#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqm h LYS 2 N 0.00 0.88 -0.28 -0.78 3.64 -2.06 -1.77 116.57 116.21 1gqm h LYS 2 Ca 0.00 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1gqm h LYS 2 Cb 0.00 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1gqm h LYS 2 CO 0.00 0.87 0.15 1.25 -2.27 0.00 0.00 179.45 179.45 1gqm h LEU 3 N 0.76 0.35 -1.77 5.20 6.46 -2.05 0.26 115.31 124.52 1gqm h LEU 3 Ca 0.16 -0.10 0.05 0.00 -0.12 0.00 0.00 57.88 57.86 1gqm h LEU 3 Cb 0.43 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1gqm h LEU 3 CO 0.01 0.35 0.24 -0.33 -0.62 0.00 0.00 178.44 178.10 1gqm h GLU 4 N 0.33 0.28 0.03 1.25 5.08 -1.98 -1.15 114.58 118.42 1gqm h GLU 4 Ca 0.10 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.20 1gqm h GLU 4 Cb 0.08 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1gqm h GLU 4 CO -0.01 0.19 -1.03 0.93 -1.00 0.00 0.00 179.01 178.08 1gqm h GLU 5 N 0.29 0.42 -0.42 2.33 5.08 -0.29 -1.28 114.58 120.71 1gqm h GLU 5 Ca 0.15 -0.50 -0.11 0.00 -1.00 0.00 0.00 59.36 57.90 1gqm h GLU 5 Cb 0.25 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1gqm h GLU 5 CO -0.03 1.16 -0.20 0.45 -1.00 0.00 0.00 179.01 179.39 1gqm h HIS 6 N 0.22 0.92 -0.23 4.33 3.86 0.09 0.26 115.15 124.60 1gqm h HIS 6 Ca -0.10 -0.20 -0.08 0.00 -1.16 0.00 0.00 60.37 58.82 1gqm h HIS 6 Cb 1.68 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 29.93 1gqm h HIS 6 CO 0.07 0.94 -0.17 -0.07 0.86 0.00 0.00 177.93 179.56 1gqm h LEU 7 N 0.72 0.55 -1.23 2.43 3.38 -1.17 -0.65 115.31 119.32 1gqm h LEU 7 Ca 0.10 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1gqm h LEU 7 Cb 0.71 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1gqm h LEU 7 CO 0.05 0.88 0.10 -0.08 0.09 0.00 0.00 178.44 179.49 1gqm h GLU 8 N 0.22 0.63 -0.53 1.13 4.81 -1.10 0.16 114.58 119.90 1gqm h GLU 8 Ca 0.04 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1gqm h GLU 8 Cb 0.70 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 1gqm h GLU 8 CO 0.05 0.58 0.21 0.78 -0.73 0.00 0.00 179.01 179.89 1gqm h GLY 9 N 0.84 0.72 1.08 1.92 0.00 0.03 -0.45 103.07 107.21 1gqm h GLY 9 Ca 0.14 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 1gqm h GLY 9 CO -0.00 0.02 -0.04 -2.22 0.00 0.00 0.00 176.54 174.30 1gqm h ILE 10 N 0.40 1.27 0.06 2.60 2.04 0.53 -0.88 117.51 123.53 1gqm h ILE 10 Ca 0.25 -1.19 0.01 0.00 1.00 0.00 0.00 64.86 64.93 1gqm h ILE 10 Cb 0.26 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1gqm h ILE 10 CO -0.24 0.43 -0.12 0.58 0.00 0.00 0.00 178.15 178.79 1gqm h VAL 11 N 0.95 0.71 -0.65 1.67 2.07 -0.98 -1.36 116.25 118.66 1gqm h VAL 11 Ca 0.16 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.76 1gqm h VAL 11 Cb 0.60 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 1gqm h VAL 11 CO 0.04 0.00 0.32 0.78 0.02 0.00 0.00 177.57 178.73 1gqm h ASN 12 N -0.24 0.43 -0.83 0.57 2.35 -0.78 -1.86 115.58 115.22 1gqm h ASN 12 Ca 0.02 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1gqm h ASN 12 Cb 0.26 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 