#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 -0.33 -0.66 -0.78 1.57 -2.05 -2.58 116.57 111.74 1gqm h LYS 2 Ca 0.00 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1gqm h LYS 2 Cb 0.00 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 1gqm h LYS 2 CO 0.00 -0.22 0.33 1.25 -0.57 0.00 0.00 179.45 180.24 1gqm h LEU 3 N -0.34 0.44 -1.34 2.94 6.46 -2.05 0.18 115.31 121.59 1gqm h LEU 3 Ca -0.02 0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.73 1gqm h LEU 3 Cb 0.29 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1gqm h LEU 3 CO 0.02 0.27 -0.32 -0.33 -0.62 0.00 0.00 178.44 177.45 1gqm h GLU 4 N 0.58 0.00 -0.22 1.25 5.08 -1.98 -1.42 114.58 117.87 1gqm h GLU 4 Ca 0.32 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.54 1gqm h GLU 4 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1gqm h GLU 4 CO -0.24 0.32 -0.40 0.93 -1.00 0.00 0.00 179.01 178.62 1gqm h GLU 5 N 0.00 0.67 -0.65 2.33 5.08 -0.61 0.53 114.58 121.93 1gqm h GLU 5 Ca -0.00 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1gqm h GLU 5 Cb 0.62 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1gqm h GLU 5 CO 0.04 1.04 0.33 0.45 -1.00 0.00 0.00 179.01 179.87 1gqm h HIS 6 N 0.37 0.92 0.53 4.33 3.86 -0.77 0.38 115.15 124.77 1gqm h HIS 6 Ca 0.01 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1gqm h HIS 6 Cb 1.00 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1gqm h HIS 6 CO 0.08 0.68 -0.26 -0.07 0.86 0.00 0.00 177.93 179.23 1gqm h LEU 7 N 0.89 -0.62 -1.21 2.43 3.38 -1.08 -0.57 115.31 118.53 1gqm h LEU 7 Ca 0.23 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.40 1gqm h LEU 7 Cb 0.09 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 1gqm h LEU 7 CO -0.03 -0.43 0.61 -0.08 0.09 0.00 0.00 178.44 178.59 1gqm h GLU 8 N -0.71 0.65 0.19 1.13 4.81 -0.60 0.43 114.58 120.47 1gqm h GLU 8 Ca -0.07 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1gqm h GLU 8 Cb 0.55 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1gqm h GLU 8 CO 0.11 0.43 -0.43 0.78 -0.73 0.00 0.00 179.01 179.17 1gqm h GLY 9 N 0.67 -0.92 0.24 1.92 0.00 0.76 0.38 103.07 106.12 1gqm h GLY 9 Ca 0.51 0.52 0.13 0.00 0.00 0.00 0.00 47.33 48.49 1gqm h GLY 9 CO -0.27 -0.28 0.33 -2.22 0.00 0.00 0.00 176.54 174.10 1gqm h ILE 10 N -0.71 0.71 -0.69 2.60 2.04 0.53 0.67 117.51 122.67 1gqm h ILE 10 Ca 0.01 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 1gqm h ILE 10 Cb 0.71 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1gqm h ILE 10 CO -0.21 0.09 0.13 0.58 0.00 0.00 0.00 178.15 178.74 1gqm h VAL 11 N 0.51 1.26 -0.63 1.67 2.07 0.18 -2.18 116.25 119.13 1gqm h VAL 11 Ca 0.41 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1gqm h VAL 11 Cb 0.57 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1gqm h VAL 11 CO -0.36 0.39 0.26 0.78 0.02 0.00 0.00 177.57 178.65 1gqm h ASN 12 N 1.06 0.86 -0.06 0.57 2.35 0.19 -2.19 115.58 