#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 -0.89 -0.33 -0.78 1.63 -2.06 -1.53 116.57 112.62 1gqm h LYS 2 Ca 0.00 0.06 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 1gqm h LYS 2 Cb 0.00 0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.79 1gqm h LYS 2 CO 0.00 -0.56 0.08 1.25 -3.45 0.00 0.00 179.45 176.77 1gqm h LEU 3 N -1.09 0.04 -2.02 5.20 5.85 -2.06 0.12 115.31 121.36 1gqm h LEU 3 Ca -0.09 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1gqm h LEU 3 Cb 0.74 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1gqm h LEU 3 CO 0.15 0.06 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.98 1gqm h GLU 4 N 0.20 0.00 0.39 1.25 5.08 -1.99 -1.69 114.58 117.81 1gqm h GLU 4 Ca 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1gqm h GLU 4 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1gqm h GLU 4 CO -0.19 0.01 -0.19 0.93 -1.00 0.00 0.00 179.01 178.58 1gqm h GLU 5 N 0.00 -0.50 -0.32 2.33 5.08 0.06 -0.08 114.58 121.15 1gqm h GLU 5 Ca -0.00 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1gqm h GLU 5 Cb 0.02 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1gqm h GLU 5 CO 0.00 -0.22 0.01 0.45 -1.00 0.00 0.00 179.01 178.26 1gqm h HIS 6 N -0.75 0.00 -0.39 4.33 3.86 -0.72 0.28 115.15 121.76 1gqm h HIS 6 Ca -0.05 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1gqm h HIS 6 Cb 0.52 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 1gqm h HIS 6 CO 0.00 -0.04 0.22 -0.07 0.86 0.00 0.00 177.93 178.90 1gqm h LEU 7 N 0.11 0.36 -1.44 2.43 3.38 -1.21 0.27 115.31 119.20 1gqm h LEU 7 Ca 0.15 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1gqm h LEU 7 Cb 0.20 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1gqm h LEU 7 CO -0.25 0.26 0.50 -0.08 0.09 0.00 0.00 178.44 178.96 1gqm h GLU 8 N 0.46 0.59 -0.09 1.13 4.81 -0.39 -1.17 114.58 119.93 1gqm h GLU 8 Ca 0.16 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1gqm h GLU 8 Cb 0.02 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1gqm h GLU 8 CO -0.08 0.39 -0.13 0.78 -0.73 0.00 0.00 179.01 179.24 1gqm h GLY 9 N 0.61 -0.09 1.01 1.92 0.00 0.30 -0.30 103.07 106.53 1gqm h GLY 9 Ca 0.36 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1gqm h GLY 9 CO -0.13 -0.14 0.56 -2.22 0.00 0.00 0.00 176.54 174.62 1gqm h ILE 10 N -0.18 1.23 -0.14 2.60 2.04 0.10 -0.23 117.51 122.93 1gqm h ILE 10 Ca 0.08 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1gqm h ILE 10 Cb 0.29 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1gqm h ILE 10 CO -0.20 0.23 0.07 0.58 0.00 0.00 0.00 178.15 178.84 1gqm h VAL 11 N 1.21 1.12 -0.27 1.67 2.07 -1.11 -1.48 116.25 119.46 1gqm h VAL 11 Ca 0.32 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1gqm h VAL 11 Cb -0.10 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 1gqm h VAL 11 CO -0.07 0.11 -0.48 0.78 0.02 0.00 0.00 177.57 177.93 1gqm h ASN 12 N 0.11 -1.55 -0.85 0.57 2.35 -0.21 0.19 115.58 116.18 1gqm h ASN 12 Ca 0.05 0.21 0.14 