#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 2.06 0.15 6.00 2.46 -1.26 -0.41 115.29 124.29 1gqo s HIS 2 Ca 0.00 -1.35 0.08 0.00 0.47 0.00 0.00 55.06 54.26 1gqo s HIS 2 Cb 0.00 -1.48 -0.04 0.00 -0.13 0.00 0.00 32.58 30.93 1gqo s HIS 2 CO 0.00 -0.68 -0.07 -0.06 -2.47 0.00 0.00 174.74 171.45 1gqo s PHE 3 N 1.51 2.73 -0.21 3.88 2.99 -0.44 -1.38 117.98 127.06 1gqo s PHE 3 Ca -0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 56.93 56.66 1gqo s PHE 3 Cb -0.16 -1.37 -0.05 0.00 0.00 0.00 0.00 43.02 41.44 1gqo s PHE 3 CO -0.08 0.48 0.11 -1.17 -0.00 0.00 0.00 175.22 174.56 1gqo s LEU 4 N -2.59 4.00 -0.49 -0.37 0.20 -0.92 -1.26 118.68 117.24 1gqo s LEU 4 Ca 0.24 0.11 -0.15 0.00 0.69 0.00 0.00 54.13 55.02 1gqo s LEU 4 Cb -0.10 -2.04 0.09 0.00 -0.43 0.00 0.00 46.19 43.71 1gqo s LEU 4 CO 0.15 0.13 0.42 -0.63 -0.29 0.00 0.00 176.35 176.13 1gqo s ILE 5 N 0.67 5.18 -0.24 6.68 -1.09 -0.35 -1.61 121.20 130.43 1gqo s ILE 5 Ca 0.06 -1.22 -0.07 0.00 -2.23 0.00 0.00 60.65 57.19 1gqo s ILE 5 Cb -0.13 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1gqo s ILE 5 CO 0.01 -0.67 0.06 -0.22 -1.23 0.00 0.00 174.94 172.90 1gqo s LEU 6 N 1.62 3.43 -0.09 2.97 0.20 -0.09 -1.96 118.68 124.76 1gqo s LEU 6 Ca 0.04 -0.20 0.01 0.00 0.69 0.00 0.00 54.13 54.67 1gqo s LEU 6 Cb -0.26 -1.92 -0.02 0.00 -0.43 0.00 0.00 46.19 43.56 1gqo s LEU 6 CO 0.05 -0.02 -0.12 0.20 -0.29 0.00 0.00 176.35 176.17 1gqo s ASN 7 N 1.54 4.16 0.10 3.68 0.01 -0.17 -1.40 114.94 122.86 1gqo s ASN 7 Ca 0.06 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 1gqo s ASN 7 Cb -0.15 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 40.25 1gqo s ASN 7 CO 0.03 0.26 0.00 0.61 -1.51 0.00 0.00 177.10 176.50 1gqo n GLY 8 N 2.86 1.36 3.76 0.66 0.00 0.77 -1.66 105.19 112.95 1gqo n GLY 8 Ca -0.18 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.51 2.43 -0.28 1.61 -0.04 -1.08 -2.60 135.00 134.53 1gqo n PRO 9 Ca 0.00 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 1gqo n PRO 9 Cb 0.00 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 0.15 0.00 0.04 3.54 3.02 -1.26 -4.43 115.26 116.32 1gqo n ASN 10 Ca 0.03 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.56 1gqo n ASN 10 Cb 0.40 -0.78 0.24 0.00 -0.61 0.00 0.00 39.78 39.03 1gqo n ASN 10 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1gqo h VAL 11 N 0.00 1.25 0.00 2.41 2.07 -1.88 -0.26 116.25 119.84 1gqo h VAL 11 Ca 0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1gqo h VAL 11 Cb 0.00 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1gqo h VAL 11 CO 0.00 0.37 0.03 -0.55 0.02 0.00 0.00 177.57 177.43 1gqo h ASN 12 N 0.38 0.00 -0.09 0.57 -1.07 -1.89 -2.86 115.58 110.63 1gqo h ASN 12 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.43 1gqo h ASN 12 Cb 0.59 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.84 1gqo h ASN 12 CO 0.04 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.08 1gqo n ARG 13 N -2.78 1.67 -1.46 4.14 5.12 -0.11 -4.69 116.66 118.55 1gqo n ARG 13 Ca -0.02 -0.99 -0.53 0.00 -1.93 0.00 0.00 57.85 54.37 1gqo n ARG 13 Cb 0.08 -1.43 -0.08 0.00 -1.16 0.00 0.00 32.46 29.87 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 0.21 2.00 0.00 0.55 4.32 -1.08 -2.68 117.00 120.32 1gqo n LEU 14 Ca 0.18 0.57 0.00 0.00 -0.02 0.00 0.00 56.01 56.74 1gqo n LEU 14 Cb 0.33 -1.19 0.00 0.00 -1.62 0.00 0.00 43.42 40.94 1gqo n LEU 14 CO 0.15 -0.67 0.00 0.61 -1.22 0.00 0.00 177.39 176.26 1gqo n GLY 15 N 6.26 1.54 0.37 -0.72 0.00 -1.26 -4.10 105.19 107.29 1gqo n GLY 15 Ca 0.40 -0.45 0.18 0.00 0.00 0.00 0.00 46.02 46.16 1gqo n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gqo h SER 16 N 2.00 0.09 -1.28 1.61 4.64 -1.91 -3.45 113.55 115.26 1gqo h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gqo h SER 16 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1gqo h SER 16 CO 0.00 0.05 0.00 -2.11 -0.87 0.00 0.00 176.83 173.90 1gqo n ARG 17 N -4.41 0.64 0.00 4.77 1.85 -1.26 -5.10 116.66 113.15 1gqo n ARG 17 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1gqo n ARG 17 Cb 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.96 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 0.00 0.20 2.89 0.28 -1.26 -4.87 120.64 117.88 1gqo n GLU 18 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.09 1gqo n GLU 18 Cb 0.00 0.00 0.14 0.00 1.43 0.00 0.00 31.44 33.01 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 0.00 0.00 -0.31 3.44 0.13 -1.91 -3.36 132.00 129.99 1gqo h PRO 19 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 1gqo h PRO 19 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1gqo h PRO 19 CO 0.00 0.14 -0.12 1.05 -0.23 0.00 0.00 178.00 178.84 1gqo h GLU 20 N 0.00 -0.06 0.00 0.86 -0.00 -1.90 1.47 114.58 114.96 1gqo h GLU 20 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1gqo h GLU 20 Cb 1.10 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.86 1gqo h GLU 20 CO 0.02 -0.04 -0.03 0.28 -0.00 0.00 0.00 179.01 179.24 1gqo h VAL 21 N -0.06 1.65 -0.20 -1.06 2.07 -1.99 -3.40 116.25 113.27 1gqo h VAL 21 Ca 0.16 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1gqo h VAL 21 Cb 0.30 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1gqo h VAL 21 CO -0.36 0.51 0.00 0.49 0.02 0.00 0.00 177.57 178.23 1gqo n PHE 22 N -4.67 0.26 0.00 1.57 3.01 -1.20 -4.47 117.46 111.97 1gqo n PHE 22 Ca -0.10 -0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.04 1gqo n PHE 22 Cb 0.42 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 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 0.44 1.34 0.10 1.37 0.00 0.50 -4.76 105.19 104.17 1gqo n GLY 23 Ca 0.08 -2.09 0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 0.63 2.82 -1.77 1.61 1.74 -1.26 -3.94 116.66 116.49 1gqo n ARG 24 Ca 0.00 -0.37 -0.34 0.00 -0.77 0.00 0.00 57.85 56.37 1gqo n ARG 24 Cb 0.00 -0.90 0.05 0.00 -1.02 0.00 0.00 32.46 30.60 1gqo n ARG 24 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1gqo s GLN 25 N -0.98 2.72 0.60 5.56 -2.07 -1.26 -4.81 119.66 119.42 1gqo s GLN 25 Ca 0.04 1.57 0.06 0.00 -1.82 0.00 0.00 55.36 55.21 1gqo s GLN 25 Cb 0.04 -1.92 0.11 0.00 -1.09 0.00 0.00 33.01 30.14 1gqo s GLN 25 CO 0.13 -1.35 0.82 0.25 -1.32 0.00 0.00 175.29 173.83 1gqo n THR 26 N -2.24 0.00 -0.11 3.63 -2.24 -1.26 -4.27 114.28 107.79 1gqo n THR 26 Ca 0.12 -1.72 -0.02 0.00 -2.27 0.00 0.00 64.05 60.15 1gqo n THR 26 Cb 0.51 -0.66 0.22 0.00 -2.10 0.00 0.00 70.33 68.29 1gqo n THR 26 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1gqo h LEU 27 N 0.00 0.73 0.04 3.22 5.85 -1.83 -1.73 115.31 121.60 1gqo h LEU 27 Ca -0.27 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 1gqo h LEU 27 Cb 1.17 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1gqo h LEU 27 CO 0.36 0.71 -0.02 0.74 -0.34 0.00 0.00 178.44 179.88 1gqo h THR 28 N 0.76 0.97 -0.57 1.05 2.02 -1.94 -0.86 112.91 114.35 1gqo h THR 28 Ca 0.17 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.40 1gqo h THR 28 Cb 0.26 1.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.60 1gqo h THR 28 CO -0.00 0.01 0.17 0.44 0.37 0.00 0.00 175.52 176.51 1gqo h ASP 29 N -0.08 0.12 -0.75 4.18 3.32 -1.80 -0.38 116.42 121.04 1gqo h ASP 29 Ca -0.01 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1gqo h ASP 29 Cb 0.06 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 1gqo h ASP 29 CO 0.01 0.08 0.37 0.40 -1.72 0.00 0.00 179.24 178.39 1gqo h ILE 30 N 0.33 1.24 -0.50 0.35 2.04 -0.94 -1.54 117.51 118.49 1gqo h ILE 30 Ca 0.29 -0.66 -0.12 0.00 1.00 0.00 0.00 64.86 65.38 1gqo h ILE 30 Cb 0.37 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1gqo h ILE 30 CO -0.32 0.28 -0.14 -0.08 0.00 0.00 0.00 178.15 177.89 1gqo h GLU 31 N 1.08 0.97 -0.70 2.37 4.81 -0.55 -1.11 114.58 121.46 1gqo h GLU 31 Ca 0.26 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1gqo h GLU 31 Cb 0.10 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1gqo h GLU 31 CO -0.04 1.05 0.44 1.15 -0.73 0.00 0.00 179.01 180.89 1gqo h THR 32 N 0.83 1.19 -0.46 0.32 2.02 -0.80 0.67 112.91 116.68 1gqo h THR 32 Ca 0.12 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1gqo h THR 32 Cb 0.70 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1gqo h THR 32 CO 0.05 0.19 0.19 0.44 0.37 0.00 0.00 175.52 176.76 1gqo h ASP 33 N 0.95 0.63 -0.21 4.18 3.32 -1.00 -2.38 116.42 121.92 1gqo h ASP 33 Ca 0.25 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1gqo h ASP 33 Cb -0.07 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1gqo h ASP 33 CO -0.05 0.62 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.95 1gqo h LEU 34 N 0.60 0.53 -0.03 1.55 3.38 -0.91 0.17 115.31 120.60 1gqo h LEU 34 Ca 0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1gqo h LEU 34 Cb 0.19 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1gqo h LEU 34 CO -0.01 0.65 0.02 -0.26 0.09 0.00 0.00 178.44 178.93 1gqo h PHE 35 N 0.52 0.04 -0.85 1.13 0.05 -0.42 0.54 116.94 117.96 1gqo h PHE 35 Ca 0.10 -0.00 0.16 0.00 3.82 0.00 0.00 57.97 62.05 1gqo h PHE 35 Cb 0.44 -0.01 -0.10 0.00 2.00 0.00 0.00 35.95 38.28 1gqo h PHE 35 CO 0.02 0.07 0.42 1.96 -0.18 0.00 0.00 178.31 180.60 1gqo h GLN 36 N -0.00 0.56 -0.16 1.51 4.20 -1.11 0.10 115.11 120.20 1gqo h GLN 36 Ca 0.01 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1gqo h GLN 36 Cb 0.04 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1gqo h GLN 36 CO -0.00 0.37 -0.06 0.35 -0.67 0.00 0.00 178.83 178.82 1gqo h PHE 37 N 0.58 0.38 