#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 1.55 0.18 0.54 2.46 -1.25 0.88 115.29 119.64 1gqo s HIS 2 Ca 0.00 -1.05 0.10 0.00 0.47 0.00 0.00 55.06 54.58 1gqo s HIS 2 Cb 0.00 -1.24 -0.04 0.00 -0.13 0.00 0.00 32.58 31.17 1gqo s HIS 2 CO 0.00 -0.61 -0.16 -0.06 -2.47 0.00 0.00 174.74 171.44 1gqo s PHE 3 N 1.68 2.51 -0.25 3.88 2.99 0.10 -1.32 117.98 127.57 1gqo s PHE 3 Ca -0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 56.93 56.56 1gqo s PHE 3 Cb -0.16 -1.25 -0.05 0.00 0.00 0.00 0.00 43.02 41.57 1gqo s PHE 3 CO -0.07 0.49 0.15 -1.17 -0.00 0.00 0.00 175.22 174.61 1gqo s LEU 4 N -2.68 3.97 -0.57 -0.37 0.20 -0.97 -0.67 118.68 117.59 1gqo s LEU 4 Ca 0.22 0.03 -0.13 0.00 0.69 0.00 0.00 54.13 54.94 1gqo s LEU 4 Cb -0.09 -2.07 0.14 0.00 -0.43 0.00 0.00 46.19 43.74 1gqo s LEU 4 CO 0.13 0.03 0.49 -0.63 -0.29 0.00 0.00 176.35 176.08 1gqo s ILE 5 N 1.27 4.94 -0.22 6.68 -1.09 -0.14 -0.71 121.20 131.94 1gqo s ILE 5 Ca 0.07 -1.77 -0.09 0.00 -2.23 0.00 0.00 60.65 56.63 1gqo s ILE 5 Cb -0.14 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 1gqo s ILE 5 CO 0.06 -0.87 0.10 -0.22 -1.23 0.00 0.00 174.94 172.78 1gqo s LEU 6 N 1.26 3.86 -0.07 2.97 0.20 0.43 -2.25 118.68 125.08 1gqo s LEU 6 Ca 0.06 0.03 0.05 0.00 0.69 0.00 0.00 54.13 54.97 1gqo s LEU 6 Cb -0.26 -2.01 -0.01 0.00 -0.43 0.00 0.00 46.19 43.49 1gqo s LEU 6 CO -0.00 0.09 -0.23 0.20 -0.29 0.00 0.00 176.35 176.11 1gqo s ASN 7 N 0.90 2.92 0.20 3.68 0.01 0.24 -1.82 114.94 121.07 1gqo s ASN 7 Ca 0.05 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 1gqo s ASN 7 Cb -0.13 -0.98 0.00 0.00 0.41 0.00 0.00 41.25 40.54 1gqo s ASN 7 CO 0.03 0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.43 1gqo n GLY 8 N 3.17 0.41 3.75 0.66 0.00 0.20 -1.87 105.19 111.51 1gqo n GLY 8 Ca -0.18 -1.84 -0.42 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 -0.37 2.67 -0.81 1.61 -0.04 -0.93 -2.58 135.00 134.56 1gqo n PRO 9 Ca 0.00 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 1gqo n PRO 9 Cb 0.00 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 1.90 -0.91 0.19 3.54 3.02 -1.26 -4.47 115.26 117.26 1gqo n ASN 10 Ca 0.08 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.69 1gqo n ASN 10 Cb 0.37 -1.34 0.29 0.00 -0.61 0.00 0.00 39.78 38.49 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 0.78 0.00 2.41 2.07 -1.86 -0.42 116.25 119.23 1gqo h VAL 11 Ca 0.00 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1gqo h VAL 11 Cb 0.10 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1gqo h VAL 11 CO 0.00 0.36 0.00 -0.55 0.02 0.00 0.00 177.57 177.40 1gqo h ASN 12 N 0.00 0.00 -0.02 0.57 -1.07 -1.88 -2.85 115.58 110.34 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 0.98 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.23 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 -2.43 1.78 -1.52 4.14 5.12 -0.17 -4.68 116.66 118.90 1gqo n ARG 13 Ca 0.01 -1.13 -0.41 0.00 -1.93 0.00 0.00 57.85 54.39 1gqo n ARG 13 Cb 0.18 -1.48 0.01 0.00 -1.16 0.00 0.00 32.46 30.02 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 0.37 1.22 0.00 0.55 4.32 -1.07 -2.40 117.00 119.98 1gqo n LEU 14 Ca 0.18 0.94 0.00 0.00 -0.02 0.00 0.00 56.01 57.11 1gqo n LEU 14 Cb 0.40 -1.22 0.00 0.00 -1.62 0.00 0.00 43.42 40.97 1gqo n LEU 14 CO 0.16 -2.31 0.00 0.61 -1.22 0.00 0.00 177.39 174.63 1gqo n GLY 15 N 1.53 2.43 0.05 -0.72 0.00 -1.24 -4.16 105.19 103.07 1gqo n GLY 15 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1gqo n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gqo n SER 16 N 0.00 0.32 -3.85 1.61 2.88 -1.01 -4.87 113.62 108.71 1gqo n SER 16 Ca 0.00 0.55 -0.09 0.00 -1.33 0.00 0.00 58.87 58.00 1gqo n SER 16 Cb 0.00 -0.63 -0.04 0.00 -0.75 0.00 0.00 64.21 62.79 1gqo n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gqo s ARG 17 N -3.09 1.68 0.00 -1.46 1.70 -1.26 -5.07 118.95 111.45 1gqo s ARG 17 Ca 0.09 -1.23 0.00 0.00 -0.47 0.00 0.00 55.73 54.12 1gqo s ARG 17 Cb 0.13 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 35.02 1gqo s ARG 17 CO 0.44 -0.73 0.00 0.39 -1.08 0.00 0.00 175.30 174.33 1gqo n GLU 18 N -0.42 0.00 0.09 3.89 4.71 -1.26 -4.71 120.64 122.94 1gqo n GLU 18 Ca -0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.20 1gqo n GLU 18 Cb 0.61 0.00 0.37 0.00 -1.01 0.00 0.00 31.44 31.41 1gqo n GLU 18 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1gqo n PRO 19 N 0.14 0.09 0.12 3.49 -0.04 -1.26 -1.37 135.00 136.18 1gqo n PRO 19 Ca 0.00 0.49 0.05 0.00 -0.04 0.00 0.00 63.50 64.00 1gqo n PRO 19 Cb 0.00 -1.75 0.02 0.00 -0.04 0.00 0.00 33.50 31.73 1gqo n PRO 19 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1gqo h GLU 20 N 0.00 0.00 0.00 0.54 3.07 -1.87 -2.16 114.58 114.16 1gqo h GLU 