#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 -0.39 -0.86 1.09 1.63 -2.06 -2.72 116.57 113.26 1gqm h LYS 2 Ca 0.00 0.03 0.20 0.00 -0.85 0.00 0.00 60.65 60.03 1gqm h LYS 2 Cb 0.00 0.09 -0.12 0.00 -0.60 0.00 0.00 32.23 31.60 1gqm h LYS 2 CO 0.00 -0.12 0.36 1.25 -3.45 0.00 0.00 179.45 177.49 1gqm h LEU 3 N -1.03 0.30 -1.18 5.20 7.12 -2.05 1.20 115.31 124.87 1gqm h LEU 3 Ca -0.04 0.14 -0.05 0.00 0.13 0.00 0.00 57.88 58.07 1gqm h LEU 3 Cb 0.44 0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.68 1gqm h LEU 3 CO 0.07 0.02 0.05 -0.33 -0.13 0.00 0.00 178.44 178.12 1gqm h GLU 4 N 0.41 0.62 -0.43 1.25 5.08 -2.00 -0.66 114.58 118.84 1gqm h GLU 4 Ca 0.52 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.68 1gqm h GLU 4 Cb 0.95 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1gqm h GLU 4 CO -0.50 0.60 -0.03 0.93 -1.00 0.00 0.00 179.01 179.01 1gqm h GLU 5 N 0.60 0.79 -0.19 2.33 5.08 0.17 0.18 114.58 123.53 1gqm h GLU 5 Ca 0.13 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 1gqm h GLU 5 Cb 0.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1gqm h GLU 5 CO 0.00 0.87 -0.31 0.45 -1.00 0.00 0.00 179.01 179.02 1gqm h HIS 6 N 0.62 0.43 -0.02 4.33 3.86 -0.17 0.16 115.15 124.36 1gqm h HIS 6 Ca 0.12 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1gqm h HIS 6 Cb 0.53 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1gqm h HIS 6 CO 0.04 0.65 0.00 -0.07 0.86 0.00 0.00 177.93 179.41 1gqm h LEU 7 N 0.33 0.04 -1.41 2.43 3.38 -0.68 -0.81 115.31 118.59 1gqm h LEU 7 Ca 0.04 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.80 1gqm h LEU 7 Cb 0.72 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1gqm h LEU 7 CO 0.05 0.33 0.49 -0.08 0.09 0.00 0.00 178.44 179.33 1gqm h GLU 8 N -0.26 0.64 0.09 1.13 4.81 -0.41 -1.08 114.58 119.50 1gqm h GLU 8 Ca 0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1gqm h GLU 8 Cb 0.31 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1gqm h GLU 8 CO 0.00 0.43 -0.04 0.78 -0.73 0.00 0.00 179.01 179.44 1gqm h GLY 9 N 0.66 -0.13 0.52 1.92 0.00 -0.33 0.06 103.07 105.78 1gqm h GLY 9 Ca 0.34 0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.80 1gqm h GLY 9 CO -0.12 -0.05 0.29 -2.22 0.00 0.00 0.00 176.54 174.44 1gqm h ILE 10 N -0.22 0.86 0.05 2.60 2.04 0.04 0.78 117.51 123.65 1gqm h ILE 10 Ca -0.01 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1gqm h ILE 10 Cb 0.19 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1gqm h ILE 10 CO 0.02 0.09 -0.06 0.58 0.00 0.00 0.00 178.15 178.78 1gqm h VAL 11 N 0.52 0.85 -0.54 1.67 2.07 -0.85 -1.06 116.25 118.91 1gqm h VAL 11 Ca 0.30 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.90 1gqm h VAL 11 Cb 0.30 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 1gqm h VAL 11 CO -0.25 0.00 0.16 0.78 0.02 0.00 0.00 177.57 178.28 1gqm h ASN 12 N -0.14 0.11 -0.61 0.57 2.35 0.10 -1.37 115.58 116.59 1gqm h ASN 12 Ca 0.01 