0.30 2.96 3.57 -0.52 -2.74 116.94 121.47 1gqo h PHE 37 Ca 0.47 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 1gqo h PHE 37 Cb 0.71 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1gqo h PHE 37 CO -0.10 0.63 -0.15 0.00 -2.23 0.00 0.00 178.31 176.46 1gqo h ALA 38 N 0.70 -0.41 -0.94 2.41 0.00 0.15 -2.37 119.26 118.80 1gqo h ALA 38 Ca 0.04 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.01 1gqo h ALA 38 Cb 0.52 0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.30 1gqo h ALA 38 CO 0.02 -0.71 -0.32 0.93 0.00 0.00 0.00 179.25 179.17 1gqo h GLU 39 N -0.45 -0.02 0.00 0.00 3.07 -1.07 0.31 114.58 116.43 1gqo h GLU 39 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1gqo h GLU 39 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1gqo h GLU 39 CO 0.07 -0.01 0.00 0.00 -1.40 0.00 0.00 179.01 177.67 1gqo n ALA 40 N -3.48 1.65 -0.02 3.43 0.00 -0.93 -0.83 120.51 120.33 1gqo n ALA 40 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1gqo n ALA 40 Cb 0.43 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.69 1gqo n ALA 40 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1gqo n LEU 41 N -1.38 2.03 -3.47 0.00 -0.00 0.92 -5.01 117.00 110.09 1gqo n LEU 41 Ca 0.05 -2.02 -0.15 0.00 -0.00 0.00 0.00 56.01 53.89 1gqo n LEU 41 Cb 0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1gqo n LEU 41 CO 0.10 0.51 0.03 1.41 -0.00 0.00 0.00 177.39 179.43 1gqo n HIS 42 N -0.49 -2.43 -3.73 1.47 8.25 -0.01 -5.02 115.22 113.26 1gqo n HIS 42 Ca 0.01 0.93 -0.12 0.00 -0.26 0.00 0.00 57.72 58.28 1gqo n HIS 42 Cb 0.26 -3.41 -0.07 0.00 1.12 0.00 0.00 29.99 27.89 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 -3.04 0.08 0.09 1.59 -4.36 -0.99 -4.60 121.20 109.98 1gqo s ILE 43 Ca 0.05 -0.64 0.01 0.00 -0.26 0.00 0.00 60.65 59.81 1gqo s ILE 43 Cb -0.02 -0.97 -0.04 0.00 1.25 0.00 0.00 42.46 42.69 1gqo s ILE 43 CO 0.83 -0.35 0.23 -1.10 0.24 0.00 0.00 174.94 174.79 1gqo s GLN 44 N -2.65 3.43 0.03 0.37 -0.21 0.45 -4.12 119.66 116.96 1gqo s GLN 44 Ca -0.04 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 54.87 1gqo s GLN 44 Cb -0.01 -3.01 -0.02 0.00 1.00 0.00 0.00 33.01 30.98 1gqo s GLN 44 CO -0.04 0.58 -0.10 -0.51 -2.12 0.00 0.00 175.29 173.10 1gqo s LEU 45 N -2.77 2.16 -0.06 2.90 1.43 -1.26 -1.33 118.68 119.75 1gqo s LEU 45 Ca 0.35 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 1gqo s LEU 45 Cb -0.12 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 1gqo s LEU 45 CO 0.28 -0.03 -0.23 -0.89 0.23 0.00 0.00 176.35 175.71 1gqo s THR 46 N -0.83 1.94 -0.02 5.49 2.01 -0.39 -4.96 115.64 118.88 1gqo s THR 46 Ca -0.02 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.00 1gqo s THR 46 Cb -0.07 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1gqo s THR 46 CO 0.01 0.54 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.10 1gqo s PHE 47 N -0.08 3.03 -0.12 4.92 0.40 -1.26 -1.21 117.98 123.66 1gqo s PHE 47 Ca -0.05 0.06 -0.06 0.00 -0.60 0.00 0.00 56.93 56.29 1gqo s PHE 47 Cb -0.14 -1.67 0.05 0.00 0.51 0.00 0.00 43.02 41.77 1gqo s PHE 47 CO 0.04 0.43 0.27 0.12 0.70 0.00 0.00 175.22 176.78 1gqo s PHE 48 N -1.02 -0.37 0.10 0.36 5.36 -0.83 -4.98 117.98 116.60 1gqo s PHE 48 Ca 0.18 0.87 0.10 0.00 -0.96 0.00 0.00 56.93 57.12 1gqo s PHE 48 Cb -0.11 0.08 -0.04 0.00 -0.34 0.00 0.00 43.02 42.62 1gqo s PHE 48 CO 0.08 -0.25 -0.27 -1.14 -1.46 0.00 0.00 175.22 172.18 1gqo s GLN 49 N 1.26 1.53 -0.02 10.12 -0.44 -1.26 -1.00 119.66 129.85 1gqo s GLN 49 Ca -0.09 -1.26 -0.25 0.00 -2.50 0.00 0.00 55.36 51.27 1gqo s GLN 49 Cb -0.10 -1.91 0.05 0.00 -1.64 0.00 0.00 33.01 29.42 1gqo s GLN 49 CO -0.09 0.47 0.55 0.45 0.50 0.00 0.00 175.29 177.16 1gqo s SER 50 N -1.76 -0.49 0.00 6.67 0.15 -0.66 -4.99 113.70 112.63 1gqo s SER 50 Ca 0.13 0.43 0.27 0.00 0.70 0.00 0.00 55.95 57.48 1gqo s SER 50 Cb -0.10 0.47 0.84 0.00 -1.71 0.00 0.00 66.02 65.52 1gqo s SER 50 CO 0.05 -0.59 1.63 0.59 1.20 0.00 0.00 173.24 176.11 1gqo n ASN 51 N 0.88 1.81 -4.64 5.45 3.02 -1.26 -2.65 115.26 117.88 1gqo n ASN 51 Ca -0.19 -1.59 -0.35 0.00 -0.03 0.00 0.00 54.58 52.41 1gqo n ASN 51 Cb 0.58 0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.66 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 -2.02 3.28 0.22 3.10 3.76 -1.26 -4.63 115.29 117.74 1gqo s HIS 52 Ca 0.35 0.11 -0.08 0.00 -0.15 0.00 0.00 55.06 55.29 1gqo s HIS 52 Cb 0.21 -2.17 0.36 0.00 1.11 0.00 0.00 32.58 32.09 1gqo s HIS 52 CO 0.34 0.09 1.70 1.49 -0.85 0.00 0.00 174.74 177.51 1gqo h GLU 53 N 7.12 0.29 -0.42 1.40 4.81 -2.01 -1.70 114.58 124.06 1gqo h GLU 53 Ca -0.38 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.86 1gqo h GLU 53 Cb 1.17 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1gqo h GLU 53 