20 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1gqo h GLU 20 Cb 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1gqo h GLU 20 CO 0.00 0.26 -0.64 0.28 -1.40 0.00 0.00 179.01 177.51 1gqo h VAL 21 N 0.00 0.17 0.00 3.13 2.07 -1.57 -3.44 116.25 116.62 1gqo h VAL 21 Ca -0.04 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1gqo h VAL 21 Cb 1.30 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1gqo h VAL 21 CO 0.04 0.06 -1.18 0.49 0.02 0.00 0.00 177.57 177.00 1gqo n PHE 22 N -4.59 0.39 -0.04 1.57 3.01 -0.67 -4.38 117.46 112.75 1gqo n PHE 22 Ca -0.12 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1gqo n PHE 22 Cb 0.34 -0.57 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 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 1.31 -3.89 0.08 1.37 0.00 -0.81 -4.78 105.19 98.47 1gqo n GLY 23 Ca 0.01 -2.01 -0.05 0.00 0.00 0.00 0.00 46.02 43.97 1gqo n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gqo n ARG 24 N -0.17 0.80 -2.33 1.61 5.12 -1.26 -3.98 116.66 116.45 1gqo n ARG 24 Ca 0.00 -0.05 -0.41 0.00 -1.93 0.00 0.00 57.85 55.46 1gqo n ARG 24 Cb 0.00 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.77 1gqo n ARG 24 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1gqo s GLN 25 N -2.68 4.52 0.82 5.56 -0.21 -1.26 -4.68 119.66 121.72 1gqo s GLN 25 Ca -0.09 1.96 -0.12 0.00 0.02 0.00 0.00 55.36 57.13 1gqo s GLN 25 Cb 0.07 -3.16 0.09 0.00 1.00 0.00 0.00 33.01 31.01 1gqo s GLN 25 CO 0.81 0.02 1.19 0.95 -2.12 0.00 0.00 175.29 176.13 1gqo s THR 26 N -0.92 2.00 0.18 -0.19 -4.23 -1.26 -3.68 115.64 107.54 1gqo s THR 26 Ca 0.48 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.87 1gqo s THR 26 Cb -0.35 -2.99 0.10 0.00 1.34 0.00 0.00 72.50 70.60 1gqo s THR 26 CO 0.44 0.00 1.80 0.25 -0.54 0.00 0.00 174.62 176.57 1gqo h LEU 27 N -1.11 0.80 -0.86 4.79 5.85 -1.83 -1.75 115.31 121.21 1gqo h LEU 27 Ca -0.46 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 1gqo h LEU 27 Cb 1.32 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 1gqo h LEU 27 CO 0.64 0.66 0.47 0.74 -0.34 0.00 0.00 178.44 180.62 1gqo h THR 28 N 0.87 1.25 -0.37 1.05 2.02 -1.94 -1.60 112.91 114.20 1gqo h THR 28 Ca 0.23 -0.62 0.07 0.00 0.77 0.00 0.00 66.41 66.86 1gqo h THR 28 Cb 0.04 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 66.48 1gqo h THR 28 CO -0.04 0.28 -0.04 0.44 0.37 0.00 0.00 175.52 176.53 1gqo h ASP 29 N 1.20 -0.23 -0.59 4.18 3.32 -1.75 -1.24 116.42 121.30 1gqo h ASP 29 Ca 0.30 0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.36 1gqo h ASP 29 Cb 0.02 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1gqo h ASP 29 CO -0.05 -0.08 0.02 0.40 -1.72 0.00 0.00 179.24 177.81 1gqo h ILE 30 N 0.05 1.26 -0.63 0.35 2.04 -0.78 -2.16 117.51 117.65 1gqo h ILE 30 Ca 0.18 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 1gqo h ILE 30 Cb 0.26 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1gqo h ILE 30 CO -0.34 0.40 0.17 -0.33 0.00 0.00 0.00 178.15 178.06 1gqo h GLU 31 N 0.92 0.99 -0.68 2.37 5.08 -0.91 -0.80 114.58 121.55 1gqo h GLU 31 Ca 0.17 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1gqo h GLU 31 Cb 0.53 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1gqo h GLU 31 CO 0.03 0.89 0.36 1.15 -1.00 0.00 0.00 179.01 180.44 1gqo h THR 32 N 0.92 1.22 -0.86 1.13 2.02 -0.98 -0.36 112.91 115.99 1gqo h THR 32 Ca 0.20 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1gqo h THR 32 Cb 0.33 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1gqo h THR 32 CO -0.00 0.24 0.44 0.44 0.37 0.00 0.00 175.52 177.01 1gqo h ASP 33 N 0.94 1.10 -0.45 4.18 3.32 -1.04 -2.45 116.42 122.02 1gqo h ASP 33 Ca 0.24 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 1gqo h ASP 33 Cb 0.06 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1gqo h ASP 33 CO -0.04 0.91 -0.21 -0.07 -1.72 0.00 0.00 179.24 178.11 1gqo h LEU 34 N 1.22 0.99 -0.86 1.55 3.38 -0.74 -0.85 115.31 119.99 1gqo h LEU 34 Ca 0.30 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1gqo h LEU 34 Cb 0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1gqo h LEU 34 CO -0.04 1.15 -0.09 0.15 0.09 0.00 0.00 178.44 179.70 1gqo h PHE 35 N 0.83 0.82 -0.78 1.13 3.57 -0.78 0.28 116.94 122.02 1gqo h PHE 35 Ca 0.11 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1gqo h PHE 35 Cb 0.78 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 1gqo h PHE 35 CO 0.05 0.81 0.51 1.96 -2.23 0.00 0.00 178.31 179.42 1gqo h GLN 36 N 0.69 1.02 -0.19 1.11 4.20 -1.31 -0.96 115.11 119.66 1gqo h GLN 36 Ca 0.12 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.57 1gqo h GLN 36 Cb 0.55 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1gqo h GLN 36 CO 0.03 0.67 -0.66 0.35 -0.67 0.00 0.00 178.83 178.55 