2.88 0.00 2.29 3.41 -0.91 -4.73 113.62 115.71 1gqo n SER 68 Ca -0.05 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 1gqo n SER 68 Cb 0.65 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1gqo n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqo n GLY 69 N 0.35 0.98 3.04 5.00 0.00 -1.26 -4.45 105.19 108.85 1gqo n GLY 69 Ca 0.11 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 1gqo n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqo s ILE 70 N -2.00 1.01 -0.41 -0.61 1.01 -0.34 -2.04 121.20 117.82 1gqo s ILE 70 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.04 1gqo s ILE 70 Cb 0.00 -0.89 0.04 0.00 0.01 0.00 0.00 42.46 41.62 1gqo s ILE 70 CO 0.00 0.31 0.29 -0.69 0.00 0.00 0.00 174.94 174.84 1gqo s VAL 71 N 0.18 4.93 -0.21 2.92 1.01 -0.18 -1.39 120.40 127.68 1gqo s VAL 71 Ca -0.04 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 1gqo s VAL 71 Cb -0.10 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1gqo s VAL 71 CO 0.01 -0.36 0.03 -0.22 0.00 0.00 0.00 175.10 174.56 1gqo s LEU 72 N 1.60 3.42 -0.38 3.92 2.96 -0.21 -0.95 118.68 129.04 1gqo s LEU 72 Ca 0.04 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1gqo s LEU 72 Cb -0.21 -1.88 0.11 0.00 0.50 0.00 0.00 46.19 44.72 1gqo s LEU 72 CO 0.07 0.07 0.12 0.21 -1.32 0.00 0.00 176.35 175.50 1gqo s ASN 73 N 0.98 4.88 0.00 3.68 3.84 -0.17 -1.44 114.94 126.72 1gqo s ASN 73 Ca 0.03 -2.22 0.19 0.00 0.21 0.00 0.00 52.86 51.07 1gqo s ASN 73 Cb -0.14 -1.69 0.76 0.00 -0.55 0.00 0.00 41.25 39.63 1gqo s ASN 73 CO 0.02 -0.41 1.54 -0.81 -2.79 0.00 0.00 177.10 174.66 1gqo n PRO 74 N 4.22 1.61 0.00 0.43 -0.04 -1.26 -0.22 135.00 139.73 1gqo n PRO 74 Ca 0.03 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 1gqo n PRO 74 Cb 0.41 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.06 0.79 0.00 0.55 0.00 -1.26 -2.56 105.19 103.77 1gqo n GLY 75 Ca 0.15 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1gqo n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqo n ALA 76 N 2.76 1.07 0.32 4.61 0.00 -1.26 -1.94 120.51 126.08 1gqo n ALA 76 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1gqo n ALA 76 Cb 0.00 -0.97 0.55 0.00 0.00 0.00 0.00 19.45 19.04 1gqo n ALA 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1gqo h LEU 77 N 0.00 0.00 -0.87 0.00 3.38 -1.87 -2.10 115.31 113.85 1gqo h LEU 77 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1gqo h LEU 77 Cb 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 1gqo h LEU 77 CO 0.00 0.00 0.50 -1.28 0.09 0.00 0.00 178.44 177.75 1gqo h SER 78 N 0.00 0.71 0.81 -0.43 0.87 -1.55 -0.64 113.55 113.31 1gqo h SER 78 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1gqo h SER 78 Cb 0.26 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1gqo h SER 78 CO 0.00 0.38 -0.04 1.41 -0.53 0.00 0.00 176.83 178.05 1gqo n HIS 79 N -4.74 0.00 -0.25 2.24 8.25 -0.79 -0.10 115.22 119.83 1gqo n HIS 79 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1gqo n HIS 79 Cb 0.33 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.41 0.00 -2.41 4.41 0.18 -1.10 -4.70 117.16 112.13 1gqo n TYR 80 Ca 0.09 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.45 1gqo n TYR 80 Cb 0.31 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.27 1gqo n TYR 80 