#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 1.87 0.10 0.54 2.46 -1.25 0.22 115.29 119.23 1gqo s HIS 2 Ca 0.00 -0.83 0.09 0.00 0.47 0.00 0.00 55.06 54.79 1gqo s HIS 2 Cb 0.00 -1.35 -0.04 0.00 -0.13 0.00 0.00 32.58 31.06 1gqo s HIS 2 CO 0.00 -0.42 -0.22 -0.06 -2.47 0.00 0.00 174.74 171.57 1gqo s PHE 3 N 0.87 1.90 -0.13 3.88 2.99 -0.08 -0.95 117.98 126.45 1gqo s PHE 3 Ca -0.09 -0.41 -0.16 0.00 0.00 0.00 0.00 56.93 56.27 1gqo s PHE 3 Cb -0.15 -1.04 -0.05 0.00 0.00 0.00 0.00 43.02 41.78 1gqo s PHE 3 CO 0.01 0.22 0.38 -1.17 -0.00 0.00 0.00 175.22 174.66 1gqo s LEU 4 N -1.89 4.28 -0.49 -0.37 0.20 -0.85 -1.89 118.68 117.66 1gqo s LEU 4 Ca 0.08 0.68 -0.15 0.00 0.69 0.00 0.00 54.13 55.44 1gqo s LEU 4 Cb -0.10 -2.53 0.10 0.00 -0.43 0.00 0.00 46.19 43.23 1gqo s LEU 4 CO 0.04 0.08 0.42 -0.63 -0.29 0.00 0.00 176.35 175.97 1gqo s ILE 5 N 0.39 5.04 -0.23 6.68 -1.09 -0.05 -1.45 121.20 130.48 1gqo s ILE 5 Ca 0.21 -1.33 -0.05 0.00 -2.23 0.00 0.00 60.65 57.25 1gqo s ILE 5 Cb -0.14 -4.13 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 1gqo s ILE 5 CO 0.07 -0.70 0.01 -0.22 -1.23 0.00 0.00 174.94 172.87 1gqo s LEU 6 N 1.58 3.17 -0.07 2.97 0.20 -0.05 -1.80 118.68 124.69 1gqo s LEU 6 Ca 0.04 -0.29 0.04 0.00 0.69 0.00 0.00 54.13 54.61 1gqo s LEU 6 Cb -0.27 -1.83 -0.02 0.00 -0.43 0.00 0.00 46.19 43.65 1gqo s LEU 6 CO 0.04 -0.01 -0.19 0.20 -0.29 0.00 0.00 176.35 176.10 1gqo s ASN 7 N 1.46 3.60 0.46 3.68 0.01 -0.00 -1.43 114.94 122.72 1gqo s ASN 7 Ca 0.05 -0.36 -0.00 0.00 -0.71 0.00 0.00 52.86 51.84 1gqo s ASN 7 Cb -0.15 -0.99 0.00 0.00 0.41 0.00 0.00 41.25 40.53 1gqo s ASN 7 CO 0.00 0.27 0.02 0.61 -1.51 0.00 0.00 177.10 176.48 1gqo n GLY 8 N 2.83 0.54 3.70 0.66 0.00 0.23 -1.90 105.19 111.25 1gqo n GLY 8 Ca -0.17 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.03 2.13 -0.28 1.61 -0.04 -0.95 -2.78 135.00 133.66 1gqo n PRO 9 Ca 0.00 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 1gqo n PRO 9 Cb 0.01 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 1gqo n PRO 9 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1gqo n ASN 10 N 0.70 0.00 0.22 3.54 3.02 -1.26 -4.51 115.26 116.96 1gqo n ASN 10 Ca 0.05 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.67 1gqo n ASN 10 Cb 0.36 -1.07 0.50 0.00 -0.61 0.00 0.00 39.78 38.97 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 0.87 0.00 2.41 2.07 -1.90 -1.29 116.25 118.41 1gqo h VAL 11 Ca 0.00 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1gqo h VAL 11 Cb 0.00 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1gqo h VAL 11 CO 0.00 0.25 -0.06 -0.55 0.02 0.00 0.00 177.57 177.23 1gqo h ASN 12 N 0.00 0.00 -0.15 0.57 -1.07 -1.88 -2.89 115.58 110.17 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 0.58 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.83 1gqo h ASN 12 CO 0.03 0.06 0.00 0.54 0.07 0.00 0.00 177.43 178.13 1gqo n ARG 13 N -3.34 1.58 -1.54 4.14 5.12 -0.48 -4.64 116.66 117.51 1gqo n ARG 13 Ca -0.01 -0.88 -0.57 0.00 -1.93 0.00 0.00 57.85 54.46 1gqo n ARG 13 Cb 0.22 -1.35 -0.08 0.00 -1.16 0.00 0.00 32.46 30.09 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 0.11 1.89 0.00 0.55 4.32 -1.09 -2.93 117.00 119.85 1gqo n LEU 14 Ca 0.15 0.79 0.00 0.00 -0.02 0.00 0.00 56.01 56.93 1gqo n LEU 14 Cb 0.27 -1.11 0.00 0.00 -1.62 0.00 0.00 43.42 40.95 1gqo n LEU 14 CO 0.12 -0.62 0.00 0.61 -1.22 0.00 0.00 177.39 176.27 1gqo n GLY 15 N 5.61 2.20 1.20 -0.72 0.00 -1.26 -4.28 105.19 107.94 1gqo n GLY 15 Ca 0.37 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.40 1gqo n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gqo n SER 16 N 0.00 3.17 0.00 1.61 7.64 -1.15 -4.81 113.62 120.09 1gqo n SER 16 Ca 0.00 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.41 1gqo n SER 16 Cb 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1gqo n SER 16 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1gqo n ARG 17 N 0.19 0.00 -3.17 1.43 1.85 -1.26 -5.12 116.66 110.58 1gqo n ARG 17 Ca 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 57.00 1gqo n ARG 17 Cb 0.74 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 32.15 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 -0.15 -0.44 0.18 2.89 0.28 -1.26 -4.88 120.64 117.26 1gqo n GLU 18 Ca 0.00 0.85 0.12 0.00 -0.16 0.00 0.00 57.16 57.97 1gqo n GLU 18 Cb 0.00 -0.98 0.12 0.00 1.43 0.00 0.00 31.44 32.01 1gqo n GLU 18 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1gqo h PRO 19 N 3.82 0.00 0.00 3.44 0.13 -1.93 -2.94 132.00 134.53 1gqo h PRO 19 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1gqo h PRO 19 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1gqo h PRO 19 CO 0.00 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 