#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 2.93 0.08 0.54 2.46 -1.25 -2.11 115.29 117.94 1gqo s HIS 2 Ca 0.00 -1.32 0.06 0.00 0.47 0.00 0.00 55.06 54.27 1gqo s HIS 2 Cb 0.00 -2.04 -0.04 0.00 -0.13 0.00 0.00 32.58 30.38 1gqo s HIS 2 CO 0.00 -0.68 -0.11 -0.06 -2.47 0.00 0.00 174.74 171.43 1gqo s PHE 3 N 1.38 2.73 -0.17 3.88 2.99 0.32 -1.68 117.98 127.43 1gqo s PHE 3 Ca 0.04 -0.15 -0.13 0.00 0.00 0.00 0.00 56.93 56.68 1gqo s PHE 3 Cb -0.14 -1.47 -0.05 0.00 0.00 0.00 0.00 43.02 41.36 1gqo s PHE 3 CO -0.07 0.39 0.27 -1.17 -0.00 0.00 0.00 175.22 174.65 1gqo s LEU 4 N -1.94 4.23 -0.43 -0.37 0.20 -0.88 -1.18 118.68 118.32 1gqo s LEU 4 Ca 0.19 0.46 -0.11 0.00 0.69 0.00 0.00 54.13 55.36 1gqo s LEU 4 Cb -0.11 -2.34 0.07 0.00 -0.43 0.00 0.00 46.19 43.38 1gqo s LEU 4 CO 0.11 0.10 0.29 -0.63 -0.29 0.00 0.00 176.35 175.93 1gqo s ILE 5 N 0.52 4.56 -0.28 6.68 -1.09 0.08 -0.89 121.20 130.79 1gqo s ILE 5 Ca 0.15 -1.22 -0.06 0.00 -2.23 0.00 0.00 60.65 57.30 1gqo s ILE 5 Cb -0.13 -3.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1gqo s ILE 5 CO 0.03 -0.48 0.05 -0.22 -1.23 0.00 0.00 174.94 173.09 1gqo s LEU 6 N 1.51 3.66 -0.12 2.97 0.20 0.12 -1.65 118.68 125.37 1gqo s LEU 6 Ca 0.03 -0.70 -0.01 0.00 0.69 0.00 0.00 54.13 54.14 1gqo s LEU 6 Cb -0.23 -1.84 -0.03 0.00 -0.43 0.00 0.00 46.19 43.67 1gqo s LEU 6 CO 0.04 -0.16 -0.07 0.20 -0.29 0.00 0.00 176.35 176.07 1gqo s ASN 7 N 1.47 4.56 0.00 3.68 0.01 0.04 -1.67 114.94 123.04 1gqo s ASN 7 Ca 0.02 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 1gqo s ASN 7 Cb -0.17 -1.50 0.00 0.00 0.41 0.00 0.00 41.25 39.99 1gqo s ASN 7 CO 0.01 0.24 0.00 0.61 -1.51 0.00 0.00 177.10 176.45 1gqo n GLY 8 N 3.03 1.73 3.66 0.66 0.00 0.39 -2.08 105.19 112.57 1gqo n GLY 8 Ca -0.18 -1.99 -0.45 0.00 0.00 0.00 0.00 46.02 43.40 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 0.00 1.89 0.00 1.61 -0.04 -1.01 -2.78 135.00 134.67 1gqo n PRO 9 Ca 0.00 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1gqo n PRO 9 Cb 0.00 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 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 1.73 0.00 0.05 3.54 3.02 -1.26 -4.51 115.26 117.83 1gqo n ASN 10 Ca 0.10 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.75 1gqo n ASN 10 Cb 0.32 -0.31 0.55 0.00 -0.61 0.00 0.00 39.78 39.72 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 0.95 0.00 2.41 2.07 -1.90 -1.03 116.25 118.76 1gqo h VAL 11 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1gqo h VAL 11 Cb 0.00 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1gqo h VAL 11 CO 0.00 0.05 0.00 -0.55 0.02 0.00 0.00 177.57 177.09 1gqo h ASN 12 N 0.27 0.00 -0.41 0.57 -1.07 -1.88 -2.61 115.58 110.45 1gqo h ASN 12 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.53 1gqo h ASN 12 Cb 0.31 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.56 1gqo h ASN 12 CO -0.03 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.01 1gqo n ARG 13 N -2.45 2.16 -1.61 4.14 5.12 -0.39 -4.69 116.66 118.93 1gqo n ARG 13 Ca -0.01 -1.78 -0.42 0.00 -1.93 0.00 0.00 57.85 53.71 1gqo n ARG 13 Cb 0.11 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 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 0.96 2.48 0.00 0.55 7.94 -0.98 -2.54 117.00 125.40 1gqo n LEU 14 Ca 0.17 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 1gqo n LEU 14 Cb 0.45 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1gqo n LEU 14 CO 0.13 -1.35 0.00 0.61 -1.11 0.00 0.00 177.39 175.67 1gqo n GLY 15 N 1.15 2.13 1.29 -3.96 0.00 -1.24 -4.25 105.19 100.31 1gqo n GLY 15 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 3.32 -0.30 1.61 3.41 -1.05 -4.86 113.62 115.73 1gqo n SER 16 Ca 0.00 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 1gqo n SER 16 Cb 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1gqo n SER 16 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1gqo n ARG 17 N 0.13 0.00 -1.68 4.33 1.85 -1.26 -5.14 116.66 114.90 1gqo n ARG 17 Ca 0.18 0.00 -0.47 0.00 -1.00 0.00 0.00 57.85 56.56 1gqo n ARG 17 Cb 0.81 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 32.18 1gqo n ARG 17 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1gqo n GLU 18 N 0.00 2.26 -0.14 2.89 0.28 -1.26 -4.88 120.64 119.79 1gqo n GLU 18 Ca 0.00 0.82 0.12 0.00 -0.16 0.00 0.00 57.16 57.94 1gqo n GLU 18 Cb 0.00 -2.65 0.24 0.00 1.43 0.00 0.00 31.44 30.45 1gqo n GLU 18 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1gqo n PRO 19 N 5.51 2.31 0.07 3.44 -0.04 -1.26 -1.89 135.00 143.14 1gqo n PRO 19 Ca 0.20 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 1gqo n PRO 19 Cb 0.30 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 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 