118.37 1gqm h ASN 12 Ca 0.21 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1gqm h ASN 12 Cb 0.43 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1gqm h ASN 12 CO 0.01 0.79 -0.13 0.40 -1.65 0.00 0.00 177.43 176.86 1gqm h ILE 13 N 0.88 1.21 0.41 2.81 2.04 -0.86 0.40 117.51 124.40 1gqm h ILE 13 Ca 0.21 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1gqm h ILE 13 Cb 0.19 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1gqm h ILE 13 CO -0.02 0.29 -0.25 0.15 0.00 0.00 0.00 178.15 178.32 1gqm h PHE 14 N 0.35 -0.67 0.00 1.37 3.57 -0.93 -2.56 116.94 118.07 1gqm h PHE 14 Ca 0.07 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1gqm h PHE 14 Cb 0.44 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1gqm h PHE 14 CO 0.01 -0.39 -0.08 0.45 -2.23 0.00 0.00 178.31 176.07 1gqm h HIS 15 N -0.64 0.00 -0.72 0.41 3.86 -0.80 -1.20 115.15 116.06 1gqm h HIS 15 Ca -0.04 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.22 1gqm h HIS 15 Cb 0.52 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1gqm h HIS 15 CO -0.09 0.08 0.47 0.37 0.86 0.00 0.00 177.93 179.62 1gqm h GLN 16 N 0.00 0.74 0.00 2.45 4.15 0.21 -2.17 115.11 120.48 1gqm h GLN 16 Ca -0.00 -0.04 -0.26 0.00 0.77 0.00 0.00 58.65 59.12 1gqm h GLN 16 Cb 0.50 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.98 1gqm h GLN 16 CO 0.01 0.49 -2.24 0.66 -1.93 0.00 0.00 178.83 175.82 1gqm n TYR 17 N -4.48 0.04 0.23 3.99 4.01 -1.06 -4.51 117.16 115.38 1gqm n TYR 17 Ca 0.10 0.01 0.11 0.00 -0.16 0.00 0.00 57.90 57.97 1gqm n TYR 17 Cb 0.21 -0.86 0.43 0.00 -0.31 0.00 0.00 39.34 38.81 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 0.07 7.72 4.64 -0.55 -3.13 113.55 122.30 1gqm h SER 18 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1gqm h SER 18 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 1gqm h SER 18 CO 0.02 0.17 -0.46 0.55 -0.87 0.00 0.00 176.83 176.25 1gqm n VAL 19 N -3.27 0.00 -0.23 0.95 3.14 -1.19 -4.22 118.33 113.51 1gqm n VAL 19 Ca 0.01 -0.20 0.14 0.00 -2.96 0.00 0.00 64.34 61.33 1gqm n VAL 19 Cb 0.45 0.97 0.43 0.00 -1.06 0.00 0.00 33.84 34.62 1gqm n VAL 19 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1gqm h ARG 20 N 1.84 0.56 -3.55 1.45 3.08 -1.80 -3.44 114.38 112.52 1gqm h ARG 20 Ca 0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1gqm h ARG 20 Cb 0.66 -0.13 -0.13 0.00 0.08 0.00 0.00 29.97 30.46 1gqm h ARG 20 CO 0.00 0.37 -0.17 0.15 -1.07 0.00 0.00 179.97 179.25 1gqm s LYS 21 N -5.57 1.07 3.19 0.04 1.02 -1.26 -5.13 119.74 113.10 1gqm s LYS 21 Ca -0.09 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.04 1gqm s LYS 21 Cb 0.22 0.43 0.00 0.00 -0.52 0.00 0.00 37.83 37.96 1gqm s LYS 21 CO 0.78 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 1gqm n GLY 22 N -0.20 1.26 3.73 -3.33 0.00 -1.26 -4.60 105.19 100.79 1gqm n GLY 22 Ca -0.14 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 2.46 