178.82 1gqo h GLU 20 N 0.00 0.00 0.00 0.86 -0.00 -1.91 -1.65 114.58 111.88 1gqo h GLU 20 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 59.36 59.11 1gqo h GLU 20 Cb 0.99 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.70 1gqo h GLU 20 CO 0.00 0.00 -1.90 0.28 -0.00 0.00 0.00 179.01 177.39 1gqo n VAL 21 N -2.97 0.90 -0.09 -1.06 0.31 -1.22 -4.86 118.33 109.33 1gqo n VAL 21 Ca 0.02 -0.31 -0.13 0.00 -0.01 0.00 0.00 64.34 63.91 1gqo n VAL 21 Cb 0.38 -1.23 -0.09 0.00 -0.91 0.00 0.00 33.84 31.99 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 -3.16 0.00 0.00 3.52 3.01 -1.11 -4.13 117.46 115.59 1gqo n PHE 22 Ca -0.29 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.17 1gqo n PHE 22 Cb 0.78 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 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 2.60 -0.99 0.00 1.37 0.00 -0.62 -4.75 105.19 102.80 1gqo n GLY 23 Ca -0.33 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.00 -1.41 1.61 5.12 -1.26 -4.70 116.66 116.02 1gqo n ARG 24 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 1gqo n ARG 24 Cb 0.00 0.00 0.08 0.00 -1.16 0.00 0.00 32.46 31.38 1gqo n ARG 24 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1gqo s GLN 25 N 0.00 2.46 0.55 5.56 -2.07 -1.26 -4.89 119.66 120.01 1gqo s GLN 25 Ca 0.00 1.01 0.08 0.00 -1.82 0.00 0.00 55.36 54.62 1gqo s GLN 25 Cb 0.00 -1.93 0.06 0.00 -1.09 0.00 0.00 33.01 30.04 1gqo s GLN 25 CO 0.00 -1.46 0.58 0.95 -1.32 0.00 0.00 175.29 174.04 1gqo s THR 26 N -2.99 1.96 0.21 3.63 -4.23 -1.26 -4.02 115.64 108.94 1gqo s THR 26 Ca 0.60 -1.25 -0.06 0.00 -1.18 0.00 0.00 61.69 59.79 1gqo s THR 26 Cb -0.16 -2.21 0.09 0.00 1.34 0.00 0.00 72.50 71.56 1gqo s THR 26 CO 0.56 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.57 1gqo h LEU 27 N 0.51 0.95 -0.44 4.79 5.85 -1.82 -2.34 115.31 122.81 1gqo h LEU 27 Ca -0.34 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.12 1gqo h LEU 27 Cb 1.29 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1gqo h LEU 27 CO 0.50 1.00 0.27 0.74 -0.34 0.00 0.00 178.44 180.60 1gqo h THR 28 N 0.90 1.14 -0.05 1.05 2.02 -1.95 0.12 112.91 116.13 1gqo h THR 28 Ca 0.17 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1gqo h THR 28 Cb 0.52 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 1gqo h THR 28 CO 0.03 0.14 -0.37 0.44 0.37 0.00 0.00 175.52 176.12 1gqo h ASP 29 N 0.58 -1.14 -0.69 4.18 3.32 -1.90 -0.29 116.42 120.48 1gqo h ASP 29 Ca 0.16 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 1gqo h ASP 29 Cb -0.01 0.46 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1gqo h ASP 29 CO -0.03 -0.41 0.42 0.40 -1.72 0.00 0.00 179.24 177.89 1gqo h ILE 30 N -0.50 1.20 -0.49 0.35 2.04 -0.85 -1.64 117.51 117.62 1gqo h ILE 30 Ca 0.07 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1gqo h ILE 30 Cb 0.60 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1gqo h ILE 30 CO -0.33 0.21 0.11 -0.33 0.00 0.00 0.00 178.15 177.81 1gqo h GLU 31 N 0.96 0.79 -0.21 2.37 5.08 0.08 -1.76 114.58 121.89 1gqo h GLU 31 Ca 0.25 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1gqo h GLU 31 Cb -0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1gqo h GLU 31 CO -0.05 0.78 0.11 1.15 -1.00 0.00 0.00 179.01 180.00 1gqo h THR 32 N 0.68 1.00 -0.88 1.13 2.02 -0.30 0.15 112.91 116.71 1gqo h THR 32 Ca 0.15 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1gqo h THR 32 Cb 0.35 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1gqo h THR 32 CO 0.00 0.04 0.57 0.44 0.37 0.00 0.00 175.52 176.95 1gqo h ASP 33 N 0.23 1.02 -0.38 4.18 3.32 -1.22 -2.08 116.42 121.49 1gqo h ASP 33 Ca 0.09 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1gqo h ASP 33 Cb 0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1gqo h ASP 33 CO -0.06 0.75 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.13 1gqo h LEU 34 N 1.19 0.66 -0.14 1.55 3.38 -0.89 -0.33 115.31 120.75 1gqo h LEU 34 Ca 0.32 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1gqo h LEU 34 Cb -0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1gqo h LEU 34 CO -0.07 0.82 -0.10 0.15 0.09 0.00 0.00 178.44 179.33 1gqo h PHE 35 N 0.49 -0.25 -0.89 1.13 3.57 -0.41 0.36 116.94 120.95 1gqo h PHE 35 Ca 0.11 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1gqo h PHE 35 Cb 0.48 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 1gqo h PHE 35 CO 0.04 -0.16 0.58 1.96 -2.23 0.00 0.00 178.31 178.51 1gqo h GLN 36 N -0.11 1.12 -0.35 1.11 4.20 -1.21 -0.47 115.11 119.40 1gqo h GLN 36 Ca 0.09 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 1gqo h GLN 36 Cb 0.24 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1gqo h GLN 36 CO -0.20 0.74 -0.25 0.35 -0.67 0.00 0.00 178.83 178.79 