1gqo h PHE 37 N 1.05 0.96 -0.37 2.96 3.57 -0.82 -2.94 116.94 121.34 1gqo h PHE 37 Ca 0.29 -0.38 -0.15 0.00 3.53 0.00 0.00 57.97 61.26 1gqo h PHE 37 Cb -0.11 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1gqo h PHE 37 CO -0.02 1.19 -0.35 0.00 -2.23 0.00 0.00 178.31 176.90 1gqo h ALA 38 N 0.71 0.67 0.00 2.41 0.00 0.14 -2.50 119.26 120.70 1gqo h ALA 38 Ca -0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1gqo h ALA 38 Cb 1.27 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1gqo h ALA 38 CO 0.14 0.67 -0.01 0.93 0.00 0.00 0.00 179.25 180.97 1gqo h GLU 39 N 0.71 0.00 0.00 0.00 3.07 -1.28 0.36 114.58 117.44 1gqo h GLU 39 Ca 0.07 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.87 1gqo h GLU 39 Cb 0.92 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 1gqo h GLU 39 CO 0.08 0.01 -0.27 0.00 -1.40 0.00 0.00 179.01 177.44 1gqo h ALA 40 N 1.99 0.89 -0.16 3.43 0.00 -1.25 -3.18 119.26 120.98 1gqo h ALA 40 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1gqo h ALA 40 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1gqo h ALA 40 CO 0.00 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.87 1gqo n LEU 41 N -3.26 2.95 -3.37 0.00 4.77 -1.18 -5.02 117.00 111.88 1gqo n LEU 41 Ca 0.02 -2.69 -0.16 0.00 -0.03 0.00 0.00 56.01 53.15 1gqo n LEU 41 Cb 0.55 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1gqo n LEU 41 CO 0.36 0.67 0.07 1.41 -1.33 0.00 0.00 177.39 178.57 1gqo n HIS 42 N -0.60 -2.43 -4.08 -1.77 8.25 -0.99 -4.96 115.22 108.65 1gqo n HIS 42 Ca 0.15 0.83 -0.13 0.00 -0.26 0.00 0.00 57.72 58.31 1gqo n HIS 42 Cb 0.63 -3.77 -0.11 0.00 1.12 0.00 0.00 29.99 27.86 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 -3.23 0.57 -0.04 1.59 -4.36 0.12 -4.17 121.20 111.67 1gqo s ILE 43 Ca 0.26 -1.20 -0.06 0.00 -0.26 0.00 0.00 60.65 59.40 1gqo s ILE 43 Cb -0.06 -0.76 -0.04 0.00 1.25 0.00 0.00 42.46 42.84 1gqo s ILE 43 CO 0.80 -0.45 0.20 -1.10 0.24 0.00 0.00 174.94 174.63 1gqo s GLN 44 N -1.88 3.49 0.03 0.37 -0.21 0.25 -3.93 119.66 117.79 1gqo s GLN 44 Ca -0.07 -0.16 0.06 0.00 0.02 0.00 0.00 55.36 55.21 1gqo s GLN 44 Cb -0.08 -3.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.78 1gqo s GLN 44 CO -0.00 0.70 -0.18 -0.51 -2.12 0.00 0.00 175.29 173.18 1gqo s LEU 45 N -1.55 2.15 -0.02 2.90 1.43 -1.26 -0.72 118.68 121.61 1gqo s LEU 45 Ca 0.23 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1gqo s LEU 45 Cb -0.13 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 1gqo s LEU 45 CO 0.13 0.12 -0.17 -0.89 0.23 0.00 0.00 176.35 175.77 1gqo s THR 46 N -0.76 2.82 0.04 5.49 2.01 0.15 -4.95 115.64 120.45 1gqo s THR 46 Ca 0.05 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.17 1gqo s THR 46 Cb -0.08 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1gqo s THR 46 CO 0.01 0.51 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.01 1gqo s PHE 47 N -0.78 2.82 -0.21 4.92 0.40 -1.26 -0.96 117.98 122.90 1gqo s PHE 47 Ca 0.12 -0.10 -0.13 0.00 -0.60 0.00 0.00 56.93 56.23 1gqo s PHE 47 Cb -0.10 -1.53 0.07 0.00 0.51 0.00 0.00 43.02 41.96 1gqo s PHE 47 CO 0.02 0.38 0.52 0.12 0.70 0.00 0.00 175.22 176.96 1gqo s PHE 48 N -1.08 -0.76 -0.01 0.36 5.36 -0.96 -4.98 117.98 115.91 1gqo s PHE 48 Ca 0.19 1.60 0.04 0.00 -0.96 0.00 0.00 56.93 57.79 1gqo s PHE 48 Cb -0.11 0.39 -0.01 0.00 -0.34 0.00 0.00 43.02 42.95 1gqo s PHE 48 CO 0.10 -0.40 -0.12 -1.14 -1.46 0.00 0.00 175.22 172.20 1gqo s GLN 49 N 1.34 1.05 -0.03 10.12 -0.44 -1.26 -0.59 119.66 129.86 1gqo s GLN 49 Ca -0.09 -0.44 -0.20 0.00 -2.50 0.00 0.00 55.36 52.13 1gqo s GLN 49 Cb -0.07 -1.01 0.04 0.00 -1.64 0.00 0.00 33.01 30.33 1gqo s GLN 49 CO -0.14 0.25 0.42 0.45 0.50 0.00 0.00 175.29 176.78 1gqo s SER 50 N -0.22 -0.34 0.00 6.67 0.15 -0.78 -5.00 113.70 114.18 1gqo s SER 50 Ca 0.03 0.28 0.29 0.00 0.70 0.00 0.00 55.95 57.26 1gqo s SER 50 Cb -0.06 0.38 1.31 0.00 -1.71 0.00 0.00 66.02 65.95 1gqo s SER 50 CO -0.00 -0.50 1.90 0.59 1.20 0.00 0.00 173.24 176.43 1gqo n ASN 51 N 1.17 0.71 -4.71 5.45 3.02 -1.26 -2.18 115.26 117.46 1gqo n ASN 51 Ca -0.21 -1.00 -0.36 0.00 -0.03 0.00 0.00 54.58 52.98 1gqo n ASN 51 Cb 0.56 -0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.64 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 -2.20 3.42 0.17 3.10 3.76 -1.26 -4.67 115.29 117.60 1gqo s HIS 52 Ca 0.36 0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 55.60 1gqo s HIS 52 Cb 0.21 -2.30 0.12 0.00 1.11 0.00 0.00 32.58 31.71 1gqo s HIS 52 CO 0.41 0.20 1.74 1.49 -0.85 0.00 0.00 174.74 177.73 1gqo h GLU 53 N 6.86 0.25 -0.50 1.40 4.81 -2.01 -1.77 114.58 123.62 1gqo h GLU 53 Ca -0.40 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.83 1gqo h GLU 53 Cb 1.16 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1gqo