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1gqm h ASN 12 Cb 0.14 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1gqm h ASN 12 CO -0.03 0.08 0.26 0.40 -1.65 0.00 0.00 177.43 176.50 1gqm h ILE 13 N 0.32 1.22 -0.40 2.81 5.03 -0.09 0.41 117.51 126.80 1gqm h ILE 13 Ca 0.27 -0.69 0.01 0.00 -0.12 0.00 0.00 64.86 64.32 1gqm h ILE 13 Cb 0.34 0.45 -0.02 0.00 -3.03 0.00 0.00 36.82 34.55 1gqm h ILE 13 CO -0.30 0.28 0.26 0.15 -0.68 0.00 0.00 178.15 177.85 1gqm h PHE 14 N 0.92 0.49 -0.25 1.37 3.57 -0.14 -2.44 116.94 120.46 1gqm h PHE 14 Ca 0.22 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.61 1gqm h PHE 14 Cb 0.17 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1gqm h PHE 14 CO 0.01 0.30 -0.34 0.45 -2.23 0.00 0.00 178.31 176.50 1gqm h HIS 15 N 0.53 0.61 -1.12 0.41 3.86 -0.56 -1.25 115.15 117.64 1gqm h HIS 15 Ca 0.15 -0.16 0.32 0.00 -1.16 0.00 0.00 60.37 59.52 1gqm h HIS 15 Cb -0.04 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.24 1gqm h HIS 15 CO -0.06 0.81 0.79 0.37 0.86 0.00 0.00 177.93 180.70 1gqm h GLN 16 N 0.45 0.05 0.00 2.45 4.15 -0.48 -0.17 115.11 121.56 1gqm h GLN 16 Ca 0.05 -0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.17 1gqm h GLN 16 Cb 0.81 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.43 1gqm h GLN 16 CO 0.07 0.03 -2.20 0.66 -1.93 0.00 0.00 178.83 175.46 1gqm n TYR 17 N -4.26 0.17 0.20 3.99 4.01 -0.68 -4.46 117.16 116.13 1gqm n TYR 17 Ca 0.24 0.06 0.09 0.00 -0.16 0.00 0.00 57.90 58.14 1gqm n TYR 17 Cb 1.15 -0.96 0.22 0.00 -0.31 0.00 0.00 39.34 39.44 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 0.01 7.72 4.64 0.07 -3.18 113.55 122.81 1gqm h SER 18 Ca -0.42 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.82 1gqm h SER 18 Cb 2.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.09 1gqm h SER 18 CO 0.03 0.19 -0.22 -0.37 -0.87 0.00 0.00 176.83 175.59 1gqm h VAL 19 N 0.00 1.24 -0.44 0.95 -1.51 -1.40 -3.38 116.25 111.71 1gqm h VAL 19 Ca -0.00 -1.12 0.09 0.00 -1.23 0.00 0.00 66.70 64.43 1gqm h VAL 19 Cb 1.03 1.33 -0.08 0.00 -2.13 0.00 0.00 31.29 31.44 1gqm h VAL 19 CO 0.02 0.35 -0.07 0.03 -1.23 0.00 0.00 177.57 176.68 1gqm h ARG 20 N 0.32 0.04 -4.58 5.19 3.08 -1.80 -3.44 114.38 113.19 1gqm h ARG 20 Ca 0.05 -0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.86 1gqm h ARG 20 Cb 0.57 -0.01 -0.18 0.00 0.08 0.00 0.00 29.97 30.43 1gqm h ARG 20 CO 0.04 0.03 -0.71 0.15 -1.07 0.00 0.00 179.97 178.40 1gqm s LYS 21 N -6.20 0.67 4.28 0.04 1.02 -1.26 -5.10 119.74 113.19 1gqm s LYS 21 Ca -0.14 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1gqm s LYS 21 Cb 0.15 -0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 1gqm s LYS 21 CO 0.71 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.56 1gqm n GLY 22 N 0.69 2.16 3.72 -3.33 0.00 -1.26 -4.61 105.19 102.55 1gqm n GLY 22 Ca -0.17 -0.42 -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 9.86 2.53 0.28 1.61 8.25 -1.26 -4.86 115.22 131.62 1gqm n HIS 