1gqo h PHE 37 N 1.15 0.79 0.19 2.96 3.57 -0.66 -1.16 116.94 123.78 1gqo h PHE 37 Ca 0.34 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1gqo h PHE 37 Cb -0.05 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 1gqo h PHE 37 CO -0.00 0.88 -0.33 0.00 -2.23 0.00 0.00 178.31 176.63 1gqo h ALA 38 N 1.12 -0.61 -0.26 2.41 0.00 0.13 -2.71 119.26 119.34 1gqo h ALA 38 Ca 0.08 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1gqo h ALA 38 Cb 0.74 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1gqo h ALA 38 CO 0.06 -0.89 -0.11 0.93 0.00 0.00 0.00 179.25 179.23 1gqo h GLU 39 N -0.60 -0.07 -0.67 0.00 3.07 -0.84 0.47 114.58 115.95 1gqo h GLU 39 Ca 0.01 0.01 0.19 0.00 -0.50 0.00 0.00 59.36 59.07 1gqo h GLU 39 Cb 0.60 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 1gqo h GLU 39 CO -0.15 -0.05 0.56 0.00 -1.40 0.00 0.00 179.01 177.97 1gqo h ALA 40 N 1.14 2.52 -0.10 3.43 0.00 -0.92 0.64 119.26 125.98 1gqo h ALA 40 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1gqo h ALA 40 Cb 0.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1gqo h ALA 40 CO -0.31 -0.90 0.00 1.47 0.00 0.00 0.00 179.25 179.51 1gqo n LEU 41 N -4.02 2.06 -2.99 0.00 -0.00 -0.84 -5.01 117.00 106.21 1gqo n LEU 41 Ca 0.13 -1.70 -0.17 0.00 -0.00 0.00 0.00 56.01 54.27 1gqo n LEU 41 Cb 0.81 -0.06 0.07 0.00 -0.00 0.00 0.00 43.42 44.23 1gqo n LEU 41 CO 0.33 0.50 0.16 1.41 -0.00 0.00 0.00 177.39 179.80 1gqo n HIS 42 N 0.01 -2.15 -4.39 1.47 8.25 0.22 -5.03 115.22 113.59 1gqo n HIS 42 Ca 0.04 0.80 -0.27 0.00 -0.26 0.00 0.00 57.72 58.03 1gqo n HIS 42 Cb 0.26 -4.35 -0.12 0.00 1.12 0.00 0.00 29.99 26.89 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 -3.27 2.23 0.07 1.59 -4.36 -0.42 -4.48 121.20 112.56 1gqo s ILE 43 Ca 0.31 -1.86 -0.06 0.00 -0.26 0.00 0.00 60.65 58.78 1gqo s ILE 43 Cb -0.14 -2.01 -0.05 0.00 1.25 0.00 0.00 42.46 41.51 1gqo s ILE 43 CO 0.59 -0.03 0.32 -1.10 0.24 0.00 0.00 174.94 174.96 1gqo s GLN 44 N -2.34 3.62 0.02 0.37 -0.21 0.13 -4.15 119.66 117.10 1gqo s GLN 44 Ca 0.16 -0.06 0.04 0.00 0.02 0.00 0.00 55.36 55.52 1gqo s GLN 44 Cb -0.09 -2.99 -0.01 0.00 1.00 0.00 0.00 33.01 30.91 1gqo s GLN 44 CO 0.07 0.57 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.20 1gqo s LEU 45 N -2.11 2.11 -0.04 2.90 1.43 -1.26 -0.91 118.68 120.79 1gqo s LEU 45 Ca 0.33 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 1gqo s LEU 45 Cb -0.13 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 1gqo s LEU 45 CO 0.20 0.05 -0.24 -0.89 0.23 0.00 0.00 176.35 175.70 1gqo s THR 46 N -0.60 2.16 -0.01 5.49 2.01 -0.79 -4.94 115.64 118.96 1gqo s THR 46 Ca 0.01 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 60.99 1gqo s THR 46 Cb -0.06 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1gqo s THR 46 CO 0.00 0.58 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.10 1gqo s PHE 47 N -0.39 2.95 -0.18 4.92 0.40 -1.26 -0.87 117.98 123.55 1gqo s PHE 47 Ca 0.03 0.01 -0.08 0.00 -0.60 0.00 0.00 56.93 56.29 1gqo s PHE 47 Cb -0.12 -1.64 0.07 0.00 0.51 0.00 0.00 43.02 41.84 1gqo s PHE 47 CO 0.01 0.40 0.40 0.12 0.70 0.00 0.00 175.22 176.85 1gqo s PHE 48 N -1.00 -0.66 -0.04 0.36 5.36 -0.74 -4.97 117.98 116.29 1gqo s PHE 48 Ca 0.17 1.35 0.06 0.00 -0.96 0.00 0.00 56.93 57.55 1gqo s PHE 48 Cb -0.11 0.26 -0.02 0.00 -0.34 0.00 0.00 43.02 42.80 1gqo s PHE 48 CO 0.08 -0.40 -0.20 -1.14 -1.46 0.00 0.00 175.22 172.10 1gqo s GLN 49 N 1.93 2.34 -0.02 10.12 -0.44 -1.26 -0.82 119.66 131.50 1gqo s GLN 49 Ca -0.06 -0.81 -0.24 0.00 -2.50 0.00 0.00 55.36 51.75 1gqo s GLN 49 Cb -0.10 -2.22 0.05 0.00 -1.64 0.00 0.00 33.01 29.10 1gqo s GLN 49 CO -0.12 0.58 0.53 0.45 0.50 0.00 0.00 175.29 177.23 1gqo s SER 50 N -0.64 -0.47 0.00 6.67 0.15 -0.80 -4.97 113.70 113.65 1gqo s SER 50 Ca 0.10 0.42 0.27 0.00 0.70 0.00 0.00 55.95 57.44 1gqo s SER 50 Cb -0.11 0.46 0.82 0.00 -1.71 0.00 0.00 66.02 65.48 1gqo s SER 50 CO -0.00 -0.57 1.60 0.59 1.20 0.00 0.00 173.24 176.06 1gqo n ASN 51 N 0.96 1.10 -4.67 5.45 3.02 -1.26 -2.25 115.26 117.61 1gqo n ASN 51 Ca -0.20 -0.99 -0.36 0.00 -0.03 0.00 0.00 54.58 53.00 1gqo n ASN 51 Cb 0.57 0.11 -0.09 0.00 -0.61 0.00 0.00 39.78 39.76 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 -2.41 3.33 0.15 3.10 3.76 -1.26 -4.64 115.29 117.32 1gqo s HIS 52 Ca 0.27 0.25 -0.22 0.00 -0.15 0.00 0.00 55.06 55.21 1gqo s HIS 52 Cb 0.20 -2.26 0.03 0.00 1.11 0.00 0.00 32.58 31.66 1gqo s HIS 52 CO 0.49 0.10 1.63 1.49 -0.85 0.00 0.00 174.74 177.60 1gqo h GLU 53 N 7.37 -0.23 -0.95 1.40 4.81 -2.01 -2.68 114.58 122.30 1gqo h GLU 53 Ca -0.38 0.02 0.22 0.00 -0.13 0.00 0.00 59.36 59.09 1gqo h GLU 53 Cb 1.17 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.48 1gqo h GLU 53 CO 0.67 -0.15 0.51 0.78 -0.73 0.00 0.00 179.01 180.09 1gqo h GLY 54 N -0.24 1.72 1.12 1.92 0.00 -1.99 -1.90 103.07 103.72 1gqo h GLY 54 Ca 0.14 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 1gqo h GLY 54 CO -0.40 -0.23 0.08 -0.55 0.00 0.00 0.00 176.54 175.44 1gqo h ASP 55 N 0.53 1.03 -0.37 0.19 3.32 -1.90 0.47 116.42 119.68 1gqo h ASP 55 Ca 0.60 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 57.24 1gqo h ASP 55 Cb 1.10 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1gqo h ASP 55 CO -0.48 1.03 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.67 1gqo h LEU 56 N 0.99 0.96 -0.36 1.55 3.38 -1.37 -1.07 115.31 119.39 1gqo h LEU 56 Ca 0.19 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1gqo h LEU 56 Cb 0.46 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1gqo h LEU 56 CO 0.02 1.19 0.18 0.40 0.09 0.00 0.00 178.44 180.32 1gqo h ILE 57 N 0.76 1.16 -0.49 1.22 2.04 -1.07 0.07 117.51 121.19 1gqo h ILE 57 Ca 0.08 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1gqo h ILE 57 Cb 0.91 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1gqo h ILE 57 CO 0.08 0.16 0.32 0.44 0.00 0.00 0.00 178.15 179.16 1gqo h ASP 58 N 0.44 0.56 -0.96 1.72 3.32 -0.88 -2.09 116.42 118.54 1gqo h ASP 58 Ca 0.12 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1gqo h ASP 58 Cb 0.09 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 1gqo h ASP 58 CO -0.02 0.40 0.62 0.00 -1.72 0.00 0.00 179.24 178.53 1gqo h ALA 59 N 1.18 1.30 -0.22 3.45 0.00 -0.92 -1.74 119.26 122.31 1gqo h ALA 59 Ca 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1gqo h ALA 59 Cb -0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 1gqo h ALA 59 CO -0.04 0.64 0.06 0.82 0.00 0.00 0.00 179.25 180.73 1gqo h ILE 60 N 1.30 1.20 -0.62 0.00 2.04 -0.65 0.17 117.51 120.95 1gqo h ILE 60 Ca 0.35 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1gqo h ILE 60 Cb -0.14 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1gqo h ILE 60 CO -0.07 0.20 0.35 0.45 0.00 0.00 0.00 178.15 179.08 1gqo h HIS 61 N 0.19 0.65 0.00 1.37 3.86 -1.12 -2.22 115.15 117.88 1gqo h HIS 61 Ca 0.07 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1gqo h HIS 61 Cb 0.25 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1gqo h HIS 61 CO 0.01 0.34 0.00 0.93 0.86 0.00 0.00 177.93 180.06 1gqo h GLU 62 N 0.67 0.00 -0.33 2.45 5.08 -1.14 -3.34 114.58 117.98 1gqo h GLU 62 Ca 0.27 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1gqo h GLU 62 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1gqo h GLU 62 CO -0.15 0.00 0.03 0.00 -1.00 0.00 0.00 179.01 177.89 1gqo h ALA 63 N 2.07 1.44 -0.95 3.43 0.00 -0.01 -3.13 119.26 122.11 1gqo h ALA 63 Ca 0.00 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 54.98 1gqo h ALA 63 Cb 0.66 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1gqo h ALA 63 CO 0.00 0.40 0.64 1.49 0.00 0.00 0.00 179.25 181.78 1gqo h GLU 64 N 0.48 0.28 -0.28 0.00 4.57 -1.70 0.83 114.58 118.76 1gqo h GLU 64 Ca 0.11 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1gqo h GLU 64 Cb 0.27 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1gqo h GLU 64 CO 0.01 0.18 0.00 0.39 -1.18 0.00 0.00 179.01 178.41 1gqo n GLU 65 N -4.46 2.26 0.00 1.92 1.02 -1.18 -4.58 120.64 115.62 1gqo n GLU 65 Ca 0.21 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 1gqo n GLU 65 Cb 0.84 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 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 1.92 -4.41 3.49 7.27 -0.41 -5.12 117.38 121.26 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 -0.58 -0.09 0.00 2.41 0.00 0.00 30.24 32.50 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 -0.92 2.54 -1.36 3.69 1.51 0.15 -4.93 117.35 118.03 1gqo s TYR 67 Ca 0.00 -0.58 0.14 0.00 -1.01 0.00 0.00 57.07 55.62 1gqo s TYR 67 Cb 0.00 -1.72 0.29 0.00 -0.11 0.00 0.00 41.96 40.42 1gqo s TYR 67 CO 0.00 0.40 1.19 -1.13 -1.11 0.00 0.00 175.55 174.90 1gqo n SER 68 N -1.02 2.83 0.00 2.29 3.41 -0.13 -4.71 113.62 116.28 1gqo n SER 68 Ca -0.04 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 1gqo n SER 68 Cb 0.65 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.78 0.89 3.14 5.00 0.00 -1.26 -4.47 105.19 109.28 1gqo n GLY 69 Ca 0.12 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 1gqo n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqo s ILE 70 N -2.00 1.32 -0.32 -0.61 1.01 -0.72 -2.01 121.20 117.87 1gqo s ILE 70 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 1gqo s ILE 70 Cb 0.00 -1.11 0.03 0.00 0.01 0.00 0.00 42.46 41.39 1gqo s ILE 70 CO 0.00 0.38 0.09 -0.69 0.00 0.00 0.00 174.94 174.71 1gqo s VAL 71 N -0.27 3.81 -0.17 2.92 1.01 -0.53 -1.76 120.40 125.42 1gqo s VAL 71 Ca 0.04 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1gqo