1gqm h ASN 12 CO -0.08 0.26 0.55 0.40 -1.65 0.00 0.00 177.43 176.91 1gqm h ILE 13 N 0.58 1.19 -0.08 2.81 5.03 -0.57 -0.10 117.51 126.37 1gqm h ILE 13 Ca 0.31 -0.38 0.04 0.00 -0.12 0.00 0.00 64.86 64.71 1gqm h ILE 13 Cb 0.29 -0.01 -0.06 0.00 -3.03 0.00 0.00 36.82 34.01 1gqm h ILE 13 CO -0.24 0.20 -0.32 0.15 -0.68 0.00 0.00 178.15 177.27 1gqm h PHE 14 N 1.11 -0.87 -0.50 1.37 3.57 -0.50 -2.37 116.94 118.75 1gqm h PHE 14 Ca 0.31 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.87 1gqm h PHE 14 Cb -0.09 0.40 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1gqm h PHE 14 CO -0.02 -0.40 0.33 0.45 -2.23 0.00 0.00 178.31 176.44 1gqm h HIS 15 N -0.42 0.56 0.00 0.41 3.86 -0.59 0.14 115.15 119.11 1gqm h HIS 15 Ca 0.08 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1gqm h HIS 15 Cb 0.55 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1gqm h HIS 15 CO -0.38 0.34 0.25 0.37 0.86 0.00 0.00 177.93 179.36 1gqm h GLN 16 N 0.59 0.00 0.00 2.45 4.15 -0.51 -2.18 115.11 119.61 1gqm h GLN 16 Ca 0.19 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 1gqm h GLN 16 Cb 0.05 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 1gqm h GLN 16 CO -0.05 0.00 -1.13 0.66 -1.93 0.00 0.00 178.83 176.38 1gqm n TYR 17 N -2.93 0.00 0.14 3.99 4.01 0.34 -4.67 117.16 118.05 1gqm n TYR 17 Ca -0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.75 1gqm n TYR 17 Cb 0.30 -0.07 0.03 0.00 -0.31 0.00 0.00 39.34 39.30 1gqm n TYR 17 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1gqm h SER 18 N 0.00 0.00 1.70 7.72 4.64 -0.50 -3.31 113.55 123.81 1gqm h SER 18 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gqm h SER 18 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1gqm h SER 18 CO 0.00 0.45 -0.10 -0.37 -0.87 0.00 0.00 176.83 175.94 1gqm h VAL 19 N 0.00 0.00 -0.44 0.95 -1.51 -1.34 -3.38 116.25 110.54 1gqm h VAL 19 Ca -0.01 -0.80 0.09 0.00 -1.23 0.00 0.00 66.70 64.75 1gqm h VAL 19 Cb 1.35 1.75 -0.09 0.00 -2.13 0.00 0.00 31.29 32.17 1gqm h VAL 19 CO 0.06 0.00 -0.21 0.03 -1.23 0.00 0.00 177.57 176.22 1gqm h ARG 20 N 0.00 -0.12 -3.52 5.19 3.08 -1.84 -3.45 114.38 113.72 1gqm h ARG 20 Ca 0.00 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 1gqm h ARG 20 Cb 0.90 0.03 -0.18 0.00 0.08 0.00 0.00 29.97 30.80 1gqm h ARG 20 CO 0.00 -0.08 -0.39 0.15 -1.07 0.00 0.00 179.97 178.58 1gqm s LYS 21 N -6.13 0.67 3.30 0.04 1.02 -1.26 -5.12 119.74 112.25 1gqm s LYS 21 Ca -0.14 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1gqm s LYS 21 Cb 0.15 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.74 1gqm s LYS 21 CO 0.70 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.35 1gqm n GLY 22 N 0.81 0.26 3.70 -3.33 0.00 -1.26 -4.71 105.19 100.67 1gqm n GLY 22 Ca -0.19 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 1gqm n GLY 22 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1gqm n HIS 23 N 0.00 2.38 0.16 1.61 -0.00 -1.26 -4.90 115.22 113.21 1gqm n HIS 23 Ca 0.00 0.49 0.01 0.00 -0.00 0.00 0.00 57.72 58.22 1gqm n HIS 