CO 0.68 0.19 0.28 0.78 -0.73 0.00 0.00 179.01 180.21 1gqo h GLY 54 N 0.30 0.53 1.10 1.92 0.00 -1.99 -1.99 103.07 102.94 1gqo h GLY 54 Ca 0.36 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 47.34 1gqo h GLY 54 CO -0.43 0.17 -0.42 -0.55 0.00 0.00 0.00 176.54 175.31 1gqo h ASP 55 N 0.48 0.95 -0.44 0.19 3.32 -1.73 -1.32 116.42 117.86 1gqo h ASP 55 Ca 0.17 -0.49 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 1gqo h ASP 55 Cb 0.07 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1gqo h ASP 55 CO -0.04 1.25 0.10 -0.07 -1.72 0.00 0.00 179.24 178.76 1gqo h LEU 56 N 0.67 0.68 -0.07 1.55 3.38 -1.23 -1.05 115.31 119.26 1gqo h LEU 56 Ca 0.04 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1gqo h LEU 56 Cb 1.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1gqo h LEU 56 CO 0.10 0.75 -0.00 0.40 0.09 0.00 0.00 178.44 179.78 1gqo h ILE 57 N 0.59 0.95 -0.61 1.22 2.04 -1.34 -0.06 117.51 120.29 1gqo h ILE 57 Ca 0.14 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.05 1gqo h ILE 57 Cb 0.34 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1gqo h ILE 57 CO 0.00 0.00 0.32 0.44 0.00 0.00 0.00 178.15 178.92 1gqo h ASP 58 N 0.02 0.46 -0.63 1.72 3.32 -1.12 -0.75 116.42 119.43 1gqo h ASP 58 Ca 0.03 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1gqo h ASP 58 Cb 0.04 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1gqo h ASP 58 CO -0.06 0.30 0.40 0.00 -1.72 0.00 0.00 179.24 178.16 1gqo h ALA 59 N 1.34 0.81 -0.06 3.45 0.00 -0.97 -2.01 119.26 121.81 1gqo h ALA 59 Ca 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1gqo h ALA 59 Cb 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gqo h ALA 59 CO -0.19 0.26 0.01 0.82 0.00 0.00 0.00 179.25 180.15 1gqo h ILE 60 N 0.86 1.20 -0.75 0.00 2.04 -0.55 0.48 117.51 120.79 1gqo h ILE 60 Ca 0.23 -0.62 0.10 0.00 1.00 0.00 0.00 64.86 65.56 1gqo h ILE 60 Cb -0.06 1.51 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 1gqo h ILE 60 CO -0.05 0.17 0.39 0.45 0.00 0.00 0.00 178.15 179.12 1gqo h HIS 61 N -0.13 0.70 0.00 1.37 3.86 -1.02 -2.55 115.15 117.37 1gqo h HIS 61 Ca 0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1gqo h HIS 61 Cb 0.26 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1gqo h HIS 61 CO 0.01 0.26 0.00 0.93 0.86 0.00 0.00 177.93 179.99 1gqo h GLU 62 N 0.65 0.00 -0.83 2.45 5.08 -1.11 -3.32 114.58 117.50 1gqo h GLU 62 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1gqo h GLU 62 Cb 0.38 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1gqo h GLU 62 CO -0.27 0.00 0.54 0.00 -1.00 0.00 0.00 179.01 178.28 1gqo h ALA 63 N 2.20 1.38 -1.01 3.43 0.00 -0.46 -3.18 119.26 121.62 1gqo h ALA 63 Ca 0.00 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.10 1gqo h ALA 63 Cb 0.78 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1gqo h ALA 63 CO 0.00 0.56 0.68 1.49 0.00 0.00 0.00 179.25 181.98 1gqo h GLU 64 N 1.14 0.27 -0.25 0.00 4.57 -1.70 0.14 114.58 118.76 1gqo h GLU 64 Ca 0.30 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1gqo h GLU 64 Cb -0.11 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1gqo h GLU 64 CO -0.06 0.18 0.00 0.39 -1.18 0.00 0.00 179.01 178.34 1gqo n GLU 65 N -4.48 2.21 0.00 1.92 1.02 -1.20 -4.61 120.64 115.50 1gqo n GLU 65 Ca 0.23 -1.81 0.00 0.00 -0.02 0.00 0.00 57.16 55.56 1gqo n GLU 65 Cb 0.90 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 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 1.06 1.51 -4.52 3.49 7.27 -0.30 -5.13 117.38 120.77 1gqo n GLN 66 Ca 0.18 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.98 1gqo n GLN 66 Cb 0.51 -0.57 -0.10 0.00 2.41 0.00 0.00 30.24 32.49 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 -0.95 2.51 -0.81 3.69 1.51 0.35 -4.93 117.35 118.71 1gqo s TYR 67 Ca 0.00 -0.61 0.10 0.00 -1.01 0.00 0.00 57.07 55.56 1gqo s TYR 67 Cb 0.00 -1.70 0.30 0.00 -0.11 0.00 0.00 41.96 40.45 1gqo s TYR 67 CO 0.00 0.44 1.25 -1.13 -1.11 0.00 0.00 175.55 175.00 1gqo n SER 68 N -0.97 2.93 0.00 2.29 3.41 -0.48 -4.73 113.62 116.07 1gqo n SER 68 Ca -0.04 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 1gqo n SER 68 Cb 0.66 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1gqo n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqo n GLY 69 N 0.37 1.45 2.89 5.00 0.00 -1.26 -4.53 105.19 109.11 1gqo n GLY 69 Ca 0.11 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 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 0.32 -0.37 -0.61 1.01 -0.82 -2.18 121.20 116.56 1gqo s ILE 70 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.50 1gqo s ILE 70 Cb 0.00 -0.34 0.06 0.00 0.01 0.00 0.00 42.46 42.19 1gqo s ILE 70 CO 0.00 0.14 0.16 -0.69 0.00 0.00 0.00 174.94 174.55 1gqo s VAL 71 N 