h GLU 53 CO 0.74 0.17 0.33 0.78 -0.73 0.00 0.00 179.01 180.30 1gqo h GLY 54 N 0.26 0.68 1.45 1.92 0.00 -1.99 -1.56 103.07 103.84 1gqo h GLY 54 Ca 0.20 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 1gqo h GLY 54 CO -0.23 0.23 -0.28 -0.55 0.00 0.00 0.00 176.54 175.71 1gqo h ASP 55 N 0.64 0.64 -0.33 0.19 3.32 -1.74 -0.52 116.42 118.61 1gqo h ASP 55 Ca 0.19 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 1gqo h ASP 55 Cb -0.00 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1gqo h ASP 55 CO -0.05 0.89 -0.21 -0.07 -1.72 0.00 0.00 179.24 178.08 1gqo h LEU 56 N 0.54 0.76 -0.55 1.55 3.38 -1.29 -1.46 115.31 118.24 1gqo h LEU 56 Ca 0.07 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1gqo h LEU 56 Cb 0.76 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1gqo h LEU 56 CO 0.06 1.03 0.32 0.40 0.09 0.00 0.00 178.44 180.34 1gqo h ILE 57 N 0.50 1.04 -0.27 1.22 2.04 -1.14 -1.14 117.51 119.75 1gqo h ILE 57 Ca 0.07 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.73 1gqo h ILE 57 Cb 0.77 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1gqo h ILE 57 CO 0.06 0.12 0.12 0.44 0.00 0.00 0.00 178.15 178.88 1gqo h ASP 58 N 0.64 0.16 -0.77 1.72 3.32 -1.02 -2.17 116.42 118.30 1gqo h ASP 58 Ca 0.23 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.33 1gqo h ASP 58 Cb 0.05 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 1gqo h ASP 58 CO -0.11 0.13 0.48 0.00 -1.72 0.00 0.00 179.24 178.02 1gqo h ALA 59 N 1.15 1.02 -0.27 3.45 0.00 -1.10 -0.64 119.26 122.87 1gqo h ALA 59 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1gqo h ALA 59 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1gqo h ALA 59 CO -0.10 0.27 0.03 0.82 0.00 0.00 0.00 179.25 180.27 1gqo h ILE 60 N 0.93 1.24 -0.74 0.00 2.04 -1.04 -1.19 117.51 118.74 1gqo h ILE 60 Ca 0.32 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1gqo h ILE 60 Cb 0.05 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1gqo h ILE 60 CO -0.12 0.27 0.33 0.45 0.00 0.00 0.00 178.15 179.08 1gqo h HIS 61 N 0.27 1.10 0.00 1.37 3.86 -0.71 -2.81 115.15 118.22 1gqo h HIS 61 Ca 0.08 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1gqo h HIS 61 Cb 0.37 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1gqo h HIS 61 CO 0.03 0.82 0.00 0.93 0.86 0.00 0.00 177.93 180.57 1gqo h GLU 62 N 1.05 0.00 -0.13 2.45 5.08 -1.02 -3.28 114.58 118.74 1gqo h GLU 62 Ca 0.25 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1gqo h GLU 62 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1gqo h GLU 62 CO -0.03 0.00 -0.25 0.00 -1.00 0.00 0.00 179.01 177.73 1gqo h ALA 63 N 2.24 1.34 -0.89 3.43 0.00 -0.94 -3.24 119.26 121.21 1gqo h ALA 63 Ca 0.00 -0.29 0.21 0.00 0.00 0.00 0.00 54.91 54.83 1gqo h ALA 63 Cb 0.67 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1gqo h ALA 63 CO 0.00 0.45 0.60 1.49 0.00 0.00 0.00 179.25 181.79 1gqo h GLU 64 N 0.21 0.32 -0.69 0.00 4.57 -1.70 0.17 114.58 117.46 1gqo h GLU 64 Ca 0.03 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1gqo h GLU 64 Cb 0.56 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1gqo h GLU 64 CO 0.04 0.21 0.00 0.39 -1.18 0.00 0.00 179.01 178.47 1gqo n GLU 65 N -4.47 2.77 0.00 1.92 1.02 -1.22 -4.55 120.64 116.11 1gqo n GLU 65 Ca 0.19 -2.53 0.00 0.00 -0.02 0.00 0.00 57.16 54.80 1gqo n GLU 65 Cb 0.73 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 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 1.45 4.48 -4.42 3.49 7.27 -0.11 -5.13 117.38 124.40 1gqo n GLN 66 Ca 0.23 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 57.10 1gqo n GLN 66 Cb 0.63 -0.42 -0.10 0.00 2.41 0.00 0.00 30.24 32.76 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 -0.10 1.91 -1.06 3.69 1.51 -0.27 -4.95 117.35 118.08 1gqo s TYR 67 Ca 0.00 -0.77 0.12 0.00 -1.01 0.00 0.00 57.07 55.41 1gqo s TYR 67 Cb 0.00 -1.12 0.34 0.00 -0.11 0.00 0.00 41.96 41.07 1gqo s TYR 67 CO 0.00 0.20 1.28 -1.13 -1.11 0.00 0.00 175.55 174.79 1gqo n SER 68 N -0.58 3.04 0.00 2.29 3.41 -0.44 -4.75 113.62 116.59 1gqo n SER 68 Ca -0.05 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 1gqo n SER 68 Cb 0.64 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.65 1.12 3.07 5.00 0.00 -1.26 -4.46 105.19 109.31 1gqo n GLY 69 Ca 0.13 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 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 0.97 -0.26 -0.61 1.01 -0.92 -2.30 121.20 117.10 1gqo s ILE 70 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 1gqo s ILE 70 Cb 0.00 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.66 1gqo s ILE 70 CO 0.00 0.28 0.00 -0.69 0.00 0.00 0.00 174.94 174.53 1gqo s VAL 71 N -0.22 3.50 -0.15 2.92 1.01 0.12 -1.56 120.40 126.01 1gqo s VAL 71 Ca 