#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 0.07 -0.53 -0.78 1.57 -2.05 0.34 116.57 115.19 1gqm h LYS 2 Ca 0.00 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1gqm h LYS 2 Cb 0.00 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 1gqm h LYS 2 CO 0.00 0.05 0.17 1.25 -0.57 0.00 0.00 179.45 180.35 1gqm h LEU 3 N 0.07 0.15 -0.73 2.94 5.85 -2.05 0.36 115.31 121.89 1gqm h LEU 3 Ca 0.02 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1gqm h LEU 3 Cb -0.00 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1gqm h LEU 3 CO -0.01 0.11 0.45 -0.33 -0.34 0.00 0.00 178.44 178.31 1gqm h GLU 4 N 0.34 0.82 -0.62 1.25 5.08 -1.86 0.31 114.58 119.90 1gqm h GLU 4 Ca 0.26 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1gqm h GLU 4 Cb 0.31 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1gqm h GLU 4 CO -0.28 0.54 0.37 0.93 -1.00 0.00 0.00 179.01 179.57 1gqm h GLU 5 N 0.85 0.83 -0.28 2.33 5.08 0.35 -0.47 114.58 123.27 1gqm h GLU 5 Ca 0.31 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.46 1gqm h GLU 5 Cb 0.09 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1gqm h GLU 5 CO -0.14 0.58 -0.36 0.45 -1.00 0.00 0.00 179.01 178.54 1gqm h HIS 6 N 0.85 0.90 0.11 4.33 3.86 0.55 -0.66 115.15 125.09 1gqm h HIS 6 Ca 0.22 -0.29 0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1gqm h HIS 6 Cb -0.03 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 1gqm h HIS 6 CO 0.00 1.06 -0.19 -0.07 0.86 0.00 0.00 177.93 179.59 1gqm h LEU 7 N 0.48 -0.54 -1.38 2.43 3.38 -0.43 0.06 115.31 119.31 1gqm h LEU 7 Ca 0.03 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.20 1gqm h LEU 7 Cb 0.95 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1gqm h LEU 7 CO 0.09 -0.28 0.54 -0.08 0.09 0.00 0.00 178.44 178.80 1gqm h GLU 8 N -0.37 0.60 -0.12 1.13 4.81 -1.07 0.11 114.58 119.67 1gqm h GLU 8 Ca 0.03 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1gqm h GLU 8 Cb 0.39 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1gqm h GLU 8 CO -0.11 0.40 -0.08 0.78 -0.73 0.00 0.00 179.01 179.28 1gqm h GLY 9 N 0.62 0.03 0.86 1.92 0.00 0.24 0.12 103.07 106.86 1gqm h GLY 9 Ca 0.41 0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.87 1gqm h GLY 9 CO -0.17 -0.09 0.63 -2.22 0.00 0.00 0.00 176.54 174.69 1gqm h ILE 10 N -0.08 1.15 -0.44 2.60 2.04 0.83 -1.41 117.51 122.20 1gqm h ILE 10 Ca 0.07 -0.42 -0.12 0.00 1.00 0.00 0.00 64.86 65.39 1gqm h ILE 10 Cb 0.18 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 1gqm h ILE 10 CO -0.17 0.22 -0.21 0.58 0.00 0.00 0.00 178.15 178.57 1gqm h VAL 11 N 1.21 1.27 -0.61 1.67 2.07 -0.01 -2.39 116.25 119.46 1gqm h VAL 11 Ca 0.39 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 1gqm h VAL 11 Cb 0.02 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1gqm h VAL 11 CO -0.13 0.46 0.25 0.78 0.02 0.00 0.00 177.57 178.95 1gqm h ASN 12 N 0.77 0.83 -0.67 0.57 2.35 -0.16 -1.83 115.58 117.44 1gqm h ASN 12 Ca 0.10 