4.02 0.00 0.00 0.54 5.08 -1.90 -1.97 114.58 120.36 1gqo h GLU 20 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1gqo h GLU 20 Cb 0.88 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 1gqo h GLU 20 CO 0.00 0.40 -2.14 0.28 -1.00 0.00 0.00 179.01 176.54 1gqo n VAL 21 N -3.02 1.15 -0.02 3.13 0.31 -1.25 -4.83 118.33 113.80 1gqo n VAL 21 Ca -0.06 -0.43 0.04 0.00 -0.01 0.00 0.00 64.34 63.88 1gqo n VAL 21 Cb 0.82 -1.23 -0.11 0.00 -0.91 0.00 0.00 33.84 32.40 1gqo n VAL 21 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1gqo n PHE 22 N -3.12 0.00 0.00 3.52 3.01 -0.79 -4.41 117.46 115.66 1gqo n PHE 22 Ca -0.36 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.10 1gqo n PHE 22 Cb 0.87 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 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 1.80 2.46 0.20 1.37 0.00 -0.74 -4.85 105.19 105.43 1gqo n GLY 23 Ca -0.08 -1.79 0.06 0.00 0.00 0.00 0.00 46.02 44.21 1gqo n GLY 23 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gqo h ARG 24 N 0.00 0.00 -7.03 1.61 3.08 -1.93 -3.39 114.38 106.72 1gqo h ARG 24 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1gqo h ARG 24 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1gqo h ARG 24 CO 0.00 0.34 0.30 -0.65 -1.07 0.00 0.00 179.97 178.89 1gqo s GLN 25 N -3.81 4.12 0.69 0.04 -0.21 -1.26 -4.77 119.66 114.46 1gqo s GLN 25 Ca -0.01 0.99 -0.03 0.00 0.02 0.00 0.00 55.36 56.33 1gqo s GLN 25 Cb 0.12 -2.22 0.09 0.00 1.00 0.00 0.00 33.01 32.00 1gqo s GLN 25 CO 0.68 -0.05 0.97 0.95 -2.12 0.00 0.00 175.29 175.71 1gqo s THR 26 N -2.25 2.32 0.26 -0.19 -4.23 -1.26 -3.61 115.64 106.67 1gqo s THR 26 Ca 0.60 -0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 60.61 1gqo s THR 26 Cb -0.09 -2.85 0.13 0.00 1.34 0.00 0.00 72.50 71.03 1gqo s THR 26 CO 0.18 0.00 1.78 0.25 -0.54 0.00 0.00 174.62 176.29 1gqo h LEU 27 N -0.47 0.83 -0.02 4.79 5.85 -1.83 -1.65 115.31 122.81 1gqo h LEU 27 Ca -0.41 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.16 1gqo h LEU 27 Cb 1.29 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1gqo h LEU 27 CO 0.49 0.84 -0.11 0.74 -0.34 0.00 0.00 178.44 180.06 1gqo h THR 28 N 0.83 0.72 -0.32 1.05 2.02 -1.94 -0.62 112.91 114.65 1gqo h THR 28 Ca 0.17 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.42 1gqo h THR 28 Cb 0.37 0.72 -0.07 0.00 -1.74 0.00 0.00 68.15 67.42 1gqo h THR 28 CO 0.01 0.00 -0.12 0.44 0.37 0.00 0.00 175.52 176.21 1gqo h ASP 29 N -0.18 -0.43 -0.58 4.18 3.32 -1.80 -1.47 116.42 119.46 1gqo h ASP 29 Ca 0.05 0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.27 1gqo h ASP 29 Cb 0.24 0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.99 1gqo h ASP 29 CO -0.12 -0.16 0.28 0.40 -1.72 0.00 0.00 179.24 177.92 1gqo h ILE 30 N -0.06 0.91 -0.23 0.35 2.04 -0.94 -1.41 117.51 118.18 1gqo h ILE 30 Ca 0.16 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 1gqo h ILE 30 Cb 0.31 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1gqo h ILE 30 CO -0.36 0.10 -0.02 -0.08 0.00 0.00 0.00 178.15 177.78 1gqo h GLU 31 N 0.53 0.34 -0.14 2.37 4.81 -0.72 0.80 114.58 122.57 1gqo h GLU 31 Ca 0.27 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1gqo h GLU 31 Cb 0.21 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1gqo h GLU 31 CO -0.20 0.39 -0.06 1.15 -0.73 0.00 0.00 179.01 179.56 1gqo h THR 32 N 0.33 1.31 -0.43 0.32 2.02 -0.25 -2.20 112.91 114.01 1gqo h THR 32 Ca 0.08 -1.08 -0.08 0.00 0.77 0.00 0.00 66.41 66.09 1gqo h THR 32 Cb 0.27 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1gqo h THR 32 CO 0.01 0.32 -0.06 0.44 0.37 0.00 0.00 175.52 176.59 1gqo h ASP 33 N -0.04 0.72 0.18 4.18 3.32 -0.88 -2.69 116.42 121.20 1gqo h ASP 33 Ca 0.03 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 1gqo h ASP 33 Cb 0.52 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1gqo h ASP 33 CO 0.02 0.82 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.98 1gqo h LEU 34 N 0.68 0.20 -1.23 1.55 3.38 -0.74 -2.18 115.31 116.98 1gqo h LEU 34 Ca 0.13 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1gqo h LEU 34 Cb 0.51 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1gqo h LEU 34 CO 0.03 0.52 0.52 0.15 0.09 0.00 0.00 178.44 179.75 1gqo h PHE 35 N 0.18 0.99 0.11 1.13 3.57 -1.06 0.87 116.94 122.73 1gqo h PHE 35 Ca 0.02 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.41 1gqo h PHE 35 Cb 0.65 -0.34 0.02 0.00 2.79 0.00 0.00 35.95 39.07 1gqo h PHE 35 CO 0.01 0.62 -0.62 1.96 -2.23 0.00 0.00 178.31 178.05 1gqo h GLN 36 N 1.07 0.23 -0.62 1.11 4.20 -1.44 -0.68 115.11 118.97 1gqo h GLN 36 Ca 0.29 -0.39 0.13 0.00 0.06 0.00 0.00 58.65 58.74 1gqo h GLN 36 Cb -0.12 0.15 -0.10 0.00 0.30 0.00 0.00 27.48 27.70 1gqo h GLN 