23 Ca 0.00 0.48 0.16 0.00 -0.26 0.00 0.00 57.72 58.10 1gqm n HIS 23 Cb 0.00 -2.47 0.72 0.00 1.12 0.00 0.00 29.99 29.36 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 3.09 0.00 -0.01 4.41 -1.00 -1.82 -3.22 116.94 118.38 1gqm h PHE 24 Ca -0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.31 1gqm h PHE 24 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 1gqm h PHE 24 CO 0.53 0.05 -0.14 -0.40 -1.61 0.00 0.00 178.31 176.74 1gqm n ASP 25 N -3.20 1.89 -4.20 2.17 5.68 -1.26 -3.43 116.55 114.20 1gqm n ASP 25 Ca -0.00 -1.45 -0.20 0.00 -0.50 0.00 0.00 54.79 52.64 1gqm n ASP 25 Cb 0.29 0.22 -0.12 0.00 -1.14 0.00 0.00 41.12 40.37 1gqm n ASP 25 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1gqm s THR 26 N -1.48 1.26 -0.19 2.12 -4.23 -1.22 -4.45 115.64 107.45 1gqm s THR 26 Ca 0.15 -1.37 -0.19 0.00 -1.18 0.00 0.00 61.69 59.10 1gqm s THR 26 Cb 0.12 -1.19 -0.03 0.00 1.34 0.00 0.00 72.50 72.74 1gqm s THR 26 CO 0.27 -0.19 0.56 -0.76 -0.54 0.00 0.00 174.62 173.97 1gqm s LEU 27 N -1.78 4.16 0.74 4.79 1.43 -0.29 -4.67 118.68 123.06 1gqm s LEU 27 Ca 0.00 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 53.76 1gqm s LEU 27 Cb -0.10 -2.79 0.05 0.00 0.03 0.00 0.00 46.19 43.38 1gqm s LEU 27 CO 0.03 -0.20 1.10 -0.94 0.23 0.00 0.00 176.35 176.57 1gqm s SER 28 N 1.12 4.96 0.22 2.29 1.04 -1.26 -0.98 113.70 121.09 1gqm s SER 28 Ca 0.26 0.85 -0.08 0.00 0.48 0.00 0.00 55.95 57.46 1gqm s SER 28 Cb -0.16 -1.51 0.35 0.00 0.10 0.00 0.00 66.02 64.81 1gqm s SER 28 CO 0.10 -1.60 1.69 0.50 0.98 0.00 0.00 173.24 174.92 1gqm h LYS 29 N -0.78 0.24 0.40 4.02 3.64 -1.99 0.47 116.57 122.57 1gqm h LYS 29 Ca -0.45 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1gqm h LYS 29 Cb 1.30 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1gqm h LYS 29 CO 0.64 0.16 -0.30 0.78 -2.27 0.00 0.00 179.45 178.46 1gqm h GLY 30 N 0.25 -0.74 0.62 5.01 0.00 -1.97 0.64 103.07 106.88 1gqm h GLY 30 Ca 0.35 0.34 0.08 0.00 0.00 0.00 0.00 47.33 48.10 1gqm h GLY 30 CO -0.45 -0.28 0.53 0.83 0.00 0.00 0.00 176.54 177.17 1gqm h GLU 31 N -0.69 0.89 -0.61 4.80 5.08 -1.47 0.22 114.58 122.81 1gqm h GLU 31 Ca -0.04 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1gqm h GLU 31 Cb 0.59 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1gqm h GLU 31 CO 0.00 0.59 0.11 1.25 -1.00 0.00 0.00 179.01 179.96 1gqm h LEU 32 N 0.92 0.92 -0.97 1.33 5.85 0.57 -0.64 115.31 123.29 1gqm h LEU 32 Ca 0.40 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1gqm h LEU 32 Cb 0.28 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1gqm h LEU 32 CO -0.21 0.92 0.64 0.50 -0.34 0.00 0.00 178.44 179.94 1gqm h LYS 33 N 0.92 1.29 -0.30 1.25 3.64 0.35 -0.26 116.57 123.47 1gqm h LYS 33 Ca 0.19 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1gqm h LYS 33 Cb 0.39 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1gqm h LYS 33 CO 0.01 0.86 0.04 1.96 -2.27 0.00 0.00 179.45 180.05 1gqm h GLN 34 N 