2.66 -0.09 1.61 8.25 -1.26 -4.94 115.22 123.91 1gqm n HIS 23 Ca 0.00 0.45 -0.11 0.00 -0.26 0.00 0.00 57.72 57.80 1gqm n HIS 23 Cb 0.00 -2.50 -0.04 0.00 1.12 0.00 0.00 29.99 28.57 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 3.20 0.51 0.00 4.41 0.04 -1.82 -3.24 116.94 120.05 1gqm h PHE 24 Ca -0.48 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.20 1gqm h PHE 24 Cb 1.26 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.28 1gqm h PHE 24 CO 0.53 0.63 0.20 -0.40 -0.60 0.00 0.00 178.31 178.68 1gqm n ASP 25 N -4.61 0.33 -3.83 2.17 5.75 -1.26 -3.48 116.55 111.62 1gqm n ASP 25 Ca -0.03 0.57 -0.12 0.00 -0.01 0.00 0.00 54.79 55.19 1gqm n ASP 25 Cb 0.26 -0.55 -0.13 0.00 -1.03 0.00 0.00 41.12 39.66 1gqm n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1gqm s THR 26 N -3.26 -0.00 -0.23 2.12 -4.23 -1.22 -4.24 115.64 104.57 1gqm s THR 26 Ca -0.01 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.39 1gqm s THR 26 Cb 0.04 -0.15 -0.05 0.00 1.34 0.00 0.00 72.50 73.68 1gqm s THR 26 CO 0.12 0.00 0.23 -0.76 -0.54 0.00 0.00 174.62 173.67 1gqm s LEU 27 N 0.12 4.13 0.46 4.79 1.43 -0.81 -4.69 118.68 124.11 1gqm s LEU 27 Ca -0.01 0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 53.19 1gqm s LEU 27 Cb -0.01 -2.22 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 1gqm s LEU 27 CO -0.00 0.03 0.87 -0.94 0.23 0.00 0.00 176.35 176.54 1gqm s SER 28 N 1.01 6.56 0.26 2.29 1.04 -1.26 -1.37 113.70 122.23 1gqm s SER 28 Ca 0.11 1.34 -0.06 0.00 0.48 0.00 0.00 55.95 57.81 1gqm s SER 28 Cb -0.14 -2.41 0.48 0.00 0.10 0.00 0.00 66.02 64.06 1gqm s SER 28 CO 0.05 -0.49 1.61 0.50 0.98 0.00 0.00 173.24 175.89 1gqm h LYS 29 N 1.08 0.05 0.07 4.02 3.64 -1.99 0.42 116.57 123.86 1gqm h LYS 29 Ca -0.47 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1gqm h LYS 29 Cb 1.19 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1gqm h LYS 29 CO 0.63 0.03 -0.10 0.78 -2.27 0.00 0.00 179.45 178.52 1gqm h GLY 30 N 0.05 -0.18 0.24 5.01 0.00 -1.97 0.16 103.07 106.38 1gqm h GLY 30 Ca 0.45 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.97 1gqm h GLY 30 CO -0.78 -0.11 -0.10 0.83 0.00 0.00 0.00 176.54 176.39 1gqm h GLU 31 N -0.21 -0.00 -0.96 4.80 5.08 -0.72 1.77 114.58 124.35 1gqm h GLU 31 Ca 0.01 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1gqm h GLU 31 Cb 0.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1gqm h GLU 31 CO -0.05 -0.00 0.62 1.25 -1.00 0.00 0.00 179.01 179.83 1gqm h LEU 32 N -0.00 1.11 -0.76 1.33 5.85 0.19 0.32 115.31 123.35 1gqm h LEU 32 Ca 0.18 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1gqm h LEU 32 Cb 0.28 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1gqm h LEU 32 CO -0.39 0.82 0.44 0.50 -0.34 0.00 0.00 178.44 179.47 1gqm h LYS 33 N 1.31 0.77 0.00 1.25 3.64 0.71 0.57 116.57 124.82 1gqm h LYS 33 Ca 0.35 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1gqm h