36 CO -0.06 1.19 0.04 0.35 -0.67 0.00 0.00 178.83 179.67 1gqo h PHE 37 N -0.52 0.03 0.05 2.96 3.57 -1.29 0.85 116.94 122.59 1gqo h PHE 37 Ca -0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1gqo h PHE 37 Cb 1.49 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.31 1gqo h PHE 37 CO 0.22 -0.13 -0.04 0.00 -2.23 0.00 0.00 178.31 176.12 1gqo h ALA 38 N 1.55 -0.08 -0.71 2.41 0.00 -0.85 -2.90 119.26 118.69 1gqo h ALA 38 Ca 0.33 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1gqo h ALA 38 Cb 0.53 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1gqo h ALA 38 CO -0.50 -0.55 0.47 0.93 0.00 0.00 0.00 179.25 179.59 1gqo h GLU 39 N -0.09 0.92 0.00 0.00 5.08 0.61 -1.61 114.58 119.50 1gqo h GLU 39 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1gqo h GLU 39 Cb 0.09 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1gqo h GLU 39 CO -0.01 0.61 0.00 0.00 -1.00 0.00 0.00 179.01 178.61 1gqo n ALA 40 N -2.30 1.68 0.49 3.43 0.00 0.09 -2.57 120.51 121.33 1gqo n ALA 40 Ca 0.07 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.62 1gqo n ALA 40 Cb 0.03 -1.32 0.12 0.00 0.00 0.00 0.00 19.45 18.27 1gqo n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gqo n LEU 41 N -1.90 2.75 -3.19 0.00 4.77 -0.95 -5.00 117.00 113.49 1gqo n LEU 41 Ca 0.03 -1.25 -0.08 0.00 -0.03 0.00 0.00 56.01 54.67 1gqo n LEU 41 Cb 0.21 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1gqo n LEU 41 CO 0.17 0.55 0.18 1.41 -1.33 0.00 0.00 177.39 178.37 1gqo n HIS 42 N 1.05 -2.70 -3.70 -1.77 8.25 -0.95 -5.04 115.22 110.36 1gqo n HIS 42 Ca 0.13 0.98 -0.13 0.00 -0.26 0.00 0.00 57.72 58.44 1gqo n HIS 42 Cb 0.47 -4.05 -0.07 0.00 1.12 0.00 0.00 29.99 27.46 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 -3.18 0.06 0.07 1.59 -4.36 -0.65 -4.54 121.20 110.19 1gqo s ILE 43 Ca 0.21 -0.51 0.03 0.00 -0.26 0.00 0.00 60.65 60.12 1gqo s ILE 43 Cb -0.03 -0.90 -0.04 0.00 1.25 0.00 0.00 42.46 42.74 1gqo s ILE 43 CO 0.76 -0.28 0.04 -1.10 0.24 0.00 0.00 174.94 174.59 1gqo s GLN 44 N -2.30 2.75 -0.00 0.37 -0.21 -0.90 -4.18 119.66 115.20 1gqo s GLN 44 Ca -0.07 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 54.61 1gqo s GLN 44 Cb -0.01 -2.65 -0.00 0.00 1.00 0.00 0.00 33.01 31.34 1gqo s GLN 44 CO -0.01 0.57 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.17 1gqo s LEU 45 N -2.20 2.02 -0.02 2.90 1.43 -1.26 -0.53 118.68 121.02 1gqo s LEU 45 Ca 0.26 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.33 1gqo s LEU 45 Cb -0.12 -0.24 -0.02 0.00 0.03 0.00 0.00 46.19 45.85 1gqo s LEU 45 CO 0.18 0.05 -0.23 -0.89 0.23 0.00 0.00 176.35 175.70 1gqo s THR 46 N -0.15 1.80 -0.04 5.49 2.01 -0.32 -4.93 115.64 119.50 1gqo s THR 46 Ca 0.01 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1gqo s THR 46 Cb -0.02 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1gqo s THR 46 CO -0.00 0.51 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.03 1gqo s PHE 47 N -0.44 2.99 -0.20 4.92 0.40 -1.26 -0.74 117.98 123.64 1gqo s PHE 47 Ca 0.06 0.04 -0.10 0.00 -0.60 0.00 0.00 56.93 56.33 1gqo s PHE 47 Cb -0.10 -1.68 0.07 0.00 0.51 0.00 0.00 43.02 41.82 1gqo s PHE 47 CO -0.00 0.39 0.47 0.12 0.70 0.00 0.00 175.22 176.90 1gqo s PHE 48 N -0.94 -0.73 -0.01 0.36 5.36 -0.66 -4.97 117.98 116.41 1gqo s PHE 48 Ca 0.15 1.49 0.03 0.00 -0.96 0.00 0.00 56.93 57.65 1gqo s PHE 48 Cb -0.11 0.35 -0.01 0.00 -0.34 0.00 0.00 43.02 42.91 1gqo s PHE 48 CO 0.05 -0.40 -0.10 -1.14 -1.46 0.00 0.00 175.22 172.18 1gqo s GLN 49 N 1.61 0.78 -0.00 10.12 -0.44 -1.26 -0.78 119.66 129.69 1gqo s GLN 49 Ca -0.09 -0.36 -0.26 0.00 -2.50 0.00 0.00 55.36 52.15 1gqo s GLN 49 Cb -0.08 -0.75 0.06 0.00 -1.64 0.00 0.00 33.01 30.59 1gqo s GLN 49 CO -0.14 0.21 0.58 0.45 0.50 0.00 0.00 175.29 176.89 1gqo s SER 50 N -0.27 -0.53 0.00 6.67 0.15 -0.88 -5.00 113.70 113.83 1gqo s SER 50 Ca 0.03 0.43 0.25 0.00 0.70 0.00 0.00 55.95 57.36 1gqo s SER 50 Cb -0.04 0.50 0.44 0.00 -1.71 0.00 0.00 66.02 65.22 1gqo s SER 50 CO -0.00 -0.65 1.37 0.59 1.20 0.00 0.00 173.24 175.74 1gqo n ASN 51 N 0.70 0.70 -4.70 5.45 3.02 -1.26 -2.39 115.26 116.78 1gqo n ASN 51 Ca -0.19 -0.49 -0.39 0.00 -0.03 0.00 0.00 54.58 53.48 1gqo n ASN 51 Cb 0.58 0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 40.03 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 -2.90 3.50 0.18 3.10 3.76 -1.26 -4.64 115.29 117.02 1gqo s HIS 52 Ca 0.13 1.07 -0.13 0.00 -0.15 0.00 0.00 55.06 55.98 1gqo s HIS 52 Cb 0.18 -2.75 0.11 0.00 1.11 0.00 0.00 32.58 31.23 1gqo s HIS 52 CO 0.69 0.02 1.81 1.49 -0.85 0.00 0.00 174.74 177.90 1gqo h GLU 53 N 6.98 0.58 0.00 1.40 4.81 -2.01 -2.31 114.58 124.02 1gqo h GLU 53 Ca -0.38 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1gqo h GLU 53 Cb 1.17 