s VAL 71 Cb -0.08 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1gqo s VAL 71 CO 0.00 -0.07 -0.14 -0.22 0.00 0.00 0.00 175.10 174.67 1gqo s LEU 72 N 1.43 2.49 -0.46 3.92 2.96 -0.37 -0.87 118.68 127.78 1gqo s LEU 72 Ca -0.00 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 1gqo s LEU 72 Cb -0.19 -1.58 0.12 0.00 0.50 0.00 0.00 46.19 45.05 1gqo s LEU 72 CO 0.02 0.05 0.20 0.21 -1.32 0.00 0.00 176.35 175.52 1gqo s ASN 73 N 1.00 4.36 0.00 3.68 3.84 -0.51 -0.99 114.94 126.33 1gqo s ASN 73 Ca -0.02 -2.74 0.31 0.00 0.21 0.00 0.00 52.86 50.61 1gqo s ASN 73 Cb -0.15 -1.57 1.59 0.00 -0.55 0.00 0.00 41.25 40.58 1gqo s ASN 73 CO -0.03 -0.27 2.06 -0.81 -2.79 0.00 0.00 177.10 175.26 1gqo n PRO 74 N 3.46 0.97 0.00 0.43 -0.04 -1.26 0.78 135.00 139.34 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 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 1.12 0.53 0.00 0.55 0.00 -1.26 -2.89 105.19 103.23 1gqo n GLY 75 Ca 0.20 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1gqo n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqo n ALA 76 N 4.04 1.04 0.24 4.61 0.00 -1.26 -1.76 120.51 127.43 1gqo n ALA 76 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1gqo n ALA 76 Cb 0.00 -0.94 0.57 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.00 0.00 3.38 -1.90 -2.32 115.31 113.47 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 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.66 1gqo h LEU 77 CO 0.00 0.16 0.57 -1.28 0.09 0.00 0.00 178.44 177.98 1gqo h SER 78 N 0.00 0.57 0.25 -0.43 0.87 -1.52 -2.07 113.55 111.22 1gqo h SER 78 Ca -0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1gqo h SER 78 Cb 0.60 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1gqo h SER 78 CO 0.02 -0.03 -0.10 1.41 -0.53 0.00 0.00 176.83 177.60 1gqo n HIS 79 N -4.98 0.00 -0.70 2.24 8.25 -0.87 -0.51 115.22 118.65 1gqo n HIS 79 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1gqo n HIS 79 Cb 0.86 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.84 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 -0.75 0.00 -2.67 4.41 0.18 -1.00 -4.72 117.16 112.61 1gqo n TYR 80 Ca 0.16 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.51 1gqo n TYR 80 Cb 0.28 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.24 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 6.79 0.53 9.48 0.15 -0.81 -4.77 113.70 125.07 1gqo s SER 81 Ca 0.00 -2.30 0.27 0.00 0.70 0.00 0.00 55.95 54.62 1gqo s SER 81 Cb 0.00 -2.53 1.48 0.00 -1.71 0.00 0.00 66.02 63.26 1gqo s SER 81 CO 0.00 -1.16 2.10 1.88 1.20 0.00 0.00 173.24 177.26 1gqo h TYR 82 N 8.09 0.00 -0.92 3.44 -1.99 -1.91 -2.35 116.97 121.32 1gqo h TYR 82 Ca 0.35 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.08 1gqo h TYR 82 Cb 0.91 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.60 1gqo h TYR 82 CO 1.32 0.10 0.59 0.00 -0.00 0.00 0.00 178.16 180.17 1gqo h ALA 83 N 1.90 1.31 -0.09 3.88 0.00 -1.98 -1.54 119.26 122.73 1gqo h ALA 83 Ca -0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1gqo h ALA 83 Cb 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1gqo h ALA 83 CO 0.01 0.63 -0.68 0.82 0.00 0.00 0.00 179.25 180.03 1gqo h ILE 84 N 1.26 1.38 0.14 0.00 2.04 -1.86 -2.64 117.51 117.83 1gqo h ILE 84 Ca 0.34 -2.07 0.01 0.00 1.00 0.00 0.00 64.86 64.13 1gqo h ILE 84 Cb -0.12 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1gqo h ILE 84 CO -0.07 0.62 -0.17 -0.09 0.00 0.00 0.00 178.15 178.44 1gqo h ARG 85 N 0.26 -0.34 -0.05 2.37 2.43 -1.11 -1.30 114.38 116.64 1gqo h ARG 85 Ca -0.02 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1gqo h ARG 85 Cb 1.23 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1gqo h ARG 85 CO 0.11 -0.23 -0.06 -0.44 -1.51 0.00 0.00 179.97 177.85 1gqo h ASP 86 N -0.36 0.07 0.03 -3.80 3.32 -1.21 -1.64 116.42 112.83 1gqo h ASP 86 Ca 0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1gqo h ASP 86 Cb 0.35 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1gqo h ASP 86 CO -0.06 0.14 -0.02 0.00 -1.72 0.00 0.00 179.24 177.58 1gqo h ALA 87 N 1.87 -0.05 -0.77 3.45 0.00 -0.99 -1.65 119.26 121.12 1gqo h ALA 87 Ca 0.02 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1gqo h ALA 87 Cb 0.15 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1gqo h ALA 87 CO 0.01 -0.44 0.47 0.28 0.00 0.00 0.00 179.25 179.57 1gqo h VAL 88 N -0.22 1.05 0.00 0.00 2.07 -1.02 -2.08 116.25 116.05 1gqo h VAL 88 Ca -0.00 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1gqo h VAL 88 Cb 0.20 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1gqo h VAL 88 CO 0.01 0.16 -0.27 0.28 0.02 0.00 0.00 177.57 177.77 1gqo h SER 89 N 0.88 0.00 -0.05 0.57 0.02 -0.93 -2.95 113.55 111.09 