1.33 0.50 0.35 1.90 4.20 -0.96 0.21 115.11 122.63 1gqm h GLN 34 Ca 0.36 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1gqm h GLN 34 Cb -0.14 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1gqm h GLN 34 CO -0.08 0.61 -0.22 1.25 -0.67 0.00 0.00 178.83 179.72 1gqm h LEU 35 N 0.31 -0.56 -0.15 1.46 6.46 -0.54 -0.29 115.31 122.00 1gqm h LEU 35 Ca 0.09 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 1gqm h LEU 35 Cb 0.36 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 1gqm h LEU 35 CO 0.01 -0.35 -0.05 -0.07 -0.62 0.00 0.00 178.44 177.35 1gqm h LEU 36 N -0.56 -0.18 -1.89 2.25 3.38 -1.03 0.29 115.31 117.58 1gqm h LEU 36 Ca -0.04 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1gqm h LEU 36 Cb 0.46 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1gqm h LEU 36 CO 0.03 -0.07 -0.12 0.71 0.09 0.00 0.00 178.44 179.08 1gqm h THR 37 N -0.02 0.78 0.00 0.22 1.35 -0.25 -0.54 112.91 114.45 1gqm h THR 37 Ca 0.08 -0.48 -0.37 0.00 -0.55 0.00 0.00 66.41 65.08 1gqm h THR 37 Cb 0.14 1.28 -0.06 0.00 -1.73 0.00 0.00 68.15 67.78 1gqm h THR 37 CO -0.16 0.12 -2.32 1.17 -0.25 0.00 0.00 175.52 174.08 1gqm n LYS 38 N -3.95 0.54 0.20 4.72 4.81 -0.15 -4.32 118.16 120.02 1gqm n LYS 38 Ca -0.02 0.18 0.11 0.00 -0.87 0.00 0.00 58.31 57.70 1gqm n LYS 38 Cb 0.21 -1.41 0.14 0.00 0.02 0.00 0.00 35.03 34.00 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 -0.42 0.00 0.00 1.64 4.39 -0.95 -3.36 114.58 115.88 1gqm h GLU 39 Ca -0.56 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.14 1gqm h GLU 39 Cb 1.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 1gqm h GLU 39 CO -0.22 0.06 -0.02 1.28 -1.16 0.00 0.00 179.01 178.94 1gqm n LEU 40 N -3.09 1.75 -0.17 1.33 4.32 -0.21 -4.75 117.00 116.17 1gqm n LEU 40 Ca 0.04 -1.95 0.29 0.00 -0.02 0.00 0.00 56.01 54.37 1gqm n LEU 40 Cb 0.55 -0.09 0.72 0.00 -1.62 0.00 0.00 43.42 42.98 1gqm n LEU 40 CO 0.35 0.47 1.27 0.00 -1.22 0.00 0.00 177.39 178.26 1gqm h ALA 41 N 0.00 2.79 -0.55 -1.18 0.00 -1.71 0.88 119.26 119.49 1gqm h ALA 41 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1gqm h ALA 41 Cb 0.70 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.39 1gqm h ALA 41 CO 0.00 -1.19 0.11 0.09 0.00 0.00 0.00 179.25 178.26 1gqm n ASN 42 N -4.01 3.02 0.00 0.00 3.02 -1.26 -4.62 115.26 111.41 1gqm n ASN 42 Ca 0.19 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.99 1gqm n ASN 42 Cb 1.04 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.12 0.00 -3.78 3.41 -1.04 0.29 -5.03 114.28 107.01 1gqm n THR 43 Ca 0.42 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 62.06 1gqm n THR 43 Cb 1.19 -0.98 -0.12 0.00 -1.82 0.00 0.00 70.33 68.60 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 -1.95 4.48 0.26 12.58 1.01 -1.13 -4.93 121.20 131.53 1gqm s ILE 44 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.24 1gqm s ILE 44 Cb 0.00 -3.09 -0.14 0.00 0.01 0.00 0.00 42.46 39.24 1gqm s ILE 44 CO 0.00 0.34 