0.03 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1gqo s VAL 71 Cb -0.06 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1gqo s VAL 71 CO -0.00 0.24 -0.18 -0.22 0.00 0.00 0.00 175.10 174.93 1gqo s LEU 72 N 1.45 2.30 -0.51 3.92 2.96 -0.63 -0.43 118.68 127.75 1gqo s LEU 72 Ca 0.03 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 1gqo s LEU 72 Cb -0.16 -1.51 0.13 0.00 0.50 0.00 0.00 46.19 45.15 1gqo s LEU 72 CO -0.01 0.08 0.25 0.21 -1.32 0.00 0.00 176.35 175.56 1gqo s ASN 73 N 0.80 4.30 0.00 3.68 3.84 -0.75 -0.73 114.94 126.08 1gqo s ASN 73 Ca -0.06 -2.95 0.17 0.00 0.21 0.00 0.00 52.86 50.22 1gqo s ASN 73 Cb -0.15 -1.61 0.94 0.00 -0.55 0.00 0.00 41.25 39.88 1gqo s ASN 73 CO -0.01 -0.24 1.62 -0.81 -2.79 0.00 0.00 177.10 174.87 1gqo n PRO 74 N 3.18 1.14 0.00 0.43 -0.04 -1.26 0.63 135.00 139.07 1gqo n PRO 74 Ca 0.05 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1gqo n PRO 74 Cb 0.33 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.83 0.79 0.19 0.55 0.00 -1.26 -2.91 105.19 103.38 1gqo n GLY 75 Ca 0.13 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.58 1gqo n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqo h ALA 76 N -0.85 1.00 -0.10 4.61 0.00 -1.96 -1.84 119.26 120.12 1gqo h ALA 76 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1gqo h ALA 76 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gqo h ALA 76 CO 0.00 0.00 0.16 -0.07 0.00 0.00 0.00 179.25 179.34 1gqo h LEU 77 N 0.00 0.00 -0.95 0.00 3.38 -1.90 -1.49 115.31 114.35 1gqo h LEU 77 Ca 0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 1gqo h LEU 77 Cb 0.24 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.84 1gqo h LEU 77 CO 0.00 0.00 0.43 -1.28 0.09 0.00 0.00 178.44 177.68 1gqo h SER 78 N 0.00 0.30 0.32 -0.43 0.87 -1.47 -0.00 113.55 113.13 1gqo h SER 78 Ca 0.05 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1gqo h SER 78 Cb 0.36 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1gqo h SER 78 CO -0.00 -0.14 -0.05 1.41 -0.53 0.00 0.00 176.83 177.52 1gqo n HIS 79 N -5.12 0.00 0.00 2.24 8.25 -0.56 -0.53 115.22 119.50 1gqo n HIS 79 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1gqo n HIS 79 Cb 0.85 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1gqo n HIS 79 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1gqo n TYR 80 N -0.99 0.00 -2.22 4.41 0.18 -0.88 -4.66 117.16 113.00 1gqo n TYR 80 Ca 0.17 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.63 1gqo n TYR 80 Cb 0.23 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.15 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 -0.18 5.57 0.55 9.48 0.15 -0.07 -4.73 113.70 124.47 1gqo s SER 81 Ca 0.00 -1.50 0.31 0.00 0.70 0.00 0.00 55.95 55.46 1gqo s SER 81 Cb 0.00 -2.58 1.60 0.00 -1.71 0.00 0.00 66.02 63.33 1gqo s SER 81 CO 0.00 -2.45 2.11 1.88 1.20 0.00 0.00 173.24 175.99 1gqo h TYR 82 N 9.79 0.00 -0.26 3.44 -1.99 -1.91 -1.83 116.97 124.21 1gqo h TYR 82 Ca 0.22 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.81 1gqo h TYR 82 Cb 0.95 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.67 1gqo h TYR 82 CO 1.26 0.08 -0.42 0.00 -0.00 0.00 0.00 178.16 179.09 1gqo h ALA 83 N 1.92 0.80 -0.01 3.88 0.00 -1.98 -1.78 119.26 122.08 1gqo h ALA 83 Ca -0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 1gqo h ALA 83 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1gqo h ALA 83 CO 0.01 0.65 -0.85 0.82 0.00 0.00 0.00 179.25 179.89 1gqo h ILE 84 N 0.50 1.48 -0.35 0.00 2.04 -1.74 -3.00 117.51 116.45 1gqo h ILE 84 Ca 0.04 -2.54 0.06 0.00 1.00 0.00 0.00 64.86 63.42 1gqo h ILE 84 Cb 0.93 2.41 -0.06 0.00 -0.74 0.00 0.00 36.82 39.37 1gqo h ILE 84 CO 0.08 0.74 -0.00 -0.09 0.00 0.00 0.00 178.15 178.88 1gqo h ARG 85 N 0.12 0.09 0.00 2.37 2.43 -1.16 -1.90 114.38 116.33 1gqo h ARG 85 Ca -0.04 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1gqo h ARG 85 Cb 1.46 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1gqo h ARG 85 CO 0.13 0.06 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.05 1gqo h ASP 86 N 0.10 0.00 -0.04 -3.80 3.32 -1.28 -2.12 116.42 112.60 1gqo h ASP 86 Ca 0.17 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 1gqo h ASP 86 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1gqo h ASP 86 CO -0.28 0.16 -0.29 0.00 -1.72 0.00 0.00 179.24 177.11 1gqo h ALA 87 N 1.84 0.09 -0.84 3.45 0.00 -1.24 -2.04 119.26 120.52 1gqo h ALA 87 Ca -0.00 -0.44 0.09 0.00 0.00 0.00 0.00 54.91 54.56 1gqo h ALA 87 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1gqo h ALA 87 CO 0.02 0.14 0.49 0.28 0.00 0.00 0.00 179.25 180.17 1gqo h VAL 88 N -0.28 0.92 -0.07 0.00 2.07 -0.75 -2.14 116.25 115.99 1gqo h VAL 88 Ca -0.02 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1gqo