23 Cb 0.00 -2.45 0.32 0.00 -0.00 0.00 0.00 29.99 27.86 1gqm n HIS 23 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 1gqm h PHE 24 N 3.15 0.08 -0.23 1.57 0.04 -1.85 -3.22 116.94 116.49 1gqm h PHE 24 Ca -0.46 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1gqm h PHE 24 Cb 1.27 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1gqm h PHE 24 CO 0.53 0.43 0.00 -3.47 -0.60 0.00 0.00 178.31 175.20 1gqm n ASP 25 N -4.09 2.65 -4.28 2.17 -0.08 -1.26 -2.96 116.55 108.70 1gqm n ASP 25 Ca -0.02 -1.86 -0.15 0.00 -1.51 0.00 0.00 54.79 51.24 1gqm n ASP 25 Cb 0.42 -0.14 -0.10 0.00 2.34 0.00 0.00 41.12 43.63 1gqm n ASP 25 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1gqm s THR 26 N -1.72 1.28 -0.16 5.18 -4.23 -1.22 -4.47 115.64 110.31 1gqm s THR 26 Ca 0.35 -2.09 -0.06 0.00 -1.18 0.00 0.00 61.69 58.70 1gqm s THR 26 Cb 0.20 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 1gqm s THR 26 CO 0.30 -0.67 0.05 -0.76 -0.54 0.00 0.00 174.62 173.00 1gqm s LEU 27 N -3.21 3.79 0.41 4.79 1.43 0.25 -4.59 118.68 121.54 1gqm s LEU 27 Ca 0.19 0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.35 1gqm s LEU 27 Cb 0.02 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1gqm s LEU 27 CO 0.03 0.22 0.70 -0.94 0.23 0.00 0.00 176.35 176.58 1gqm s SER 28 N 0.09 6.35 0.25 2.29 1.04 -1.26 -0.29 113.70 122.16 1gqm s SER 28 Ca 0.05 0.84 -0.06 0.00 0.48 0.00 0.00 55.95 57.26 1gqm s SER 28 Cb -0.12 -2.20 0.46 0.00 0.10 0.00 0.00 66.02 64.26 1gqm s SER 28 CO 0.01 -0.42 1.65 0.50 0.98 0.00 0.00 173.24 175.96 1gqm h LYS 29 N 0.78 0.16 0.25 4.02 3.64 -1.99 0.33 116.57 123.76 1gqm h LYS 29 Ca -0.48 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1gqm h LYS 29 Cb 1.20 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1gqm h LYS 29 CO 0.63 0.10 -0.39 0.78 -2.27 0.00 0.00 179.45 178.30 1gqm h GLY 30 N 0.16 -0.86 0.36 5.01 0.00 -1.97 0.75 103.07 106.53 1gqm h GLY 30 Ca 0.42 0.46 0.11 0.00 0.00 0.00 0.00 47.33 48.32 1gqm h GLY 30 CO -0.61 -0.29 0.31 0.83 0.00 0.00 0.00 176.54 176.78 1gqm h GLU 31 N -0.71 0.49 -0.87 4.80 5.08 -1.02 -1.28 114.58 121.06 1gqm h GLU 31 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1gqm h GLU 31 Cb 0.69 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1gqm h GLU 31 CO -0.15 0.32 0.50 1.25 -1.00 0.00 0.00 179.01 179.93 1gqm h LEU 32 N 0.50 1.06 -1.02 1.33 5.85 0.04 -0.97 115.31 122.11 1gqm h LEU 32 Ca 0.36 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.04 1gqm h LEU 32 Cb 0.45 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 1gqm h LEU 32 CO -0.32 0.84 0.65 0.50 -0.34 0.00 0.00 178.44 179.77 1gqm h LYS 33 N 1.20 1.20 0.74 1.25 3.64 0.27 0.62 116.57 125.49 1gqm h LYS 33 Ca 0.31 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1gqm h LYS 33 Cb -0.01 -0.27 0.01 0.00 -0.41 0.00 0.00 32.23 31.54 1gqm h LYS 33 CO -0.05 0.80 -0.35 1.96 -2.27 0.00 0.00 179.45 179.53 1gqm h GLN 34 N 1.24 -0.95 -0.85 1.90 4.20 -0.59 -2.13 115.11 117.92 1gqm h GLN 34 Ca 0.41 0.06 0.18 0.00 0.06 0.00 0.00 58.65 59.37 