0.00 -0.55 0.00 0.00 56.30 56.14 1gqm h ASN 12 Cb 0.11 0.64 -0.09 0.00 0.05 0.00 0.00 38.32 39.03 1gqm h ASN 12 CO -0.01 -0.42 0.45 0.40 -1.65 0.00 0.00 177.43 176.20 1gqm h ILE 13 N -0.45 0.77 0.08 2.81 5.03 -1.00 0.22 117.51 124.98 1gqm h ILE 13 Ca 0.08 -0.23 0.01 0.00 -0.12 0.00 0.00 64.86 64.61 1gqm h ILE 13 Cb 0.62 0.04 -0.02 0.00 -3.03 0.00 0.00 36.82 34.44 1gqm h ILE 13 CO -0.50 0.12 -0.15 0.15 -0.68 0.00 0.00 178.15 177.10 1gqm h PHE 14 N 0.67 -0.38 0.00 1.37 3.57 -0.15 -2.26 116.94 119.75 1gqm h PHE 14 Ca 0.45 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.90 1gqm h PHE 14 Cb 0.59 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1gqm h PHE 14 CO -0.08 -0.22 -0.27 0.45 -2.23 0.00 0.00 178.31 175.96 1gqm h HIS 15 N -0.29 0.00 -0.69 0.41 3.86 0.72 -0.22 115.15 118.94 1gqm h HIS 15 Ca 0.02 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1gqm h HIS 15 Cb 0.31 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 1gqm h HIS 15 CO -0.16 0.27 0.46 0.37 0.86 0.00 0.00 177.93 179.72 1gqm h GLN 16 N 0.00 0.69 0.00 2.45 4.15 -0.06 -2.25 115.11 120.09 1gqm h GLN 16 Ca -0.00 -0.04 -0.31 0.00 0.77 0.00 0.00 58.65 59.06 1gqm h GLN 16 Cb 0.60 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 1gqm h GLN 16 CO 0.03 0.45 -1.89 0.66 -1.93 0.00 0.00 178.83 176.15 1gqm n TYR 17 N -4.48 0.74 -0.05 3.99 4.01 -0.29 -4.49 117.16 116.60 1gqm n TYR 17 Ca 0.10 0.27 -0.02 0.00 -0.16 0.00 0.00 57.90 58.09 1gqm n TYR 17 Cb 0.23 -1.14 0.23 0.00 -0.31 0.00 0.00 39.34 38.35 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 0.61 -0.01 7.72 4.64 -0.50 -2.89 113.55 123.12 1gqm h SER 18 Ca -0.36 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1gqm h SER 18 Cb 2.07 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 1gqm h SER 18 CO 0.07 0.69 0.00 1.33 -0.87 0.00 0.00 176.83 178.04 1gqm n VAL 19 N -4.24 0.01 0.08 0.95 0.24 -1.10 -4.11 118.33 110.16 1gqm n VAL 19 Ca 0.02 -0.07 -0.04 0.00 -2.04 0.00 0.00 64.34 62.21 1gqm n VAL 19 Cb 0.27 -0.21 0.17 0.00 -1.47 0.00 0.00 33.84 32.60 1gqm n VAL 19 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gqm h ARG 20 N 0.59 0.27 -3.02 7.34 3.08 -1.77 -3.46 114.38 117.41 1gqm h ARG 20 Ca 0.00 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 1gqm h ARG 20 Cb 0.13 0.01 -0.19 0.00 0.08 0.00 0.00 29.97 30.00 1gqm h ARG 20 CO 0.00 0.71 -0.21 0.15 -1.07 0.00 0.00 179.97 179.55 1gqm s LYS 21 N -3.98 0.77 4.05 0.04 1.02 -1.26 -5.11 119.74 115.27 1gqm s LYS 21 Ca -0.04 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1gqm s LYS 21 Cb 0.13 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.78 1gqm s LYS 21 CO 0.79 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 1gqm n GLY 22 N 0.97 2.19 3.72 -3.33 0.00 -1.26 -4.60 105.19 102.88 1gqm n GLY 22 Ca -0.20 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1gqm n GLY 22 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1gqm n HIS 23 N 10.94 2.51 0.30 1.61 8.25 -1.26 -4.85 115.22 132.73 1gqm n HIS 23 Ca 0.00 0.49 0.14 0.00 -0.26 0.00 0.00 57.72 58.09 1gqm n HIS 23 Cb 0.00 -2.47 0.36 0.00 1.12 0.00 0.00 29.99 29.01 1gqm n HIS 23 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1gqm h PHE 24 N 2.97 0.00 0.00 4.41 0.04 -1.81 -3.27 116.94 119.28 1gqm h PHE 24 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1gqm h PHE 24 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1gqm h PHE 24 CO 0.52 0.00 -0.39 -3.47 -0.60 0.00 0.00 178.31 174.37 1gqm n ASP 25 N -2.93 0.49 -4.01 2.17 -0.08 -1.26 -3.25 116.55 107.68 1gqm n ASP 25 Ca 0.03 0.09 -0.08 0.00 -1.51 0.00 0.00 54.79 53.33 1gqm n ASP 25 Cb 0.44 -0.03 -0.09 0.00 2.34 0.00 0.00 41.12 43.78 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 -3.06 0.18 -0.08 5.18 -4.23 -1.23 -4.54 115.64 107.86 1gqm s THR 26 Ca 0.10 -1.58 -0.14 0.00 -1.18 0.00 0.00 61.69 58.89 1gqm s THR 26 Cb 0.16 -1.51 -0.05 0.00 1.34 0.00 0.00 72.50 72.44 1gqm s THR 26 CO 0.66 -0.81 0.34 -0.76 -0.54 0.00 0.00 174.62 173.51 1gqm s LEU 27 N -2.91 4.37 0.49 4.79 1.43 -0.85 -4.68 118.68 121.33 1gqm s LEU 27 Ca 0.08 0.74 0.04 0.00 -1.03 0.00 0.00 54.13 53.96 1gqm s LEU 27 Cb 0.07 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.85 1gqm s LEU 27 CO -0.09 0.23 0.68 -0.94 0.23 0.00 0.00 176.35 176.47 1gqm s SER 28 N -0.43 5.48 0.26 2.29 1.04 -1.26 -1.14 113.70 119.94 1gqm s SER 28 Ca 0.21 -0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 1gqm s SER 28 Cb -0.15 -0.87 0.54 0.00 0.10 0.00 0.00 66.02 65.64 1gqm s SER 28 CO 0.09 -0.94 1.65 0.50 0.98 0.00 0.00 173.24 175.52 1gqm h LYS 29 N 0.33 0.18 -0.25 4.02 3.64 -1.99 0.45 116.57 122.95 1gqm h LYS 29 Ca -0.42 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1gqm h LYS 29 Cb 1.29 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1gqm h LYS 29 CO 0.50 0.12 0.12 0.78 -2.27 0.00 0.00 179.45 178.70 1gqm h GLY 30 N 0.18 0.39 1.01 5.01 0.00 -1.98 0.50 103.07 108.18 1gqm h GLY 30 Ca 0.46 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.61 1gqm h GLY 30 CO -0.62 0.18 0.64 0.83 0.00 0.00 0.00 176.54 177.57 1gqm h GLU 31 N 0.27 1.28 -0.31 4.80 5.08 -1.41 -2.09 114.58 122.21 1gqm h GLU 31 Ca 0.09 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1gqm h GLU 31 Cb 0.12 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1gqm h GLU 31 CO -0.01 0.85 -0.31 1.25 -1.00 0.00 0.00 179.01 179.79 1gqm h LEU 32 N 1.32 0.67 -0.40 1.33 5.85 0.44 -1.22 115.31 123.31 1gqm h LEU 32 Ca 0.35 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1gqm h LEU 32 Cb -0.14 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 1gqm h LEU 32 CO -0.08 0.94 0.23 0.50 -0.34 0.00 0.00 178.44 179.69 1gqm h LYS 33 N 0.55 0.45 0.28 1.25 3.64 0.42 0.61 116.57 123.78 1gqm h LYS 33 Ca 0.06 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1gqm h LYS 33 Cb 0.81 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1gqm h LYS 33 CO 0.07 0.30 -0.17 1.96 -2.27 0.00 0.00 179.45 179.33 