LYS 33 Cb -0.13 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.52 1gqm h LYS 33 CO -0.07 0.51 0.00 1.96 -2.27 0.00 0.00 179.45 179.58 1gqm h GLN 34 N 0.79 0.00 0.00 1.90 4.20 0.65 3.21 115.11 125.86 1gqm h GLN 34 Ca 0.35 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.79 1gqm h GLN 34 Cb 0.23 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1gqm h GLN 34 CO -0.20 0.00 -1.83 -0.11 -0.67 0.00 0.00 178.83 176.02 1gqm n LEU 35 N -2.83 1.40 0.28 1.46 0.00 -0.58 0.10 117.00 116.83 1gqm n LEU 35 Ca -0.02 0.24 -0.11 0.00 0.00 0.00 0.00 56.01 56.12 1gqm n LEU 35 Cb 0.09 -0.57 -0.05 0.00 0.00 0.00 0.00 43.42 42.89 1gqm n LEU 35 CO 0.18 0.26 0.47 -0.07 0.00 0.00 0.00 177.39 178.22 1gqm h LEU 36 N -0.68 -0.62 -0.93 -1.96 3.38 0.32 0.58 115.31 115.39 1gqm h LEU 36 Ca -0.40 0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.65 1gqm h LEU 36 Cb 1.30 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 42.14 1gqm h LEU 36 CO -0.24 -0.41 0.59 0.71 0.09 0.00 0.00 178.44 179.18 1gqm h THR 37 N -0.79 1.06 0.45 0.22 1.35 0.58 -2.25 112.91 113.52 1gqm h THR 37 Ca -0.07 -0.37 -0.02 0.00 -0.55 0.00 0.00 66.41 65.39 1gqm h THR 37 Cb 0.56 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.88 1gqm h THR 37 CO 0.12 0.20 -0.22 0.50 -0.25 0.00 0.00 175.52 175.87 1gqm h LYS 38 N 1.08 -0.58 -0.00 4.72 3.64 0.07 -3.43 116.57 122.07 1gqm h LYS 38 Ca 0.41 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1gqm h LYS 38 Cb 0.17 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1gqm h LYS 38 CO -0.17 -0.39 -0.76 0.39 -2.27 0.00 0.00 179.45 176.25 1gqm n GLU 39 N -3.68 1.17 -0.53 1.90 -0.58 0.20 -4.03 120.64 115.09 1gqm n GLU 39 Ca -0.07 -0.16 0.08 0.00 -0.42 0.00 0.00 57.16 56.58 1gqm n GLU 39 Cb 0.24 -1.35 0.29 0.00 -0.57 0.00 0.00 31.44 30.05 1gqm n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1gqm n LEU 40 N -1.18 4.28 -0.24 -4.62 4.32 -0.86 -4.68 117.00 114.02 1gqm n LEU 40 Ca 0.04 -2.78 0.24 0.00 -0.02 0.00 0.00 56.01 53.49 1gqm n LEU 40 Cb 0.30 -0.54 0.60 0.00 -1.62 0.00 0.00 43.42 42.16 1gqm n LEU 40 CO 0.34 0.69 1.24 0.00 -1.22 0.00 0.00 177.39 178.45 1gqm h ALA 41 N 2.62 2.50 -0.39 -1.18 0.00 -1.70 0.25 119.26 121.36 1gqm h ALA 41 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gqm h ALA 41 Cb 1.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1gqm h ALA 41 CO 0.25 -0.80 0.00 0.09 0.00 0.00 0.00 179.25 178.79 1gqm n ASN 42 N -4.43 4.63 -0.03 0.00 3.02 -1.26 -4.63 115.26 112.56 1gqm n ASN 42 Ca 0.21 -2.97 -0.08 0.00 -0.03 0.00 0.00 54.58 51.71 1gqm n ASN 42 Cb 0.86 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.03 0.73 -4.05 3.41 -1.04 0.85 -5.04 114.28 109.12 1gqm n THR 43 Ca 0.24 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.91 1gqm n THR 43 Cb 1.01 -1.68 -0.07 0.00 -1.82 0.00 0.00 70.33 67.77 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 -2.20 5.02 