1gqm h GLN 34 Cb 0.05 0.22 -0.11 0.00 0.30 0.00 0.00 27.48 27.94 1gqm h GLN 34 CO -0.14 -0.64 0.38 1.25 -0.67 0.00 0.00 178.83 179.01 1gqm h LEU 35 N -1.09 0.36 0.02 1.46 6.46 -0.78 -1.81 115.31 119.92 1gqm h LEU 35 Ca -0.10 0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1gqm h LEU 35 Cb 0.76 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1gqm h LEU 35 CO 0.17 0.08 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.99 1gqm h LEU 36 N 0.46 -0.02 -1.61 2.25 3.38 -0.77 0.13 115.31 119.13 1gqm h LEU 36 Ca 0.50 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1gqm h LEU 36 Cb 0.85 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1gqm h LEU 36 CO -0.46 0.31 -0.09 0.71 0.09 0.00 0.00 178.44 179.00 1gqm h THR 37 N -0.36 0.28 0.00 0.22 1.35 -0.65 0.13 112.91 113.88 1gqm h THR 37 Ca -0.00 -0.64 -0.37 0.00 -0.55 0.00 0.00 66.41 64.85 1gqm h THR 37 Cb 0.34 1.50 -0.06 0.00 -1.73 0.00 0.00 68.15 68.20 1gqm h THR 37 CO 0.00 0.09 -2.34 1.17 -0.25 0.00 0.00 175.52 174.19 1gqm n LYS 38 N -3.29 0.57 0.06 4.72 4.81 -0.91 -4.17 118.16 119.94 1gqm n LYS 38 Ca -0.00 0.16 -0.12 0.00 -0.87 0.00 0.00 58.31 57.48 1gqm n LYS 38 Cb 0.30 -1.44 -0.02 0.00 0.02 0.00 0.00 35.03 33.89 1gqm n LYS 38 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1gqm h GLU 39 N -0.24 0.43 -0.28 1.64 4.39 -0.71 -3.34 114.58 116.47 1gqm h GLU 39 Ca -0.55 -0.41 -0.12 0.00 0.34 0.00 0.00 59.36 58.62 1gqm h GLU 39 Cb 1.74 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 30.42 1gqm h GLU 39 CO -0.16 1.06 -0.11 1.28 -1.16 0.00 0.00 179.01 179.92 1gqm n LEU 40 N -3.79 3.83 -0.09 1.33 4.32 0.46 -4.75 117.00 118.31 1gqm n LEU 40 Ca -0.06 -3.63 0.04 0.00 -0.02 0.00 0.00 56.01 52.34 1gqm n LEU 40 Cb 0.78 -0.60 0.38 0.00 -1.62 0.00 0.00 43.42 42.36 1gqm n LEU 40 CO 0.50 1.15 1.19 0.00 -1.22 0.00 0.00 177.39 179.01 1gqm h ALA 41 N 1.06 1.69 -0.66 -1.18 0.00 -1.68 -2.01 119.26 116.48 1gqm h ALA 41 Ca 0.15 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1gqm h ALA 41 Cb 1.52 -0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.98 1gqm h ALA 41 CO 0.30 0.26 0.24 0.09 0.00 0.00 0.00 179.25 180.14 1gqm n ASN 42 N -4.46 4.22 0.00 0.00 3.02 -1.26 -4.50 115.26 112.28 1gqm n ASN 42 Ca 0.06 -3.34 0.00 0.00 -0.03 0.00 0.00 54.58 51.27 1gqm n ASN 42 Cb 0.11 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 1gqm n ASN 42 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1gqm n THR 43 N -0.49 0.00 -4.70 3.41 -1.04 -0.77 -5.02 114.28 105.67 1gqm n THR 43 Ca 0.40 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 62.08 1gqm n THR 43 Cb 1.32 -0.44 -0.14 0.00 -1.82 0.00 0.00 70.33 69.25 1gqm n THR 43 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1gqm s ILE 44 N -1.55 3.19 0.33 12.58 1.01 -1.16 -4.85 121.20 130.75 1gqm s ILE 44 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 1gqm s ILE 44 Cb 0.00 -2.35 -0.12 0.00 0.01 0.00 0.00 42.46 40.00 1gqm s ILE 44 CO 0.00 0.52 1.35 1.17 0.00 0.00 0.00 174.94 177.98 1gqm n LYS 45 N 3.55 2.22 -1.42 2.79 4.81 -1.26 -2.10 118.16 126.74 1gqm n LYS 45 Ca -0.18 0.78 -0.14 0.00 -0.87 0.00 0.00 58.31 57.90 1gqm n LYS 45 Cb 0.53 -2.40 -0.06 0.00 0.02 0.00 0.00 35.03 33.11 1gqm n LYS 45 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1gqm n ASN 46 N 1.05 -3.74 0.06 3.14 5.03 -1.26 -4.71 115.26 114.82 1gqm n ASN 46 Ca 0.06 0.35 0.02 0.00 0.87 0.00 0.00 54.58 55.88 1gqm n ASN 46 Cb 0.36 -3.46 0.11 0.00 -1.02 0.00 0.00 39.78 35.77 1gqm n ASN 46 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gqm n ILE 47 N -1.95 0.85 1.14 2.41 0.13 -0.89 0.03 119.36 121.08 1gqm n ILE 47 Ca -0.14 0.59 0.13 0.00 -1.10 0.00 0.00 62.75 62.22 1gqm n ILE 47 Cb 0.47 -1.59 0.34 0.00 -0.84 0.00 0.00 39.64 38.02 1gqm n ILE 47 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1gqm n LYS 48 N -1.53 0.43 -3.20 9.51 4.76 -1.26 -4.61 118.16 122.27 1gqm n LYS 48 Ca -0.00 -0.24 -0.39 0.00 -2.87 0.00 0.00 58.31 54.81 1gqm n LYS 48 Cb 0.29 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.93 1gqm n LYS 48 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1gqm s ASP 49 N -2.74 6.95 0.32 4.39 1.01 0.10 -4.95 116.67 121.76 1gqm s ASP 49 Ca 0.18 1.13 0.08 0.00 0.71 0.00 0.00 52.55 54.66 1gqm s ASP 49 Cb 0.18 -2.36 0.92 0.00 1.01 0.00 0.00 42.92 42.67 1gqm s ASP 49 CO 0.60 0.07 1.64 0.50 0.21 0.00 0.00 175.17 178.18 1gqm h LYS 50 N 5.84 0.19 -0.62 8.23 3.64 -1.89 -1.27 116.57 130.69 1gqm h LYS 50 Ca -0.44 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.85 1gqm h LYS 50 Cb 1.20 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1gqm h LYS 50 CO 0.71 0.13 0.08 0.00 -2.27 0.00 0.00 179.45 178.09 1gqm h ALA 51 N 1.85 0.96 -0.20 5.00 0.00 -1.94 -1.74 119.26 123.19 1gqm h ALA 51 Ca 0.65 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 1gqm h ALA 51 Cb 1.45 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1gqm h ALA 51 CO -0.68 0.65 -0.18 0.28 0.00 0.00 0.00 179.25 179.31 1gqm h VAL 52 N 0.97 1.33 -0.79 0.00 2.07 -1.54 -1.25 116.25 117.04 1gqm h VAL 52 Ca 0.19 -1.33 0.09 0.00 0.82 0.00 0.00 66.70 66.47 1gqm h VAL 52 Cb 0.45 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 1gqm h VAL 52 CO 0.01 0.41 0.44 0.40 0.02 0.00 0.00 177.57 178.85 1gqm h ILE 53 N 0.16 0.90 0.45 4.57 2.04 -1.23 -0.59 117.51 123.81 1gqm h ILE 53 Ca 0.03 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1gqm h ILE 53 Cb 0.72 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1gqm h ILE 53 CO 0.05 0.13 -0.22 -0.78 0.00 0.00 0.00 178.15 177.34 1gqm h ASP 54 N 0.74 -0.51 -0.79 1.72 1.82 -1.09 -2.35 116.42 115.96 1gqm h ASP 54 Ca 0.38 -0.04 0.16 0.00 -0.39 0.00 0.00 57.03 57.14 1gqm h ASP 54 Cb 0.35 0.13 -0.10 0.00 0.68 0.00 0.00 39.33 40.39 1gqm h ASP 54 CO -0.25 -0.28 0.31 -0.08 -1.61 0.00 0.00 179.24 177.34 1gqm h GLU 55 N -0.71 0.42 -0.44 0.28 4.81 -0.63 0.15 114.58 118.46 1gqm h GLU 55 Ca -0.06 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 1gqm h GLU 55 Cb 0.52 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1gqm h GLU 55 CO 0.10 0.28 -0.05 0.82 -0.73 0.00 