1gqm h GLN 34 N 0.46 -0.42 -0.37 1.90 4.20 -0.84 0.73 115.11 120.77 1gqm h GLN 34 Ca 0.16 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.95 1gqm h GLN 34 Cb 0.01 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1gqm h GLN 34 CO -0.08 -0.28 0.09 1.25 -0.67 0.00 0.00 178.83 179.14 1gqm h LEU 35 N -0.44 0.05 0.49 1.46 6.46 -0.98 -0.43 115.31 121.92 1gqm h LEU 35 Ca -0.03 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1gqm h LEU 35 Cb 0.37 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1gqm h LEU 35 CO 0.03 0.06 -0.48 -0.07 -0.62 0.00 0.00 178.44 177.37 1gqm h LEU 36 N 0.22 -1.30 -0.63 2.25 3.38 -0.60 0.96 115.31 119.59 1gqm h LEU 36 Ca 0.17 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1gqm h LEU 36 Cb 0.19 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1gqm h LEU 36 CO -0.21 -0.64 0.37 0.71 0.09 0.00 0.00 178.44 178.76 1gqm h THR 37 N -0.96 1.19 0.12 0.22 1.35 -0.25 -1.63 112.91 112.94 1gqm h THR 37 Ca -0.06 -0.44 -0.30 0.00 -0.55 0.00 0.00 66.41 65.07 1gqm h THR 37 Cb 0.84 0.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1gqm h THR 37 CO -0.06 0.20 -1.46 0.07 -0.25 0.00 0.00 175.52 174.02 1gqm h LYS 38 N 0.86 0.26 0.06 4.72 -0.00 -1.09 -3.34 116.57 118.04 1gqm h LYS 38 Ca 0.22 -0.45 -0.28 0.00 -0.00 0.00 0.00 60.65 60.15 1gqm h LYS 38 Cb -0.00 0.17 -0.02 0.00 -0.00 0.00 0.00 32.23 32.37 1gqm h LYS 38 CO -0.04 1.14 -1.43 0.93 -0.00 0.00 0.00 179.45 180.05 1gqm h GLU 39 N 0.07 0.12 -0.10 0.07 4.39 -0.75 -3.37 114.58 115.01 1gqm h GLU 39 Ca -0.22 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.26 1gqm h GLU 39 Cb 2.01 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.72 1gqm h GLU 39 CO 0.17 0.93 -0.11 1.28 -1.16 0.00 0.00 179.01 180.13 1gqm n LEU 40 N -3.32 2.95 -0.23 1.33 4.77 -0.62 -4.72 117.00 117.16 1gqm n LEU 40 Ca -0.12 -3.32 0.18 0.00 -0.03 0.00 0.00 56.01 52.72 1gqm n LEU 40 Cb 1.02 -0.50 0.51 0.00 -2.33 0.00 0.00 43.42 42.12 1gqm n LEU 40 CO 0.48 0.90 1.22 0.00 -1.33 0.00 0.00 177.39 178.67 1gqm h ALA 41 N 0.68 2.19 -0.66 -1.18 0.00 -1.68 0.29 119.26 118.90 1gqm h ALA 41 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gqm h ALA 41 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1gqm h ALA 41 CO 0.09 -0.45 0.00 0.09 0.00 0.00 0.00 179.25 178.98 1gqm n ASN 42 N -4.50 4.74 0.00 0.00 3.02 -1.26 -4.50 115.26 112.76 1gqm n ASN 42 Ca 0.18 -2.42 -0.00 0.00 -0.03 0.00 0.00 54.58 52.31 1gqm n ASN 42 Cb 0.66 -0.58 -0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 1.19 0.18 -3.59 3.41 -1.04 0.06 -5.02 114.28 109.47 1gqm n THR 43 Ca 0.26 0.05 -0.37 0.00 -2.04 0.00 0.00 64.05 61.95 1gqm n THR 43 Cb 0.88 -1.52 -0.07 0.00 -1.82 0.00 0.00 70.33 67.81 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 -2.01 5.27 0.35 12.58 1.01 -1.01 -4.88 121.20 132.51 1gqm s ILE 44 Ca -0.01 0.56 -0.29 0.00 0.00 0.00 0.00 60.65 60.92 1gqm s ILE 44 Cb 0.00 -3.61 -0.11 0.00 0.01 0.00 0.00 42.46 38.75 1gqm s ILE 44 