1gqo h SER 89 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1gqo h SER 89 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1gqo h SER 89 CO -0.15 0.27 0.00 -1.54 -1.14 0.00 0.00 176.83 174.27 1gqo n SER 90 N -4.05 0.84 -4.53 3.07 3.41 -0.66 -4.89 113.62 106.81 1gqo n SER 90 Ca -0.02 -1.44 -0.24 0.00 -0.26 0.00 0.00 58.87 56.91 1gqo n SER 90 Cb 0.33 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.94 2.84 -0.86 -1.33 -4.36 -1.12 -5.04 121.20 109.40 1gqo s ILE 91 Ca 0.35 -2.12 0.26 0.00 -0.26 0.00 0.00 60.65 58.88 1gqo s ILE 91 Cb 0.18 -2.48 0.08 0.00 1.25 0.00 0.00 42.46 41.49 1gqo s ILE 91 CO 0.29 -0.32 1.51 -1.54 0.24 0.00 0.00 174.94 175.11 1gqo n SER 92 N -0.52 0.49 -4.81 4.36 3.41 -1.26 -4.93 113.62 110.37 1gqo n SER 92 Ca -0.07 0.07 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1gqo n SER 92 Cb 0.59 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.48 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 -3.51 3.99 0.08 1.04 1.43 -1.26 -5.01 118.68 115.43 1gqo s LEU 93 Ca 0.10 1.77 -0.31 0.00 -1.03 0.00 0.00 54.13 54.66 1gqo s LEU 93 Cb 0.16 -4.46 -0.07 0.00 0.03 0.00 0.00 46.19 41.85 1gqo s LEU 93 CO 0.67 -0.40 1.45 -2.16 0.23 0.00 0.00 176.35 176.14 1gqo s PRO 94 N -3.01 4.28 0.06 1.29 0.04 -1.26 -4.90 135.00 131.50 1gqo s PRO 94 Ca 0.61 2.11 0.08 0.00 0.04 0.00 0.00 61.00 63.83 1gqo s PRO 94 Cb -0.12 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 1gqo s PRO 94 CO 0.16 -0.54 -0.18 0.08 0.04 0.00 0.00 177.00 176.56 1gqo s VAL 95 N 1.76 2.78 -0.11 -0.36 1.01 -1.26 -1.75 120.40 122.47 1gqo s VAL 95 Ca 0.66 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1gqo s VAL 95 Cb -0.36 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1gqo s VAL 95 CO 0.29 0.29 -0.12 -0.69 0.00 0.00 0.00 175.10 174.88 1gqo s VAL 96 N -0.97 1.25 0.01 2.92 1.01 -0.72 -0.48 120.40 123.42 1gqo s VAL 96 Ca 0.15 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 1gqo s VAL 96 Cb -0.10 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1gqo s VAL 96 CO 0.06 0.40 0.66 -0.70 0.00 0.00 0.00 175.10 175.52 1gqo s GLU 97 N 1.25 4.39 -0.04 2.72 2.12 -0.56 -1.23 118.70 127.36 1gqo s GLU 97 Ca -0.02 0.86 0.02 0.00 0.36 0.00 0.00 54.97 56.18 1gqo s GLU 97 Cb -0.14 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.90 1gqo s GLU 97 CO -0.04 0.31 -0.07 0.08 -0.54 0.00 0.00 175.26 175.00 1gqo s VAL 98 N -0.06 0.68 -0.06 3.70 1.01 -0.16 -1.51 120.40 124.01 1gqo s VAL 98 Ca 0.34 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1gqo s VAL 98 Cb -0.19 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1gqo s VAL 98 CO 0.19 0.24 -0.17 -1.00 0.00 0.00 0.00 175.10 174.36 1gqo s HIS 99 N 0.53 1.77 -0.05 5.22 3.76 -0.46 -4.30 115.29 121.76 1gqo s HIS 99 Ca -0.08 -0.57 -0.26 0.00 -0.15 0.00 0.00 55.06 54.00 1gqo s HIS 99 Cb -0.11 -1.21 -0.21 0.00 1.11 0.00 0.00 32.58 32.15 1gqo s HIS 99 CO 0.01 -0.22 1.12 -0.07 -0.85 0.00 0.00 174.74 174.73 1gqo h LEU 100 N 6.46 -0.02-10.29 0.89 4.07 -1.86 -2.60 115.31 111.97 1gqo h LEU 100 Ca -0.31 -0.60 -0.50 0.00 0.08 0.00 0.00 57.88 56.56 1gqo h LEU 100 Cb 1.18 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.97 1gqo h LEU 100 CO 0.48 0.60 0.23 -0.94 -1.08 0.00 0.00 178.44 177.72 1gqo s SER 101 N -5.80 6.32 -0.84 -0.43 1.04 -1.26 -2.01 113.70 110.72 1gqo s SER 101 Ca -0.16 1.16 -0.25 0.00 0.48 0.00 0.00 55.95 57.18 1gqo s SER 101 Cb 0.00 -2.35 0.05 0.00 0.10 0.00 0.00 66.02 63.82 1gqo s SER 101 CO 0.66 -0.64 1.30 0.21 0.98 0.00 0.00 173.24 175.75 1gqo s ASN 102 N -3.91 6.31 0.29 7.02 3.84 -1.26 -2.57 114.94 124.65 1gqo s ASN 102 Ca 0.51 -0.95 0.03 0.00 0.21 0.00 0.00 52.86 52.67 1gqo s ASN 102 Cb -0.10 -2.54 0.66 0.00 -0.55 0.00 0.00 41.25 38.71 1gqo s ASN 102 CO 0.45 -1.64 1.77 -0.07 -2.79 0.00 0.00 177.10 174.82 1gqo h LEU 103 N 12.63 0.70 -2.48 3.21 3.38 -1.92 -1.49 115.31 129.34 1gqo h LEU 103 Ca -0.09 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1gqo h LEU 103 Cb 1.04 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1gqo h LEU 103 CO 1.31 0.26 0.00 1.88 0.09 0.00 0.00 178.44 181.99 1gqo h TYR 104 N 0.72 0.00 -0.36 1.13 0.99 -1.89 -1.03 116.97 116.53 1gqo h TYR 104 Ca 0.54 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.27 1gqo h TYR 104 Cb 0.80 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.53 1gqo h TYR 104 CO -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.12 1gqo n ALA 105 N -2.01 2.45 -2.61 3.88 0.00 -0.56 -4.94 120.51 116.71 1gqo n ALA 105 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1gqo n ALA 105 Cb 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1gqo n ALA 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1gqo n ARG 106 N 1.07 3.68 -1.81 0.00 