0.00 179.01 179.43 1gqm h ILE 56 N 0.43 1.27 -0.11 2.32 2.04 -1.01 -2.09 117.51 120.37 1gqm h ILE 56 Ca 0.45 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 1gqm h ILE 56 Cb 0.72 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1gqm h ILE 56 CO -0.44 0.38 0.05 0.15 0.00 0.00 0.00 178.15 178.30 1gqm h PHE 57 N 0.64 0.15 -0.00 1.37 3.57 -0.40 -0.90 116.94 121.38 1gqm h PHE 57 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1gqm h PHE 57 Cb 0.57 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1gqm h PHE 57 CO 0.04 0.21 0.01 1.96 -2.23 0.00 0.00 178.31 178.31 1gqm h GLN 58 N 0.05 0.00 0.19 1.11 1.08 -0.71 -2.30 115.11 114.52 1gqm h GLN 58 Ca 0.04 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.93 1gqm h GLN 58 Cb 0.12 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1gqm h GLN 58 CO -0.00 0.00 -1.46 0.78 -0.95 0.00 0.00 178.83 177.20 1gqm h GLY 59 N 0.00 0.46 2.00 3.46 0.00 -0.51 -3.34 103.07 105.14 1gqm h GLY 59 Ca 0.00 -1.17 -0.08 0.00 0.00 0.00 0.00 47.33 46.09 1gqm h GLY 59 CO -0.00 1.02 -0.37 1.41 0.00 0.00 0.00 176.54 178.61 1gqm h LEU 60 N -0.04 0.00 -5.42 3.11 3.38 -0.84 -3.35 115.31 112.15 1gqm h LEU 60 Ca -0.28 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 56.98 1gqm h LEU 60 Cb 1.99 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.65 1gqm h LEU 60 CO 0.18 0.37 2.73 -0.67 0.09 0.00 0.00 178.44 181.14 1gqm n ASP 61 N -3.47 8.19 -0.40 -0.43 2.03 -0.90 -4.77 116.55 116.79 1gqm n ASP 61 Ca 0.00 -2.98 0.37 0.00 0.52 0.00 0.00 54.79 52.70 1gqm n ASP 61 Cb 0.52 -1.41 0.72 0.00 -0.72 0.00 0.00 41.12 40.24 1gqm n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gqm h ALA 62 N 4.65 3.10 -0.33 -1.67 0.00 -1.84 0.90 119.26 124.07 1gqm h ALA 62 Ca 0.74 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1gqm h ALA 62 Cb 0.32 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1gqm h ALA 62 CO 1.53 -1.51 0.00 0.27 0.00 0.00 0.00 179.25 179.54 1gqm n ASN 63 N -4.24 2.97 -1.90 0.00 6.94 -1.26 -4.96 115.26 112.81 1gqm n ASN 63 Ca 0.30 -1.92 -0.19 0.00 -0.02 0.00 0.00 54.58 52.74 1gqm n ASN 63 Cb 1.34 -0.21 -0.04 0.00 -2.36 0.00 0.00 39.78 38.51 1gqm n ASN 63 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gqm n GLN 64 N 1.18 -1.45 -0.56 -3.83 1.13 0.31 -4.86 117.38 109.30 1gqm n GLN 64 Ca 0.18 1.02 0.01 0.00 -1.94 0.00 0.00 57.00 56.28 1gqm n GLN 64 Cb 0.53 -5.49 0.22 0.00 0.11 0.00 0.00 30.24 25.61 1gqm n GLN 64 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1gqm n ASP 65 N -1.43 3.76 -1.94 1.08 5.75 -1.26 -4.86 116.55 117.64 1gqm n ASP 65 Ca -0.21 -2.61 -0.06 0.00 -0.01 0.00 0.00 54.79 51.89 1gqm n ASP 65 Cb 0.65 -0.63 -0.01 0.00 -1.03 0.00 0.00 41.12 40.11 1gqm n ASP 65 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1gqm n GLU 66 N 0.24 -2.00 -4.15 0.11 -0.58 -1.26 -4.94 120.64 108.06 1gqm n GLU 66 Ca 0.19 0.34 -0.16 0.00 -0.42 0.00 0.00 57.16 57.12 1gqm n GLU 66 Cb 0.87 -4.72 -0.11 0.00 -0.57 0.00 0.00 31.44 26.91 1gqm n GLU 66 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1gqm