CO 0.01 0.49 1.52 -0.75 0.00 0.00 0.00 174.94 176.20 1gqm s LYS 45 N -0.24 4.12 -1.57 2.79 2.20 -1.26 -2.98 119.74 122.80 1gqm s LYS 45 Ca 0.18 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 1gqm s LYS 45 Cb -0.14 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 1gqm s LYS 45 CO 0.06 -0.56 0.00 0.09 -0.36 0.00 0.00 175.35 174.59 1gqm n ASN 46 N 0.96 -3.95 0.01 1.43 4.13 -1.26 -4.73 115.26 111.85 1gqm n ASN 46 Ca 0.03 0.36 0.01 0.00 1.68 0.00 0.00 54.58 56.65 1gqm n ASN 46 Cb 0.39 -3.62 0.03 0.00 -1.54 0.00 0.00 39.78 35.04 1gqm n ASN 46 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gqm n ILE 47 N -2.07 1.67 0.22 2.41 0.13 -1.16 -0.04 119.36 120.51 1gqm n ILE 47 Ca -0.15 0.51 0.10 0.00 -1.10 0.00 0.00 62.75 62.11 1gqm n ILE 47 Cb 0.50 -1.51 0.38 0.00 -0.84 0.00 0.00 39.64 38.17 1gqm n ILE 47 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 1gqm h LYS 48 N 0.00 0.00 -6.75 9.51 1.57 -1.88 -3.43 116.57 115.59 1gqm h LYS 48 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1gqm h LYS 48 Cb 0.15 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.49 1gqm h LYS 48 CO 0.00 0.21 0.59 -0.51 -0.57 0.00 0.00 179.45 179.16 1gqm s ASP 49 N -6.16 7.00 0.15 0.86 1.11 0.94 -4.94 116.67 115.62 1gqm s ASP 49 Ca 0.02 2.40 -0.16 0.00 0.18 0.00 0.00 52.55 54.99 1gqm s ASP 49 Cb 0.09 -2.62 0.05 0.00 1.07 0.00 0.00 42.92 41.51 1gqm s ASP 49 CO 0.64 -0.40 1.76 0.50 1.18 0.00 0.00 175.17 178.85 1gqm h LYS 50 N 4.49 0.30 -0.95 8.23 3.64 -1.87 -2.41 116.57 128.00 1gqm h LYS 50 Ca -0.46 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 58.98 1gqm h LYS 50 Cb 1.22 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 1gqm h LYS 50 CO 0.71 0.20 0.60 0.00 -2.27 0.00 0.00 179.45 178.69 1gqm h ALA 51 N 1.21 1.33 -0.27 5.00 0.00 -1.94 -1.53 119.26 123.07 1gqm h ALA 51 Ca 0.16 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1gqm h ALA 51 Cb 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1gqm h ALA 51 CO -0.14 0.33 -0.30 0.28 0.00 0.00 0.00 179.25 179.41 1gqm h VAL 52 N 1.05 1.31 -0.53 0.00 2.07 -1.73 -0.31 116.25 118.11 1gqm h VAL 52 Ca 0.42 -1.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 1gqm h VAL 52 Cb 0.24 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1gqm h VAL 52 CO -0.20 0.47 0.07 0.40 0.02 0.00 0.00 177.57 178.33 1gqm h ILE 53 N 0.40 1.24 -0.59 4.57 2.04 -1.10 -0.94 117.51 123.13 1gqm h ILE 53 Ca 0.04 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 64.88 1gqm h ILE 53 Cb 0.88 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1gqm h ILE 53 CO 0.07 0.34 -0.01 0.44 0.00 0.00 0.00 178.15 178.99 1gqm h ASP 54 N 0.80 1.02 -0.24 1.72 3.32 -1.14 -1.17 116.42 120.73 1gqm h ASP 54 Ca 0.17 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 1gqm h ASP 54 Cb 0.38 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1gqm h ASP 54 CO 0.01 1.08 -0.00 -0.08 -1.72 0.00 0.00 179.24 178.53 1gqm h GLU 55 N 0.94 0.55 -0.01 3.56 4.81 -0.61 -1.25 114.58 122.58 1gqm h GLU 55 Ca 0.17 -0.12 -0.24 0.00 -0.13 0.00 0.00 59.36 59.03 1gqm h GLU 55 Cb 0.56 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.88 1gqm h GLU 55 CO 0.03 0.58 -0.97 0.82 -0.73 0.00 0.00 179.01 178.74 1gqm h ILE 56 N 0.53 1.35 0.07 2.32 2.04 -0.91 -2.69 117.51 120.22 1gqm h ILE 56 Ca 0.11 -2.35 -0.00 0.00 1.00 0.00 0.00 64.86 63.62 1gqm h ILE 56 Cb 0.35 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1gqm h ILE 56 CO 0.01 0.71 -0.03 0.15 0.00 0.00 0.00 178.15 178.99 1gqm h PHE 57 N 0.30 -0.08 -0.59 1.37 3.57 -0.79 -1.92 116.94 118.81 1gqm h PHE 57 Ca -0.10 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.57 1gqm h PHE 57 Cb 1.62 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.36 1gqm h PHE 57 CO 0.08 0.18 0.43 1.96 -2.23 0.00 0.00 178.31 178.72 1gqm h GLN 58 N -0.34 0.00 0.12 1.11 1.08 -1.24 -1.60 115.11 114.23 1gqm h GLN 58 Ca -0.01 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.88 1gqm h GLN 58 Cb 0.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1gqm h GLN 58 CO 0.02 0.00 -1.58 0.78 -0.95 0.00 0.00 178.83 177.10 1gqm h GLY 59 N 0.00 0.28 1.99 3.46 0.00 -1.26 -3.28 103.07 104.26 1gqm h GLY 59 Ca 0.28 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1gqm h GLY 59 CO -0.00 0.62 -0.45 1.41 0.00 0.00 0.00 176.54 178.12 1gqm h LEU 60 N 0.07 0.02 -6.88 3.11 3.38 -0.86 -3.37 115.31 110.77 1gqm h LEU 60 Ca -0.26 -0.01 -0.74 0.00 0.09 0.00 0.00 57.88 56.96 1gqm h LEU 60 Cb 2.02 -0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.62 1gqm h LEU 60 CO 0.15 0.46 1.94 -0.67 0.09 0.00 0.00 178.44 180.42 1gqm n ASP 61 N -4.01 5.01 0.15 -0.43 2.03 -0.65 -4.75 116.55 113.90 1gqm n ASP 61 Ca -0.02 -3.03 0.04 0.00 0.52 0.00 0.00 54.79 52.30 1gqm n ASP 61 Cb 0.47 -1.54 0.45 0.00 -0.72 0.00 0.00 41.12 39.79 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 6.30 1.64 -0.13 -1.67 0.00 -1.83 -2.23 119.26 121.35 1gqm h ALA 62 Ca 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1gqm h ALA 62 Cb 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1gqm h ALA 62 CO 1.53 0.27 0.00 0.27 0.00 0.00 0.00 179.25 181.31 1gqm n ASN 63 N -4.35 2.00 -1.25 0.00 6.94 -1.26 -4.93 115.26 112.41 1gqm n ASN 63 Ca -0.01 -1.71 -0.13 0.00 -0.02 0.00 0.00 54.58 52.71 1gqm n ASN 63 Cb 0.21 -0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.52 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 0.54 -0.99 -0.37 -3.83 1.13 -0.84 -4.89 117.38 108.13 1gqm n GLN 64 Ca 0.17 0.82 0.05 0.00 -1.94 0.00 0.00 57.00 56.11 1gqm n GLN 64 Cb 0.41 -4.97 0.21 0.00 0.11 0.00 0.00 30.24 26.00 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 -0.34 3.02 -2.05 1.08 5.75 -1.26 -4.88 116.55 117.88 1gqm n ASP 65 Ca -0.15 -2.27 -0.21 0.00 -0.01 0.00 0.00 54.79 52.16 1gqm n ASP 65 Cb 0.52 -0.45 -0.04 0.00 -1.03 0.00 0.00 41.12 40.12 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 0.56 -1.59 -4.05 0.11 -0.58 -1.26 -4.96 120.64 108.87 1gqm