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 1gqo h GLU 53 CO 0.76 0.38 -0.02 0.78 -0.73 0.00 0.00 179.01 180.19 1gqo h GLY 54 N 0.59 0.00 0.92 1.92 0.00 -1.99 -1.87 103.07 102.65 1gqo h GLY 54 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.42 1gqo h GLY 54 CO -0.11 0.00 -0.34 -0.55 0.00 0.00 0.00 176.54 175.54 1gqo h ASP 55 N 0.00 0.67 -0.65 0.19 3.32 -1.84 -1.55 116.42 116.57 1gqo h ASP 55 Ca -0.00 -0.52 -0.04 0.00 0.02 0.00 0.00 57.03 56.48 1gqo h ASP 55 Cb 0.03 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1gqo h ASP 55 CO 0.00 1.07 0.23 -0.07 -1.72 0.00 0.00 179.24 178.75 1gqo h LEU 56 N 0.30 0.92 -0.44 1.55 3.38 -1.28 -1.32 115.31 118.43 1gqo h LEU 56 Ca 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1gqo h LEU 56 Cb 0.93 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1gqo h LEU 56 CO 0.08 0.87 0.23 0.40 0.09 0.00 0.00 178.44 180.10 1gqo h ILE 57 N 0.93 1.17 -0.20 1.22 2.04 -1.28 -0.17 117.51 121.22 1gqo h ILE 57 Ca 0.21 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1gqo h ILE 57 Cb 0.25 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1gqo h ILE 57 CO -0.01 0.18 0.05 0.44 0.00 0.00 0.00 178.15 178.81 1gqo h ASP 58 N 0.57 0.04 -0.87 1.72 3.32 -1.09 -0.77 116.42 119.33 1gqo h ASP 58 Ca 0.15 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1gqo h ASP 58 Cb 0.08 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1gqo h ASP 58 CO -0.02 0.05 0.51 0.00 -1.72 0.00 0.00 179.24 178.06 1gqo h ALA 59 N 1.13 1.24 -0.13 3.45 0.00 -1.05 -2.23 119.26 121.68 1gqo h ALA 59 Ca 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1gqo h ALA 59 Cb 0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1gqo h ALA 59 CO -0.11 0.63 0.02 0.82 0.00 0.00 0.00 179.25 180.61 1gqo h ILE 60 N 1.22 1.22 -0.75 0.00 2.04 -0.20 -1.73 117.51 119.32 1gqo h ILE 60 Ca 0.31 -0.72 0.07 0.00 1.00 0.00 0.00 64.86 65.52 1gqo h ILE 60 Cb -0.02 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 1gqo h ILE 60 CO -0.06 0.21 0.49 0.45 0.00 0.00 0.00 178.15 179.24 1gqo h HIS 61 N -0.01 0.79 0.00 1.37 3.86 -1.11 -2.44 115.15 117.61 1gqo h HIS 61 Ca 0.04 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1gqo h HIS 61 Cb 0.31 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1gqo h HIS 61 CO 0.02 0.41 -0.58 0.39 0.86 0.00 0.00 177.93 179.03 1gqo n GLU 62 N -4.48 0.28 -0.16 2.45 1.02 -0.84 -4.04 120.64 114.87 1gqo n GLU 62 Ca 0.11 0.09 -0.04 0.00 -0.02 0.00 0.00 57.16 57.31 1gqo n GLU 62 Cb 0.24 -1.69 0.16 0.00 -0.02 0.00 0.00 31.44 30.13 1gqo n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gqo h ALA 63 N 2.52 1.16 -1.04 0.62 0.00 -0.80 -3.25 119.26 118.48 1gqo h ALA 63 Ca 0.00 -0.21 0.28 0.00 0.00 0.00 0.00 54.91 54.98 1gqo h ALA 63 Cb 0.74 -0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.18 1gqo h ALA 63 CO 0.00 0.57 0.64 1.49 0.00 0.00 0.00 179.25 181.95 1gqo h GLU 64 N 0.87 0.42 -0.51 0.00 4.57 -1.70 0.23 114.58 118.46 1gqo h GLU 64 Ca 0.19 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1gqo h GLU 64 Cb 0.30 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1gqo h GLU 64 CO -0.00 0.28 0.00 0.39 -1.18 0.00 0.00 179.01 178.49 1gqo n GLU 65 N -4.81 2.21 0.00 1.92 1.02 -1.22 -4.55 120.64 115.20 1gqo n GLU 65 Ca 0.28 -1.88 0.00 0.00 -0.02 0.00 0.00 57.16 55.54 1gqo n GLU 65 Cb 0.89 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 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 1.03 2.05 -4.58 3.49 7.27 0.64 -5.13 117.38 122.16 1gqo n GLN 66 Ca 0.18 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.97 1gqo n GLN 66 Cb 0.45 -0.46 -0.11 0.00 2.41 0.00 0.00 30.24 32.53 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 -0.63 2.52 -0.85 3.69 1.51 -0.21 -4.92 117.35 118.47 1gqo s TYR 67 Ca 0.00 -0.65 0.09 0.00 -1.01 0.00 0.00 57.07 55.49 1gqo s TYR 67 Cb 0.00 -1.77 0.19 0.00 -0.11 0.00 0.00 41.96 40.26 1gqo s TYR 67 CO 0.00 0.44 1.06 -1.13 -1.11 0.00 0.00 175.55 174.81 1gqo n SER 68 N -0.98 2.41 -3.62 2.29 3.41 -0.68 -4.76 113.62 111.68 1gqo n SER 68 Ca -0.05 -1.80 -0.04 0.00 -0.26 0.00 0.00 58.87 56.73 1gqo n SER 68 Cb 0.67 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.91 -0.12 -0.02 5.00 0.00 -1.26 -4.48 107.32 105.53 1gqo s GLY 69 Ca 0.16 2.20 0.04 0.00 0.00 0.00 0.00 44.72 47.12 1gqo s GLY 69 CO 0.12 0.83 -0.14 -0.42 0.00 0.00 0.00 173.10 173.49 1gqo s ILE 70 N -1.65 1.17 -0.30 0.90 1.01 -0.78 -2.07 121.20 119.48 1gqo s ILE 70 Ca 0.08 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 1gqo s ILE 70 Cb -0.01 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 1gqo s ILE 70 CO -0.05 0.34 0.10 -0.69 0.00 0.00 0.00 174.94 174.64 1gqo s VAL 71 N -0.16 4.22 -0.14 2.92 1.01 -0.06 -1.69 120.40 