#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqo s HIS 2 N 0.00 1.48 0.01 0.54 2.46 -1.26 -1.96 115.29 116.56 1gqo s HIS 2 Ca 0.00 -0.95 0.01 0.00 0.47 0.00 0.00 55.06 54.59 1gqo s HIS 2 Cb 0.00 -1.21 -0.04 0.00 -0.13 0.00 0.00 32.58 31.20 1gqo s HIS 2 CO 0.00 -0.58 0.03 -0.06 -2.47 0.00 0.00 174.74 171.65 1gqo s PHE 3 N 1.71 3.13 -0.23 3.88 2.99 -0.39 -0.82 117.98 128.24 1gqo s PHE 3 Ca 0.01 0.10 -0.13 0.00 0.00 0.00 0.00 56.93 56.91 1gqo s PHE 3 Cb -0.15 -1.67 -0.04 0.00 0.00 0.00 0.00 43.02 41.16 1gqo s PHE 3 CO -0.07 0.49 0.28 -1.17 -0.00 0.00 0.00 175.22 174.75 1gqo s LEU 4 N -1.74 4.11 -0.60 -0.37 0.20 -0.83 -1.05 118.68 118.39 1gqo s LEU 4 Ca 0.22 0.28 -0.16 0.00 0.69 0.00 0.00 54.13 55.16 1gqo s LEU 4 Cb -0.12 -2.31 0.15 0.00 -0.43 0.00 0.00 46.19 43.49 1gqo s LEU 4 CO 0.13 -0.04 0.56 -0.63 -0.29 0.00 0.00 176.35 176.08 1gqo s ILE 5 N 1.37 5.29 -0.20 6.68 -1.09 0.69 -1.49 121.20 132.45 1gqo s ILE 5 Ca 0.13 -1.71 -0.13 0.00 -2.23 0.00 0.00 60.65 56.71 1gqo s ILE 5 Cb -0.14 -4.36 -0.04 0.00 -1.58 0.00 0.00 42.46 36.33 1gqo s ILE 5 CO 0.07 -0.90 0.29 -0.22 -1.23 0.00 0.00 174.94 172.95 1gqo s LEU 6 N 1.29 4.17 -0.05 2.97 0.20 0.08 -1.96 118.68 125.39 1gqo s LEU 6 Ca 0.06 0.39 0.05 0.00 0.69 0.00 0.00 54.13 55.32 1gqo s LEU 6 Cb -0.26 -2.34 -0.01 0.00 -0.43 0.00 0.00 46.19 43.16 1gqo s LEU 6 CO 0.00 0.03 -0.21 0.20 -0.29 0.00 0.00 176.35 176.08 1gqo s ASN 7 N 0.84 2.57 0.33 3.68 0.01 0.19 -0.67 114.94 121.90 1gqo s ASN 7 Ca 0.14 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1gqo s ASN 7 Cb -0.14 -0.70 0.00 0.00 0.41 0.00 0.00 41.25 40.83 1gqo s ASN 7 CO 0.05 0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.45 1gqo n GLY 8 N 3.04 0.64 3.72 0.66 0.00 0.61 -1.65 105.19 112.20 1gqo n GLY 8 Ca -0.18 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.76 2.27 -0.44 1.61 -0.01 -0.99 -2.71 135.00 133.97 1gqo n PRO 9 Ca 0.00 0.80 0.00 0.00 -0.01 0.00 0.00 63.50 64.29 1gqo n PRO 9 Cb 0.00 -2.43 0.00 0.00 -0.01 0.00 0.00 33.50 31.06 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 0.88 0.00 0.18 2.55 3.02 -1.26 -4.49 115.26 116.13 1gqo n ASN 10 Ca 0.05 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.62 1gqo n ASN 10 Cb 0.36 -1.30 0.36 0.00 -0.61 0.00 0.00 39.78 38.59 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 1.26 0.00 2.41 2.07 -1.89 -2.61 116.25 117.49 1gqo h VAL 11 Ca 0.00 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1gqo h VAL 11 Cb 0.00 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1gqo h VAL 11 CO 0.00 0.36 0.07 -0.55 0.02 0.00 0.00 177.57 177.46 1gqo h ASN 12 N 0.03 0.00 -0.19 0.57 -1.07 -1.88 -2.76 115.58 110.27 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 0.64 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.89 1gqo h ASN 12 CO 0.05 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.09 1gqo n ARG 13 N -2.92 1.74 -1.66 4.14 5.12 -0.98 -4.63 116.66 117.47 1gqo n ARG 13 Ca -0.03 -1.12 -0.43 0.00 -1.93 0.00 0.00 57.85 54.34 1gqo n ARG 13 Cb 0.13 -1.38 -0.01 0.00 -1.16 0.00 0.00 32.46 30.04 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 0.35 2.94 -0.28 0.55 7.94 -1.04 -2.68 117.00 124.77 1gqo n LEU 14 Ca 0.16 1.20 -0.03 0.00 -1.11 0.00 0.00 56.01 56.22 1gqo n LEU 14 Cb 0.33 -1.42 -0.01 0.00 0.53 0.00 0.00 43.42 42.85 1gqo n LEU 14 CO 0.12 -0.79 -0.03 0.61 -1.11 0.00 0.00 177.39 176.19 1gqo n GLY 15 N 0.98 0.55 0.00 -3.96 0.00 -1.26 -4.19 105.19 97.32 1gqo n GLY 15 Ca 0.07 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.28 1gqo n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqo n SER 16 N 1.45 0.85 -3.59 1.61 3.41 -1.09 -4.91 113.62 111.35 1gqo n SER 16 Ca -0.03 -0.90 -0.08 0.00 -0.26 0.00 0.00 58.87 57.59 1gqo n SER 16 Cb 0.20 1.02 -0.02 0.00 -0.26 0.00 0.00 64.21 65.15 1gqo n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gqo s ARG 17 N -2.72 1.18 -0.19 4.33 1.70 -1.26 -5.09 118.95 116.90 1gqo s ARG 17 Ca 0.06 -0.53 -0.17 0.00 -0.47 0.00 0.00 55.73 54.62 1gqo s ARG 17 Cb 0.14 0.48 0.03 0.00 -0.57 0.00 0.00 34.95 35.02 1gqo s ARG 17 CO 0.74 -0.53 0.28 -0.85 -1.08 0.00 0.00 175.30 173.86 1gqo n GLU 18 N -0.37 -0.82 0.00 3.89 0.28 -1.26 -4.71 120.64 117.65 1gqo n GLU 18 Ca -0.10 0.61 0.05 0.00 -0.16 0.00 0.00 57.16 57.57 1gqo n GLU 18 Cb 0.62 -0.85 0.28 0.00 1.43 0.00 0.00 31.44 32.92 1gqo n GLU 18 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1gqo n PRO 19 N -0.05 0.17 -0.01 3.44 -0.02 -1.25 0.60 135.00 137.89 1gqo n PRO 19 Ca -0.04 0.17 -0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1gqo n PRO 19 Cb 0.30 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1gqo n PRO 19 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1gqo n GLU 20 N -1.26 0.05 0.15 -0.52 4.71 -1.26 -0.53 120.64 121.97 1gqo n GLU 20 Ca 0.05 0.28 -0.13 0.00 -0.01 0.00 0.00 57.16 57.35 1gqo n GLU 20 Cb 0.08 -0.84 -0.06 0.00 -1.01 0.00 0.00 31.44 29.61 1gqo n GLU 20 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1gqo h VAL 21 N -0.10 0.46 -0.00 2.62 2.07 -1.93 -3.19 116.25 116.18 1gqo h VAL 21 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1gqo h VAL 21 Cb 0.05 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1gqo h VAL 21 CO 0.00 0.00 -0.41 0.49 0.02 0.00 0.00 177.57 177.67 1gqo n PHE 22 N -5.37 0.00 -0.21 1.57 3.01 0.20 -4.50 117.46 112.16 1gqo n PHE 22 Ca -0.08 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.41 1gqo n PHE 22 Cb 0.28 -0.27 -0.01 0.00 -0.01 0.00 0.00 39.48 39.47 1gqo n PHE 22 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gqo n GLY 23 N 1.48 -1.78 0.12 1.37 0.00 0.31 -4.82 105.19 101.87 1gqo n GLY 23 Ca 0.06 -1.46 0.02 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.27 -0.10 -2.51 1.61 1.74 -1.26 -3.92 116.66 109.95 1gqo n ARG 24 Ca -0.00 -0.65 -0.41 0.00 -0.77 0.00 0.00 57.85 56.01 1gqo n ARG 24 Cb 0.10 -1.04 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 1gqo n ARG 24 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1gqo s GLN 25 N -0.34 4.55 1.15 5.56 -1.52 -1.26 -4.79 119.66 123.00 1gqo s GLN 25 Ca 0.04 1.71 -0.16 0.00 -1.95 0.00 0.00 55.36 54.99 1gqo s GLN 25 Cb 0.03 -3.31 0.26 0.00 -0.22 0.00 0.00 33.01 29.77 1gqo s GLN 25 CO 0.05 -0.02 1.07 0.95 -0.25 0.00 0.00 175.29 177.09 1gqo s THR 26 N 0.17 1.77 0.31 -0.19 -4.23 -1.26 -4.30 115.64 107.91 1gqo s THR 26 Ca 0.52 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.12 1gqo s THR 26 Cb -0.29 -2.39 0.04 0.00 1.34 0.00 0.00 72.50 71.20 1gqo s THR 26 CO 0.33 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.37 1gqo h LEU 27 N -2.43 0.14 0.06 4.79 5.85 -1.82 -1.85 115.31 120.05 1gqo h LEU 27 Ca -0.51 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1gqo h LEU 27 Cb 1.32 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1gqo h LEU 27 CO 0.45 0.57 -0.07 0.74 -0.34 0.00 0.00 178.44 179.79 1gqo h THR 28 N 0.11 0.84 -0.43 1.05 2.02 -1.93 0.63 112.91 115.20 1gqo h THR 28 Ca 0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1gqo h THR 28 Cb 0.83 0.84 -0.09 0.00 -1.74 0.00 0.00 68.15 67.99 1gqo h THR 28 CO 0.06 0.00 -0.28 0.44 0.37 0.00 0.00 175.52 176.11 1gqo h ASP 29 N -0.15 -0.94 -0.72 4.18 5.19 -1.71 -0.68 116.42 121.60 1gqo h ASP 29 Ca 0.01 0.18 0.03 0.00 -0.62 0.00 0.00 57.03 56.63 1gqo h ASP 29 Cb 0.15 0.47 -0.04 0.00 0.18 0.00 0.00 39.33 40.08 1gqo h ASP 29 CO -0.02 -0.29 0.45 0.40 -3.12 0.00 0.00 179.24 176.66 1gqo h ILE 30 N -0.19 1.10 -0.29 0.35 2.04 -0.60 -2.09 117.51 117.82 1gqo h ILE 30 Ca 0.20 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1gqo h ILE 30 Cb 0.51 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1gqo h ILE 30 CO -0.55 0.16 0.06 -0.08 0.00 0.00 0.00 178.15 177.74 1gqo h GLU 31 N 0.88 0.16 -0.62 2.37 4.81 0.38 -0.07 114.58 122.49 1gqo h GLU 31 Ca 0.29 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 1gqo h GLU 31 Cb 0.01 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 1gqo h GLU 31 CO -0.11 0.11 0.35 1.15 -0.73 0.00 0.00 179.01 179.78 1gqo h THR 32 N 0.17 0.99 -0.21 0.32 2.02 -0.85 -1.61 112.91 113.75 1gqo h THR 32 Ca 0.14 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 1gqo h THR 32 Cb 0.14 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1gqo h THR 32 CO -0.18 0.12 -0.29 0.44 0.37 0.00 0.00 175.52 175.99 1gqo h ASP 33 N 0.66 0.40 0.13 4.18 3.32 -1.07 -3.10 116.42 120.95 1gqo h ASP 33 Ca 0.27 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1gqo h ASP 33 Cb 0.13 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1gqo h ASP 33 CO -0.16 0.68 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.56 1gqo h LEU 34 N 0.35 0.38 -0.53 1.55 3.38 -0.05 -3.26 115.31 117.14 1gqo h LEU 34 Ca 0.05 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 1gqo h LEU 34 Cb 0.69 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1gqo h LEU 34 CO 0.05 0.76 -0.30 -0.26 0.09 0.00 0.00 178.44 178.78 1gqo h PHE 35 N 0.30 1.02 -0.89 1.13 0.05 -1.36 -2.89 116.94 114.31 1gqo h PHE 35 Ca 0.03 -0.27 0.05 0.00 3.82 0.00 0.00 57.97 61.60 1gqo h PHE 35 Cb 0.86 -0.23 -0.06 0.00 2.00 0.00 0.00 35.95 38.52 1gqo h PHE 35 CO 0.02 1.06 0.56 1.96 -0.18 0.00 0.00 178.31 181.74 1gqo h GLN 36 N 0.74 1.02 0.23 1.51 4.20 -1.62 -2.45 115.11 118.75 1gqo h GLN 36 Ca 0.08 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1gqo h GLN 36 Cb 0.86 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1gqo h GLN 36 CO 0.08 0.68 -0.32 0.35 -0.67 0.00 0.00 178.83 178.94 1gqo h PHE 37 N 