1.07 1.17 0.00 0.00 0.00 174.94 177.52 1gqm n LYS 45 N 4.76 1.36 -2.13 2.79 4.81 -1.26 -1.73 118.16 126.75 1gqm n LYS 45 Ca -0.16 0.48 -0.11 0.00 -0.87 0.00 0.00 58.31 57.65 1gqm n LYS 45 Cb 0.52 -1.89 -0.02 0.00 0.02 0.00 0.00 35.03 33.65 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 1.44 -3.50 0.00 3.14 5.03 -1.26 -4.73 115.26 115.38 1gqm n ASN 46 Ca 0.11 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.79 1gqm n ASN 46 Cb 0.30 -3.07 0.00 0.00 -1.02 0.00 0.00 39.78 35.99 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 -2.88 1.62 1.05 2.41 0.13 -0.71 -0.80 119.36 120.18 1gqm n ILE 47 Ca -0.13 0.47 0.13 0.00 -1.10 0.00 0.00 62.75 62.12 1gqm n ILE 47 Cb 0.54 -1.47 0.41 0.00 -0.84 0.00 0.00 39.64 38.27 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 -1.40 0.10 -2.69 9.51 5.02 -1.26 -4.68 118.16 122.76 1gqm n LYS 48 Ca 0.00 -0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.84 1gqm n LYS 48 Cb 0.07 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 1gqm n LYS 48 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gqm s ASP 49 N -2.93 7.50 0.19 4.39 1.01 0.02 -4.94 116.67 121.92 1gqm s ASP 49 Ca 0.14 1.91 -0.12 0.00 0.71 0.00 0.00 52.55 55.20 1gqm s ASP 49 Cb 0.18 -2.60 0.19 0.00 1.01 0.00 0.00 42.92 41.71 1gqm s ASP 49 CO 0.62 -0.02 1.76 0.50 0.21 0.00 0.00 175.17 178.24 1gqm h LYS 50 N 4.94 0.42 -0.79 8.23 3.64 -1.89 -0.82 116.57 130.31 1gqm h LYS 50 Ca -0.44 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1gqm h LYS 50 Cb 1.21 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 1gqm h LYS 50 CO 0.70 0.28 0.50 0.00 -2.27 0.00 0.00 179.45 178.66 1gqm h ALA 51 N 1.34 1.06 -0.55 5.00 0.00 -1.95 -1.62 119.26 122.54 1gqm h ALA 51 Ca 0.26 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1gqm h ALA 51 Cb 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1gqm h ALA 51 CO -0.23 0.27 0.01 0.28 0.00 0.00 0.00 179.25 179.59 1gqm h VAL 52 N 0.94 1.25 -0.38 0.00 2.07 -1.47 -1.70 116.25 116.96 1gqm h VAL 52 Ca 0.33 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1gqm h VAL 52 Cb 0.08 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1gqm h VAL 52 CO -0.14 0.38 0.19 0.40 0.02 0.00 0.00 177.57 178.42 1gqm h ILE 53 N 0.86 1.16 0.22 4.57 2.04 -0.95 -1.38 117.51 124.04 1gqm h ILE 53 Ca 0.16 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1gqm h ILE 53 Cb 0.49 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1gqm h ILE 53 CO 0.02 0.17 -0.25 0.44 0.00 0.00 0.00 178.15 178.53 1gqm h ASP 54 N 0.47 -0.69 -0.60 1.72 3.32 -0.94 0.57 116.42 120.28 1gqm h ASP 54 Ca 0.13 0.07 0.12 0.00 0.02 0.00 0.00 57.03 57.37 1gqm h ASP 54 Cb 0.11 0.24 -0.11 0.00 0.22 0.00 0.00 39.33 39.79 1gqm h ASP 54 CO -0.02 -0.36 -0.08 -0.08 -1.72 0.00 0.00 179.24 176.98 1gqm h GLU 55 N -0.52 0.05 -0.33 3.56 4.81 -1.13 0.20 114.58 121.22 1gqm h GLU 55 Ca 0.00 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1gqm h GLU 55 Cb 0.50 