h VAL 88 Cb 0.97 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1gqo h VAL 88 CO 0.06 0.15 -0.28 0.28 0.02 0.00 0.00 177.57 177.80 1gqo h SER 89 N 0.82 0.13 0.14 0.57 0.02 -1.26 -2.87 113.55 111.09 1gqo h SER 89 Ca 0.40 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1gqo h SER 89 Cb 0.36 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1gqo h SER 89 CO -0.24 0.41 -0.04 -1.54 -1.14 0.00 0.00 176.83 174.28 1gqo n SER 90 N -4.16 0.61 -4.66 3.07 3.41 -0.78 -4.89 113.62 106.22 1gqo n SER 90 Ca -0.01 -0.97 -0.24 0.00 -0.26 0.00 0.00 58.87 57.39 1gqo n SER 90 Cb 0.36 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.19 3.03 -0.68 -1.33 -4.36 -1.09 -5.05 121.20 109.53 1gqo s ILE 91 Ca 0.38 -1.89 0.23 0.00 -0.26 0.00 0.00 60.65 59.10 1gqo s ILE 91 Cb 0.21 -2.84 -0.13 0.00 1.25 0.00 0.00 42.46 40.94 1gqo s ILE 91 CO 0.40 -0.27 1.01 -1.54 0.24 0.00 0.00 174.94 174.79 1gqo n SER 92 N -0.97 0.63 -4.77 4.36 3.41 -1.26 -4.96 113.62 110.05 1gqo n SER 92 Ca -0.05 -0.34 -0.36 0.00 -0.26 0.00 0.00 58.87 57.87 1gqo n SER 92 Cb 0.61 0.84 -0.01 0.00 -0.26 0.00 0.00 64.21 65.39 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 -3.71 3.90 0.09 1.04 1.43 -1.26 -4.99 118.68 115.17 1gqo s LEU 93 Ca 0.04 2.20 -0.31 0.00 -1.03 0.00 0.00 54.13 55.04 1gqo s LEU 93 Cb 0.15 -4.40 -0.07 0.00 0.03 0.00 0.00 46.19 41.90 1gqo s LEU 93 CO 0.81 -1.00 1.29 -2.16 0.23 0.00 0.00 176.35 175.51 1gqo s PRO 94 N -2.97 4.38 -0.06 1.29 0.04 -1.26 -4.91 135.00 131.51 1gqo s PRO 94 Ca 0.67 1.91 0.05 0.00 0.04 0.00 0.00 61.00 63.67 1gqo s PRO 94 Cb -0.25 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 1gqo s PRO 94 CO 0.30 -0.34 -0.22 0.08 0.04 0.00 0.00 177.00 176.86 1gqo s VAL 95 N 1.07 2.36 -0.13 -0.36 1.01 -1.26 -2.16 120.40 120.94 1gqo s VAL 95 Ca 0.61 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1gqo s VAL 95 Cb -0.33 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1gqo s VAL 95 CO 0.30 0.57 -0.20 -0.69 0.00 0.00 0.00 175.10 175.08 1gqo s VAL 96 N -0.27 1.89 -0.02 2.92 1.01 -0.60 -0.68 120.40 124.65 1gqo s VAL 96 Ca 0.00 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 1gqo s VAL 96 Cb -0.13 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1gqo s VAL 96 CO 0.03 0.52 0.70 -0.70 0.00 0.00 0.00 175.10 175.65 1gqo s GLU 97 N 0.85 4.43 -0.02 2.72 2.12 -0.80 -1.60 118.70 126.41 1gqo s GLU 97 Ca -0.07 0.91 0.03 0.00 0.36 0.00 0.00 54.97 56.20 1gqo s GLU 97 Cb -0.15 -3.40 -0.00 0.00 0.26 0.00 0.00 34.13 30.83 1gqo s GLU 97 CO -0.02 0.18 -0.09 0.08 -0.54 0.00 0.00 175.26 174.87 1gqo s VAL 98 N 0.39 0.74 -0.01 3.70 1.01 0.09 -0.63 120.40 125.68 1gqo s VAL 98 Ca 0.37 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1gqo s VAL 98 Cb -0.19 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1gqo s VAL 98 CO 0.19 0.22 0.03 -1.00 0.00 0.00 0.00 175.10 174.54 1gqo s HIS 99 N -0.02 0.00 -0.08 5.22 3.76 -0.83 -4.23 115.29 119.11 1gqo s HIS 99 Ca 0.00 0.10 -0.25 0.00 -0.15 0.00 0.00 55.06 54.76 1gqo s HIS 99 Cb -0.06 -0.12 -0.26 0.00 1.11 0.00 0.00 32.58 33.26 1gqo s HIS 99 CO -0.00 -0.05 0.92 -0.07 -0.85 0.00 0.00 174.74 174.69 1gqo h LEU 100 N 6.74 0.19-10.35 0.89 4.07 -1.87 -2.55 115.31 112.43 1gqo h LEU 100 Ca -0.35 -0.88 -0.50 0.00 0.08 0.00 0.00 57.88 56.22 1gqo h LEU 100 Cb 1.16 -0.06 0.05 0.00 1.08 0.00 0.00 40.66 42.90 1gqo h LEU 100 CO 0.49 1.05 0.33 -0.94 -1.08 0.00 0.00 178.44 178.29 1gqo s SER 101 N -6.40 6.22 -0.83 -0.43 1.04 -1.26 -1.26 113.70 110.79 1gqo s SER 101 Ca -0.16 1.28 -0.25 0.00 0.48 0.00 0.00 55.95 57.29 1gqo s SER 101 Cb -0.00 -2.40 -0.00 0.00 0.10 0.00 0.00 66.02 63.72 1gqo s SER 101 CO 0.74 -0.80 1.69 0.21 0.98 0.00 0.00 173.24 176.07 1gqo s ASN 102 N -4.16 5.67 0.36 7.02 3.84 -1.26 -2.57 114.94 123.83 1gqo s ASN 102 Ca 0.53 -0.56 0.09 0.00 0.21 0.00 0.00 52.86 53.13 1gqo s ASN 102 Cb -0.11 -2.55 0.83 0.00 -0.55 0.00 0.00 41.25 38.87 1gqo s ASN 102 CO 0.51 -2.21 1.89 -0.07 -2.79 0.00 0.00 177.10 174.44 1gqo h LEU 103 N 15.49 0.63 -2.00 3.21 3.38 -1.93 -2.66 115.31 131.44 1gqo h LEU 103 Ca -0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gqo h LEU 103 Cb 1.