1.06 -0.87 0.00 2.96 -0.00 -1.58 -2.62 116.94 115.90 1gqo h PHE 37 Ca 0.37 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.36 1gqo h PHE 37 Cb 0.10 0.35 0.00 0.00 -0.00 0.00 0.00 35.95 36.40 1gqo h PHE 37 CO -0.02 -0.44 0.00 0.00 -0.00 0.00 0.00 178.31 177.85 1gqo n ALA 38 N -2.65 1.15 0.28 2.41 0.00 -1.03 -2.52 120.51 118.15 1gqo n ALA 38 Ca -0.08 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1gqo n ALA 38 Cb 0.33 -1.19 0.49 0.00 0.00 0.00 0.00 19.45 19.09 1gqo n ALA 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gqo n GLU 39 N -1.87 0.15 -3.87 0.00 4.71 -0.95 -2.66 120.64 116.14 1gqo n GLU 39 Ca -0.00 0.51 -0.20 0.00 -0.01 0.00 0.00 57.16 57.46 1gqo n GLU 39 Cb 0.05 -1.87 -0.06 0.00 -1.01 0.00 0.00 31.44 28.56 1gqo n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1gqo n ALA 40 N -1.75 0.44 0.00 0.62 0.00 -1.05 -4.64 120.51 114.14 1gqo n ALA 40 Ca 0.01 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.83 1gqo n ALA 40 Cb 0.13 1.07 0.00 0.00 0.00 0.00 0.00 19.45 20.65 1gqo n ALA 40 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1gqo n LEU 41 N 0.00 0.00 -3.79 0.00 -0.00 -1.26 -3.82 117.00 108.12 1gqo n LEU 41 Ca -0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.69 1gqo n LEU 41 Cb 0.47 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.94 1gqo n LEU 41 CO 0.25 0.00 0.11 1.41 -0.00 0.00 0.00 177.39 179.16 1gqo n HIS 42 N -2.00 -2.37 -4.11 1.47 8.25 -1.26 -4.95 115.22 110.25 1gqo n HIS 42 Ca 0.00 0.92 -0.29 0.00 -0.26 0.00 0.00 57.72 58.10 1gqo n HIS 42 Cb 0.00 -4.33 -0.07 0.00 1.12 0.00 0.00 29.99 26.71 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 -3.37 4.20 0.09 1.59 -4.36 -1.09 -4.69 121.20 113.57 1gqo s ILE 43 Ca 0.52 -1.03 0.05 0.00 -0.26 0.00 0.00 60.65 59.93 1gqo s ILE 43 Cb -0.25 -3.06 -0.04 0.00 1.25 0.00 0.00 42.46 40.36 1gqo s ILE 43 CO 0.80 0.03 -0.01 -1.10 0.24 0.00 0.00 174.94 174.90 1gqo s GLN 44 N -2.62 2.52 0.00 0.37 -0.21 -0.83 -4.43 119.66 114.47 1gqo s GLN 44 Ca 0.28 -0.84 0.06 0.00 0.02 0.00 0.00 55.36 54.88 1gqo s GLN 44 Cb -0.11 -2.53 -0.02 0.00 1.00 0.00 0.00 33.01 31.36 1gqo s GLN 44 CO 0.20 0.54 -0.18 -0.51 -2.12 0.00 0.00 175.29 173.22 1gqo s LEU 45 N -2.26 2.08 -0.10 2.90 1.43 -1.26 -1.26 118.68 120.20 1gqo s LEU 45 Ca 0.25 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1gqo s LEU 45 Cb -0.12 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.20 1gqo s LEU 45 CO 0.17 0.20 -0.14 -0.89 0.23 0.00 0.00 176.35 175.92 1gqo s THR 46 N -0.55 1.40 -0.07 5.49 2.01 -0.22 -4.96 115.64 118.74 1gqo s THR 46 Ca 0.07 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 1gqo s THR 46 Cb -0.07 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1gqo s THR 46 CO 0.00 0.42 0.16 -0.36 -0.69 0.00 0.00 174.62 174.15 1gqo s PHE 47 N 1.02 3.58 -0.20 4.92 0.40 -1.26 -0.22 117.98 126.21 1gqo s PHE 47 Ca -0.06 0.47 -0.11 0.00 -0.60 0.00 0.00 56.93 56.62 1gqo s PHE 47 Cb -0.15 -1.90 0.07 0.00 0.51 0.00 0.00 43.02 41.55 1gqo s PHE 47 CO -0.02 0.70 0.50 0.12 0.70 0.00 0.00 175.22 177.22 1gqo s PHE 48 N -1.15 -0.75 -0.03 0.36 5.36 -0.83 -4.95 117.98 116.00 1gqo s PHE 48 Ca 0.20 1.55 0.04 0.00 -0.96 0.00 0.00 56.93 57.77 1gqo s PHE 48 Cb -0.12 0.38 -0.01 0.00 -0.34 0.00 0.00 43.02 42.93 1gqo s PHE 48 CO 0.10 -0.40 -0.15 -1.14 -1.46 0.00 0.00 175.22 172.17 1gqo s GLN 49 N 1.51 1.38 -0.01 10.12 -0.44 -1.26 -0.64 119.66 130.32 1gqo s GLN 49 Ca -0.10 -0.52 -0.21 0.00 -2.50 0.00 0.00 55.36 52.04 1gqo s GLN 49 Cb -0.07 -1.27 0.04 0.00 -1.64 0.00 0.00 33.01 30.07 1gqo s GLN 49 CO -0.15 0.26 0.45 0.45 0.50 0.00 0.00 175.29 176.80 1gqo s SER 50 N -0.11 -0.36 0.00 6.67 0.15 -0.66 -4.98 113.70 114.41 1gqo s SER 50 Ca 0.01 0.25 0.24 0.00 0.70 0.00 0.00 55.95 57.15 1gqo s SER 50 Cb -0.08 0.41 0.33 0.00 -1.71 0.00 0.00 66.02 64.97 1gqo s SER 50 CO 0.01 -0.56 1.34 0.59 1.20 0.00 0.00 173.24 175.81 1gqo n ASN 51 N 0.93 2.97 -4.63 5.45 3.02 -1.26 -2.35 115.26 119.38 1gqo n ASN 51 Ca -0.20 -1.95 -0.36 0.00 -0.03 0.00 0.00 54.58 52.03 1gqo n ASN 51 Cb 0.57 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.58 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 -1.87 3.28 0.22 3.10 3.76 -1.26 -4.67 115.29 117.85 1gqo s HIS 52 Ca 0.32 0.13 -0.08 0.00 -0.15 0.00 0.00 55.06 55.28 1gqo s HIS 52 Cb 0.21 -2.24 0.32 0.00 1.11 0.00 0.00 32.58 31.98 1gqo s HIS 52 CO 0.31 0.03 1.73 1.49 -0.85 0.00 0.00 174.74 177.45 1gqo h GLU 53 N 7.51 0.38 -0.46 1.40 4.81 -2.01 -2.11 114.58 124.09 1gqo h GLU 53 Ca -0.38 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.81 1gqo h GLU 53 Cb 1.17 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1gqo h GLU 53 CO 0.65 0.25 0.20 0.78 -0.73 0.00 0.00 179.01 180.16 1gqo h GLY 54 N 0.39 