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1gqo n SER 81 N 0.00 4.73 0.30 9.48 2.88 -0.27 -4.77 113.62 125.96 1gqo n SER 81 Ca 0.00 -2.91 0.16 0.00 -1.33 0.00 0.00 58.87 54.78 1gqo n SER 81 Cb 0.00 -1.70 0.92 0.00 -0.75 0.00 0.00 64.21 62.68 1gqo n SER 81 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1gqo h TYR 82 N 7.11 0.00 -0.29 0.66 -1.99 -1.91 -1.65 116.97 118.90 1gqo h TYR 82 Ca 0.46 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 61.09 1gqo h TYR 82 Cb 0.81 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 1gqo h TYR 82 CO 1.40 0.02 -0.25 0.00 -0.00 0.00 0.00 178.16 179.33 1gqo h ALA 83 N 1.98 1.04 -0.24 3.88 0.00 -1.98 -1.92 119.26 122.03 1gqo h ALA 83 Ca -0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1gqo h ALA 83 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1gqo h ALA 83 CO 0.00 0.58 -0.40 0.82 0.00 0.00 0.00 179.25 180.25 1gqo h ILE 84 N 0.49 1.30 -0.53 0.00 2.04 -1.69 -2.53 117.51 116.59 1gqo h ILE 84 Ca 0.07 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.37 1gqo h ILE 84 Cb 0.69 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1gqo h ILE 84 CO 0.05 0.49 0.32 -0.09 0.00 0.00 0.00 178.15 178.93 1gqo h ARG 85 N 0.46 0.72 -0.05 2.37 2.43 -1.20 -1.60 114.38 117.50 1gqo h ARG 85 Ca 0.04 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1gqo h ARG 85 Cb 0.90 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1gqo h ARG 85 CO 0.08 0.52 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.34 1gqo h ASP 86 N 0.71 0.09 -0.32 -3.80 3.32 -1.32 -2.11 116.42 113.00 1gqo h ASP 86 Ca 0.19 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 1gqo h ASP 86 Cb -0.02 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1gqo h ASP 86 CO -0.04 0.37 -0.20 0.00 -1.72 0.00 0.00 179.24 177.65 1gqo h ALA 87 N 1.64 0.45 -0.78 3.45 0.00 -1.03 -1.53 119.26 121.46 1gqo h ALA 87 Ca 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1gqo h ALA 87 Cb 0.53 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1gqo h ALA 87 CO 0.04 0.40 0.35 0.28 0.00 0.00 0.00 179.25 180.31 1gqo h VAL 88 N 0.46 1.25 0.00 0.00 2.07 -1.06 -1.80 116.25 117.17 1gqo h VAL 88 Ca 0.06 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1gqo h VAL 88 Cb 0.75 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1gqo h VAL 88 CO 0.06 0.31 -0.22 0.28 0.02 0.00 0.00 177.57 178.02 1gqo h SER 89 N 1.12 0.00 -0.09 0.57 0.02 -1.18 -2.88 113.55 111.11 1gqo h SER 89 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1gqo h SER 89 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1gqo h SER 89 CO -0.03 0.22 0.00 -1.54 -1.14 0.00 0.00 176.83 174.34 1gqo n SER 90 N -4.26 0.97 -4.64 3.07 3.41 -0.59 -4.89 113.62 106.69 1gqo n SER 90 Ca -0.02 -1.55 -0.26 0.00 -0.26 0.00 0.00 58.87 56.78 1gqo n SER 90 Cb 0.28 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.89 2.32 -1.27 -1.33 -4.36 -1.09 -5.04 121.20 108.54 1gqo s ILE 91 Ca 0.32 -1.94 0.22 0.00 -0.26 0.00 0.00 60.65 58.98 1gqo s ILE 91 Cb 0.16 -2.88 -0.16 0.00 1.25 0.00 0.00 42.46 40.83 1gqo s ILE 91 CO 0.26 -0.09 0.98 -1.54 0.24 0.00 0.00 174.94 174.78 1gqo n SER 92 N -1.01 1.23 -4.81 4.36 3.41 -1.26 -4.96 113.62 110.58 1gqo n SER 92 Ca -0.04 -1.09 -0.33 0.00 -0.26 0.00 0.00 58.87 57.15 1gqo n SER 92 Cb 0.64 0.82 -0.05 