126.49 1gqo s VAL 71 Ca 0.02 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1gqo s VAL 71 Cb -0.08 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1gqo s VAL 71 CO 0.00 0.10 -0.17 -0.22 0.00 0.00 0.00 175.10 174.81 1gqo s LEU 72 N 1.55 1.84 -0.54 3.92 2.96 0.13 0.11 118.68 128.66 1gqo s LEU 72 Ca 0.04 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1gqo s LEU 72 Cb -0.17 -1.26 0.14 0.00 0.50 0.00 0.00 46.19 45.41 1gqo s LEU 72 CO 0.04 -0.01 0.33 0.21 -1.32 0.00 0.00 176.35 175.60 1gqo s ASN 73 N 1.21 5.03 0.00 3.68 2.47 -0.67 -0.13 114.94 126.53 1gqo s ASN 73 Ca 0.00 -2.66 0.30 0.00 0.42 0.00 0.00 52.86 50.92 1gqo s ASN 73 Cb -0.14 -1.79 1.48 0.00 -1.45 0.00 0.00 41.25 39.35 1gqo s ASN 73 CO -0.07 -0.38 2.00 -0.81 -3.72 0.00 0.00 177.10 174.12 1gqo n PRO 74 N 3.71 0.88 0.00 0.43 -0.04 -1.26 0.15 135.00 138.86 1gqo n PRO 74 Ca 0.05 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1gqo n PRO 74 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1gqo n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gqo n GLY 75 N 1.17 0.16 0.00 0.55 0.00 -1.26 -2.95 105.19 102.86 1gqo n GLY 75 Ca 0.18 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.33 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 3.34 1.67 0.30 4.61 0.00 -1.26 -2.23 120.51 126.94 1gqo n ALA 76 Ca 0.00 -0.05 0.18 0.00 0.00 0.00 0.00 53.44 53.57 1gqo n ALA 76 Cb 0.00 -1.19 0.81 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.85 0.00 3.38 -1.91 -1.59 115.31 114.34 1gqo h LEU 77 Ca 0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 1gqo h LEU 77 Cb 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.78 1gqo h LEU 77 CO 0.00 0.00 0.37 -1.28 0.09 0.00 0.00 178.44 177.62 1gqo h SER 78 N 0.00 0.35 1.07 -0.43 0.87 -1.62 0.65 113.55 114.44 1gqo h SER 78 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1gqo h SER 78 Cb 0.34 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1gqo h SER 78 CO 0.00 0.07 -0.02 1.41 -0.53 0.00 0.00 176.83 177.76 1gqo n HIS 79 N -5.00 0.17 -0.22 2.24 8.25 -0.60 -0.24 115.22 119.82 1gqo n HIS 79 Ca 0.19 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1gqo n HIS 79 Cb 0.54 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.64 0.00 -2.52 4.41 0.18 -0.61 -4.67 117.16 112.30 1gqo n TYR 80 Ca 0.07 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.44 1gqo n TYR 80 Cb 0.36 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.29 1gqo n TYR 80 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1gqo s SER 81 N 0.00 6.46 0.47 9.48 0.15 0.12 -4.72 113.70 125.67 1gqo s SER 81 Ca 0.00 -1.66 0.27 0.00 0.70 0.00 0.00 55.95 55.25 1gqo s SER 81 Cb 0.00 -2.57 1.01 0.00 -1.71 0.00 0.00 66.02 62.75 1gqo s SER 81 CO 0.00 -1.55 1.86 1.88 1.20 0.00 0.00 173.24 176.63 1gqo h TYR 82 N 9.32 0.00 -0.38 3.44 -1.99 -1.92 -2.37 116.97 123.07 1gqo h TYR 82 Ca 0.26 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.89 1gqo h TYR 82 Cb 0.97 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.69 1gqo h TYR 82 CO 1.31 0.15 -0.16 0.00 -0.00 0.00 0.00 178.16 179.46 1gqo h ALA 83 N 1.85 1.01 -0.24 3.88 0.00 -1.99 -1.43 119.26 122.34 1gqo h ALA 83 Ca -0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 1gqo h ALA 83 Cb 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1gqo h ALA 83 CO 0.02 0.59 -0.60 0.82 0.00 0.00 0.00 179.25 180.08 1gqo h ILE 84 N 0.63 1.28 -0.46 0.00 2.04 -1.88 -2.33 117.51 116.80 1gqo h ILE 84 Ca 0.10 -1.80 0.04 0.00 1.00 0.00 0.00 64.86 64.20 1gqo h ILE 84 Cb 0.63 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 1gqo h ILE 84 CO 0.04 0.58 0.22 -0.09 0.00 0.00 0.00 178.15 178.90 1gqo h ARG 85 N 0.59 0.42 0.00 2.37 2.43 -0.93 -2.06 114.38 117.20 1gqo h ARG 85 Ca -0.00 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1gqo h ARG 85 Cb 1.20 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1gqo h ARG 85 CO 0.13 0.28 -0.38 -0.44 -1.51 0.00 0.00 179.97 178.04 1gqo h ASP 86 N 0.43 0.00 -0.16 -3.80 5.19 -1.21 -2.55 116.42 114.33 1gqo h ASP 86 Ca 0.20 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1gqo h ASP 86 Cb 0.13 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1gqo h ASP 86 CO -0.15 0.38 0.04 0.00 -3.12 0.00 0.00 179.24 176.40 1gqo h ALA 87 N 1.62 0.21 -0.69 3.45 0.00 -0.82 -2.16 119.26 120.86 1gqo h ALA 87 Ca -0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1gqo h ALA 87 Cb 0.71 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1gqo h ALA 87 CO 0.05 -0.16 0.18 0.28 0.00 0.00 0.00 179.25 179.60 1gqo h VAL 88 N 0.07 1.26 -0.30 0.00 2.07 -1.01 -1.74 116.25 116.59 1gqo h VAL 88 Ca 0.05 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1gqo h VAL 88 Cb 0.24 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1gqo