0.70 0.93 1.92 0.00 -1.99 -2.13 103.07 102.90 1gqo h GLY 54 Ca 0.33 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1gqo h GLY 54 CO -0.35 0.31 0.11 -0.55 0.00 0.00 0.00 176.54 176.07 1gqo h ASP 55 N 0.65 0.59 -0.84 0.19 3.32 -1.80 -0.25 116.42 118.29 1gqo h ASP 55 Ca 0.16 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1gqo h ASP 55 Cb 0.11 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1gqo h ASP 55 CO -0.02 0.65 0.51 -0.07 -1.72 0.00 0.00 179.24 178.59 1gqo h LEU 56 N 0.50 1.01 -0.28 1.55 3.38 -1.33 -0.50 115.31 119.64 1gqo h LEU 56 Ca 0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1gqo h LEU 56 Cb 0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1gqo h LEU 56 CO -0.00 0.77 0.06 0.40 0.09 0.00 0.00 178.44 179.76 1gqo h ILE 57 N 1.16 1.22 -0.68 1.22 2.04 -1.23 -0.40 117.51 120.84 1gqo h ILE 57 Ca 0.30 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.45 1gqo h ILE 57 Cb -0.05 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1gqo h ILE 57 CO -0.06 0.25 0.41 0.44 0.00 0.00 0.00 178.15 179.19 1gqo h ASP 58 N 0.29 0.66 -0.27 1.72 3.32 -0.27 -1.79 116.42 120.08 1gqo h ASP 58 Ca 0.09 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1gqo h ASP 58 Cb 0.31 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1gqo h ASP 58 CO 0.00 0.45 -0.04 0.00 -1.72 0.00 0.00 179.24 177.93 1gqo h ALA 59 N 1.31 1.21 -0.13 3.45 0.00 -0.94 -2.16 119.26 122.00 1gqo h ALA 59 Ca 0.28 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1gqo h ALA 59 Cb 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gqo h ALA 59 CO -0.13 0.51 -0.04 0.82 0.00 0.00 0.00 179.25 180.41 1gqo h ILE 60 N 0.59 1.30 -1.01 0.00 2.04 -0.62 -0.82 117.51 118.99 1gqo h ILE 60 Ca 0.12 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 64.99 1gqo h ILE 60 Cb 0.44 1.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 1gqo h ILE 60 CO 0.02 0.29 0.66 0.45 0.00 0.00 0.00 178.15 179.58 1gqo h HIS 61 N -0.06 1.25 0.00 1.37 3.86 -1.27 -2.58 115.15 117.72 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 0.48 -0.42 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1gqo h HIS 61 CO 0.06 0.74 -0.03 0.93 0.86 0.00 0.00 177.93 180.49 1gqo h GLU 62 N 1.31 0.00 -0.50 2.45 5.08 -1.24 -3.32 114.58 118.36 1gqo h GLU 62 Ca 0.39 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 1gqo h GLU 62 Cb -0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1gqo h GLU 62 CO -0.11 0.00 0.24 0.00 -1.00 0.00 0.00 179.01 178.14 1gqo h ALA 63 N 2.49 1.49 -0.99 3.43 0.00 -0.72 -3.20 119.26 121.76 1gqo h ALA 63 Ca 0.00 -0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.06 1gqo h ALA 63 Cb 0.75 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1gqo h ALA 63 CO 0.00 0.41 0.66 1.49 0.00 0.00 0.00 179.25 181.81 1gqo h GLU 64 N 0.70 0.29 -0.31 0.00 4.57 -1.70 0.13 114.58 118.27 1gqo h GLU 64 Ca 0.18 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1gqo h GLU 64 Cb 0.07 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1gqo h GLU 64 CO -0.02 0.19 0.00 0.39 -1.18 0.00 0.00 179.01 178.39 1gqo n GLU 65 N -4.48 2.27 0.00 1.92 1.02 -1.21 -4.56 120.64 115.61 1gqo n GLU 65 Ca 0.22 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 55.44 1gqo n GLU 65 Cb 0.87 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 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 1.14 2.93 -4.57 3.49 7.27 0.27 -5.12 117.38 122.80 1gqo n GLN 66 Ca 0.18 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.99 1gqo n GLN 66 Cb 0.53 -0.59 -0.11 0.00 2.41 0.00 0.00 30.24 32.47 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 -0.75 2.37 -0.95 3.69 1.51 -0.13 -4.86 117.35 118.23 1gqo s TYR 67 Ca 0.00 -0.75 0.08 0.00 -1.01 0.00 0.00 57.07 55.40 1gqo s TYR 67 Cb 0.00 -1.64 0.13 0.00 -0.11 0.00 0.00 41.96 40.34 1gqo s TYR 67 CO 0.00 0.33 0.92 -1.13 -1.11 0.00 0.00 175.55 174.56 1gqo n SER 68 N -0.89 2.07 -3.64 2.29 3.41 0.00 -4.73 113.62 112.13 1gqo n SER 68 Ca -0.04 -1.58 -0.03 0.00 -0.26 0.00 0.00 58.87 56.96 1gqo n SER 68 Cb 0.67 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 1gqo n SER 68 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1gqo s GLY 69 N -0.82 -0.15 -0.02 5.00 0.00 -1.26 -4.45 107.32 105.63 1gqo s GLY 69 Ca 0.13 2.07 0.04 0.00 0.00 0.00 0.00 44.72 46.96 1gqo s GLY 69 CO 0.11 0.73 -0.14 -0.42 0.00 0.00 0.00 173.10 173.38 1gqo s ILE 70 N -1.87 1.13 -0.30 0.90 1.01 -0.72 -1.97 121.20 119.38 1gqo s ILE 70 Ca 0.11 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 1gqo s ILE 70 Cb -0.01 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.52 1gqo s ILE 70 CO -0.04 0.33 0.08 -0.69 0.00 0.00 0.00 174.94 174.62 1gqo s VAL 71 N -0.19 3.90 -0.19 2.92 1.01 -0.55 -1.98 120.40 