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 -2.86 3.87 0.09 1.04 1.43 -1.26 -5.01 118.68 115.97 1gqo s LEU 93 Ca 0.11 1.77 -0.31 0.00 -1.03 0.00 0.00 54.13 54.67 1gqo s LEU 93 Cb 0.17 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.77 1gqo s LEU 93 CO 0.78 -0.55 1.34 -2.16 0.23 0.00 0.00 176.35 175.99 1gqo s PRO 94 N -3.29 4.35 -0.03 1.29 0.04 -1.26 -4.90 135.00 131.21 1gqo s PRO 94 Ca 0.64 1.98 0.06 0.00 0.04 0.00 0.00 61.00 63.71 1gqo s PRO 94 Cb -0.12 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1gqo s PRO 94 CO 0.17 -0.40 -0.20 0.08 0.04 0.00 0.00 177.00 176.69 1gqo s VAL 95 N 1.23 2.57 -0.21 -0.36 1.01 -1.26 -1.20 120.40 122.18 1gqo s VAL 95 Ca 0.63 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1gqo s VAL 95 Cb -0.34 -1.97 0.04 0.00 0.00 0.00 0.00 36.38 34.11 1gqo s VAL 95 CO 0.29 0.56 -0.11 -0.69 0.00 0.00 0.00 175.10 175.15 1gqo s VAL 96 N -0.70 1.75 0.25 2.92 1.01 -0.48 -1.26 120.40 123.89 1gqo s VAL 96 Ca 0.11 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 1gqo s VAL 96 Cb -0.10 -1.82 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 1gqo s VAL 96 CO 0.00 0.15 1.06 -0.70 0.00 0.00 0.00 175.10 175.61 1gqo s GLU 97 N 1.34 4.69 -0.02 2.72 2.12 -0.66 -1.05 118.70 127.85 1gqo s GLU 97 Ca -0.02 1.71 0.01 0.00 0.36 0.00 0.00 54.97 57.03 1gqo s GLU 97 Cb -0.17 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.00 1gqo s GLU 97 CO -0.08 0.27 -0.03 0.08 -0.54 0.00 0.00 175.26 174.96 1gqo s VAL 98 N -1.00 0.33 -0.03 3.70 1.01 -0.52 -0.82 120.40 123.06 1gqo s VAL 98 Ca 0.44 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.37 1gqo s VAL 98 Cb -0.30 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 1gqo s VAL 98 CO 0.38 0.13 -0.14 -1.00 0.00 0.00 0.00 175.10 174.47 1gqo s HIS 99 N 0.40 1.43 -0.07 5.22 3.76 -0.40 -4.30 115.29 121.33 1gqo s HIS 99 Ca -0.04 -0.38 -0.26 0.00 -0.15 0.00 0.00 55.06 54.23 1gqo s HIS 99 Cb -0.08 -0.97 -0.22 0.00 1.11 0.00 0.00 32.58 32.43 1gqo s HIS 99 CO -0.01 -0.13 1.00 -0.07 -0.85 0.00 0.00 174.74 174.69 1gqo h LEU 100 N 6.23 -0.02-10.40 0.89 4.07 -1.86 -2.27 115.31 111.95 1gqo h LEU 100 Ca -0.33 -0.66 -0.50 0.00 0.08 0.00 0.00 57.88 56.47 1gqo h LEU 100 Cb 1.17 0.01 0.06 0.00 1.08 0.00 0.00 40.66 42.98 1gqo h LEU 100 CO 0.48 0.67 0.34 -0.94 -1.08 0.00 0.00 178.44 177.91 1gqo s SER 101 N -5.87 5.85 -0.90 -0.43 1.04 -1.26 -1.66 113.70 110.47 1gqo s SER 101 Ca -0.16 1.14 -0.24 0.00 0.48 0.00 0.00 55.95 57.17 1gqo s SER 101 Cb -0.00 -2.12 0.05 0.00 0.10 0.00 0.00 66.02 64.04 1gqo s SER 101 CO 0.64 -1.03 1.33 0.21 0.98 0.00 0.00 173.24 175.38 1gqo s ASN 102 N -4.25 6.39 0.40 7.02 3.84 -1.26 -2.58 114.94 124.50 1gqo s ASN 102 Ca 0.55 -1.17 0.11 0.00 0.21 0.00 0.00 52.86 52.56 1gqo s ASN 102 Cb -0.11 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.97 1gqo s ASN 102 CO 0.51 -1.56 1.96 -0.07 -2.79 0.00 0.00 177.10 175.14 1gqo h LEU 103 N 12.54 0.49 -1.85 3.21 3.38 -1.92 -1.83 115.31 129.33 1gqo h LEU 103 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1gqo h LEU 103 Cb 1.