h VAL 88 CO -0.00 0.36 0.05 0.28 0.02 0.00 0.00 177.57 178.28 1gqo h SER 89 N 1.04 0.40 -0.02 0.57 0.02 -1.40 -3.05 113.55 111.11 1gqo h SER 89 Ca 0.22 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1gqo h SER 89 Cb 0.34 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1gqo h SER 89 CO -0.00 0.42 0.00 -1.54 -1.14 0.00 0.00 176.83 174.57 1gqo n SER 90 N -4.35 0.23 -4.49 3.07 3.41 -0.66 -4.88 113.62 105.95 1gqo n SER 90 Ca 0.01 -1.35 -0.25 0.00 -0.26 0.00 0.00 58.87 57.02 1gqo n SER 90 Cb 0.18 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.98 2.60 -0.47 -1.33 -4.36 -1.16 -5.06 121.20 109.46 1gqo s ILE 91 Ca 0.33 -2.25 0.23 0.00 -0.26 0.00 0.00 60.65 58.70 1gqo s ILE 91 Cb 0.16 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.49 1gqo s ILE 91 CO 0.26 -0.33 1.11 -1.54 0.24 0.00 0.00 174.94 174.67 1gqo n SER 92 N -0.47 0.70 -4.78 4.36 3.41 -1.26 -4.96 113.62 110.63 1gqo n SER 92 Ca -0.07 0.10 -0.36 0.00 -0.26 0.00 0.00 58.87 58.28 1gqo n SER 92 Cb 0.59 0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 65.04 1gqo n SER 92 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gqo s LEU 93 N -4.55 3.92 0.18 1.04 1.43 -1.26 -5.00 118.68 114.45 1gqo s LEU 93 Ca 0.03 2.19 -0.30 0.00 -1.03 0.00 0.00 54.13 55.01 1gqo s LEU 93 Cb 0.12 -4.38 -0.09 0.00 0.03 0.00 0.00 46.19 41.87 1gqo s LEU 93 CO 0.78 -0.95 1.33 -2.16 0.23 0.00 0.00 176.35 175.58 1gqo s PRO 94 N -2.93 4.37 -0.05 1.29 0.04 -1.26 -4.90 135.00 131.55 1gqo s PRO 94 Ca 0.66 2.08 0.06 0.00 0.04 0.00 0.00 61.00 63.84 1gqo s PRO 94 Cb -0.25 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1gqo s PRO 94 CO 0.30 -0.30 -0.23 0.08 0.04 0.00 0.00 177.00 176.88 1gqo s VAL 95 N 0.31 1.90 -0.16 -0.36 1.01 -1.26 -1.87 120.40 119.97 1gqo s VAL 95 Ca 0.58 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1gqo s VAL 95 Cb -0.37 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1gqo s VAL 95 CO 0.37 0.53 -0.19 -0.69 0.00 0.00 0.00 175.10 175.12 1gqo s VAL 96 N -0.13 2.24 0.01 2.92 1.01 -0.68 -1.02 120.40 124.76 1gqo s VAL 96 Ca -0.03 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 1gqo s VAL 96 Cb -0.13 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1gqo s VAL 96 CO 0.03 0.53 0.80 -0.70 0.00 0.00 0.00 175.10 175.77 1gqo s GLU 97 N 1.02 4.51 -0.01 2.72 2.12 -0.81 -0.69 118.70 127.56 1gqo s GLU 97 Ca -0.02 1.11 0.03 0.00 0.36 0.00 0.00 54.97 56.45 1gqo s GLU 97 Cb -0.15 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 1gqo s GLU 97 CO -0.06 0.16 -0.09 0.08 -0.54 0.00 0.00 175.26 174.82 1gqo s VAL 98 N 0.36 0.69 -0.01 3.70 1.01 0.81 -1.39 120.40 125.56 1gqo s VAL 98 Ca 0.41 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1gqo s VAL 98 Cb -0.20 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1gqo s VAL 98 CO 0.23 0.19 -0.07 -1.00 0.00 0.00 0.00 175.10 174.46 1gqo s HIS 99 N -0.21 0.66 -0.03 5.22 3.76 -0.74 -4.03 115.29 119.92 1gqo s HIS 99 Ca 0.03 -0.14 -0.22 0.00 -0.15 0.00 0.00 55.06 54.59 1gqo s HIS 99 Cb -0.03 -0.46 -0.26 0.00 1.11 0.00 0.00 32.58 32.93 1gqo s HIS 99 CO -0.00 -0.05 1.00 -0.07 -0.85 0.00 0.00 174.74 174.77 1gqo h LEU 100 N 6.23 0.42-10.51 0.89 4.07 -1.87 -2.43 115.31 112.11 1gqo h LEU 100 Ca -0.31 -0.84 -0.47 0.00 0.08 0.00 0.00 57.88 56.33 1gqo h LEU 100 Cb 1.18 -0.13 0.07 0.00 1.08 0.00 0.00 40.66 42.86 1gqo h LEU 100 CO 0.49 1.22 0.28 -0.94 -1.08 0.00 0.00 178.44 178.41 1gqo s SER 101 N -6.71 5.19 -0.77 -0.43 1.04 -1.26 -1.36 113.70 109.39 1gqo s SER 101 Ca -0.14 0.74 -0.22 0.00 0.48 0.00 0.00 55.95 56.80 1gqo s SER 101 Cb 0.02 -1.52 0.08 0.00 0.10 0.00 0.00 66.02 64.69 1gqo s SER 101 CO 0.80 -1.40 1.09 0.21 0.98 0.00 0.00 173.24 174.93 1gqo s ASN 102 N -4.42 6.31 0.41 7.02 3.84 -1.26 -2.23 114.94 124.61 1gqo s ASN 102 Ca 0.58 -1.20 0.13 0.00 0.21 0.00 0.00 52.86 52.58 1gqo s ASN 102 Cb -0.11 -2.45 0.97 0.00 -0.55 0.00 0.00 41.25 39.12 1gqo s ASN 102 CO 0.47 -1.42 1.93 -0.07 -2.79 0.00 0.00 177.10 175.22 1gqo h LEU 103 N 11.53 0.46 -2.46 3.21 3.38 -1.92 -2.40 115.31 127.11 1gqo h LEU 103 Ca -0.14 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1gqo h LEU 103 Cb 1.05 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1gqo h LEU 103 CO 1.21 0.25 -0.03 1.88 0.09 0.00 0.00 178.44 181.84 1gqo h TYR 104 N 0.50 0.00 -0.02 1.13 -1.99 -1.89 0.22 116.97 114.92 1gqo h TYR 104 Ca 0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.09 1gqo h TYR 104 Cb 0.69 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.42 1gqo h TYR 104 CO -0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 178.16 178.09 1gqo n ALA 105 N -2.22 2.70 -2.20 3.88 0.00 -0.91 -4.96 120.51 116.80 1gqo n ALA 105 Ca -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1gqo n ALA 105 Cb 0.13 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.88 3.25 -1.31 0.00 1.74 0.07 -5.05 116.66 116.24 1gqo n ARG 106 Ca 0.14 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.86 1gqo n ARG 106 Cb 0.54 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.06 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 0.42 -0.10 5.56 4.71 -1.26 -4.89 120.64 125.08 1gqo n GLU 107 Ca 0.00 0.19 0.05 0.00 -0.01 0.00 0.00 57.16 57.39 1gqo n GLU 107 Cb 0.00 -2.08 0.38 0.00 -1.01 0.00 0.00 31.44 28.74 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 -0.31 0.65 0.00 3.49 4.81 -1.95 -0.69 114.58 120.59 1gqo h GLU 108 Ca -0.47 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1gqo h GLU 108 Cb 1.34 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1gqo h GLU 108 CO 0.45 0.43 -0.06 0.27 -0.73 0.00 0.00 179.01 179.38 1gqo h PHE 109 N 0.67 0.00 -0.37 0.92 -5.15 -1.97 -0.77 116.94 110.28 1gqo h PHE 109 Ca 0.24 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.01 1gqo h PHE 109 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.27 1gqo h PHE 109 CO -0.00 0.06 0.00 0.54 -2.00 0.00 0.00 178.31 176.91 1gqo n ARG 110 N -3.25 1.92 -0.02 6.09 1.74 -0.26 -4.20 116.66 118.68 1gqo n ARG 110 Ca -0.01 -1.42 0.13 0.00 -0.77 0.00 0.00 57.85 55.78 1gqo n ARG 110 Cb 0.26 -1.33 0.51 0.00 -1.02 0.00 0.00 32.46 30.87 1gqo n ARG 110 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1gqo n HIS 111 N 0.65 0.05 -4.12 -1.55 8.25 -0.29 -4.68 115.22 113.53 1gqo n HIS 111 Ca 0.14 -0.03 -0.15 0.00 -0.26 0.00 0.00 57.72 57.43 1gqo n HIS 111 Cb 0.35 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.95 0.45 -0.16 -0.41 0.00 -1.26 -4.99 119.66 111.34 1gqo s GLN 112 Ca 0.37 -0.38 -0.05 0.00 -0.00 0.00 0.00 55.36 55.31 1gqo s GLN 112 Cb 0.20 -0.36 -0.03 0.00 0.00 0.00 0.00 33.01 32.81 1gqo s GLN 112 CO 0.32 0.09 -0.00 0.45 0.00 0.00 0.00 175.29 176.15 1gqo s SER 113 N -0.61 5.10 0.02 12.60 0.15 -1.26 -4.26 113.70 125.44 1gqo s SER 113 Ca -0.02 -0.04 0.26 0.00 0.70 0.00 0.00 55.95 56.85 1gqo s SER 113 Cb -0.05 -1.82 0.74 0.00 -1.71 0.00 0.00 66.02 63.18 1gqo s SER 113 CO -0.00 0.19 1.59 1.33 1.20 0.00 0.00 173.24 177.54 1gqo n VAL 114 N 3.44 0.05 0.02 4.45 0.24 0.66 -3.99 118.33 123.20 1gqo n VAL 114 Ca -0.17 -0.03 -0.20 0.00 -2.04 0.00 0.00 64.34 61.90 1gqo n VAL 114 Cb 0.52 -0.06 -0.14 0.00 -1.47 0.00 0.00 33.84 32.70 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 0.73 -0.88 1.34 2.04 -1.87 -3.41 117.51 115.46 1gqo h ILE 115 Ca 0.00 -2.44 0.17 0.00 1.00 0.00 0.00 64.86 63.60 1gqo h ILE 115 Cb 0.53 2.56 -0.10 0.00 -0.74 0.00 0.00 36.82 39.06 1gqo h ILE 115 CO 0.00 0.84 0.44 0.00 0.00 0.00 0.00 178.15 179.44 1gqo h ALA 116 N 0.21 1.37 -0.94 1.87 0.00 -1.92 -1.72 119.26 118.13 1gqo h ALA 116 Ca -0.38 0.11 0.23 0.00 0.00 0.00 0.00 54.91 54.86 1gqo h ALA 116 Cb 2.04 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.80 1gqo h ALA 116 CO 0.11 -0.17 0.63 -1.35 0.00 0.00 0.00 179.25 178.47 1gqo h PRO 117 N 0.57 0.33 -0.02 0.00 0.11 -1.80 -2.52 132.00 128.67 1gqo h PRO 117 Ca 0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1gqo h PRO 117 Cb 0.81 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1gqo h PRO 117 CO -0.42 0.22 -0.38 1.33 -0.21 0.00 0.00 178.00 178.55 1gqo n VAL 118 N -4.49 0.00 -2.40 3.15 0.24 -0.66 -4.99 118.33 109.17 1gqo n VAL 118 Ca 0.21 -0.31 -0.25 0.00 -2.04 0.00 0.00 64.34 61.94 1gqo n VAL 118 Cb 0.79 1.28 0.12 0.00 -1.47 0.00 0.00 33.84 34.56 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 -2.27 3.31 0.22 2.33 0.00 -0.95 -4.71 121.76 119.69 1gqo s ALA 119 Ca 0.19 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.59 1gqo s ALA 119 Cb 0.17 -2.23 0.22 0.00 0.00 0.00 0.00 23.12 21.29 1gqo s ALA 119 CO 0.49 -1.68 1.59 0.87 0.00 0.00 0.00 175.76 177.03 1gqo h LYS 120 N -0.80 0.51 0.00 0.00 1.79 -1.36 -3.49 116.57 113.23 1gqo h LYS 120 Ca -0.39 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 57.81 1gqo h LYS 120 Cb 1.26 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1gqo h LYS 120 CO 0.41 0.86 0.00 0.41 -1.08 0.00 0.00 179.45 180.04 1gqo n GLY 121 N 0.03 -1.17 3.22 3.86 0.00 -1.25 -5.08 105.19 104.79 1gqo n GLY 121 Ca -0.02 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.34 0.49 -0.09 1.61 0.74 -1.26 -1.93 119.66 117.88 1gqo s GLN 122 Ca 0.00 0.18 0.02 0.00 0.05 0.00 0.00 55.36 55.61 1gqo s GLN 122 Cb 0.00 0.23 0.01 0.00 1.10 0.00 0.00 33.01 34.35 1gqo s GLN 122 CO 0.00 -0.10 -0.14 0.42 -0.55 0.00 0.00 175.29 174.92 1gqo s ILE 123 N -0.44 1.38 -0.00 -2.34 1.01 -0.48 -4.99 121.20 115.33 1gqo s ILE 123 Ca -0.06 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1gqo