125.32 1gqo s VAL 71 Ca 0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1gqo s VAL 71 Cb -0.07 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1gqo s VAL 71 CO 0.00 0.03 -0.12 -0.22 0.00 0.00 0.00 175.10 174.79 1gqo s LEU 72 N 1.47 2.56 -0.46 3.92 2.96 0.13 -0.74 118.68 128.52 1gqo s LEU 72 Ca 0.02 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1gqo s LEU 72 Cb -0.18 -1.62 0.12 0.00 0.50 0.00 0.00 46.19 45.02 1gqo s LEU 72 CO 0.02 0.01 0.20 0.21 -1.32 0.00 0.00 176.35 175.47 1gqo s ASN 73 N 1.29 4.40 0.00 3.68 3.84 0.16 -1.03 114.94 127.27 1gqo s ASN 73 Ca 0.04 -2.74 0.13 0.00 0.21 0.00 0.00 52.86 50.50 1gqo s ASN 73 Cb -0.14 -1.59 0.80 0.00 -0.55 0.00 0.00 41.25 39.77 1gqo s ASN 73 CO -0.06 -0.28 1.49 -0.81 -2.79 0.00 0.00 177.10 174.66 1gqo n PRO 74 N 3.47 0.97 0.00 0.43 -0.04 -1.26 -0.28 135.00 138.29 1gqo n PRO 74 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1gqo n PRO 74 Cb 0.35 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.68 0.94 0.12 0.55 0.00 -1.26 -2.85 105.19 103.37 1gqo n GLY 75 Ca 0.10 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 3.19 1.17 0.29 4.61 0.00 -1.26 -1.84 120.51 126.67 1gqo n ALA 76 Ca 0.00 0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.71 1gqo n ALA 76 Cb 0.00 -1.27 0.66 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.18 0.00 3.38 -1.90 -1.68 115.31 113.93 1gqo h LEU 77 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1gqo h LEU 77 Cb 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 1gqo h LEU 77 CO 0.00 0.00 0.59 -1.28 0.09 0.00 0.00 178.44 177.84 1gqo h SER 78 N 0.00 0.78 0.28 -0.43 0.87 -1.53 -0.63 113.55 112.90 1gqo h SER 78 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1gqo h SER 78 Cb 0.21 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1gqo h SER 78 CO 0.00 0.42 -0.06 1.41 -0.53 0.00 0.00 176.83 178.07 1gqo n HIS 79 N -4.57 0.00 -1.03 2.24 8.25 -0.63 -0.61 115.22 118.88 1gqo n HIS 79 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1gqo n HIS 79 Cb 0.38 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.35 1gqo n HIS 79 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1gqo n TYR 80 N -0.91 0.00 -2.85 4.41 0.18 -1.03 -4.69 117.16 112.27 1gqo n TYR 80 Ca 0.17 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.52 1gqo n TYR 80 Cb 0.24 0.01 -0.02 0.00 -0.38 0.00 0.00 39.34 39.19 1gqo n TYR 80 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1gqo s SER 81 N 0.00 6.68 0.37 9.48 0.15 -0.27 -4.75 113.70 125.36 1gqo s SER 81 Ca 0.00 -2.10 0.27 0.00 0.70 0.00 0.00 55.95 54.82 1gqo s SER 81 Cb 0.00 -2.44 1.21 0.00 -1.71 0.00 0.00 66.02 63.09 1gqo s SER 81 CO 0.00 -1.10 1.81 1.88 1.20 0.00 0.00 173.24 177.03 1gqo h TYR 82 N 8.70 0.00 -0.32 3.44 -1.99 -1.91 -2.22 116.97 122.67 1gqo h TYR 82 Ca 0.20 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.77 1gqo h TYR 82 Cb 0.99 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.72 1gqo h TYR 82 CO 1.19 0.00 -0.43 0.00 -0.00 0.00 0.00 178.16 178.92 1gqo h ALA 83 N 2.14 0.62 -0.03 3.88 0.00 -1.98 -1.44 119.26 122.44 1gqo h ALA 83 Ca 0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 54.20 1gqo h ALA 83 Cb 0.30 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1gqo h ALA 83 CO 0.00 0.67 -0.93 0.82 0.00 0.00 0.00 179.25 179.81 1gqo h ILE 84 N 0.66 1.33 -0.17 0.00 2.04 -1.84 -2.31 117.51 117.22 1gqo h ILE 84 Ca 0.04 -2.26 0.04 0.00 1.00 0.00 0.00 64.86 63.69 1gqo h ILE 84 Cb 1.01 2.30 -0.07 0.00 -0.74 0.00 0.00 36.82 39.32 1gqo h ILE 84 CO 0.10 0.69 -0.45 -0.09 0.00 0.00 0.00 178.15 178.40 1gqo h ARG 85 N 0.35 -0.47 -0.72 2.37 2.43 -1.32 -1.28 114.38 115.74 1gqo h ARG 85 Ca -0.09 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1gqo h ARG 85 Cb 1.57 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 31.18 1gqo h ARG 85 CO 0.17 -0.32 0.47 -0.44 -1.51 0.00 0.00 179.97 178.35 1gqo h ASP 86 N -0.49 0.67 -0.13 -3.80 5.19 -1.22 -1.95 116.42 114.69 1gqo h ASP 86 Ca 0.07 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1gqo h ASP 86 Cb 0.64 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 1gqo h ASP 86 CO -0.43 0.44 0.04 0.00 -3.12 0.00 0.00 179.24 176.17 1gqo h ALA 87 N 1.61 0.14 -0.80 3.45 0.00 -0.73 -1.77 119.26 121.16 1gqo h ALA 87 Ca 0.31 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1gqo h ALA 87 Cb 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1gqo h ALA 87 CO -0.10 -0.41 0.42 0.28 0.00 0.00 0.00 179.25 179.45 1gqo h VAL 88 N 0.10 1.24 -0.01 0.00 2.07 -0.52 -2.27 116.25 116.86 1gqo h VAL 88 Ca 0.06 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1gqo h VAL 88 Cb 0.04 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1gqo h VAL 88 CO -0.06 0.28 -0.25 