0.25 12.58 1.01 -1.18 -4.86 121.20 131.82 1gqm s ILE 44 Ca -0.12 -0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 1gqm s ILE 44 Cb 0.04 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 39.18 1gqm s ILE 44 CO 0.15 0.48 1.25 -0.75 0.00 0.00 0.00 174.94 176.08 1gqm s LYS 45 N -1.37 4.44 -2.13 2.79 2.20 -1.26 -3.03 119.74 121.39 1gqm s LYS 45 Ca 0.19 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 1gqm s LYS 45 Cb -0.12 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1gqm s LYS 45 CO 0.09 -0.12 0.00 0.09 -0.36 0.00 0.00 175.35 175.05 1gqm n ASN 46 N 1.81 -5.55 0.08 1.43 5.03 -1.26 -4.78 115.26 112.02 1gqm n ASN 46 Ca 0.03 0.43 0.04 0.00 0.87 0.00 0.00 54.58 55.94 1gqm n ASN 46 Cb 0.43 -4.82 0.19 0.00 -1.02 0.00 0.00 39.78 34.56 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 -2.66 0.93 0.31 2.41 0.13 -1.17 0.52 119.36 119.84 1gqm n ILE 47 Ca -0.21 0.63 0.14 0.00 -1.10 0.00 0.00 62.75 62.21 1gqm n ILE 47 Cb 0.68 -1.63 0.45 0.00 -0.84 0.00 0.00 39.64 38.30 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 -5.92 9.51 1.57 -1.88 -3.43 116.57 116.41 1gqm h LYS 48 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1gqm h LYS 48 Cb 0.47 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 1gqm h LYS 48 CO 0.00 0.00 0.31 -0.51 -0.57 0.00 0.00 179.45 178.68 1gqm s ASP 49 N -5.57 6.93 0.20 0.86 1.01 0.18 -4.94 116.67 115.35 1gqm s ASP 49 Ca 0.05 1.13 -0.10 0.00 0.71 0.00 0.00 52.55 54.34 1gqm s ASP 49 Cb 0.08 -2.44 0.28 0.00 1.01 0.00 0.00 42.92 41.86 1gqm s ASP 49 CO 0.58 -0.34 1.25 2.29 0.21 0.00 0.00 175.17 179.15 1gqm n LYS 50 N 4.99 -0.13 -0.36 8.23 0.00 -1.26 0.69 118.16 130.32 1gqm n LYS 50 Ca 0.03 1.24 -0.02 0.00 -0.00 0.00 0.00 58.31 59.56 1gqm n LYS 50 Cb 0.49 -1.85 0.11 0.00 -0.00 0.00 0.00 35.03 33.79 1gqm n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gqm h ALA 51 N 1.36 1.24 -0.29 0.58 0.00 -1.95 -2.08 119.26 118.12 1gqm h ALA 51 Ca 0.33 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1gqm h ALA 51 Cb 0.53 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1gqm h ALA 51 CO -0.81 0.58 -0.02 0.28 0.00 0.00 0.00 179.25 179.29 1gqm h VAL 52 N 1.28 1.26 -0.67 0.00 2.07 -0.03 -1.86 116.25 118.30 1gqm h VAL 52 Ca 0.36 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1gqm h VAL 52 Cb -0.10 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1gqm h VAL 52 CO -0.09 0.31 0.44 0.40 0.02 0.00 0.00 177.57 178.65 1gqm h ILE 53 N 0.31 1.14 -0.04 4.57 2.04 -0.95 -0.82 117.51 123.76 1gqm h ILE 53 Ca 0.08 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1gqm h ILE 53 Cb 0.46 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1gqm h ILE 53 CO 0.02 0.16 -0.02 -0.78 0.00 0.00 0.00 178.15 177.53 1gqm h ASP 54 N 0.88 0.09 -0.58 1.72 3.58 -1.36 0.85 116.42 121.59 1gqm h ASP 54 Ca 0.26 -0.42 0.11 0.00 0.42 0.00 0.00 57.03 57.40 1gqm h ASP 54 Cb -0.06 -0.03 -0.11 