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1gqo h LEU 103 CO 1.34 0.30 0.00 1.88 0.09 0.00 0.00 178.44 182.04 1gqo h TYR 104 N 0.55 0.00 -0.63 1.13 0.99 -1.89 -1.48 116.97 115.64 1gqo h TYR 104 Ca 0.31 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.04 1gqo h TYR 104 Cb 0.48 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.21 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 -2.04 2.39 -2.46 3.88 0.00 -0.69 -4.96 120.51 116.62 1gqo n ALA 105 Ca -0.00 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1gqo n ALA 105 Cb 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.63 3.47 -1.80 0.00 1.74 -0.56 -5.08 116.66 116.06 1gqo n ARG 106 Ca 0.23 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.93 1gqo n ARG 106 Cb 0.62 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.11 1gqo n ARG 106 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1gqo s GLU 107 N 2.08 2.99 0.48 5.56 8.01 -1.26 -4.88 118.70 131.68 1gqo s GLU 107 Ca 0.00 2.15 0.15 0.00 0.01 0.00 0.00 54.97 57.28 1gqo s GLU 107 Cb 0.00 -2.13 1.16 0.00 -4.31 0.00 0.00 34.13 28.85 1gqo s GLU 107 CO 0.00 -1.28 2.08 1.49 0.01 0.00 0.00 175.26 177.56 1gqo h GLU 108 N 1.20 0.18 0.00 1.61 4.81 -1.95 -1.50 114.58 118.93 1gqo h GLU 108 Ca -0.51 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 1gqo h GLU 108 Cb 1.31 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1gqo h GLU 108 CO 0.56 0.12 -0.14 0.27 -0.73 0.00 0.00 179.01 179.09 1gqo h PHE 109 N 0.19 0.00 0.00 0.92 -5.15 -1.97 -1.48 116.94 109.45 1gqo h PHE 109 Ca 0.11 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.88 1gqo h PHE 109 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.37 1gqo h PHE 109 CO -0.00 0.14 0.00 0.54 -2.00 0.00 0.00 178.31 176.99 1gqo n ARG 110 N -4.32 0.28 -0.03 6.09 1.74 -0.56 -3.80 116.66 116.05 1gqo n ARG 110 Ca -0.03 0.08 0.11 0.00 -0.77 0.00 0.00 57.85 57.24 1gqo n ARG 110 Cb 0.21 -1.50 0.54 0.00 -1.02 0.00 0.00 32.46 30.69 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 -1.32 0.07 -4.24 -1.55 8.25 -0.56 -4.73 115.22 111.15 1gqo n HIS 111 Ca 0.10 -0.04 -0.17 0.00 -0.26 0.00 0.00 57.72 57.35 1gqo n HIS 111 Cb 0.19 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.17 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 -1.93 0.66 -0.15 -0.41 0.00 -1.25 -5.02 119.66 111.57 1gqo s GLN 112 Ca 0.33 -0.51 -0.03 0.00 -0.00 0.00 0.00 55.36 55.16 1gqo s GLN 112 Cb 0.16 -0.60 -0.02 0.00 0.00 0.00 0.00 33.01 32.56 1gqo s GLN 112 CO 0.26 0.15 -0.07 0.45 0.00 0.00 0.00 175.29 176.08 1gqo s SER 113 N -0.76 4.51 0.00 12.60 0.15 -1.26 -4.14 113.70 124.81 1gqo s SER 113 Ca -0.01 -0.21 0.27 0.00 0.70 0.00 0.00 55.95 56.71 1gqo s SER 113 Cb -0.06 -1.72 0.88 0.00 -1.71 0.00 0.00 66.02 63.41 1gqo s SER 113 CO 0.00 0.16 1.65 1.33 1.20 0.00 0.00 173.24 177.58 1gqo n VAL 114 N 3.58 0.00 -0.05 4.45 0.24 0.86 -3.96 118.33 123.45 1gqo n VAL 114 Ca -0.18 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1gqo n VAL 114 Cb 0.52 0.12 -0.14 0.00 -1.47 0.00 0.00 33.84 32.88 1gqo n VAL 114 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1gqo n ILE 115 N -1.04 1.58 -0.36 1.34 5.41 -1.26 -4.56 119.36 120.48 1gqo n ILE 115 Ca 0.11 -0.75 0.08 0.00 1.00 0.00 0.00 62.75 63.19 1gqo n ILE 115 Cb 0.32 -1.12 0.25 0.00 -0.71 0.00 0.00 39.64 38.38 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 0.64 1.54 -0.28 -1.39 0.00 -1.91 -1.91 119.26 115.95 1gqo h ALA 116 Ca -0.42 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.60 1gqo h ALA 116 Cb 2.