0.28 0.02 0.00 0.00 177.57 177.83 1gqo h SER 89 N 1.12 0.02 0.14 0.57 0.02 -1.24 -3.04 113.55 111.14 1gqo h SER 89 Ca 0.28 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1gqo h SER 89 Cb 0.06 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1gqo h SER 89 CO -0.04 0.28 -0.01 -1.54 -1.14 0.00 0.00 176.83 174.38 1gqo n SER 90 N -4.23 0.12 -4.69 3.07 3.41 -0.68 -4.85 113.62 105.76 1gqo n SER 90 Ca -0.02 -0.82 -0.23 0.00 -0.26 0.00 0.00 58.87 57.53 1gqo n SER 90 Cb 0.31 -0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.15 3.10 -0.87 -1.33 -4.36 -1.15 -5.04 121.20 109.40 1gqo s ILE 91 Ca 0.42 -1.80 0.23 0.00 -0.26 0.00 0.00 60.65 59.25 1gqo s ILE 91 Cb 0.21 -2.92 -0.10 0.00 1.25 0.00 0.00 42.46 40.90 1gqo s ILE 91 CO 0.39 -0.24 1.13 -1.54 0.24 0.00 0.00 174.94 174.92 1gqo n SER 92 N -1.05 0.68 -4.79 4.36 3.41 -1.26 -4.95 113.62 110.02 1gqo n SER 92 Ca -0.04 -0.46 -0.34 0.00 -0.26 0.00 0.00 58.87 57.76 1gqo n SER 92 Cb 0.61 0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 65.18 1gqo n SER 92 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gqo s LEU 93 N -3.30 3.88 0.15 1.04 1.43 -1.26 -5.02 118.68 115.60 1gqo s LEU 93 Ca 0.08 1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 54.84 1gqo s LEU 93 Cb 0.16 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.79 1gqo s LEU 93 CO 0.78 -0.78 1.26 -2.16 0.23 0.00 0.00 176.35 175.69 1gqo s PRO 94 N -3.14 4.42 -0.05 1.29 0.04 -1.26 -4.91 135.00 131.39 1gqo s PRO 94 Ca 0.66 1.93 0.04 0.00 0.04 0.00 0.00 61.00 63.68 1gqo s PRO 94 Cb -0.18 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.11 1gqo s PRO 94 CO 0.21 -0.23 -0.19 0.08 0.04 0.00 0.00 177.00 176.92 1gqo s VAL 95 N 0.43 1.57 -0.15 -0.36 1.01 -1.26 -1.75 120.40 119.89 1gqo s VAL 95 Ca 0.57 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1gqo s VAL 95 Cb -0.34 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 1gqo s VAL 95 CO 0.34 0.45 -0.16 -0.69 0.00 0.00 0.00 175.10 175.04 1gqo s VAL 96 N 0.05 2.60 -0.00 2.92 1.01 -0.84 -0.72 120.40 125.43 1gqo s VAL 96 Ca -0.05 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 1gqo s VAL 96 Cb -0.13 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1gqo s VAL 96 CO 0.03 0.52 0.60 -0.70 0.00 0.00 0.00 175.10 175.56 1gqo s GLU 97 N 0.72 4.33 -0.03 2.72 2.12 -0.83 -0.69 118.70 127.04 1gqo s GLU 97 Ca -0.07 0.75 0.03 0.00 0.36 0.00 0.00 54.97 56.04 1gqo s GLU 97 Cb -0.16 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.89 1gqo s GLU 97 CO 0.01 0.36 -0.10 0.08 -0.54 0.00 0.00 175.26 175.07 1gqo s VAL 98 N -0.17 0.88 -0.01 3.70 1.01 -0.20 -0.68 120.40 124.92 1gqo s VAL 98 Ca 0.31 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1gqo s VAL 98 Cb -0.18 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 1gqo s VAL 98 CO 0.17 0.27 -0.07 -1.00 0.00 0.00 0.00 175.10 174.48 1gqo s HIS 99 N 0.20 0.69 -0.07 5.22 3.76 0.23 -4.29 115.29 121.03 1gqo s HIS 99 Ca -0.04 -0.14 -0.19 0.00 -0.15 0.00 0.00 55.06 54.54 1gqo s HIS 99 Cb -0.09 -0.48 -0.14 0.00 1.11 0.00 0.00 32.58 32.97 1gqo s HIS 99 CO 0.01 -0.05 0.73 -0.07 -0.85 0.00 0.00 174.74 174.51 1gqo h LEU 100 N 6.20 -0.16-10.44 0.89 4.07 -1.86 -1.06 115.31 112.95 1gqo h LEU 100 Ca -0.31 -0.36 -0.48 0.00 0.08 0.00 0.00 57.88 56.81 1gqo h LEU 100 Cb 1.18 0.04 0.12 0.00 1.08 0.00 0.00 40.66 43.08 1gqo h LEU 100 CO 0.49 0.43 0.32 -0.94 -1.08 0.00 0.00 178.44 177.67 1gqo s SER 101 N -5.53 4.13 -0.74 -0.43 1.04 -1.26 -1.80 113.70 109.11 1gqo s SER 101 Ca -0.11 1.19 -0.23 0.00 0.48 0.00 0.00 55.95 57.28 1gqo s SER 101 Cb -0.00 -1.87 0.07 0.00 0.10 0.00 0.00 66.02 64.32 1gqo s SER 101 CO 0.42 -2.18 1.08 0.21 0.98 0.00 0.00 173.24 173.74 1gqo s ASN 102 N -3.93 6.26 0.29 7.02 3.84 -1.26 -1.45 114.94 125.70 1gqo s ASN 102 Ca 0.62 -1.10 -0.03 0.00 0.21 0.00 0.00 52.86 52.56 1gqo s ASN 102 Cb -0.15 -2.45 0.40 0.00 -0.55 0.00 0.00 41.25 38.50 1gqo s ASN 102 CO 0.54 -1.46 1.95 -0.07 -2.79 0.00 0.00 177.10 175.27 1gqo h LEU 103 N 11.59 0.99 -2.73 3.21 3.38 -1.91 -2.49 115.31 127.36 1gqo h LEU 103 Ca -0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1gqo h LEU 103 Cb 1.