0.00 1.72 0.00 0.00 39.33 40.85 1gqm h ASP 54 CO -0.07 0.49 -0.25 -0.08 -2.88 0.00 0.00 179.24 176.45 1gqm h GLU 55 N -0.31 -0.10 -0.66 0.28 4.81 -0.97 0.38 114.58 118.02 1gqm h GLU 55 Ca 0.01 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1gqm h GLU 55 Cb 0.46 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1gqm h GLU 55 CO 0.01 -0.07 0.12 0.82 -0.73 0.00 0.00 179.01 179.16 1gqm h ILE 56 N -0.10 1.26 0.20 2.32 2.04 -0.99 -2.06 117.51 120.18 1gqm h ILE 56 Ca 0.26 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1gqm h ILE 56 Cb 0.51 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1gqm h ILE 56 CO -0.65 0.38 -0.13 0.15 0.00 0.00 0.00 178.15 177.90 1gqm h PHE 57 N 1.01 -0.33 -0.02 1.37 3.57 0.18 -2.17 116.94 120.55 1gqm h PHE 57 Ca 0.20 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1gqm h PHE 57 Cb 0.41 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1gqm h PHE 57 CO 0.03 -0.20 0.02 1.96 -2.23 0.00 0.00 178.31 177.88 1gqm h GLN 58 N -0.32 0.00 0.00 1.11 1.08 -0.17 -1.60 115.11 115.20 1gqm h GLN 58 Ca -0.02 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.05 1gqm h GLN 58 Cb 0.27 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1gqm h GLN 58 CO 0.01 0.00 -0.71 0.78 -0.95 0.00 0.00 178.83 177.96 1gqm h GLY 59 N 0.00 0.00 1.21 3.46 0.00 -0.99 -3.29 103.07 103.46 1gqm h GLY 59 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1gqm h GLY 59 CO -0.00 0.00 -1.29 1.41 0.00 0.00 0.00 176.54 176.66 1gqm h LEU 60 N 0.00 0.86 -5.92 3.11 3.38 -0.69 -3.39 115.31 112.65 1gqm h LEU 60 Ca -0.03 -0.86 -0.68 0.00 0.09 0.00 0.00 57.88 56.41 1gqm h LEU 60 Cb 1.49 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1gqm h LEU 60 CO 0.08 1.63 3.05 -0.67 0.09 0.00 0.00 178.44 182.62 1gqm n ASP 61 N -3.79 4.35 -0.33 -0.43 2.03 -0.75 -4.75 116.55 112.89 1gqm n ASP 61 Ca -0.15 -2.74 0.09 0.00 0.52 0.00 0.00 54.79 52.51 1gqm n ASP 61 Cb 1.01 -1.51 0.26 0.00 -0.72 0.00 0.00 41.12 40.16 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 6.24 1.45 -0.40 -1.67 0.00 -1.83 -0.17 119.26 122.90 1gqm h ALA 62 Ca 0.58 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1gqm h ALA 62 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1gqm h ALA 62 CO 1.87 -0.03 0.00 0.27 0.00 0.00 0.00 179.25 181.36 1gqm n ASN 63 N -4.80 4.24 -4.02 0.00 6.94 -1.26 -4.93 115.26 111.44 1gqm n ASN 63 Ca 0.20 -2.63 -0.29 0.00 -0.02 0.00 0.00 54.58 51.83 1gqm n ASN 63 Cb 0.47 -0.63 -0.02 0.00 -2.36 0.00 0.00 39.78 37.25 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 0.43 -3.55 -0.29 -3.83 1.13 -0.08 -4.82 117.38 106.38 1gqm n GLN 64 Ca 0.19 0.42 0.08 0.00 -1.94 0.00 0.00 57.00 55.75 1gqm n GLN 64 Cb 0.90 -4.82 0.20 0.00 0.11 0.00 0.00 30.24 26.63 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 -2.88 3.26 -1.25 1.08 5.75 -1.26 -4.93 116.55 116.32 1gqm n ASP 65 Ca -0.16 -2.81 -0.16 0.00 -0.01 