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1gqm h ASN 12 Cb 0.76 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 1gqm h ASN 12 CO 0.06 0.77 0.32 0.40 -1.65 0.00 0.00 177.43 177.34 1gqm h ILE 13 N 0.85 1.22 -0.14 2.81 5.03 -1.12 0.30 117.51 126.46 1gqm h ILE 13 Ca 0.20 -0.63 0.04 0.00 -0.12 0.00 0.00 64.86 64.35 1gqm h ILE 13 Cb 0.19 0.41 -0.04 0.00 -3.03 0.00 0.00 36.82 34.35 1gqm h ILE 13 CO -0.02 0.26 -0.11 0.15 -0.68 0.00 0.00 178.15 177.76 1gqm h PHE 14 N 0.93 -0.26 -0.25 1.37 3.57 -1.02 -2.50 116.94 118.76 1gqm h PHE 14 Ca 0.23 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 1gqm h PHE 14 Cb 0.12 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1gqm h PHE 14 CO 0.00 -0.16 -0.08 0.45 -2.23 0.00 0.00 178.31 176.29 1gqm h HIS 15 N -0.12 0.42 -0.67 0.41 3.86 -0.62 0.57 115.15 119.00 1gqm h HIS 15 Ca 0.09 -0.05 0.16 0.00 -1.16 0.00 0.00 60.37 59.41 1gqm h HIS 15 Cb 0.25 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 1gqm h HIS 15 CO -0.23 0.48 0.46 0.37 0.86 0.00 0.00 177.93 179.87 1gqm h GLN 16 N 0.38 0.18 0.00 2.45 4.15 -0.53 -1.06 115.11 120.68 1gqm h GLN 16 Ca 0.08 -0.01 -0.37 0.00 0.77 0.00 0.00 58.65 59.12 1gqm h GLN 16 Cb 0.38 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.96 1gqm h GLN 16 CO 0.02 0.12 -2.36 0.66 -1.93 0.00 0.00 178.83 175.34 1gqm n TYR 17 N -4.41 0.08 0.10 3.99 4.01 -0.50 -4.45 117.16 115.98 1gqm n TYR 17 Ca 0.13 0.03 -0.03 0.00 -0.16 0.00 0.00 57.90 57.87 1gqm n TYR 17 Cb 0.61 -1.01 0.18 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 0.21 0.53 7.72 4.64 -0.09 -2.93 113.55 123.64 1gqm h SER 18 Ca -0.54 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1gqm h SER 18 Cb 2.17 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 64.20 1gqm h SER 18 CO 0.01 0.69 0.00 1.33 -0.87 0.00 0.00 176.83 178.00 1gqm n VAL 19 N -3.94 0.97 -0.05 0.95 0.24 -0.48 -3.92 118.33 112.10 1gqm n VAL 19 Ca -0.02 0.32 -0.10 0.00 -2.04 0.00 0.00 64.34 62.50 1gqm n VAL 19 Cb 0.55 -1.23 -0.04 0.00 -1.47 0.00 0.00 33.84 31.65 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 0.00 0.27 -4.50 7.34 3.08 -1.76 -3.46 114.38 115.36 1gqm h ARG 20 Ca 0.00 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.82 1gqm h ARG 20 Cb 0.27 -0.06 -0.16 0.00 0.08 0.00 0.00 29.97 30.09 1gqm h ARG 20 CO 0.00 0.23 -0.70 0.15 -1.07 0.00 0.00 179.97 178.58 1gqm s LYS 21 N -5.99 0.70 1.56 0.04 -0.14 -1.25 -5.09 119.74 109.56 1gqm s LYS 21 Ca -0.13 -1.16 0.00 0.00 -1.36 0.00 0.00 55.97 53.31 1gqm s LYS 21 Cb 0.08 -0.11 0.00 0.00 -1.68 0.00 0.00 37.83 36.13 1gqm s LYS 21 CO 0.70 -0.03 0.00 0.41 -0.76 0.00 0.00 175.35 175.67 1gqm n GLY 22 N 0.35 1.33 3.77 -3.33 0.00 -1.26 -4.56 105.19 101.49 1gqm n GLY 22 Ca -0.15 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 1gqm n GLY 22 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gqm s HIS 23 N 0.00 2.74 0.21 1.61 3.76 -1.26 -4.81 115.29 117.54 1gqm s HIS 23 Ca 0.00 1.29 0.36 0.00 -0.15 0.00 0.00 55.06 56.56 1gqm s HIS 23 Cb 0.00 -3.86 1.58 0.00 1.11 0.00 0.00 32.58 31.41 1gqm s HIS 23 CO 0.00 -2.52 2.06 0.74 -0.85 0.00 0.00 174.74 174.18 1gqm h PHE 24 N 2.97 0.00 -0.37 1.40 0.04 -1.80 -3.21 116.94 115.96 1gqm h PHE 24 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 1gqm h PHE 24 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1gqm h PHE 24 CO 0.53 0.00 0.00 -0.25 -0.60 0.00 0.00 178.31 178.00 1gqm n ASP 25 N -3.09 3.45 -4.04 2.17 8.00 -1.26 -3.23 116.55 118.54 1gqm n ASP 25 Ca -0.00 -1.99 -0.10 0.00 0.71 0.00 0.00 54.79 53.41 1gqm n ASP 25 Cb 0.26 -0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 41.01 1gqm n ASP 25 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1gqm s THR 26 N -1.50 0.33 -0.18 -3.53 -4.23 -1.21 -4.43 115.64 100.89 1gqm s THR 26 Ca 0.38 -1.22 -0.17 0.00 -1.18 0.00 0.00 61.69 59.51 1gqm s THR 26 Cb 0.23 -0.73 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 1gqm s THR 26 CO 0.31 -0.58 0.43 -0.76 -0.54 0.00 0.00 174.62 173.48 1gqm s LEU 27 N -1.90 4.19 0.69 4.79 1.43 0.03 -4.70 118.68 123.22 1gqm s LEU 27 Ca -0.07 0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 53.59 1gqm s LEU 27 Cb -0.06 -2.57 0.08 0.00 0.03 0.00 0.00 46.19 43.67 1gqm s LEU 27 CO -0.02 -0.06 0.98 -0.94 0.23 0.00 0.00 176.35 176.54 1gqm s SER 28 N 0.91 4.71 0.21 2.29 1.04 -1.26 0.37 113.70 121.96 1gqm s SER 28 Ca 0.21 0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.77 1gqm s SER 28 Cb -0.15 -0.83 0.29 0.00 0.10 0.00 0.00 66.02 65.44 1gqm s SER 28 CO 0.08 -1.63 1.76 0.50 0.98 0.00 0.00 173.24 174.93 1gqm h LYS 29 N -0.53 0.45 -0.07 4.02 3.64 -1.98 0.66 116.57 122.77 1gqm h LYS 29 Ca -0.43 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1gqm h LYS 29 Cb 1.30 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1gqm h LYS 29 CO 0.54 0.30 0.03 0.78 -2.27 0.00 0.00 179.45 178.83 1gqm h GLY 30 N 0.47 0.11 0.85 5.01 0.00 -1.97 1.02 103.07 108.55 1gqm h GLY 30 Ca 0.32 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.63 1gqm h GLY 30 CO -0.29 0.05 0.44 0.83 0.00 0.00 0.00 176.54 177.57 1gqm h GLU 31 N -0.02 0.83 -0.54 4.80 5.08 -1.48 -0.93 114.58 122.32 1gqm h GLU 31 Ca 0.02 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1gqm h GLU 31 Cb 0.12 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1gqm h GLU 31 CO -0.00 0.55 -0.08 1.25 -1.00 0.00 0.00 179.01 179.73 1gqm h LEU 32 N 0.86 0.99 0.12 1.33 5.85 0.11 -2.11 115.31 122.46 1gqm h LEU 32 Ca 0.29 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1gqm h LEU 32 Cb 0.04 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1gqm h LEU 32 CO -0.12 1.09 -0.49 0.50 -0.34 0.00 0.00 178.44 179.08 1gqm h LYS 33 N 0.90 -0.69 -0.20 1.25 3.64 0.22 -0.37 116.57 121.32 1gqm h LYS 33 Ca 0.15 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1gqm h LYS 33 Cb 0.63 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.53 1gqm h LYS 33 CO 0.04 -0.46 -0.38 1.96 -2.27 0.00 0.00 179.45 178.34 1gqm h GLN 34 N -0.72 -0.40 -0.32 1.90 1.08 -0.77 -1.36 115.11 114.52 1gqm h GLN 34 Ca 0.01 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.31 1gqm h GLN 34 Cb 0.74 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 28.18 1gqm h GLN 34 CO -0.27 -0.27 -0.24 1.25 -0.95 0.00 0.00 178.83 178.35 1gqm h LEU 35 N -0.41 -0.80 0.26 1.46 6.46 -1.08 0.09 115.31 121.30 1gqm h LEU 35 Ca 0.10 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 58.02 1gqm h LEU 35 Cb 0.59 0.39 -0.03 0.00 -0.73 0.00 0.00 40.66 40.88 1gqm h LEU 35 CO -0.42 -0.27 -0.36 -0.07 -0.62 0.00 0.00 178.44 176.69 1gqm h LEU 36 N -0.21 -1.02 -0.55 2.25 3.38 -0.49 0.16 115.31 118.83 1gqm h LEU 36 Ca 0.16 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1gqm h LEU 36 Cb 0.47 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1gqm h LEU 36 CO -0.44 -0.48 0.00 0.71 0.09 0.00 0.00 178.44 178.31 1gqm h THR 37 N -0.69 0.00 0.00 0.22 1.35 -0.41 -0.58 112.91 112.80 1gqm h THR 37 Ca -0.00 -0.36 -0.22 0.00 -0.55 0.00 0.00 66.41 65.27 1gqm h THR 37 Cb 0.65 1.21 -0.04 0.00 -1.73 0.00 0.00 68.15 68.24 1gqm h THR 37 CO -0.12 0.00 -2.03 1.17 -0.25 0.00 0.00 175.52 174.29 1gqm n LYS 38 N -2.37 1.16 -0.01 4.72 4.81 -0.06 -4.32 118.16 122.09 1gqm n LYS 38 Ca 0.03 -0.05 0.09 0.00 -0.87 0.00 0.00 58.31 57.51 1gqm n LYS 38 Cb 0.31 -1.41 -0.13 0.00 0.02 0.00 0.00 35.03 33.82 1gqm n LYS 38 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1gqm n GLU 39 N -2.47 0.77 -0.48 1.64 -0.58 0.52 -4.60 120.64 115.45 1gqm n GLU 39 Ca -0.21 -0.11 0.07 0.00 -0.42 0.00 0.00 57.16 56.50 1gqm n GLU 39 Cb 0.88 -1.40 0.16 0.00 -0.57 0.00 0.00 31.44 30.52 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 -1.88 2.31 0.05 -4.62 4.77 -0.23 -4.82 117.00 112.58 1gqm n LEU 40 Ca -0.01 -3.32 0.02 0.00 -0.03 0.00 0.00 56.01 52.67 1gqm n LEU 40 Cb 0.40 -0.43 0.38 0.00 -2.33 0.00 0.00 43.42 41.44 1gqm n LEU 40 CO 0.37 1.03 0.99 0.00 -1.33 0.00 0.00 177.39 178.46 1gqm h ALA 41 N 0.60 1.53 -0.52 -1.18 0.00 -1.75 -0.07 119.26 117.86 1gqm h ALA 41 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1gqm h ALA 41 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1gqm h ALA 41 CO 0.01 0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.69 1gqm n ASN 42 N -4.34 5.33 -0.00 0.00 3.02 -1.26 -4.55 115.26 113.44 1gqm n ASN 42 Ca 0.01 -2.92 -0.02 0.00 -0.03 0.00 0.00 54.58 51.62 1gqm n ASN 42 Cb 0.19 -0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 38.71 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 0.44 0.27 -3.99 3.41 -1.04 -0.06 -5.03 114.28 108.28 1gqm n THR 43 Ca 0.26 0.03 -0.35 0.00 -2.04 0.00 0.00 64.05 61.95 1gqm n THR 43 Cb 1.12 -1.54 -0.09 0.00 -1.82 0.00 0.00 70.33 68.00 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 -2.04 4.90 -0.00 12.58 1.01 -1.08 -4.85 121.20 131.72 1gqm s ILE 44 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 60.65 60.27 1gqm