0.48 3.85 -0.17 2.92 1.01 -0.63 -1.25 120.40 126.62 1gqo s VAL 71 Ca -0.05 -1.30 -0.04 0.00 0.00 0.00 0.00 61.98 60.59 1gqo s VAL 71 Cb -0.08 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1gqo s VAL 71 CO -0.01 -0.32 -0.03 -0.22 0.00 0.00 0.00 175.10 174.52 1gqo s LEU 72 N 1.38 3.20 -0.40 3.92 2.96 -0.43 -0.92 118.68 128.40 1gqo s LEU 72 Ca 0.01 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 1gqo s LEU 72 Cb -0.21 -1.78 0.11 0.00 0.50 0.00 0.00 46.19 44.81 1gqo s LEU 72 CO 0.02 0.14 0.13 0.21 -1.32 0.00 0.00 176.35 175.53 1gqo s ASN 73 N 0.56 4.51 0.00 3.68 3.84 -0.49 -1.32 114.94 125.72 1gqo s ASN 73 Ca -0.03 -2.42 0.17 0.00 0.21 0.00 0.00 52.86 50.80 1gqo s ASN 73 Cb -0.14 -1.54 0.71 0.00 -0.55 0.00 0.00 41.25 39.73 1gqo s ASN 73 CO 0.03 -0.33 1.50 -0.81 -2.79 0.00 0.00 177.10 174.70 1gqo n PRO 74 N 3.89 1.52 0.00 0.43 -0.04 -1.26 -0.16 135.00 139.38 1gqo n PRO 74 Ca 0.04 -0.78 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 1gqo n PRO 74 Cb 0.38 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.99 0.71 0.05 0.55 0.00 -1.26 -2.54 105.19 103.69 1gqo n GLY 75 Ca 0.14 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 3.93 1.34 0.28 4.61 0.00 -1.26 -2.58 120.51 126.82 1gqo n ALA 76 Ca 0.00 0.04 0.18 0.00 0.00 0.00 0.00 53.44 53.66 1gqo n ALA 76 Cb 0.00 -1.20 0.93 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.98 0.00 3.38 -1.86 -2.54 115.31 113.31 1gqo h LEU 77 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1gqo h LEU 77 Cb 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 1gqo h LEU 77 CO 0.00 0.00 0.60 -1.28 0.09 0.00 0.00 178.44 177.85 1gqo h SER 78 N 0.00 0.83 1.22 -0.43 0.87 -1.64 -0.62 113.55 113.78 1gqo h SER 78 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1gqo h SER 78 Cb 0.06 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1gqo h SER 78 CO 0.00 0.39 0.00 1.41 -0.53 0.00 0.00 176.83 178.10 1gqo n HIS 79 N -4.70 0.67 -0.60 2.24 8.25 -0.95 -0.69 115.22 119.44 1gqo n HIS 79 Ca 0.20 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1gqo n HIS 79 Cb 0.44 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 30.71 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 -2.06 0.00 -2.96 4.41 0.18 -1.02 -4.67 117.16 111.04 1gqo n TYR 80 Ca 0.05 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.39 1gqo n TYR 80 Cb 0.37 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.32 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 6.87 0.57 9.48 0.15 -0.27 -4.75 113.70 125.75 1gqo s SER 81 Ca 0.00 -2.58 0.29 0.00 0.70 0.00 0.00 55.95 54.36 1gqo s SER 81 Cb 0.00 -2.39 1.74 0.00 -1.71 0.00 0.00 66.02 63.66 1gqo s SER 81 CO 0.00 -0.87 2.21 1.88 1.20 0.00 0.00 173.24 177.66 1gqo h TYR 82 N 7.91 0.00 -0.15 3.44 -1.99 -1.90 -2.57 116.97 121.71 1gqo h TYR 82 Ca 0.24 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.84 1gqo h TYR 82 Cb 0.95 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.66 1gqo h TYR 82 CO 1.12 0.03 -0.46 0.00 -0.00 0.00 0.00 178.16 178.85 1gqo h ALA 83 N 1.97 0.94 -0.10 3.88 0.00 -1.98 -1.92 119.26 122.04 1gqo h ALA 83 Ca -0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 1gqo h ALA 83 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gqo h ALA 83 CO 0.00 0.64 -0.74 0.82 0.00 0.00 0.00 179.25 179.98 1gqo h ILE 84 N 0.29 1.35 -0.06 0.00 2.04 -1.85 -2.90 117.51 116.39 1gqo h ILE 84 Ca 0.02 -2.08 0.04 0.00 1.00 0.00 0.00 64.86 63.83 1gqo h ILE 84 Cb 0.93 2.07 -0.06 0.00 -0.74 0.00 0.00 36.82 39.01 1gqo h ILE 84 CO 0.08 0.64 -0.42 -0.09 0.00 0.00 0.00 178.15 178.36 1gqo h ARG 85 N 0.36 -0.52 -0.04 2.37 2.43 -1.20 -1.56 114.38 116.22 1gqo h ARG 85 Ca -0.04 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1gqo h ARG 85 Cb 1.33 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 31.00 1gqo h ARG 85 CO 0.14 -0.35 -0.07 -0.44 -1.51 0.00 0.00 179.97 177.74 1gqo h ASP 86 N -0.54 0.05 -0.06 -3.80 3.32 -1.37 -1.68 116.42 112.34 1gqo h ASP 86 Ca 0.06 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1gqo h ASP 86 Cb 0.64 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1gqo h ASP 86 CO -0.35 0.13 0.02 0.00 -1.72 0.00 0.00 179.24 177.32 1gqo h ALA 87 N 1.88 0.07 -0.83 3.45 0.00 -1.26 -0.91 119.26 121.66 1gqo h ALA 87 Ca 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1gqo h ALA 87 Cb 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1gqo h ALA 87 CO 0.01 -0.34 0.54 0.28 0.00 0.00 0.00 179.25 179.74 1gqo h VAL 88 N -0.08 1.14 0.00 0.00 2.07 -0.70 -1.81 116.25 116.86 1gqo h VAL 88 Ca 0.02 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1gqo h VAL 88 Cb 0.18 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1gqo h VAL 88 CO -0.00 0.19 -0.03 0.28 0.02 0.00 0.00 177.57 178.03 1gqo h SER 89 N 1.04 0.00 0.02 0.57 0.02 -0.87 -3.02 113.55 111.31 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 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1gqo h SER 89 CO -0.11 0.03 -0.02 -1.54 -1.14 0.00 0.00 176.83 174.04 1gqo n SER 90 N -3.15 1.23 -4.59 3.07 3.41 -0.39 -4.89 113.62 108.31 1gqo n SER 90 Ca -0.00 -1.36 -0.24 0.00 -0.26 0.00 0.00 58.87 57.01 1gqo n SER 90 Cb 0.28 0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.05 2.80 -0.74 -1.33 -4.36 -1.14 -5.05 121.20 109.33 1gqo s ILE 91 Ca 0.38 -2.07 0.23 0.00 -0.26 0.00 0.00 60.65 58.93 1gqo s ILE 91 Cb 0.21 -2.68 -0.13 0.00 1.25 0.00 0.00 42.46 41.10 1gqo s ILE 91 CO 0.36 -0.30 1.04 -1.54 0.24 0.00 0.00 174.94 174.74 1gqo n SER 92 N -0.85 0.65 -4.78 4.36 3.41 -1.26 -4.95 113.62 110.21 1gqo n SER 92 Ca -0.05 -0.39 -0.36 0.00 -0.26 0.00 0.00 58.87 57.81 1gqo n SER 92 Cb 0.61 0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 65.36 1gqo n SER 92 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gqo s LEU 93 N -3.59 3.91 0.05 1.04 1.43 -1.26 -5.00 118.68 115.26 1gqo s LEU 93 Ca 0.05 2.20 -0.31 0.00 -1.03 0.00 0.00 54.13 55.04 1gqo s LEU 93 Cb 0.15 -4.39 -0.07 0.00 0.03 0.00 0.00 46.19 41.91 1gqo s LEU 93 CO 0.81 -0.98 1.44 -2.16 0.23 0.00 0.00 176.35 175.69 1gqo s PRO 94 N -2.95 4.28 -0.09 1.29 0.04 -1.26 -4.92 135.00 131.39 1gqo s PRO 94 Ca 0.67 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.79 1gqo s PRO 94 Cb -0.25 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 30.81 1gqo s PRO 94 CO 0.30 -0.55 -0.16 0.08 0.04 0.00 0.00 177.00 176.70 1gqo s VAL 95 N 1.99 2.81 -0.19 -0.36 1.01 -1.26 -1.94 120.40 122.45 1gqo s VAL 95 Ca 0.66 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1gqo s VAL 95 Cb -0.35 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1gqo s VAL 95 CO 0.29 0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 175.17 1gqo s VAL 96 N -0.04 3.18 0.10 2.92 1.01 -0.38 -1.17 120.40 126.02 1gqo s VAL 96 Ca -0.04 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 1gqo s VAL 96 Cb -0.14 -2.41 -0.07 0.00 0.00 0.00 0.00 36.38 33.76 1gqo s VAL 96 CO 0.04 0.46 0.72 -0.70 0.00 0.00 0.00 175.10 175.62 1gqo s GLU 97 N 1.16 4.46 -0.01 2.72 2.12 -0.67 -1.31 118.70 127.17 1gqo s GLU 97 Ca 0.02 1.02 0.01 0.00 0.36 0.00 0.00 54.97 56.37 1gqo s GLU 97 Cb -0.14 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1gqo s GLU 97 CO -0.02 0.48 -0.03 0.08 -0.54 0.00 0.00 175.26 175.23 1gqo s VAL 98 N -0.74 0.29 -0.05 3.70 1.01 -0.43 -1.30 120.40 122.88 1gqo s VAL 98 Ca 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 1gqo s VAL 98 Cb -0.21 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 35.93 1gqo s VAL 98 CO 0.23 0.09 0.11 -1.00 0.00 0.00 0.00 175.10 174.53 1gqo s HIS 99 N 0.05 -0.11 -0.04 5.22 3.76 -0.87 -4.11 115.29 119.19 1gqo s HIS 99 Ca -0.00 0.33 -0.22 0.00 -0.15 0.00 0.00 55.06 55.02 1gqo s HIS 99 Cb -0.03 -0.04 -0.30 0.00 1.11 0.00 0.00 32.58 33.32 1gqo s HIS 99 CO -0.00 -0.10 0.92 -0.07 -0.85 0.00 0.00 174.74 174.64 1gqo h LEU 100 N 6.58 0.47-10.37 0.89 4.07 -1.88 -2.97 115.31 112.10 1gqo h LEU 100 Ca -0.34 -0.93 -0.50 0.00 0.08 0.00 0.00 57.88 56.20 1gqo h LEU 100 Cb 1.17 -0.15 0.06 0.00 1.08 0.00 0.00 40.66 42.82 1gqo h LEU 100 CO 0.44 1.36 0.32 -0.94 -1.08 0.00 0.00 178.44 178.54 1gqo s SER 101 N -6.92 6.05 -0.89 -0.43 1.04 -1.26 -1.19 113.70 110.11 1gqo s SER 101 Ca -0.14 1.18 -0.23 0.00 0.48 0.00 0.00 55.95 57.24 1gqo s SER 101 Cb 0.01 -2.26 0.06 0.00 0.10 0.00 0.00 66.02 63.93 1gqo s SER 101 CO 0.83 -0.89 1.30 0.21 0.98 0.00 0.00 173.24 175.67 1gqo s ASN 102 N -4.20 6.38 0.29 7.02 3.84 -1.26 -2.04 114.94 124.97 1gqo s ASN 102 Ca 0.53 -1.19 -0.02 0.00 0.21 0.00 0.00 52.86 52.39 1gqo s ASN 102 Cb -0.11 -2.53 0.43 0.00 -0.55 0.00 0.00 41.25 38.50 1gqo s ASN 102 CO 0.50 -1.53 1.95 -0.07 -2.79 0.00 0.00 177.10 175.16 1gqo h LEU 103 N 12.36 0.97 -2.75 3.21 3.38 -1.92 -2.21 115.31 128.35 1gqo h LEU 103 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1gqo h LEU 103 Cb 1.