s GLN 67 N -4.00 0.76 -0.30 3.49 -1.52 -1.26 -4.37 119.66 112.45 1gqm s GLN 67 Ca 0.00 -0.97 -0.05 0.00 -1.95 0.00 0.00 55.36 52.39 1gqm s GLN 67 Cb 0.00 -0.61 0.03 0.00 -0.22 0.00 0.00 33.01 32.21 1gqm s GLN 67 CO 0.00 0.12 0.05 0.08 -0.25 0.00 0.00 175.29 175.29 1gqm s VAL 68 N -1.67 3.53 0.71 1.09 1.01 0.60 -4.66 120.40 121.02 1gqm s VAL 68 Ca -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 1gqm s VAL 68 Cb -0.08 -2.92 0.12 0.00 0.00 0.00 0.00 36.38 33.50 1gqm s VAL 68 CO 0.01 -0.03 0.99 1.51 0.00 0.00 0.00 175.10 177.58 1gqm s ASP 69 N 1.39 4.40 0.08 3.32 1.47 -1.26 -0.58 116.67 125.48 1gqm s ASP 69 Ca -0.01 -0.28 -0.23 0.00 1.18 0.00 0.00 52.55 53.21 1gqm s ASP 69 Cb -0.18 -0.14 -0.15 0.00 -0.34 0.00 0.00 42.92 42.10 1gqm s ASP 69 CO 0.01 -1.82 1.69 0.15 0.68 0.00 0.00 175.17 175.87 1gqm h PHE 70 N -0.52 0.02 -0.86 2.11 3.57 -2.00 0.19 116.94 119.45 1gqm h PHE 70 Ca -0.37 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.24 1gqm h PHE 70 Cb 1.27 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.92 1gqm h PHE 70 CO -0.16 0.07 0.49 0.37 -2.23 0.00 0.00 178.31 176.85 1gqm h GLN 71 N -0.04 0.74 -0.61 1.11 5.75 -1.98 0.21 115.11 120.29 1gqm h GLN 71 Ca 0.01 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 1gqm h GLN 71 Cb 0.06 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 1gqm h GLN 71 CO -0.00 0.49 0.19 0.93 -2.65 0.00 0.00 178.83 177.79 1gqm h GLU 72 N 0.76 0.92 -0.70 1.69 5.08 -1.65 -2.76 114.58 117.92 1gqm h GLU 72 Ca 0.44 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1gqm h GLU 72 Cb 0.49 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1gqm h GLU 72 CO -0.29 0.79 0.37 0.35 -1.00 0.00 0.00 179.01 179.23 1gqm h PHE 73 N 0.90 0.97 -0.95 4.33 3.04 0.24 -2.87 116.94 122.59 1gqm h PHE 73 Ca 0.20 -0.02 0.25 0.00 3.98 0.00 0.00 57.97 62.38 1gqm h PHE 73 Cb 0.25 -0.31 -0.06 0.00 2.56 0.00 0.00 35.95 38.40 1gqm h PHE 73 CO 0.02 0.68 0.65 0.82 -2.02 0.00 0.00 178.31 178.46 1gqm h ILE 74 N 0.98 0.58 -0.38 1.41 2.04 -0.88 0.95 117.51 122.21 1gqm h ILE 74 Ca 0.25 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.99 1gqm h ILE 74 Cb 0.05 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1gqm h ILE 74 CO -0.04 0.04 0.04 0.28 0.00 0.00 0.00 178.15 178.47 1gqm h SER 75 N 0.22 0.55 -0.16 1.72 0.02 -1.64 -1.50 113.55 112.76 1gqm h SER 75 Ca 0.49 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 1gqm h SER 75 Cb 1.53 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 1gqm h SER 75 CO -0.12 0.59 0.05 0.25 -1.14 0.00 0.00 176.83 176.46 1gqm h LEU 76 N 0.57 0.24 -1.15 5.07 5.85 0.79 -1.79 115.31 124.89 1gqm h LEU 76 Ca 0.12 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.73 1gqm h LEU 76 Cb 0.31 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.21 1gqm h LEU 76 CO 0.01 0.39 0.59 0.58 -0.34 0.00 0.00 178.44 179.67 1gqm h VAL 77 N 0.08 0.98 0.46 1.05 2.07 -1.07 0.18 116.25 120.00 1gqm h VAL 77 Ca 0.05 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1gqm h VAL 77 