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1gqo h LEU 103 CO 1.28 0.34 0.00 1.88 0.09 0.00 0.00 178.44 182.02 1gqo h TYR 104 N 0.68 0.00 -0.01 1.13 0.99 -1.88 -0.66 116.97 117.21 1gqo h TYR 104 Ca 0.42 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.15 1gqo h TYR 104 Cb 0.65 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.38 1gqo h TYR 104 CO -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 178.16 177.93 1gqo n ALA 105 N -2.01 3.02 -2.28 3.88 0.00 -1.00 -4.96 120.51 117.15 1gqo n ALA 105 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1gqo n ALA 105 Cb 0.17 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.09 3.40 -1.70 0.00 1.74 -0.25 -5.07 116.66 114.68 1gqo n ARG 106 Ca 0.13 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.84 1gqo n ARG 106 Cb 0.41 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.91 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 1.19 0.12 5.56 4.71 -1.26 -4.91 120.64 126.05 1gqo n GLU 107 Ca 0.00 0.46 0.06 0.00 -0.01 0.00 0.00 57.16 57.67 1gqo n GLU 107 Cb 0.00 -2.45 0.52 0.00 -1.01 0.00 0.00 31.44 28.50 1gqo n GLU 107 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1gqo h GLU 108 N 0.72 0.30 0.00 3.49 4.81 -1.96 -1.30 114.58 120.64 1gqo h GLU 108 Ca -0.50 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1gqo h GLU 108 Cb 1.34 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1gqo h GLU 108 CO 0.53 0.20 -0.05 0.27 -0.73 0.00 0.00 179.01 179.23 1gqo h PHE 109 N 0.31 0.00 -0.01 0.92 -5.15 -1.97 -0.77 116.94 110.27 1gqo h PHE 109 Ca 0.08 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.85 1gqo h PHE 109 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.14 1gqo h PHE 109 CO -0.00 0.05 -0.13 0.54 -2.00 0.00 0.00 178.31 176.77 1gqo n ARG 110 N -3.31 0.99 0.00 6.09 1.74 -0.49 -4.12 116.66 117.56 1gqo n ARG 110 Ca -0.01 -0.48 0.05 0.00 -0.77 0.00 0.00 57.85 56.63 1gqo n ARG 110 Cb 0.22 -1.49 0.28 0.00 -1.02 0.00 0.00 32.46 30.45 1gqo n ARG 110 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1gqo n HIS 111 N -0.58 0.00 -3.84 -1.55 8.25 -0.29 -4.77 115.22 112.43 1gqo n HIS 111 Ca 0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.49 1gqo n HIS 111 Cb 0.31 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.29 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 -2.00 0.08 -0.14 -0.41 0.00 -1.26 -5.02 119.66 110.91 1gqo s GLN 112 Ca 0.14 0.11 -0.03 0.00 -0.00 0.00 0.00 55.36 55.58 1gqo s GLN 112 Cb 0.06 0.03 -0.03 0.00 0.00 0.00 0.00 33.01 33.08 1gqo s GLN 112 CO 0.11 -0.02 -0.05 0.45 0.00 0.00 0.00 175.29 175.78 1gqo s SER 113 N 0.08 4.73 0.00 12.60 0.15 -1.26 -4.20 113.70 125.80 1gqo s SER 113 Ca -0.00 -0.13 0.27 0.00 0.70 0.00 0.00 55.95 56.78 1gqo s SER 113 Cb -0.01 -1.71 0.84 0.00 -1.71 0.00 0.00 66.02 63.43 1gqo s SER 113 CO -0.00 0.19 1.65 1.33 1.20 0.00 0.00 173.24 177.61 1gqo n VAL 114 N 3.38 0.01 0.01 4.45 0.24 0.31 -3.89 118.33 122.85 1gqo n VAL 114 Ca -0.18 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.34 61.99 1gqo n VAL 114 Cb 0.53 -0.11 -0.14 0.00 -1.47 0.00 0.00 33.84 32.65 1gqo n VAL 114 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1gqo h ILE 115 N 0.00 0.99 -0.74 1.34 2.04 -1.87 -3.41 117.51 115.86 1gqo h ILE 115 Ca 0.00 -2.75 0.07 0.00 1.00 0.00 0.00 64.86 63.18 1gqo h ILE 115 Cb 0.51 2.57 -0.05 0.00 -0.74 0.00 0.00 36.82 39.11 1gqo h ILE 115 CO 0.00 0.70 0.48 0.00 0.00 0.00 0.00 178.15 179.33 1gqo h ALA 116 N 0.71 1.73 -0.11 1.87 0.00 -1.92 -2.23 119.26 119.31 1gqo h ALA 116 Ca -0.27 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1gqo h ALA 116 Cb 1.99 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1gqo h ALA 116 CO 0.11 0.15 0.09 -1.35 0.00 0.00 0.00 179.25 178.24 1gqo h PRO 117 N 0.74 0.00 -0.25 0.00 0.11 -1.80 -2.66 132.00 128.14 1gqo h PRO 117 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1gqo h PRO 117 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1gqo h PRO 117 CO -0.11 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.01 1gqo n VAL 118 N -4.33 0.51 -2.65 3.15 0.24 -0.85 -5.00 118.33 109.41 1gqo n VAL 118 Ca -0.00 -0.76 -0.23 0.00 -2.04 0.00 0.00 64.34 61.31 1gqo n VAL 118 Cb 0.20 0.89 0.11 0.00 -1.47 0.00 0.00 33.84 33.58 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 -1.11 3.83 0.11 2.33 0.00 -1.00 -4.77 121.76 121.15 1gqo s ALA 119 Ca 0.24 -1.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 1gqo s ALA 119 Cb 0.14 -1.91 -0.11 0.00 0.00 0.00 0.00 23.12 21.24 1gqo s ALA 119 CO 0.20 -1.46 1.37 0.87 0.00 0.00 0.00 175.76 176.75 1gqo h LYS 120 N -0.49 0.83 0.00 0.00 1.79 -1.19 -3.48 116.57 114.02 1gqo h LYS 120 Ca -0.35 -0.55 0.00 0.00 -2.18 0.00 0.00 60.65 57.57 1gqo h LYS 120 Cb 1.27 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1gqo h LYS 120 CO 0.39 1.18 0.00 0.41 -1.08 0.00 0.00 179.45 180.35 1gqo n GLY 121 N 0.44 -1.22 3.00 3.86 0.00 -1.24 -5.07 105.19 104.95 1gqo n GLY 121 Ca -0.05 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.11 0.15 -0.08 1.61 0.74 -1.26 -1.90 119.66 117.80 1gqo s GLN 122 Ca 0.00 0.16 0.05 0.00 0.05 0.00 0.00 55.36 55.61 1gqo s GLN 122 Cb 0.00 0.07 -0.01 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 0.03 2.18 0.02 -2.34 1.01 0.20 -4.98 121.20 117.32 1gqo s ILE 123 Ca -0.00 