0.00 0.00 54.79 51.65 1gqm n ASP 65 Cb 0.61 -0.43 -0.07 0.00 -1.03 0.00 0.00 41.12 40.20 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 -1.21 -4.28 0.11 -0.58 -1.26 -4.97 120.64 107.89 1gqm n GLU 66 Ca 0.17 1.07 -0.19 0.00 -0.42 0.00 0.00 57.16 57.79 1gqm n GLU 66 Cb 0.72 -5.30 -0.13 0.00 -0.57 0.00 0.00 31.44 26.17 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 -3.36 0.86 -0.34 3.49 -1.52 -1.26 -4.45 119.66 113.08 1gqm s GLN 67 Ca 0.00 -0.80 -0.00 0.00 -1.95 0.00 0.00 55.36 52.61 1gqm s GLN 67 Cb 0.00 -0.86 0.08 0.00 -0.22 0.00 0.00 33.01 32.01 1gqm s GLN 67 CO 0.00 0.20 0.06 0.08 -0.25 0.00 0.00 175.29 175.38 1gqm s VAL 68 N -0.99 2.79 0.85 1.09 1.01 -0.47 -4.66 120.40 120.01 1gqm s VAL 68 Ca -0.00 -1.84 -0.11 0.00 0.00 0.00 0.00 61.98 60.03 1gqm s VAL 68 Cb -0.08 -2.81 0.19 0.00 0.00 0.00 0.00 36.38 33.68 1gqm s VAL 68 CO 0.01 -0.38 1.15 -0.90 0.00 0.00 0.00 175.10 174.98 1gqm n ASP 69 N 4.50 0.46 -0.04 3.32 5.68 -1.26 -1.92 116.55 127.30 1gqm n ASP 69 Ca -0.06 -1.65 -0.11 0.00 -0.50 0.00 0.00 54.79 52.48 1gqm n ASP 69 Cb 0.42 -0.85 -0.05 0.00 -1.14 0.00 0.00 41.12 39.51 1gqm n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1gqm h PHE 70 N -1.37 0.24 -0.55 2.11 3.57 -1.99 -0.66 116.94 118.28 1gqm h PHE 70 Ca -0.37 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.19 1gqm h PHE 70 Cb 1.12 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 1gqm h PHE 70 CO 0.00 0.26 0.21 1.96 -2.23 0.00 0.00 178.31 178.51 1gqm h GLN 71 N 0.16 0.39 -0.72 1.11 1.08 -1.97 0.19 115.11 115.35 1gqm h GLN 71 Ca 0.06 -0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.34 1gqm h GLN 71 Cb 0.10 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 1gqm h GLN 71 CO -0.01 0.26 0.47 0.93 -0.95 0.00 0.00 178.83 179.54 1gqm h GLU 72 N 0.40 0.56 -0.59 1.46 5.08 -1.81 -2.20 114.58 117.48 1gqm h GLU 72 Ca 0.27 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1gqm h GLU 72 Cb 0.29 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1gqm h GLU 72 CO -0.26 0.37 0.02 0.35 -1.00 0.00 0.00 179.01 178.48 1gqm h PHE 73 N 0.57 1.09 -0.76 4.33 -0.00 0.93 -3.03 116.94 120.06 1gqm h PHE 73 Ca 0.33 -0.17 0.16 0.00 -0.00 0.00 0.00 57.97 58.29 1gqm h PHE 73 Cb 0.53 -0.29 -0.11 0.00 -0.00 0.00 0.00 35.95 36.08 1gqm h PHE 73 CO -0.00 0.96 0.24 0.82 -0.00 0.00 0.00 178.31 180.33 1gqm h ILE 74 N 0.93 0.55 -1.00 1.41 2.04 -0.69 0.49 117.51 121.23 1gqm h ILE 74 Ca 0.17 -0.12 0.22 0.00 1.00 0.00 0.00 64.86 66.13 1gqm h ILE 74 Cb 0.52 0.18 -0.10 0.00 -0.74 0.00 0.00 36.82 36.68 1gqm h ILE 74 CO 0.03 0.06 0.62 0.28 0.00 0.00 0.00 178.15 179.14 1gqm h SER 75 N 0.34 0.66 -0.43 1.72 0.02 -1.64 0.29 113.55 114.51 1gqm h SER 75 Ca 0.43 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.50 1gqm h SER 75 Cb 0.73 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 1gqm h SER 75 CO -0.48 0.19 0.26 0.25 -1.14 0.00 0.00 