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1gqm h GLU 55 CO -0.08 0.03 0.06 0.82 -0.73 0.00 0.00 179.01 179.12 1gqm h ILE 56 N 0.05 1.23 -0.53 2.32 2.04 -0.65 -0.28 117.51 121.69 1gqm h ILE 56 Ca 0.30 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.40 1gqm h ILE 56 Cb 0.47 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 1gqm h ILE 56 CO -0.56 0.27 0.29 0.15 0.00 0.00 0.00 178.15 178.29 1gqm h PHE 57 N 0.38 0.54 0.00 1.37 3.57 0.13 -2.13 116.94 120.80 1gqm h PHE 57 Ca 0.10 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1gqm h PHE 57 Cb 0.34 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1gqm h PHE 57 CO 0.02 0.28 -0.25 1.96 -2.23 0.00 0.00 178.31 178.10 1gqm h GLN 58 N 0.57 0.00 0.00 1.11 1.08 0.24 -2.35 115.11 115.76 1gqm h GLN 58 Ca 0.23 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.22 1gqm h GLN 58 Cb 0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1gqm h GLN 58 CO -0.13 0.25 -0.99 0.78 -0.95 0.00 0.00 178.83 177.78 1gqm h GLY 59 N 1.37 0.01 1.89 3.46 0.00 -0.54 -3.31 103.07 105.95 1gqm h GLY 59 Ca -0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 47.33 47.10 1gqm h GLY 59 CO 0.03 0.02 -0.98 1.41 0.00 0.00 0.00 176.54 177.02 1gqm h LEU 60 N 0.00 0.12 -5.60 3.11 3.38 -1.03 -3.37 115.31 111.92 1gqm h LEU 60 Ca -0.01 -0.12 -0.71 0.00 0.09 0.00 0.00 57.88 57.13 1gqm h LEU 60 Cb 1.75 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.42 1gqm h LEU 60 CO 0.13 1.03 3.16 -0.67 0.09 0.00 0.00 178.44 182.18 1gqm n ASP 61 N -3.48 6.72 -0.29 -0.43 2.03 -0.92 -4.74 116.55 115.44 1gqm n ASP 61 Ca -0.02 -2.82 0.12 0.00 0.52 0.00 0.00 54.79 52.59 1gqm n ASP 61 Cb 0.90 -1.54 0.28 0.00 -0.72 0.00 0.00 41.12 40.04 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 5.32 1.29 -0.25 -1.67 0.00 -1.82 -0.37 119.26 121.76 1gqm h ALA 62 Ca 0.69 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.79 1gqm h ALA 62 Cb 0.44 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1gqm h ALA 62 CO 1.74 -0.40 0.00 0.27 0.00 0.00 0.00 179.25 180.87 1gqm n ASN 63 N -5.14 1.77 -2.70 0.00 6.94 -1.26 -4.95 115.26 109.91 1gqm n ASN 63 Ca 0.21 -1.84 -0.21 0.00 -0.02 0.00 0.00 54.58 52.71 1gqm n ASN 63 Cb 0.64 -0.17 0.01 0.00 -2.36 0.00 0.00 39.78 37.90 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 0.42 -3.15 -0.47 -3.83 1.13 -0.15 -4.87 117.38 106.46 1gqm n GLN 64 Ca 0.14 0.92 0.07 0.00 -1.94 0.00 0.00 57.00 56.19 1gqm n GLN 64 Cb 0.31 -5.67 0.26 0.00 0.11 0.00 0.00 30.24 25.26 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 -2.23 3.66 -0.74 1.08 5.75 -1.26 -4.90 116.55 117.91 1gqm n ASP 65 Ca -0.18 -2.35 -0.10 0.00 -0.01 0.00 0.00 54.79 52.15 1gqm n ASP 65 Cb 0.65 -0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 40.19 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 0.73 -1.42 -4.12 0.11 -0.58 -1.26 -4.94 120.64 109.15 1gqm n GLU 66 Ca 0.19 0.81 -0.16 0.00 -0.42 0.00 0.00 57.16 57.58 1gqm