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1gqo h LEU 103 CO 1.21 0.73 -0.00 1.88 0.09 0.00 0.00 178.44 182.34 1gqo h TYR 104 N 1.16 0.00 -0.02 1.13 0.99 -1.89 0.90 116.97 119.24 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 -0.11 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.62 1gqo h TYR 104 CO 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 178.16 177.99 1gqo n ALA 105 N -2.11 2.91 -2.70 3.88 0.00 -0.94 -4.93 120.51 116.62 1gqo n ALA 105 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1gqo n ALA 105 Cb 0.11 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 0.30 2.80 -1.49 0.00 1.74 0.31 -5.06 116.66 115.25 1gqo n ARG 106 Ca 0.14 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.77 1gqo n ARG 106 Cb 0.46 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.88 1gqo n ARG 106 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gqo n GLU 107 N -0.18 0.73 -0.31 5.56 4.71 -1.26 -4.87 120.64 125.02 1gqo n GLU 107 Ca 0.00 0.26 0.03 0.00 -0.01 0.00 0.00 57.16 57.43 1gqo n GLU 107 Cb 0.00 -1.50 0.17 0.00 -1.01 0.00 0.00 31.44 29.10 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 1.33 0.86 -0.37 3.49 4.81 -1.95 -0.28 114.58 122.48 1gqo h GLU 108 Ca -0.37 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 58.92 1gqo h GLU 108 Cb 1.39 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1gqo h GLU 108 CO 0.57 0.57 0.32 0.27 -0.73 0.00 0.00 179.01 180.01 1gqo h PHE 109 N 0.88 0.00 0.00 0.92 -5.15 -1.97 -0.87 116.94 110.75 1gqo h PHE 109 Ca 0.40 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.17 1gqo h PHE 109 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.48 1gqo h PHE 109 CO -0.04 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 176.81 1gqo n ARG 110 N -4.05 0.35 0.00 6.09 1.74 -0.12 -4.01 116.66 116.67 1gqo n ARG 110 Ca 0.06 0.03 0.14 0.00 -0.77 0.00 0.00 57.85 57.31 1gqo n ARG 110 Cb 0.50 -1.50 0.75 0.00 -1.02 0.00 0.00 32.46 31.19 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 -1.31 0.00 -4.49 -1.55 8.25 -0.33 -4.72 115.22 111.08 1gqo n HIS 111 Ca 0.12 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.38 1gqo n HIS 111 Cb 0.23 -0.21 -0.14 0.00 1.12 0.00 0.00 29.99 30.99 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 -2.42 0.99 -0.16 -0.41 0.00 -1.26 -5.01 119.66 111.39 1gqo s GLN 112 Ca 0.31 -0.56 -0.03 0.00 -0.00 0.00 0.00 55.36 55.08 1gqo s GLN 112 Cb 0.19 -0.97 -0.03 0.00 0.00 0.00 0.00 33.01 32.21 1gqo s GLN 112 CO 0.41 0.26 -0.05 0.45 0.00 0.00 0.00 175.29 176.36 1gqo s SER 113 N -0.60 4.69 0.00 12.60 0.15 -1.26 -4.17 113.70 125.11 1gqo s SER 113 Ca 0.04 -0.16 0.27 0.00 0.70 0.00 0.00 55.95 56.79 1gqo s SER 113 Cb -0.06 -1.76 0.78 0.00 -1.71 0.00 0.00 66.02 63.27 1gqo s SER 113 CO 0.00 0.16 1.58 1.33 1.20 0.00 0.00 173.24 177.51 1gqo n VAL 114 N 3.60 0.00 -0.03 4.45 0.24 0.22 -3.92 118.33 122.89 1gqo n VAL 114 Ca -0.17 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.34 61.88 1gqo n VAL 114 Cb 0.52 0.32 -0.14 0.00 -1.47 0.00 0.00 33.84 33.08 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 -0.78 1.63 0.10 1.34 5.41 -1.26 -4.54 119.36 121.27 1gqo n ILE 115 Ca 0.12 -0.74 0.05 0.00 1.00 0.00 0.00 62.75 63.18 1gqo n ILE 115 Cb 0.34 -1.24 0.48 0.00 -0.71 0.00 0.00 39.64 38.51 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 0.60 1.75 -0.02 -1.39 0.00 -1.92 -2.01 119.26 116.26 1gqo h ALA 116 Ca -0.39 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1gqo h ALA 116 Cb 2.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1gqo h ALA 116 CO 0.06 0.21 0.03 -1.35 0.00 0.00 0.00 179.25 178.20 1gqo h PRO 117 N 0.32 0.00 -0.01 0.00 0.11 -1.80 -2.42 132.00 128.20 1gqo h PRO 117 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1gqo h PRO 117 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1gqo h PRO 117 CO -0.01 0.00 -0.15 1.33 -0.21 0.00 0.00 178.00 178.96 1gqo n VAL 118 N -3.57 0.00 -2.40 3.15 0.24 -0.77 -5.01 118.33 109.97 1gqo n VAL 118 Ca -0.03 -0.42 -0.24 0.00 -2.04 0.00 0.00 64.34 61.61 1gqo n VAL 118 Cb 0.11 1.13 0.05 0.00 -1.47 0.00 0.00 33.84 33.66 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 -1.20 3.50 0.29 2.33 0.00 -0.91 -4.76 121.76 121.01 1gqo s ALA 119 Ca 0.08 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1gqo s ALA 119 Cb 0.08 -2.36 0.44 0.00 0.00 0.00 0.00 23.12 21.28 1gqo s ALA 119 CO 0.21 -1.04 1.75 0.87 0.00 0.00 0.00 175.76 177.55 1gqo h LYS 120 N -0.29 0.50 0.00 0.00 1.79 -1.21 -3.49 116.57 113.89 1gqo h LYS 120 Ca -0.43 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 1gqo h LYS 120 Cb 1.31 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1gqo h LYS 120 CO 0.57 0.67 0.00 0.41 -1.08 0.00 0.00 179.45 180.02 1gqo n GLY 121 N -0.49 -1.51 3.07 3.86 0.00 -1.24 -5.05 105.19 103.83 1gqo n GLY 121 Ca 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.49 0.25 -0.16 1.61 0.74 -1.26 -1.96 119.66 117.38 1gqo s GLN 122 Ca 0.00 0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.60 1gqo s GLN 122 Cb 0.00 0.12 0.01 0.00 1.10 0.00 0.00 33.01 34.24 1gqo s GLN 122 CO 0.00 -0.04 -0.19 0.42 -0.55 0.00 0.00 175.29 174.94 1gqo s ILE 123 N -0.07 2.25 -0.02 -2.34 1.01 0.14 -4.98 121.20 117.19 1gqo s ILE 123 Ca -0.02 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1gqo s ILE 123 Cb -0.02 