s ILE 123 Cb -0.04 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1gqo s ILE 123 CO 0.02 0.41 -0.07 -0.69 0.00 0.00 0.00 174.94 174.61 1gqo s VAL 124 N 0.84 0.56 0.00 2.92 1.01 -1.26 -1.79 120.40 122.69 1gqo s VAL 124 Ca -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1gqo s VAL 124 Cb -0.15 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1gqo s VAL 124 CO 0.01 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1gqo n GLY 125 N 2.85 1.25 1.88 4.51 0.00 -0.91 -4.84 105.19 109.92 1gqo n GLY 125 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 5.68 0.00 0.99 4.77 -1.22 -4.50 117.00 122.72 1gqo n LEU 126 Ca 0.00 -2.92 0.00 0.00 -0.03 0.00 0.00 56.01 53.06 1gqo n LEU 126 Cb 0.00 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 1gqo n LEU 126 CO 0.00 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1gqo n GLY 127 N 0.26 -0.69 0.41 -0.72 0.00 -0.47 -3.61 105.19 100.37 1gqo n GLY 127 Ca 0.32 -1.04 0.22 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.80 2.28 -0.30 4.61 0.00 -1.90 0.29 119.26 123.44 1gqo h ALA 128 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1gqo h ALA 128 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1gqo h ALA 128 CO 0.00 -0.82 0.24 1.49 0.00 0.00 0.00 179.25 180.17 1gqo h GLU 129 N 0.00 0.00 -0.84 0.00 4.57 -1.98 -2.22 114.58 114.11 1gqo h GLU 129 Ca 0.25 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.55 1gqo h GLU 129 Cb 1.34 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.87 1gqo h GLU 129 CO -0.00 0.00 0.54 0.78 -1.18 0.00 0.00 179.01 179.15 1gqo h GLY 130 N 0.00 1.10 1.02 1.92 0.00 -1.02 -0.46 103.07 105.63 1gqo h GLY 130 Ca 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1gqo h GLY 130 CO -0.00 0.13 0.41 -0.97 0.00 0.00 0.00 176.54 176.11 1gqo h TYR 131 N 0.70 1.11 -0.14 5.60 -1.99 -1.59 0.07 116.97 120.72 1gqo h TYR 131 Ca 0.40 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 61.07 1gqo h TYR 131 Cb 0.59 -0.35 -0.00 0.00 2.00 0.00 0.00 36.73 38.97 1gqo h TYR 131 CO -0.00 0.79 -0.02 0.87 -0.00 0.00 0.00 178.16 179.80 1gqo h LYS 132 N 1.10 0.26 -1.00 4.88 1.57 -1.43 -0.63 116.57 121.33 1gqo h LYS 132 Ca 0.27 -0.09 0.08 0.00 -1.87 0.00 0.00 60.65 59.04 1gqo h LYS 132 Cb 0.08 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.30 1gqo h LYS 132 CO -0.04 0.52 0.64 -0.07 -0.57 0.00 0.00 179.45 179.94 1gqo h LEU 133 N -0.02 1.00 -0.47 2.94 3.38 -0.87 0.01 115.31 121.27 1gqo h LEU 133 Ca 0.04 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1gqo h LEU 133 Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1gqo h LEU 133 CO 0.01 0.61 -0.23 0.00 0.09 0.00 0.00 178.44 178.92 1gqo h ALA 134 N 1.48 0.67 -0.18 1.53 0.00 -0.56 -1.44 119.26 120.75 1gqo h ALA 134 Ca 0.45 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1gqo h ALA 134 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1gqo h ALA 134 CO -0.20 0.67 0.09 0.28 0.00 0.00 0.00 179.25 180.09 1gqo h VAL 135 N 0.85 1.13 -0.57 0.00 2.07 -0.22 -2.05 116.25 117.45 1gqo h VAL 135 Ca 0.11 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.30 1gqo h VAL 135 Cb 0.81 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1gqo h VAL 135 CO 0.07 0.12 0.32 0.03 0.02 0.00 0.00 177.57 178.13 1gqo h ARG 136 N 0.17 0.60 -0.30 1.57 3.08 -0.87 -0.88 114.38 117.76 1gqo h ARG 136 Ca 0.06 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1gqo h ARG 136 Cb 0.11 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1gqo h ARG 136 CO -0.01 0.40 0.05 -0.92 -1.07 0.00 0.00 179.97 178.42 1gqo h TYR 137 N 0.62 0.09 -0.77 3.04 3.20 -1.10 -1.87 116.97 120.18 1gqo h TYR 137 Ca 0.25 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.20 1gqo h TYR 137 Cb 0.10 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 1gqo h TYR 137 CO -0.08 0.01 0.46 -0.07 -1.64 0.00 0.00 178.16 176.84 1gqo h LEU 138 N 0.16 0.71 -0.33 2.82 4.07 -0.56 -2.47 115.31 119.70 1gqo h LEU 138 Ca 0.14 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 1gqo h LEU 138 Cb 0.15 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 1gqo h LEU 138 CO -0.19 0.45 0.17 -0.07 -1.08 0.00 0.00 178.44 177.72 1gqo h LEU 139 N 0.84 0.42 -0.58 1.67 3.38 -0.85 -2.97 115.31 117.22 1gqo h LEU 139 Ca 0.34 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1gqo h LEU 139 Cb 0.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1gqo h LEU 139 CO -0.18 0.40 0.00 -1.54 0.09 0.00 0.00 178.44 177.22 1gqo n SER 140 N -4.78 0.23 -0.86 -0.43 3.41 -0.74 -5.12 113.62 105.34 1gqo n SER 140 Ca -0.01 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 1gqo n SER 140 Cb 0.09 -0.63 0.19 0.00 -0.26 0.00 0.00 64.21 63.60 1gqo n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88