s ILE 44 Cb 0.01 -3.19 -0.14 0.00 0.01 0.00 0.00 42.46 39.15 1gqm s ILE 44 CO 0.04 0.48 1.66 1.17 0.00 0.00 0.00 174.94 178.29 1gqm n LYS 45 N 3.28 1.84 -1.42 2.79 4.81 -1.26 -2.29 118.16 125.90 1gqm n LYS 45 Ca -0.17 0.67 -0.15 0.00 -0.87 0.00 0.00 58.31 57.79 1gqm n LYS 45 Cb 0.53 -2.43 -0.06 0.00 0.02 0.00 0.00 35.03 33.09 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 4.63 -5.26 0.03 3.14 4.13 -1.26 -4.73 115.26 115.94 1gqm n ASN 46 Ca 0.21 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.83 1gqm n ASN 46 Cb 0.25 -4.04 0.02 0.00 -1.54 0.00 0.00 39.78 34.47 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 -2.41 0.38 0.28 2.41 0.13 -0.97 0.15 119.36 119.32 1gqm n ILE 47 Ca -0.15 0.54 0.12 0.00 -1.10 0.00 0.00 62.75 62.16 1gqm n ILE 47 Cb 0.56 -1.54 0.12 0.00 -0.84 0.00 0.00 39.64 37.94 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 -6.46 9.51 1.57 -1.86 -3.43 116.57 115.89 1gqm h LYS 48 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1gqm h LYS 48 Cb 0.86 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 1gqm h LYS 48 CO 0.00 0.00 0.56 -0.51 -0.57 0.00 0.00 179.45 178.93 1gqm s ASP 49 N -5.34 7.10 0.38 0.86 1.01 0.38 -4.93 116.67 116.14 1gqm s ASP 49 Ca 0.04 1.96 0.10 0.00 0.71 0.00 0.00 52.55 55.36 1gqm s ASP 49 Cb 0.09 -2.58 0.86 0.00 1.01 0.00 0.00 42.92 42.31 1gqm s ASP 49 CO 0.72 -0.46 1.94 0.50 0.21 0.00 0.00 175.17 178.08 1gqm h LYS 50 N 6.87 0.60 -0.65 8.23 3.64 -1.89 -0.84 116.57 132.52 1gqm h LYS 50 Ca -0.41 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1gqm h LYS 50 Cb 1.21 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1gqm h LYS 50 CO 0.81 0.40 0.42 0.00 -2.27 0.00 0.00 179.45 178.81 1gqm h ALA 51 N 1.63 1.52 0.06 5.00 0.00 -1.95 -1.81 119.26 123.71 1gqm h ALA 51 Ca 0.34 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.97 1gqm h ALA 51 Cb 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1gqm h ALA 51 CO -0.12 0.44 -1.06 0.28 0.00 0.00 0.00 179.25 178.79 1gqm h VAL 52 N 0.89 1.54 -0.49 0.00 2.07 -1.47 -0.90 116.25 117.88 1gqm h VAL 52 Ca 0.24 -2.97 -0.09 0.00 0.82 0.00 0.00 66.70 64.70 1gqm h VAL 52 Cb -0.09 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1gqm h VAL 52 CO -0.05 0.86 -0.06 0.40 0.02 0.00 0.00 177.57 178.74 1gqm h ILE 53 N 0.08 1.27 -0.21 4.57 2.04 -1.15 -0.69 117.51 123.41 1gqm h ILE 53 Ca -0.08 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 1gqm h ILE 53 Cb 1.76 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1gqm h ILE 53 CO 0.16 0.41 0.08 0.44 0.00 0.00 0.00 178.15 179.25 1gqm h ASP 54 N 0.76 0.30 -0.60 1.72 3.32 -1.28 0.55 116.42 121.19 1gqm h ASP 54 Ca 0.13 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1gqm h ASP 54 Cb 0.60 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1gqm h ASP 54 CO 0.04 0.38 0.37 -0.08 -1.72 0.00 0.00 179.24 178.23 1gqm h GLU 55 N 0.19 0.83 -0.32 3.56 4.81 -0.80 0.12 114.58 122.97 1gqm h GLU 55 Ca 0.07 