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1gqo h LEU 103 CO 1.31 0.69 -0.00 1.88 0.09 0.00 0.00 178.44 182.41 1gqo h TYR 104 N 1.14 0.00 -0.02 1.13 -1.99 -1.89 0.58 116.97 115.92 1gqo h TYR 104 Ca 0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.06 1gqo h TYR 104 Cb -0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.66 1gqo h TYR 104 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1gqo n ALA 105 N -2.09 2.54 -2.47 3.88 0.00 -0.83 -4.95 120.51 116.59 1gqo n ALA 105 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1gqo n ALA 105 Cb 0.11 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.49 3.55 -1.68 0.00 1.74 0.19 -5.08 116.66 115.88 1gqo n ARG 106 Ca 0.18 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.87 1gqo n ARG 106 Cb 0.42 0.00 0.05 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 1.29 -0.31 5.56 4.71 -1.26 -4.91 120.64 125.71 1gqo n GLU 107 Ca 0.00 0.48 0.06 0.00 -0.01 0.00 0.00 57.16 57.69 1gqo n GLU 107 Cb 0.00 -2.35 0.21 0.00 -1.01 0.00 0.00 31.44 28.30 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 0.99 0.76 0.00 3.49 4.81 -1.95 -1.35 114.58 121.33 1gqo h GLU 108 Ca -0.49 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1gqo h GLU 108 Cb 1.33 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1gqo h GLU 108 CO 0.54 0.50 0.00 0.27 -0.73 0.00 0.00 179.01 179.60 1gqo h PHE 109 N 0.78 0.00 -0.18 0.92 -5.15 -1.97 -1.09 116.94 110.25 1gqo h PHE 109 Ca 0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.23 1gqo h PHE 109 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.70 1gqo h PHE 109 CO -0.05 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 176.80 1gqo n ARG 110 N -3.06 1.96 0.00 6.09 1.74 -0.51 -4.15 116.66 118.73 1gqo n ARG 110 Ca -0.03 -1.43 0.14 0.00 -0.77 0.00 0.00 57.85 55.76 1gqo n ARG 110 Cb 0.07 -1.44 0.51 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.67 0.00 -4.52 -1.55 8.25 -0.41 -4.71 115.22 112.95 1gqo n HIS 111 Ca 0.17 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.41 1gqo n HIS 111 Cb 0.42 -0.05 -0.14 0.00 1.12 0.00 0.00 29.99 31.34 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 -2.19 1.10 -0.12 -0.41 0.74 -1.26 -4.98 119.66 112.54 1gqo s GLN 112 Ca 0.34 -0.70 -0.01 0.00 0.05 0.00 0.00 55.36 55.04 1gqo s GLN 112 Cb 0.20 -1.11 -0.02 0.00 1.10 0.00 0.00 33.01 33.18 1gqo s GLN 112 CO 0.40 0.29 -0.10 0.45 -0.55 0.00 0.00 175.29 175.78 1gqo s SER 113 N -0.85 4.32 0.00 6.67 0.15 -1.26 -4.24 113.70 118.49 1gqo s SER 113 Ca 0.04 -0.21 0.26 0.00 0.70 0.00 0.00 55.95 56.73 1gqo s SER 113 Cb -0.07 -1.50 0.56 0.00 -1.71 0.00 0.00 66.02 63.30 1gqo s SER 113 CO 0.01 0.22 1.46 1.33 1.20 0.00 0.00 173.24 177.45 1gqo n VAL 114 N 3.18 0.00 -0.09 4.45 0.24 0.13 -4.05 118.33 122.19 1gqo n VAL 114 Ca -0.18 -0.28 -0.15 0.00 -2.04 0.00 0.00 64.34 61.69 1gqo n VAL 114 Cb 0.53 0.86 -0.14 0.00 -1.47 0.00 0.00 33.84 33.62 1gqo n VAL 114 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1gqo n ILE 115 N 0.22 1.51 -0.21 1.34 5.41 -1.26 -4.57 119.36 121.80 1gqo n ILE 115 Ca 0.14 -0.70 0.10 0.00 1.00 0.00 0.00 62.75 63.29 1gqo n ILE 115 Cb 0.43 -1.11 0.39 0.00 -0.71 0.00 0.00 39.64 38.65 1gqo n ILE 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1gqo h ALA 116 N 0.43 1.82 -1.01 -1.39 0.00 -1.92 -2.33 119.26 114.86 1gqo h ALA 116 Ca -0.52 -0.00 0.27 0.00 0.00 0.00 0.00 54.91 54.65 1gqo h ALA 116 Cb 2.04 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.62 1gqo h ALA 116 CO -0.01 0.00 0.69 -1.35 0.00 0.00 0.00 179.25 178.58 1gqo h PRO 117 N 0.67 0.20 -0.08 0.00 0.11 -1.80 -1.26 132.00 129.82 1gqo h PRO 117 Ca 0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1gqo h PRO 117 Cb 0.52 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1gqo h PRO 117 CO -0.14 0.13 0.00 1.33 -0.21 0.00 0.00 178.00 179.11 1gqo n VAL 118 N -4.41 0.09 -3.21 3.15 0.24 -0.88 -4.97 118.33 108.34 1gqo n VAL 118 Ca 0.22 -0.55 -0.19 0.00 -2.04 0.00 0.00 64.34 61.79 1gqo n VAL 118 Cb 0.95 1.35 0.01 0.00 -1.47 0.00 0.00 33.84 34.67 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 -1.67 4.20 0.32 2.33 0.00 -0.48 -4.73 121.76 121.73 1gqo s ALA 119 Ca 0.26 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1gqo s ALA 119 Cb 0.18 -1.78 0.54 0.00 0.00 0.00 0.00 23.12 22.06 1gqo s ALA 119 CO 0.26 -0.21 1.87 0.87 0.00 0.00 0.00 175.76 178.56 1gqo h LYS 120 N 0.68 0.67 0.00 0.00 1.79 -1.42 -3.49 116.57 114.80 1gqo h LYS 120 Ca -0.44 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 1gqo h LYS 120 Cb 1.26 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1gqo h LYS 120 CO 0.52 0.62 0.00 0.41 -1.08 0.00 0.00 179.45 179.92 1gqo n GLY 121 N -0.94 -1.62 3.01 3.86 0.00 -1.25 -5.07 105.19 103.19 1gqo n GLY 121 Ca 0.03 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.58 0.37 -0.10 1.61 0.74 -1.26 -1.67 119.66 117.77 1gqo s GLN 122 Ca 0.00 -0.62 -0.00 0.00 0.05 0.00 0.00 55.36 54.78 1gqo s GLN 122 Cb 0.00 0.13 0.02 0.00 1.10 0.00 0.00 33.01 34.27 1gqo s GLN 122 CO 0.00 -0.07 -0.06 0.42 -0.55 0.00 0.00 175.29 175.03 1gqo s ILE 123 N -1.65 0.88 -0.02 -2.34 1.01 -0.42 -4.95 121.20 113.71 1gqo s ILE 123 Ca -0.14 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.34 1gqo s ILE 123 Cb -0.08 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 1gqo s ILE 123 CO -0.01 