n GLU 66 Ca 0.15 1.10 -0.09 0.00 -0.42 0.00 0.00 57.16 57.91 1gqm n GLU 66 Cb 0.58 -5.65 -0.11 0.00 -0.57 0.00 0.00 31.44 25.70 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 -4.48 0.50 -0.32 3.49 -1.52 -1.26 -4.53 119.66 111.54 1gqm s GLN 67 Ca 0.00 -0.94 -0.01 0.00 -1.95 0.00 0.00 55.36 52.46 1gqm s GLN 67 Cb 0.00 0.08 0.07 0.00 -0.22 0.00 0.00 33.01 32.94 1gqm s GLN 67 CO 0.00 -0.06 0.03 0.08 -0.25 0.00 0.00 175.29 175.09 1gqm s VAL 68 N -2.64 2.90 0.73 1.09 1.01 -0.29 -4.69 120.40 118.51 1gqm s VAL 68 Ca -0.04 -1.63 -0.11 0.00 0.00 0.00 0.00 61.98 60.21 1gqm s VAL 68 Cb -0.01 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 33.62 1gqm s VAL 68 CO -0.05 -0.26 1.10 1.51 0.00 0.00 0.00 175.10 177.40 1gqm s ASP 69 N 1.32 5.14 0.25 3.32 1.47 -1.26 -2.00 116.67 124.91 1gqm s ASP 69 Ca -0.01 0.96 -0.04 0.00 1.18 0.00 0.00 52.55 54.63 1gqm s ASP 69 Cb -0.20 -1.67 0.36 0.00 -0.34 0.00 0.00 42.92 41.06 1gqm s ASP 69 CO -0.03 -1.50 1.87 0.15 0.68 0.00 0.00 175.17 176.34 1gqm h PHE 70 N -0.73 1.08 -0.67 2.11 3.57 -1.99 0.28 116.94 120.59 1gqm h PHE 70 Ca -0.45 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.20 1gqm h PHE 70 Cb 1.28 -0.35 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 1gqm h PHE 70 CO 0.43 0.56 0.22 0.37 -2.23 0.00 0.00 178.31 177.66 1gqm h GLN 71 N 1.07 0.35 0.00 1.11 5.75 -1.98 -0.12 115.11 121.29 1gqm h GLN 71 Ca 0.40 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.81 1gqm h GLN 71 Cb 0.15 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1gqm h GLN 71 CO -0.17 0.23 -0.30 0.93 -2.65 0.00 0.00 178.83 176.87 1gqm h GLU 72 N 0.36 0.00 0.00 1.69 5.08 -0.92 -2.89 114.58 117.90 1gqm h GLU 72 Ca 0.36 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1gqm h GLU 72 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1gqm h GLU 72 CO -0.39 0.30 -0.32 0.35 -1.00 0.00 0.00 179.01 177.95 1gqm h PHE 73 N 0.00 0.00 -1.00 4.33 -0.00 0.12 -2.81 116.94 117.57 1gqm h PHE 73 Ca -0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.97 58.13 1gqm h PHE 73 Cb 1.20 0.00 -0.10 0.00 -0.00 0.00 0.00 35.95 37.06 1gqm h PHE 73 CO 0.00 0.32 0.62 0.82 -0.00 0.00 0.00 178.31 180.08 1gqm h ILE 74 N 0.00 0.80 -0.42 1.41 2.04 -1.18 0.86 117.51 121.03 1gqm h ILE 74 Ca -0.00 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1gqm h ILE 74 Cb 0.59 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1gqm h ILE 74 CO 0.04 0.16 0.28 0.28 0.00 0.00 0.00 178.15 178.91 1gqm h SER 75 N 0.86 0.46 -0.23 1.72 0.02 -1.67 0.16 113.55 114.87 1gqm h SER 75 Ca 0.54 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.35 1gqm h SER 75 Cb 0.73 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1gqm h SER 75 CO -0.33 0.33 -0.31 0.25 -1.14 0.00 0.00 176.83 175.63 1gqm h LEU 76 N 0.54 0.77 -0.61 5.07 5.85 0.61 -1.66 115.31 125.88 1gqm h LEU 76 Ca 0.16 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 1gqm h LEU 76 Cb -0.02 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1gqm