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1gqm h GLU 55 Cb 0.18 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1gqm h GLU 55 CO -0.01 0.58 -0.29 0.82 -0.73 0.00 0.00 179.01 179.39 1gqm h ILE 56 N 0.84 1.29 -0.18 2.32 2.04 -0.71 -1.75 117.51 121.37 1gqm h ILE 56 Ca 0.22 -1.45 0.04 0.00 1.00 0.00 0.00 64.86 64.67 1gqm h ILE 56 Cb -0.03 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1gqm h ILE 56 CO -0.04 0.47 -0.07 0.15 0.00 0.00 0.00 178.15 178.66 1gqm h PHE 57 N 0.53 -0.17 -0.37 1.37 3.57 0.93 -1.91 116.94 120.89 1gqm h PHE 57 Ca 0.06 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1gqm h PHE 57 Cb 0.86 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1gqm h PHE 57 CO 0.07 -0.12 0.25 1.96 -2.23 0.00 0.00 178.31 178.24 1gqm h GLN 58 N -0.04 0.31 0.07 1.11 1.08 -0.53 -1.29 115.11 115.81 1gqm h GLN 58 Ca 0.10 -0.02 -0.28 0.00 -1.45 0.00 0.00 58.65 57.00 1gqm h GLN 58 Cb 0.19 -0.07 0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1gqm h GLN 58 CO -0.22 0.20 -1.15 0.78 -0.95 0.00 0.00 178.83 177.50 1gqm h GLY 59 N 0.32 0.64 2.00 3.46 0.00 -0.86 -3.19 103.07 105.45 1gqm h GLY 59 Ca 0.16 -1.27 -0.08 0.00 0.00 0.00 0.00 47.33 46.14 1gqm h GLY 59 CO -0.03 1.12 -0.39 1.41 0.00 0.00 0.00 176.54 178.64 1gqm h LEU 60 N 0.28 0.00 -6.05 3.11 3.38 -0.89 -3.36 115.31 111.78 1gqm h LEU 60 Ca -0.15 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.09 1gqm h LEU 60 Cb 1.81 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.48 1gqm h LEU 60 CO 0.21 0.39 2.73 -0.67 0.09 0.00 0.00 178.44 181.20 1gqm n ASP 61 N -3.63 5.10 -0.33 -0.43 2.03 -0.53 -4.72 116.55 114.04 1gqm n ASP 61 Ca -0.01 -2.94 0.12 0.00 0.52 0.00 0.00 54.79 52.48 1gqm n ASP 61 Cb 0.50 -1.56 0.30 0.00 -0.72 0.00 0.00 41.12 39.64 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 5.70 1.55 -0.03 -1.67 0.00 -1.82 -0.66 119.26 122.33 1gqm h ALA 62 Ca 0.54 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1gqm h ALA 62 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1gqm h ALA 62 CO 1.75 -0.11 0.00 0.27 0.00 0.00 0.00 179.25 181.16 1gqm n ASN 63 N -4.83 1.77 -1.82 0.00 6.94 -1.26 -4.94 115.26 111.11 1gqm n ASN 63 Ca 0.22 -1.59 -0.16 0.00 -0.02 0.00 0.00 54.58 53.03 1gqm n ASN 63 Cb 0.56 -0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 37.97 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 0.38 -1.32 -0.27 -3.83 1.13 -0.26 -4.89 117.38 108.33 1gqm n GLN 64 Ca 0.18 0.77 0.10 0.00 -1.94 0.00 0.00 57.00 56.10 1gqm n GLN 64 Cb 0.40 -5.15 0.26 0.00 0.11 0.00 0.00 30.24 25.86 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 -1.03 3.05 -1.33 1.08 5.75 -1.26 -4.93 116.55 117.88 1gqm n ASP 65 Ca -0.19 -1.98 -0.16 0.00 -0.01 0.00 0.00 54.79 52.45 1gqm n ASP 65 Cb 0.64 -0.36 -0.06 0.00 -1.03 0.00 0.00 41.12 40.32 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 1.17 -1.13 -4.07 0.11 -0.58 -1.26 -4.98 120.64 109.90 1gqm n GLU 66 Ca 0.19 1.01 -0.13 0.00 -0.42 0.00 0.00 57.16 57.80 1gqm n GLU 66 Cb 0.49 -5.22 -0.12 0.00 -0.57 0.00 0.00 31.44 26.03 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 -3.61 0.53 -0.30 3.49 -1.52 -1.26 -4.44 119.66 112.53 1gqm s GLN 67 Ca 0.00 -0.72 -0.07 0.00 -1.95 0.00 0.00 55.36 52.62 1gqm s GLN 67 Cb 0.00 -0.31 0.01 0.00 -0.22 0.00 0.00 33.01 32.49 1gqm s GLN 67 CO 0.00 0.06 0.09 0.08 -0.25 0.00 0.00 175.29 175.27 1gqm s VAL 68 N -1.29 4.02 0.67 1.09 1.01 0.16 -4.79 120.40 121.27 1gqm s VAL 68 Ca -0.09 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1gqm s VAL 68 Cb -0.09 -3.10 0.09 0.00 0.00 0.00 0.00 36.38 33.27 1gqm s VAL 68 CO 0.00 0.03 0.93 1.51 0.00 0.00 0.00 175.10 177.58 1gqm s ASP 69 N 1.50 4.68 0.15 3.32 1.47 -1.26 -0.79 116.67 125.74 1gqm s ASP 69 Ca 0.02 -0.16 -0.20 0.00 1.18 0.00 0.00 52.55 53.39 1gqm s ASP 69 Cb -0.18 -0.40 0.04 0.00 -0.34 0.00 0.00 42.92 42.04 1gqm s ASP 69 CO 0.03 -1.61 1.65 0.15 0.68 0.00 0.00 175.17 176.07 1gqm h PHE 70 N -0.35 -0.41 -0.60 2.11 3.57 -1.99 0.33 116.94 119.59 1gqm h PHE 70 Ca -0.39 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.25 1gqm h PHE 70 Cb 1.28 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 40.17 1gqm h PHE 70 CO 0.03 -0.24 0.17 1.96 -2.23 0.00 0.00 178.31 178.00 1gqm h GLN 71 N -0.14 0.32 -0.11 1.11 1.08 -1.98 0.29 115.11 115.68 1gqm h GLN 71 Ca 0.15 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.24 1gqm h GLN 71 Cb 0.36 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1gqm h GLN 71 CO -0.36 0.21 -0.34 0.93 -0.95 0.00 0.00 178.83 178.32 1gqm h GLU 72 N 0.33 0.22 -0.69 1.46 5.08 -1.51 -2.62 114.58 116.84 1gqm h GLU 72 Ca 0.31 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1gqm h GLU 72 Cb 0.43 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1gqm h GLU 72 CO -0.36 0.54 0.32 0.35 -1.00 0.00 0.00 179.01 178.86 1gqm h PHE 73 N 0.19 0.99 -1.01 4.33 3.04 0.33 -2.68 116.94 122.14 1gqm h PHE 73 Ca 0.02 -0.05 0.24 0.00 3.98 0.00 0.00 57.97 62.16 1gqm h PHE 73 Cb 0.70 -0.31 -0.10 0.00 2.56 0.00 0.00 35.95 38.80 1gqm h PHE 73 CO 0.01 0.74 0.64 0.82 -2.02 0.00 0.00 178.31 178.49 1gqm h ILE 74 N 0.99 0.59 -0.72 1.41 2.04 -0.88 1.46 117.51 122.39 1gqm h ILE 74 Ca 0.24 -0.17 0.13 0.00 1.00 0.00 0.00 64.86 66.05 1gqm h ILE 74 Cb 0.13 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.20 1gqm h ILE 74 CO -0.03 0.09 0.48 0.28 0.00 0.00 0.00 178.15 178.97 1gqm h SER 75 N 0.50 0.43 0.44 1.72 0.02 -1.60 0.34 113.55 115.40 1gqm h SER 75 Ca 0.58 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.41 1gqm h SER 75 Cb 1.28 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1gqm h SER 75 CO -0.32 0.24 -0.59 0.25 -1.14 0.00 0.00 176.83 175.27 1gqm h LEU 76 N 0.46 0.16 -0.69 5.07 5.85 0.19 -1.57 115.31 124.78 1gqm h LEU 76 Ca 0.35 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.85 1gqm h LEU 76 Cb 0.71 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1gqm h LEU 76 CO -0.11 