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1gqo h ALA 116 CO 0.05 0.20 0.30 -1.35 0.00 0.00 0.00 179.25 178.45 1gqo h PRO 117 N 0.98 0.00 -0.02 0.00 0.11 -1.80 -1.42 132.00 129.84 1gqo h PRO 117 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1gqo h PRO 117 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1gqo h PRO 117 CO -0.27 0.00 -0.05 1.33 -0.21 0.00 0.00 178.00 178.79 1gqo n VAL 118 N -3.81 0.00 -2.41 3.15 0.24 -0.73 -4.99 118.33 109.79 1gqo n VAL 118 Ca 0.04 -0.47 -0.22 0.00 -2.04 0.00 0.00 64.34 61.65 1gqo n VAL 118 Cb 0.45 1.35 0.12 0.00 -1.47 0.00 0.00 33.84 34.29 1gqo n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gqo n ALA 119 N 0.84 -0.16 0.00 2.33 0.00 -0.54 -4.73 120.51 118.26 1gqo n ALA 119 Ca 0.10 -1.71 -0.18 0.00 0.00 0.00 0.00 53.44 51.65 1gqo n ALA 119 Cb 0.43 0.21 -0.10 0.00 0.00 0.00 0.00 19.45 19.99 1gqo n ALA 119 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1gqo h LYS 120 N 0.00 0.52 0.00 0.00 1.79 -1.44 -3.49 116.57 113.96 1gqo h LYS 120 Ca -0.32 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 57.63 1gqo h LYS 120 Cb 1.09 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1gqo h LYS 120 CO 0.31 1.16 0.00 0.41 -1.08 0.00 0.00 179.45 180.24 1gqo n GLY 121 N 0.98 -1.23 2.97 3.86 0.00 -1.25 -5.07 105.19 105.45 1gqo n GLY 121 Ca -0.10 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.48 0.15 -0.10 1.61 0.74 -1.26 -1.65 119.66 117.67 1gqo s GLN 122 Ca 0.00 0.00 0.04 0.00 0.05 0.00 0.00 55.36 55.45 1gqo s GLN 122 Cb 0.00 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.18 1gqo s GLN 122 CO 0.00 -0.02 -0.23 0.42 -0.55 0.00 0.00 175.29 174.91 1gqo s ILE 123 N -0.21 1.99 -0.02 -2.34 1.01 -0.00 -4.97 121.20 116.65 1gqo s ILE 123 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1gqo s ILE 123 Cb -0.02 -1.72 0.03 0.00 0.01 0.00 0.00 42.46 40.75 1gqo s ILE 123 CO 0.00 0.54 0.02 -0.69 0.00 0.00 0.00 174.94 174.81 1gqo s VAL 124 N 0.36 0.02 0.00 2.92 1.01 -1.26 -1.28 120.40 122.17 1gqo s VAL 124 Ca -0.19 0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1gqo s VAL 124 Cb -0.18 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.07 1gqo s VAL 124 CO 0.09 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1gqo n GLY 125 N 4.07 0.67 1.50 4.51 0.00 -0.85 -4.86 105.19 110.24 1gqo n GLY 125 Ca -0.26 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 4.42 0.00 0.99 4.77 -1.21 -4.52 117.00 121.45 1gqo n LEU 126 Ca 0.00 -2.24 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 1gqo n LEU 126 Cb 0.00 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1gqo n LEU 126 CO 0.00 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1gqo n GLY 127 N 0.50 0.82 0.28 -0.72 0.00 -0.66 -3.26 105.19 102.14 1gqo n GLY 127 Ca 0.20 -0.85 0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.95 1.34 -0.71 4.61 0.00 -1.95 -1.41 119.26 120.20 1gqo h ALA 128 Ca 0.00 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.03 1gqo h ALA 128 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1gqo h ALA 128 CO 0.00 0.09 0.50 1.49 0.00 0.00 0.00 179.25 181.33 1gqo h GLU 129 N 0.00 0.09 -0.98 0.00 4.57 -1.97 -1.30 114.58 114.99 1gqo h GLU 129 Ca -0.00 -0.01 0.25 0.00 -1.18 0.00 0.00 59.36 58.42 1gqo