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.51 1gqo s ILE 123 CO 0.00 0.53 -0.11 -0.69 0.00 0.00 0.00 174.94 174.67 1gqo s VAL 124 N 1.06 0.93 0.00 2.92 1.01 -1.26 -0.60 120.40 124.46 1gqo s VAL 124 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1gqo s VAL 124 Cb -0.14 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1gqo s VAL 124 CO -0.06 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1gqo n GLY 125 N 2.98 0.85 1.65 4.51 0.00 -0.40 -4.83 105.19 109.94 1gqo n GLY 125 Ca -0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 4.91 0.00 0.99 4.77 -1.18 -4.62 117.00 121.88 1gqo n LEU 126 Ca 0.00 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.48 1gqo n LEU 126 Cb 0.00 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1gqo n LEU 126 CO 0.00 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1gqo n GLY 127 N 0.47 0.32 0.29 -0.72 0.00 -0.75 -3.74 105.19 101.06 1gqo n GLY 127 Ca 0.23 -0.91 0.18 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.69 1.04 -0.24 4.61 0.00 -1.92 -2.12 119.26 119.94 1gqo h ALA 128 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1gqo h ALA 128 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1gqo h ALA 128 CO 0.00 0.04 0.16 1.49 0.00 0.00 0.00 179.25 180.94 1gqo h GLU 129 N 0.00 0.12 -0.80 0.00 4.57 -1.99 -2.28 114.58 114.20 1gqo h GLU 129 Ca -0.00 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.32 1gqo h GLU 129 Cb 0.37 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.88 1gqo h GLU 129 CO 0.00 0.08 0.53 0.78 -1.18 0.00 0.00 179.01 179.22 1gqo h GLY 130 N 0.12 0.87 1.00 1.92 0.00 -1.48 0.18 103.07 105.68 1gqo h GLY 130 Ca 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1gqo h GLY 130 CO -0.01 0.07 0.36 -0.97 0.00 0.00 0.00 176.54 175.99 1gqo h TYR 131 N 0.51 0.77 -0.52 5.60 -1.99 -1.62 -1.18 116.97 118.52 1gqo h TYR 131 Ca 0.39 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 61.01 1gqo h TYR 131 Cb 0.80 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 1gqo h TYR 131 CO -0.00 0.52 -0.14 0.87 -0.00 0.00 0.00 178.16 179.41 1gqo h LYS 132 N 0.79 1.02 -0.55 4.88 1.57 -0.86 -1.84 116.57 121.58 1gqo h LYS 132 Ca 0.21 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1gqo h LYS 132 Cb -0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1gqo h LYS 132 CO -0.04 1.08 0.22 -0.07 -0.57 0.00 0.00 179.45 180.06 1gqo h LEU 133 N 0.89 0.72 -0.33 2.94 3.38 -0.77 0.40 115.31 122.54 1gqo h LEU 133 Ca 0.13 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1gqo h LEU 133 Cb 0.71 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1gqo h LEU 133 CO 0.05 0.65 0.07 0.00 0.09 0.00 0.00 178.44 179.30 1gqo h ALA 134 N 1.45 0.44 -0.81 1.53 0.00 -0.90 -1.80 119.26 119.17 1gqo h ALA 134 Ca 0.19 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1gqo h ALA 134 Cb 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1gqo h ALA 134 CO -0.02 0.12 0.37 0.28 0.00 0.00 0.00 179.25 180.00 1gqo h VAL 135 N 0.38 1.26 -0.51 0.00 2.07 -0.46 -0.96 116.25 118.03 1gqo h VAL 135 Ca 0.10 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1gqo h VAL 135 Cb 0.33 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1gqo h VAL 135 CO 0.00 0.32 0.33 0.03 0.02 0.00 0.00 177.57 178.27 1gqo h ARG 136 N 1.17 0.65 -0.16 1.57 3.08 -0.52 -1.90 114.38 118.26 1gqo h ARG 136 Ca 0.28 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.31 1gqo h ARG 136 Cb 0.16 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1gqo h ARG 136 CO -0.03 0.43 0.01 -0.92 -1.07 0.00 0.00 179.97 178.39 1gqo h TYR 137 N 0.66 0.01 -0.79 3.04 3.20 -0.89 -1.05 116.97 121.16 1gqo h TYR 137 Ca 0.19 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.14 1gqo h TYR 137 Cb -0.05 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 1gqo h TYR 137 CO -0.05 -0.01 0.47 -0.07 -1.64 0.00 0.00 178.16 176.86 1gqo h LEU 138 N 0.07 0.72 0.12 2.82 4.07 -0.57 -2.52 115.31 120.02 1gqo h LEU 138 Ca 0.07 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 1gqo h LEU 138 Cb 0.08 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1gqo h LEU 138 CO -0.12 0.45 -0.06 -0.07 -1.08 0.00 0.00 178.44 177.57 1gqo h LEU 139 N 0.85 -0.14 -0.57 1.67 3.38 -1.06 -2.04 115.31 117.40 1gqo h LEU 139 Ca 0.35 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1gqo h LEU 139 Cb 0.20 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1gqo h LEU 139 CO -0.19 -0.05 0.02 -1.54 0.09 0.00 0.00 178.44 176.78 1gqo n SER 140 N -5.13 0.22 -0.24 -0.43 3.41 -0.43 -5.11 113.62 105.92 1gqo n SER 140 Ca -0.08 0.59 0.15 0.00 -0.26 0.00 0.00 58.87 59.27 1gqo n SER 140 Cb 0.11 -0.62 0.74 0.00 -0.26 0.00 0.00 64.21 64.18 1gqo n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88