Cb 0.24 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1gqm h VAL 77 CO -0.00 0.17 -0.30 0.00 0.02 0.00 0.00 177.57 177.46 1gqm h ALA 78 N 1.54 -0.73 -0.60 1.67 0.00 -0.69 0.86 119.26 121.31 1gqm h ALA 78 Ca 0.42 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.30 1gqm h ALA 78 Cb 0.38 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1gqm h ALA 78 CO -0.19 -0.93 0.16 0.82 0.00 0.00 0.00 179.25 179.12 1gqm h ILE 79 N -0.73 0.68 -0.14 0.00 2.04 -0.45 -1.89 117.51 117.03 1gqm h ILE 79 Ca -0.05 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1gqm h ILE 79 Cb 0.60 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1gqm h ILE 79 CO 0.04 0.06 0.07 0.00 0.00 0.00 0.00 178.15 178.32 1gqm h ALA 80 N 1.45 0.18 -0.52 1.87 0.00 -0.05 -1.39 119.26 120.81 1gqm h ALA 80 Ca 0.31 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1gqm h ALA 80 Cb 0.44 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1gqm h ALA 80 CO -0.37 -0.28 0.21 -0.07 0.00 0.00 0.00 179.25 178.75 1gqm h LEU 81 N 0.12 0.25 -0.54 0.00 3.38 0.10 0.10 115.31 118.72 1gqm h LEU 81 Ca 0.05 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1gqm h LEU 81 Cb 0.08 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1gqm h LEU 81 CO -0.01 0.17 0.25 0.50 0.09 0.00 0.00 178.44 179.44 1gqm h LYS 82 N 0.41 0.46 -0.38 1.13 3.64 -0.87 -0.09 116.57 120.86 1gqm h LYS 82 Ca 0.25 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1gqm h LYS 82 Cb 0.24 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1gqm h LYS 82 CO -0.23 0.31 0.05 0.00 -2.27 0.00 0.00 179.45 177.31 1gqm h ALA 83 N 1.32 0.51 -0.79 5.00 0.00 -0.23 -1.68 119.26 123.39 1gqm h ALA 83 Ca 0.25 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1gqm h ALA 83 Cb 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1gqm h ALA 83 CO -0.20 0.23 0.29 0.00 0.00 0.00 0.00 179.25 179.57 1gqm h ALA 84 N 0.91 1.03 0.00 0.00 0.00 -0.26 -0.93 119.26 120.02 1gqm h ALA 84 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1gqm h ALA 84 Cb 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1gqm h ALA 84 CO 0.01 0.67 -0.21 1.25 0.00 0.00 0.00 179.25 180.97 1gqm h HIS 85 N 1.15 0.00 -0.02 0.00 -0.00 -0.76 -2.63 115.15 112.89 1gqm h HIS 85 Ca 0.26 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.46 1gqm h HIS 85 Cb 0.24 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.67 1gqm h HIS 85 CO 0.02 0.21 -0.66 -0.92 -0.00 0.00 0.00 177.93 176.58 1gqm h TYR 86 N 0.00 0.71 -0.33 5.26 3.20 -0.34 -3.21 116.97 122.25 1gqm h TYR 86 Ca -0.00 -0.37 0.07 0.00 3.14 0.00 0.00 58.73 61.56 1gqm h TYR 86 Cb 0.61 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.73 1gqm h TYR 86 CO 0.00 1.19 -0.07 0.45 -1.64 0.00 0.00 178.16 178.08 1gqm h HIS 87 N 0.03 -0.15 0.00 -3.82 3.86 -0.97 -3.51 115.15 110.59 1gqm h HIS 87 Ca -0.08 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1gqm h HIS 87 Cb 1.35 0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.94 1gqm h HIS 87 CO 0.13 -0.13 0.00 0.25 0.86 0.00 0.00 177.93 179.04