0.34 -0.14 -0.69 0.00 0.00 0.00 174.94 174.43 1gqo s VAL 124 N 1.63 1.17 0.00 2.92 1.01 -1.26 -2.06 120.40 123.81 1gqo s VAL 124 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1gqo s VAL 124 Cb -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1gqo s VAL 124 CO -0.06 0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1gqo n GLY 125 N 2.93 0.94 1.64 4.51 0.00 -0.87 -4.85 105.19 109.50 1gqo n GLY 125 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 4.89 0.00 0.99 4.77 -1.22 -4.53 117.00 121.90 1gqo n LEU 126 Ca 0.00 -2.52 0.00 0.00 -0.03 0.00 0.00 56.01 53.46 1gqo n LEU 126 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1gqo n LEU 126 CO 0.00 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1gqo n GLY 127 N 0.06 0.46 0.25 -0.72 0.00 -0.33 -3.42 105.19 101.49 1gqo n GLY 127 Ca 0.28 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.52 1gqo n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqo h ALA 128 N -0.91 1.28 -0.31 4.61 0.00 -1.86 -1.18 119.26 120.89 1gqo h ALA 128 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.86 1gqo h ALA 128 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1gqo h ALA 128 CO 0.00 0.19 0.33 1.49 0.00 0.00 0.00 179.25 181.26 1gqo h GLU 129 N 0.00 0.00 -0.23 0.00 4.57 -1.98 -2.52 114.58 114.43 1gqo h GLU 129 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1gqo h GLU 129 Cb 0.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1gqo h GLU 129 CO 0.02 0.00 0.09 0.78 -1.18 0.00 0.00 179.01 178.72 1gqo h GLY 130 N 0.00 0.33 0.96 1.92 0.00 -1.24 -1.86 103.07 103.19 1gqo h GLY 130 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1gqo h GLY 130 CO -0.00 0.14 0.21 -0.97 0.00 0.00 0.00 176.54 175.91 1gqo h TYR 131 N 0.32 0.69 -0.46 5.60 -1.99 -1.64 -1.33 116.97 118.15 1gqo h TYR 131 Ca 0.08 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 1gqo h TYR 131 Cb 0.07 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 1gqo h TYR 131 CO 0.00 0.57 0.15 0.87 -0.00 0.00 0.00 178.16 179.76 1gqo h LYS 132 N 0.61 0.71 -0.85 4.88 1.57 -1.53 -0.84 116.57 121.11 1gqo h LYS 132 Ca 0.16 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1gqo h LYS 132 Cb 0.15 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1gqo h LYS 132 CO -0.02 0.67 0.52 -0.07 -0.57 0.00 0.00 179.45 179.98 1gqo h LEU 133 N 0.60 1.01 -0.65 2.94 3.38 -1.24 0.17 115.31 121.52 1gqo h LEU 133 Ca 0.15 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1gqo h LEU 133 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1gqo h LEU 133 CO -0.01 0.77 -0.48 0.00 0.09 0.00 0.00 178.44 178.82 1gqo h ALA 134 N 1.40 0.83 -0.57 1.53 0.00 -0.84 0.85 119.26 122.46 1gqo h ALA 134 Ca 0.31 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1gqo h ALA 134 Cb -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1gqo h ALA 134 CO -0.06 0.66 0.16 0.28 0.00 0.00 0.00 179.25 180.29 1gqo h VAL 135 N 0.39 1.24 -0.56 0.00 2.07 0.31 -0.92 116.25 118.79 1gqo h VAL 135 Ca 0.02 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1gqo h VAL 135 Cb 0.98 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1gqo h VAL 135 CO 0.09 0.32 0.29 0.03 0.02 0.00 0.00 177.57 178.31 1gqo h ARG 136 N 0.80 0.79 -0.04 1.57 3.08 -0.13 -1.02 114.38 119.43 1gqo h ARG 136 Ca 0.18 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.16 1gqo h ARG 136 Cb 0.31 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1gqo h ARG 136 CO -0.00 0.62 -0.22 -0.92 -1.07 0.00 0.00 179.97 178.38 1gqo h TYR 137 N 0.75 -0.57 -0.77 3.04 3.20 -0.36 -1.49 116.97 120.77 1gqo h TYR 137 Ca 0.19 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.18 1gqo h TYR 137 Cb 0.07 0.26 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 1gqo h TYR 137 CO -0.01 -0.30 0.42 -0.07 -1.64 0.00 0.00 178.16 176.56 1gqo h LEU 138 N -0.32 0.58 -0.25 2.82 4.07 -0.74 -0.68 115.31 120.78 1gqo h LEU 138 Ca 0.07 0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.11 1gqo h LEU 138 Cb 0.42 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.08 1gqo h LEU 138 CO -0.22 0.33 0.07 -0.07 -1.08 0.00 0.00 178.44 177.46 1gqo h LEU 139 N 0.70 0.05 -1.93 1.67 3.38 -0.95 1.04 115.31 119.28 1gqo h LEU 139 Ca 0.37 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.54 1gqo h LEU 139 Cb 0.37 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1gqo h LEU 139 CO -0.26 0.06 0.43 0.77 0.09 0.00 0.00 178.44 179.53 1gqo h SER 140 N 0.17 0.07 -0.00 -0.43 4.64 -0.23 -3.52 113.55 114.25 1gqo h SER 140 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1gqo h SER 140 Cb 0.10 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1gqo h SER 140 CO -0.13 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 175.86