176.83 175.91 1gqm h LEU 76 N 0.62 0.44 -0.79 5.07 5.85 -0.17 -1.97 115.31 124.35 1gqm h LEU 76 Ca 0.59 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.34 1gqm h LEU 76 Cb 1.11 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1gqm h LEU 76 CO -0.37 0.31 0.51 0.58 -0.34 0.00 0.00 178.44 179.13 1gqm h VAL 77 N 0.53 1.13 -0.84 1.05 2.07 -0.27 0.16 116.25 120.08 1gqm h VAL 77 Ca 0.17 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1gqm h VAL 77 Cb -0.01 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 1gqm h VAL 77 CO -0.06 0.18 0.42 0.00 0.02 0.00 0.00 177.57 178.12 1gqm h ALA 78 N 1.33 1.09 0.13 1.67 0.00 -0.73 0.81 119.26 123.56 1gqm h ALA 78 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1gqm h ALA 78 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1gqm h ALA 78 CO -0.11 0.64 -0.06 0.82 0.00 0.00 0.00 179.25 180.54 1gqm h ILE 79 N 1.20 0.90 0.28 0.00 2.04 -0.62 -1.64 117.51 119.67 1gqm h ILE 79 Ca 0.29 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 1gqm h ILE 79 Cb 0.10 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1gqm h ILE 79 CO -0.04 0.02 -0.24 0.00 0.00 0.00 0.00 178.15 177.90 1gqm h ALA 80 N 0.64 -0.52 -0.82 1.87 0.00 0.17 -1.03 119.26 119.57 1gqm h ALA 80 Ca -0.02 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.01 1gqm h ALA 80 Cb 0.17 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 18.16 1gqm h ALA 80 CO 0.03 -0.82 0.13 1.25 0.00 0.00 0.00 179.25 179.84 1gqm h LEU 81 N -0.54 -0.15 -0.20 0.00 5.85 0.63 0.19 115.31 121.10 1gqm h LEU 81 Ca -0.01 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1gqm h LEU 81 Cb 0.48 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1gqm h LEU 81 CO -0.03 -0.15 0.11 0.50 -0.34 0.00 0.00 178.44 178.52 1gqm h LYS 82 N 0.17 0.27 -0.47 1.25 3.64 -0.31 -1.69 116.57 119.43 1gqm h LYS 82 Ca 0.48 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1gqm h LYS 82 Cb 0.91 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1gqm h LYS 82 CO -0.65 0.27 0.21 0.00 -2.27 0.00 0.00 179.45 177.01 1gqm h ALA 83 N 0.99 0.61 -0.45 5.00 0.00 0.39 -2.47 119.26 123.32 1gqm h ALA 83 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1gqm h ALA 83 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1gqm h ALA 83 CO -0.01 0.18 0.22 0.00 0.00 0.00 0.00 179.25 179.65 1gqm h ALA 84 N 1.06 1.55 0.00 0.00 0.00 -0.54 -1.30 119.26 120.03 1gqm h ALA 84 Ca 0.16 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1gqm h ALA 84 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1gqm h ALA 84 CO -0.02 0.37 -0.68 1.25 0.00 0.00 0.00 179.25 180.17 1gqm h HIS 85 N 0.63 0.00 0.00 0.00 6.17 -1.10 -3.51 115.15 117.34 1gqm h HIS 85 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.24 1gqm h HIS 85 Cb 0.06 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.99 1gqm h HIS 85 CO 0.00 0.68 0.00 0.98 0.71 0.00 0.00 177.93 180.31