0.71 -0.31 0.58 -0.34 0.00 0.00 178.44 178.97 1gqm h VAL 77 N 0.11 1.28 -0.47 1.05 2.07 -0.16 -1.41 116.25 118.72 1gqm h VAL 77 Ca -0.00 -1.43 -0.11 0.00 0.82 0.00 0.00 66.70 65.97 1gqm h VAL 77 Cb 1.06 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1gqm h VAL 77 CO 0.09 0.47 -0.13 0.00 0.02 0.00 0.00 177.57 178.01 1gqm h ALA 78 N 1.08 0.65 -0.47 1.67 0.00 -0.93 -0.10 119.26 121.18 1gqm h ALA 78 Ca 0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1gqm h ALA 78 Cb 0.81 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1gqm h ALA 78 CO 0.07 0.57 0.17 0.82 0.00 0.00 0.00 179.25 180.88 1gqm h ILE 79 N 0.77 1.21 0.24 0.00 2.04 -0.93 -2.31 117.51 118.53 1gqm h ILE 79 Ca 0.12 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1gqm h ILE 79 Cb 0.69 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1gqm h ILE 79 CO 0.05 0.25 -0.11 0.00 0.00 0.00 0.00 178.15 178.34 1gqm h ALA 80 N 1.02 -0.32 -0.64 1.87 0.00 -0.94 -2.09 119.26 118.16 1gqm h ALA 80 Ca 0.15 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1gqm h ALA 80 Cb 0.22 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.02 1gqm h ALA 80 CO -0.01 -0.64 -0.07 -0.07 0.00 0.00 0.00 179.25 178.46 1gqm h LEU 81 N -0.40 -0.43 -0.64 0.00 3.38 -1.03 0.81 115.31 117.00 1gqm h LEU 81 Ca -0.03 0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1gqm h LEU 81 Cb 0.30 0.34 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 1gqm h LEU 81 CO 0.05 -0.17 0.24 0.50 0.09 0.00 0.00 178.44 179.15 1gqm h LYS 82 N 0.06 0.40 -0.06 1.13 1.63 -0.99 -0.84 116.57 117.90 1gqm h LYS 82 Ca 0.33 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.08 1gqm h LYS 82 Cb 0.53 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1gqm h LYS 82 CO -0.61 0.26 -0.04 0.00 -3.45 0.00 0.00 179.45 175.61 1gqm h ALA 83 N 1.45 0.08 -0.49 5.00 0.00 0.56 -2.64 119.26 123.22 1gqm h ALA 83 Ca 0.33 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1gqm h ALA 83 Cb 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1gqm h ALA 83 CO -0.33 -0.14 0.35 0.00 0.00 0.00 0.00 179.25 179.13 1gqm h ALA 84 N 0.58 2.46 0.01 0.00 0.00 0.14 0.62 119.26 123.07 1gqm h ALA 84 Ca 0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1gqm h ALA 84 Cb 0.52 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1gqm h ALA 84 CO 0.01 -0.60 -0.92 1.25 0.00 0.00 0.00 179.25 178.99 1gqm h HIS 85 N 0.00 0.13 -0.11 0.00 6.17 -0.96 -3.16 115.15 117.22 1gqm h HIS 85 Ca 0.23 -0.08 -0.09 0.00 0.71 0.00 0.00 60.37 61.14 1gqm h HIS 85 Cb 0.93 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.84 1gqm h HIS 85 CO -0.00 0.95 -0.36 -0.92 0.71 0.00 0.00 177.93 178.31 1gqm h TYR 86 N 0.04 0.25 0.00 5.26 5.03 -0.54 -3.52 116.97 123.49 1gqm h TYR 86 Ca -0.03 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.22 1gqm h TYR 86 Cb 1.59 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.81 1gqm h TYR 86 CO 0.01 0.56 0.00 0.72 -1.32 0.00 0.00 178.16 178.13