1.74 -0.39 -5.07 116.66 115.89 1gqo n ARG 106 Ca 0.18 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.87 1gqo n ARG 106 Cb 0.49 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.96 1gqo n ARG 106 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1gqo s GLU 107 N 1.94 3.50 0.27 5.56 8.01 -1.26 -4.90 118.70 131.82 1gqo s GLU 107 Ca 0.00 2.34 0.01 0.00 0.01 0.00 0.00 54.97 57.32 1gqo s GLU 107 Cb 0.00 -2.51 0.58 0.00 -4.31 0.00 0.00 34.13 27.89 1gqo s GLU 107 CO 0.00 -0.94 1.76 1.49 0.01 0.00 0.00 175.26 177.59 1gqo h GLU 108 N 2.02 0.63 -0.01 1.61 4.81 -1.96 0.10 114.58 121.79 1gqo h GLU 108 Ca -0.51 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1gqo h GLU 108 Cb 1.28 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1gqo h GLU 108 CO 0.60 0.42 0.02 0.27 -0.73 0.00 0.00 179.01 179.59 1gqo h PHE 109 N 0.65 0.00 -0.00 0.92 -5.15 -1.97 -1.60 116.94 109.79 1gqo h PHE 109 Ca 0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.26 1gqo h PHE 109 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.89 1gqo h PHE 109 CO -0.08 0.00 -0.02 0.54 -2.00 0.00 0.00 178.31 176.75 1gqo n ARG 110 N -3.56 0.91 -0.06 6.09 1.74 0.02 -4.23 116.66 117.56 1gqo n ARG 110 Ca -0.03 -0.17 0.11 0.00 -0.77 0.00 0.00 57.85 56.99 1gqo n ARG 110 Cb 0.10 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.46 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 -0.90 0.17 -4.44 -1.55 8.25 -0.60 -4.70 115.22 111.44 1gqo n HIS 111 Ca 0.19 -0.08 -0.20 0.00 -0.26 0.00 0.00 57.72 57.37 1gqo n HIS 111 Cb 0.20 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.17 1gqo n HIS 111 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1gqo s GLN 112 N -1.83 0.94 -0.17 -0.41 0.74 -1.26 -4.99 119.66 112.67 1gqo s GLN 112 Ca 0.33 -0.57 -0.02 0.00 0.05 0.00 0.00 55.36 55.15 1gqo s GLN 112 Cb 0.17 -0.92 -0.01 0.00 1.10 0.00 0.00 33.01 33.35 1gqo s GLN 112 CO 0.27 0.24 -0.10 0.45 -0.55 0.00 0.00 175.29 175.60 1gqo s SER 113 N -0.67 4.06 0.22 6.67 0.15 -1.26 -4.25 113.70 118.63 1gqo s SER 113 Ca 0.03 -0.38 0.26 0.00 0.70 0.00 0.00 55.95 56.56 1gqo s SER 113 Cb -0.06 -1.66 0.78 0.00 -1.71 0.00 0.00 66.02 63.38 1gqo s SER 113 CO 0.00 0.07 1.77 -0.37 1.20 0.00 0.00 173.24 175.91 1gqo h VAL 114 N 5.58 0.00 0.06 4.45 -1.51 -1.08 -3.35 116.25 120.41 1gqo h VAL 114 Ca -0.35 -0.51 -0.30 0.00 -1.23 0.00 0.00 66.70 64.31 1gqo h VAL 114 Cb 1.18 1.50 -0.03 0.00 -2.13 0.00 0.00 31.29 31.82 1gqo h VAL 114 CO 0.59 0.00 -1.65 0.40 -1.23 0.00 0.00 177.57 175.68 1gqo h ILE 115 N 0.00 0.97 -0.54 7.19 2.04 -1.86 -3.41 117.51 121.89 1gqo h ILE 115 Ca 0.00 -2.72 -0.03 0.00 1.00 0.00 0.00 64.86 63.11 1gqo h ILE 115 Cb 0.75 2.58 -0.03 0.00 -0.74 0.00 0.00 36.82 39.39 1gqo h ILE 115 CO 0.00 0.72 0.21 0.00 0.00 0.00 0.00 178.15 179.08 1gqo h ALA 116 N 0.65 1.36 -0.87 1.87 0.00 -1.92 -2.26 119.26 118.08 1gqo h ALA 116 Ca -0.28 -0.15 0.23 0.00 0.00 0.00 0.00 54.91 54.72 1gqo h ALA 116 Cb 2.00 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 1gqo h ALA 116 CO 0.11 0.48 0.60 -1.35 0.00 0.00 0.00 179.25 179.10 1gqo h PRO 117 N 0.78 0.17 -0.02 0.00 0.11 -1.79 -2.18 132.00 129.06 1gqo h PRO 117 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1gqo h PRO 117 Cb 0.16 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1gqo h PRO 117 CO -0.02 0.11 -0.16 1.33 -0.21 0.00 0.00 178.00 179.06 1gqo n VAL 118 N -4.39 0.00 -2.44 3.15 0.24 -0.86 -4.99 118.33 109.04 1gqo n VAL 118 Ca 0.18 -0.42 -0.25 0.00 -2.04 0.00 0.00 64.34 61.82 1gqo n VAL 118 Cb 0.82 1.29 0.12 0.00 -1.47 0.00 0.00 33.84 34.60 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 -1.70 3.41 0.10 2.33 0.00 -0.82 -4.78 121.76 120.30 1gqo s ALA 119 Ca 0.17 -1.56 -0.14 0.00 0.00 0.00 0.00 51.96 50.43 1gqo s ALA 119 Cb 0.14 -2.19 -0.12 0.00 0.00 0.00 0.00 23.12 20.96 1gqo s ALA 119 CO 0.31 -1.59 1.36 0.87 0.00 0.00 0.00 175.76 176.71 1gqo h LYS 120 N -0.71 0.75 0.00 0.00 1.79 -1.05 -3.48 116.57 113.87 1gqo h LYS 120 Ca -0.39 -0.50 0.04 0.00 -2.18 0.00 0.00 60.65 57.63 1gqo h LYS 120 Cb 1.27 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.98 1gqo h LYS 120 CO 0.42 1.12 0.13 0.41 -1.08 0.00 0.00 179.45 180.45 1gqo n GLY 121 N 0.44 0.92 3.29 3.86 0.00 -1.25 -5.07 105.19 107.39 1gqo n GLY 121 Ca -0.06 -0.92 -0.13 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 -2.01 0.49 -0.08 1.61 0.74 -1.26 -1.49 119.66 117.66 1gqo s GLN 122 Ca 0.05 0.51 0.02 0.00 0.05 0.00 0.00 55.36 55.99 1gqo s GLN 122 Cb -0.00 0.24 0.01 0.00 1.10 0.00 0.00 33.01 34.35 1gqo s GLN 122 CO 0.01 -0.07 -0.15 0.42 -0.55 0.00 0.00 175.29 174.94 1gqo s ILE 123 N 0.09 1.42 -0.04 -2.34 1.01 -0.57 -4.97 121.20 115.81 1gqo s ILE 123 Ca -0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 