n GLU 66 Cb 0.70 -5.05 -0.12 0.00 -0.57 0.00 0.00 31.44 26.40 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 -2.68 0.68 -0.38 3.49 -1.52 -1.26 -4.42 119.66 113.58 1gqm s GLN 67 Ca 0.00 -0.85 -0.06 0.00 -1.95 0.00 0.00 55.36 52.50 1gqm s GLN 67 Cb 0.00 -0.57 0.07 0.00 -0.22 0.00 0.00 33.01 32.29 1gqm s GLN 67 CO 0.00 0.12 0.17 0.08 -0.25 0.00 0.00 175.29 175.41 1gqm s VAL 68 N -1.31 3.78 0.73 1.09 1.01 -0.15 -4.67 120.40 120.89 1gqm s VAL 68 Ca -0.06 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 1gqm s VAL 68 Cb -0.10 -3.29 0.12 0.00 0.00 0.00 0.00 36.38 33.11 1gqm s VAL 68 CO 0.01 -0.38 1.02 1.51 0.00 0.00 0.00 175.10 177.26 1gqm s ASP 69 N 1.73 4.34 0.31 3.32 1.47 -1.26 -1.14 116.67 125.45 1gqm s ASP 69 Ca 0.01 -0.11 -0.01 0.00 1.18 0.00 0.00 52.55 53.62 1gqm s ASP 69 Cb -0.21 -0.32 0.48 0.00 -0.34 0.00 0.00 42.92 42.53 1gqm s ASP 69 CO 0.01 -1.87 1.94 0.15 0.68 0.00 0.00 175.17 176.08 1gqm h PHE 70 N -0.63 0.93 -0.47 2.11 3.57 -1.99 0.34 116.94 120.80 1gqm h PHE 70 Ca -0.39 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.03 1gqm h PHE 70 Cb 1.27 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1gqm h PHE 70 CO -0.19 0.64 0.02 1.96 -2.23 0.00 0.00 178.31 178.50 1gqm h GLN 71 N 0.97 0.76 0.00 1.11 1.08 -1.98 -1.41 115.11 115.64 1gqm h GLN 71 Ca 0.25 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1gqm h GLN 71 Cb -0.00 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1gqm h GLN 71 CO -0.04 0.76 -0.38 0.93 -0.95 0.00 0.00 178.83 179.15 1gqm h GLU 72 N 0.72 0.00 0.00 1.46 5.08 -1.41 -2.69 114.58 117.74 1gqm h GLU 72 Ca 0.14 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1gqm h GLU 72 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1gqm h GLU 72 CO 0.02 0.38 -0.22 0.35 -1.00 0.00 0.00 179.01 178.54 1gqm h PHE 73 N 0.00 0.00 -0.59 4.33 -0.00 0.09 -3.16 116.94 117.61 1gqm h PHE 73 Ca -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.97 57.98 1gqm h PHE 73 Cb 0.77 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.69 1gqm h PHE 73 CO 0.00 0.22 0.39 0.82 -0.00 0.00 0.00 178.31 179.74 1gqm h ILE 74 N 0.00 1.12 -0.11 1.41 2.04 -1.10 0.61 117.51 121.48 1gqm h ILE 74 Ca -0.00 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1gqm h ILE 74 Cb 0.85 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1gqm h ILE 74 CO 0.03 0.14 -0.06 0.28 0.00 0.00 0.00 178.15 178.54 1gqm h SER 75 N 0.75 0.15 0.27 1.72 0.02 -1.71 0.85 113.55 115.61 1gqm h SER 75 Ca 0.23 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.03 1gqm h SER 75 Cb -0.01 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1gqm h SER 75 CO -0.06 0.23 -0.50 0.25 -1.14 0.00 0.00 176.83 175.61 1gqm h LEU 76 N 0.16 0.29 -0.62 5.07 5.85 0.08 -1.41 115.31 124.73 1gqm h LEU 76 Ca 0.04 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 1gqm h LEU 76 Cb 0.21 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1gqm h LEU 76 CO 0.01 0.74 -0.17 0.58 -0.34 0.00 0.00 178.44 179.26 1gqm h VAL 77 N 0.21 1.27 0.01 1.05 2.07 -0.42 -1.32 116.25 119.11 1gqm h VAL 77 Ca 0.01 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1gqm h VAL 77 Cb 0.96 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1gqm h VAL 77 CO 0.08 0.45 -0.01 0.00 0.02 0.00 0.00 177.57 178.11 1gqm h ALA 78 N 0.99 -0.02 -0.23 1.67 0.00 -0.67 0.29 119.26 121.29 1gqm h ALA 78 Ca 0.12 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1gqm h ALA 78 Cb 0.72 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1gqm h ALA 78 CO 0.06 -0.51 -0.08 0.82 0.00 0.00 0.00 179.25 179.54 1gqm h ILE 79 N -0.03 0.73 -0.76 0.00 2.04 -1.04 -2.28 117.51 116.17 1gqm h ILE 79 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1gqm h ILE 79 Cb 0.03 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1gqm h ILE 79 CO -0.01 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.46 1gqm h ALA 80 N 1.19 0.98 -0.87 1.87 0.00 -0.86 -2.10 119.26 119.47 1gqm h ALA 80 Ca 0.11 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1gqm h ALA 80 Cb 0.20 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1gqm h ALA 80 CO -0.25 0.60 0.57 -0.07 0.00 0.00 0.00 179.25 180.10 1gqm h LEU 81 N 1.09 1.01 -0.80 0.00 3.38 -0.29 0.14 115.31 119.85 1gqm h LEU 81 Ca 0.25 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 1gqm h LEU 81 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1gqm h LEU 81 CO -0.02 0.73 -0.05 0.50 0.09 0.00 0.00 178.44 179.69 1gqm h LYS 82 N 1.19 0.85 -0.04 1.13 3.64 -0.80 -1.10 116.57 121.44 1gqm h LYS 82 Ca 0.32 -0.26 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1gqm h LYS 82 Cb -0.13 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1gqm h LYS 82 CO -0.07 0.89 -0.60 0.00 -2.27 0.00 0.00 179.45 177.40 1gqm h ALA 83 N 1.16 0.92 -0.16 5.00 0.00 -0.73 -2.32 119.26 123.13 1gqm h ALA 83 Ca 0.14 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 1gqm h ALA 83 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1gqm h ALA 83 CO 0.03 0.74 -0.67 0.00 0.00 0.00 0.00 179.25 179.34 1gqm h ALA 84 N 1.28 0.52 0.00 0.00 0.00 -0.26 -2.98 119.26 117.82 1gqm h ALA 84 Ca -0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 1gqm h ALA 84 Cb 1.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1gqm h ALA 84 CO 0.09 0.71 -0.24 1.25 0.00 0.00 0.00 179.25 181.05 1gqm h HIS 85 N 0.45 0.00 -0.06 0.00 -0.00 -1.10 -3.16 115.15 111.27 1gqm h HIS 85 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 60.37 60.12 1gqm h HIS 85 Cb 1.26 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.68 1gqm h HIS 85 CO 0.06 0.24 -0.87 -0.92 -0.00 0.00 0.00 177.93 176.45 1gqm h TYR 86 N 0.00 0.83 0.00 5.26 3.20 -1.27 -3.51 116.97 121.47 1gqm h TYR 86 Ca -0.00 -0.40 0.00 0.00 3.14 0.00 0.00 58.73 61.46 1gqm h TYR 86 Cb 0.76 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1gqm h TYR 86 CO 0.00 1.22 0.00 -2.39 -1.64 0.00 0.00 178.16 175.35