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.67 1gqo s ILE 123 Cb -0.01 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 1gqo s ILE 123 CO 0.00 0.56 -0.08 -0.69 0.00 0.00 0.00 174.94 174.73 1gqo s VAL 124 N 0.08 0.61 0.00 2.92 1.01 -1.26 -1.96 120.40 121.80 1gqo s VAL 124 Ca -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1gqo s VAL 124 Cb -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1gqo s VAL 124 CO 0.06 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1gqo n GLY 125 N 2.14 2.31 1.68 4.51 0.00 -0.96 -4.84 105.19 110.02 1gqo n GLY 125 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 5.00 0.00 0.99 4.77 -1.20 -4.41 117.00 122.15 1gqo n LEU 126 Ca 0.00 -2.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 1gqo n LEU 126 Cb 0.00 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1gqo n LEU 126 CO 0.00 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1gqo n GLY 127 N 0.19 0.44 0.27 -0.72 0.00 -0.39 -3.60 105.19 101.38 1gqo n GLY 127 Ca 0.28 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.73 1.60 -0.76 4.61 0.00 -1.91 -1.05 119.26 121.03 1gqo h ALA 128 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1gqo h ALA 128 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1gqo h ALA 128 CO 0.00 0.07 0.50 1.49 0.00 0.00 0.00 179.25 181.31 1gqo h GLU 129 N 0.00 0.56 -0.98 0.00 4.57 -1.98 -0.97 114.58 115.78 1gqo h GLU 129 Ca -0.00 -0.03 0.29 0.00 -1.18 0.00 0.00 59.36 58.44 1gqo h GLU 129 Cb 0.13 -0.13 -0.14 0.00 -0.16 0.00 0.00 28.75 28.45 1gqo h GLU 129 CO 0.01 0.37 0.53 0.78 -1.18 0.00 0.00 179.01 179.51 1gqo h GLY 130 N 0.58 1.92 0.97 1.92 0.00 -1.24 0.33 103.07 107.55 1gqo h GLY 130 Ca 0.36 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 1gqo h GLY 130 CO -0.13 -0.41 0.16 -0.97 0.00 0.00 0.00 176.54 175.18 1gqo h TYR 131 N 0.37 0.78 -0.54 5.60 -1.99 -1.36 -2.01 116.97 117.81 1gqo h TYR 131 Ca 0.68 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 61.32 1gqo h TYR 131 Cb 1.48 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 39.96 1gqo h TYR 131 CO -0.05 0.68 0.26 0.87 -0.00 0.00 0.00 178.16 179.92 1gqo h LYS 132 N 0.65 0.78 -0.46 4.88 1.57 -1.08 -1.68 116.57 121.22 1gqo h LYS 132 Ca 0.16 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1gqo h LYS 132 Cb 0.26 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1gqo h LYS 132 CO -0.01 0.64 0.26 -0.07 -0.57 0.00 0.00 179.45 179.71 1gqo h LEU 133 N 0.73 0.41 -0.89 2.94 3.38 -1.13 -0.45 115.31 120.29 1gqo h LEU 133 Ca 0.19 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1gqo h LEU 133 Cb 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1gqo h LEU 133 CO -0.02 0.29 -0.17 0.00 0.09 0.00 0.00 178.44 178.63 1gqo h ALA 134 N 1.22 1.06 -0.37 1.53 0.00 -1.28 -0.96 119.26 120.47 1gqo h ALA 134 Ca 0.19 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1gqo h ALA 134 Cb 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1gqo h ALA 134 CO -0.10 0.57 -0.13 0.28 0.00 0.00 0.00 179.25 179.87 1gqo h VAL 135 N 0.57 1.25 -0.20 0.00 2.07 -0.68 -1.55 116.25 117.71 1gqo h VAL 135 Ca 0.09 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1gqo h VAL 135 Cb 0.61 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1gqo h VAL 135 CO 0.04 0.38 0.01 0.03 0.02 0.00 0.00 177.57 178.05 1gqo h ARG 136 N 0.59 0.35 -0.33 1.57 3.08 -0.96 -1.89 114.38 116.78 1gqo h ARG 136 Ca 0.10 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1gqo h ARG 136 Cb 0.56 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 1gqo h ARG 136 CO 0.04 0.53 0.01 -0.92 -1.07 0.00 0.00 179.97 178.56 1gqo h TYR 137 N 0.12 0.00 -0.96 3.04 3.20 -0.82 -2.18 116.97 119.36 1gqo h TYR 137 Ca 0.06 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.99 1gqo h TYR 137 Cb 0.37 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 1gqo h TYR 137 CO 0.03 -0.05 0.63 -0.07 -1.64 0.00 0.00 178.16 177.06 1gqo h LEU 138 N 0.11 1.04 -1.15 2.82 4.07 -1.17 -1.73 115.31 119.30 1gqo h LEU 138 Ca 0.16 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.18 1gqo h LEU 138 Cb 0.21 -0.24 -0.06 0.00 1.08 0.00 0.00 40.66 41.65 1gqo h LEU 138 CO -0.26 0.71 0.59 0.25 -1.08 0.00 0.00 178.44 178.65 1gqo h LEU 139 N 1.21 0.88 -0.04 1.67 6.46 -0.71 -1.18 115.31 123.60 1gqo h LEU 139 Ca 0.38 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.15 1gqo h LEU 139 Cb 0.02 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1gqo h LEU 139 CO -0.12 0.56 0.00 -1.54 -0.62 0.00 0.00 178.44 176.72 1gqo n SER 140 N -4.50 0.02 -0.15 1.25 3.41 -0.65 -5.12 113.62 107.89 1gqo n SER 140 Ca 0.14 -1.18 0.02 0.00 -0.26 0.00 0.00 58.87 57.59 1gqo n SER 140 Cb 0.22 -0.01 0.02 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