1gqo s ILE 123 Cb -0.03 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.19 1gqo s ILE 123 CO 0.01 0.42 0.08 -0.69 0.00 0.00 0.00 174.94 174.76 1gqo s VAL 124 N 0.68 -0.04 0.00 2.92 1.01 -1.26 -1.35 120.40 122.36 1gqo s VAL 124 Ca -0.14 0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1gqo s VAL 124 Cb -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1gqo s VAL 124 CO 0.04 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1gqo n GLY 125 N 3.86 0.75 1.41 4.51 0.00 -0.98 -4.86 105.19 109.89 1gqo n GLY 125 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 4.85 0.00 0.99 4.77 -1.19 -4.58 117.00 121.85 1gqo n LEU 126 Ca 0.00 -3.36 0.00 0.00 -0.03 0.00 0.00 56.01 52.62 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 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1gqo n GLY 127 N -0.65 0.93 0.28 -0.72 0.00 -0.85 -3.38 105.19 100.79 1gqo n GLY 127 Ca 0.34 -0.77 0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.87 1.12 -0.74 4.61 0.00 -1.87 -1.05 119.26 120.45 1gqo h ALA 128 Ca 0.00 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.00 1gqo h ALA 128 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1gqo h ALA 128 CO 0.00 0.10 0.50 1.49 0.00 0.00 0.00 179.25 181.34 1gqo h GLU 129 N 0.00 0.28 -0.93 0.00 4.57 -1.99 -1.47 114.58 115.05 1gqo h GLU 129 Ca -0.00 -0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.30 1gqo h GLU 129 Cb 0.38 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.83 1gqo h GLU 129 CO 0.01 0.19 0.59 0.78 -1.18 0.00 0.00 179.01 179.40 1gqo h GLY 130 N 0.29 1.37 0.54 1.92 0.00 -1.20 0.68 103.07 106.68 1gqo h GLY 130 Ca 0.36 -0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.43 1gqo h GLY 130 CO -0.09 0.11 0.31 -0.97 0.00 0.00 0.00 176.54 175.90 1gqo h TYR 131 N 0.80 0.55 -0.28 5.60 -1.99 -1.45 0.18 116.97 120.37 1gqo h TYR 131 Ca 0.47 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 61.17 1gqo h TYR 131 Cb 0.64 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 1gqo h TYR 131 CO -0.00 0.21 -0.04 0.87 -0.00 0.00 0.00 178.16 179.21 1gqo h LYS 132 N 0.55 0.53 -0.85 4.88 1.57 -1.20 -1.25 116.57 120.79 1gqo h LYS 132 Ca 0.31 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1gqo h LYS 132 Cb 0.29 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 1gqo h LYS 132 CO -0.24 0.71 0.56 -0.07 -0.57 0.00 0.00 179.45 179.83 1gqo h LEU 133 N 0.30 0.94 -0.82 2.94 3.38 -0.64 0.22 115.31 121.64 1gqo h LEU 133 Ca 0.08 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1gqo h LEU 133 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1gqo h LEU 133 CO 0.02 0.67 -0.02 0.00 0.09 0.00 0.00 178.44 179.20 1gqo h ALA 134 N 1.33 1.01 -0.47 1.53 0.00 -0.44 -1.64 119.26 120.58 1gqo h ALA 134 Ca 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1gqo h ALA 134 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1gqo h ALA 134 CO -0.09 0.61 0.13 0.28 0.00 0.00 0.00 179.25 180.17 1gqo h VAL 135 N 0.80 1.23 -0.76 0.00 2.07 -0.38 -2.01 116.25 117.21 1gqo h VAL 135 Ca 0.15 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1gqo h VAL 135 Cb 0.51 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1gqo h VAL 135 CO 0.03 0.29 0.50 0.03 0.02 0.00 0.00 177.57 178.44 1gqo h ARG 136 N 0.64 1.00 -0.33 1.57 3.08 -0.46 -1.90 114.38 117.97 1gqo h ARG 136 Ca 0.15 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.17 1gqo h ARG 136 Cb 0.31 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1gqo h ARG 136 CO -0.00 0.66 0.13 -0.92 -1.07 0.00 0.00 179.97 178.77 1gqo h TYR 137 N 1.03 0.23 -0.77 3.04 3.20 -1.01 -2.10 116.97 120.58 1gqo h TYR 137 Ca 0.28 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 1gqo h TYR 137 Cb -0.12 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 1gqo h TYR 137 CO -0.02 0.10 0.46 -0.07 -1.64 0.00 0.00 178.16 177.00 1gqo h LEU 138 N 0.28 0.92 -1.19 2.82 4.07 -1.09 0.31 115.31 121.42 1gqo h LEU 138 Ca 0.15 -0.05 -0.05 0.00 0.08 0.00 0.00 57.88 58.00 1gqo h LEU 138 Cb 0.11 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 1gqo h LEU 138 CO -0.14 0.71 -0.02 -0.07 -1.08 0.00 0.00 178.44 177.84 1gqo h LEU 139 N 1.06 0.50 -1.24 1.67 3.38 -0.89 -1.62 115.31 118.16 1gqo h LEU 139 Ca 0.28 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1gqo h LEU 139 Cb -0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1gqo h LEU 139 CO -0.05 0.58 0.00 0.77 0.09 0.00 0.00 178.44 179.83 1gqo h SER 140 N 0.50 0.00 -0.02 -0.43 4.64 -0.28 -3.52 113.55 114.44 1gqo h SER 140 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1gqo h SER 140 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1gqo h SER 140 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97