h GLU 129 Cb 0.22 -0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 28.66 1gqo h GLU 129 CO 0.01 0.06 0.55 0.78 -1.18 0.00 0.00 179.01 179.23 1gqo h GLY 130 N 0.10 1.85 1.01 1.92 0.00 -1.26 0.73 103.07 107.41 1gqo h GLY 130 Ca 0.34 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1gqo h GLY 130 CO -0.04 -0.26 0.14 -0.97 0.00 0.00 0.00 176.54 175.41 1gqo h TYR 131 N 0.53 0.95 -0.42 5.60 -1.99 -1.43 -1.08 116.97 119.13 1gqo h TYR 131 Ca 0.63 -0.11 -0.03 0.00 2.00 0.00 0.00 58.73 61.22 1gqo h TYR 131 Cb 1.22 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.66 1gqo h TYR 131 CO -0.03 0.82 0.16 0.87 -0.00 0.00 0.00 178.16 179.98 1gqo h LYS 132 N 0.81 0.64 -0.73 4.88 1.57 -1.01 -0.96 116.57 121.77 1gqo h LYS 132 Ca 0.18 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1gqo h LYS 132 Cb 0.35 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1gqo h LYS 132 CO 0.00 0.60 0.35 -0.07 -0.57 0.00 0.00 179.45 179.76 1gqo h LEU 133 N 0.54 0.93 -0.61 2.94 3.38 -1.04 0.02 115.31 121.48 1gqo h LEU 133 Ca 0.14 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1gqo h LEU 133 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1gqo h LEU 133 CO -0.01 0.79 -0.10 0.00 0.09 0.00 0.00 178.44 179.21 1gqo h ALA 134 N 1.35 0.81 -0.68 1.53 0.00 -0.65 -0.01 119.26 121.61 1gqo h ALA 134 Ca 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1gqo h ALA 134 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1gqo h ALA 134 CO -0.03 0.66 0.43 0.28 0.00 0.00 0.00 179.25 180.59 1gqo h VAL 135 N 0.89 1.19 -0.67 0.00 2.07 -0.10 0.28 116.25 119.90 1gqo h VAL 135 Ca 0.14 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1gqo h VAL 135 Cb 0.66 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1gqo h VAL 135 CO 0.05 0.19 0.20 0.03 0.02 0.00 0.00 177.57 178.05 1gqo h ARG 136 N 0.93 1.05 -0.75 1.57 3.08 -0.80 0.25 114.38 119.71 1gqo h ARG 136 Ca 0.25 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1gqo h ARG 136 Cb -0.06 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1gqo h ARG 136 CO -0.05 0.92 0.28 -0.92 -1.07 0.00 0.00 179.97 179.12 1gqo h TYR 137 N 0.98 1.16 -0.69 3.04 3.20 -0.28 -2.21 116.97 122.17 1gqo h TYR 137 Ca 0.21 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 1gqo h TYR 137 Cb 0.31 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1gqo h TYR 137 CO 0.02 0.90 0.31 -0.07 -1.64 0.00 0.00 178.16 177.68 1gqo h LEU 138 N 1.09 0.90 -0.28 2.82 4.07 -0.49 -1.70 115.31 121.71 1gqo h LEU 138 Ca 0.25 -0.11 0.04 0.00 0.08 0.00 0.00 57.88 58.14 1gqo h LEU 138 Cb 0.25 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 1gqo h LEU 138 CO -0.02 0.78 0.05 -0.07 -1.08 0.00 0.00 178.44 178.11 1gqo h LEU 139 N 0.99 0.01 -2.19 1.67 3.38 -0.37 -0.70 115.31 118.09 1gqo h LEU 139 Ca 0.24 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1gqo h LEU 139 Cb 0.13 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1gqo h LEU 139 CO -0.03 0.04 -0.06 0.77 0.09 0.00 0.00 178.44 179.25 1gqo h SER 140 N 0.16 0.00 0.00 -0.43 4.64 -0.92 -3.51 113.55 113.48 1gqo h SER 140 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1gqo h SER 140 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1gqo h SER 140 CO -0.17 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 175.85