h LEU 76 CO -0.04 1.02 0.08 0.58 -0.34 0.00 0.00 178.44 179.74 1gqm h VAL 77 N 0.63 1.26 -0.38 1.05 2.07 -0.62 0.13 116.25 120.40 1gqm h VAL 77 Ca 0.07 -1.03 0.07 0.00 0.82 0.00 0.00 66.70 66.62 1gqm h VAL 77 Cb 0.83 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 1gqm h VAL 77 CO 0.07 0.38 0.02 0.00 0.02 0.00 0.00 177.57 178.06 1gqm h ALA 78 N 1.01 0.36 0.71 1.67 0.00 -0.72 0.46 119.26 122.76 1gqm h ALA 78 Ca 0.18 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1gqm h ALA 78 Cb 0.45 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1gqm h ALA 78 CO 0.02 -0.38 -0.34 0.82 0.00 0.00 0.00 179.25 179.37 1gqm h ILE 79 N 0.13 0.30 -0.30 0.00 2.04 -0.81 -2.45 117.51 116.42 1gqm h ILE 79 Ca 0.18 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.11 1gqm h ILE 79 Cb 0.25 0.30 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 1gqm h ILE 79 CO -0.29 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.59 1gqm h ALA 80 N -0.65 -0.15 -0.84 1.87 0.00 -0.44 0.34 119.26 119.39 1gqm h ALA 80 Ca -0.10 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.04 1gqm h ALA 80 Cb 0.73 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1gqm h ALA 80 CO 0.16 -0.69 0.55 1.25 0.00 0.00 0.00 179.25 180.52 1gqm h LEU 81 N -0.25 0.56 -0.30 0.00 5.85 -0.05 0.54 115.31 121.66 1gqm h LEU 81 Ca 0.15 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1gqm h LEU 81 Cb 0.50 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1gqm h LEU 81 CO -0.45 0.29 0.09 0.50 -0.34 0.00 0.00 178.44 178.53 1gqm h LYS 82 N 0.60 0.47 -0.90 1.25 3.64 -0.46 -2.68 116.57 118.49 1gqm h LYS 82 Ca 0.42 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1gqm h LYS 82 Cb 0.75 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 1gqm h LYS 82 CO -0.17 0.52 0.54 0.00 -2.27 0.00 0.00 179.45 178.07 1gqm h ALA 83 N 0.92 1.15 -0.35 5.00 0.00 0.77 -2.27 119.26 124.47 1gqm h ALA 83 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1gqm h ALA 83 Cb 0.25 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1gqm h ALA 83 CO -0.00 0.61 0.20 0.00 0.00 0.00 0.00 179.25 180.06 1gqm h ALA 84 N 1.29 0.44 0.00 0.00 0.00 -0.64 -1.97 119.26 118.38 1gqm h ALA 84 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1gqm h ALA 84 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1gqm h ALA 84 CO -0.06 -0.15 0.00 1.25 0.00 0.00 0.00 179.25 180.29 1gqm h HIS 85 N 0.41 0.00 0.00 0.00 -0.00 -1.12 -2.56 115.15 111.89 1gqm h HIS 85 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1gqm h HIS 85 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 1gqm h HIS 85 CO -0.08 0.00 0.00 -0.92 -0.00 0.00 0.00 177.93 176.93 1gqm h TYR 86 N 0.00 0.00 0.00 5.26 3.20 -0.80 -3.52 116.97 121.11 1gqm h TYR 86 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1gqm h TYR 86 Cb 0.51 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1gqm h TYR 86 CO 0.00 0.00 0.00 0.72 -1.64 0.00 0.00 178.16 177.24