#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 -0.21 -0.78 -0.78 1.79 -2.06 -1.65 116.57 112.89 1gqm h LYS 2 Ca 0.00 0.01 0.15 0.00 -2.18 0.00 0.00 60.65 58.64 1gqm h LYS 2 Cb 0.00 0.05 -0.15 0.00 -1.58 0.00 0.00 32.23 30.55 1gqm h LYS 2 CO 0.00 -0.14 -0.21 1.25 -1.08 0.00 0.00 179.45 179.28 1gqm h LEU 3 N -0.21 -0.76 -1.25 2.94 6.46 -2.05 0.75 115.31 121.18 1gqm h LEU 3 Ca -0.01 0.24 0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1gqm h LEU 3 Cb 0.18 0.49 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 1gqm h LEU 3 CO -0.01 -0.26 0.51 -0.33 -0.62 0.00 0.00 178.44 177.72 1gqm h GLU 4 N -0.01 1.00 -0.38 1.25 5.08 -1.97 0.32 114.58 119.87 1gqm h GLU 4 Ca 0.37 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1gqm h GLU 4 Cb 0.57 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1gqm h GLU 4 CO -0.80 0.66 0.25 0.93 -1.00 0.00 0.00 179.01 179.05 1gqm h GLU 5 N 1.03 0.49 -0.13 2.33 5.08 0.15 0.34 114.58 123.86 1gqm h GLU 5 Ca 0.28 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.48 1gqm h GLU 5 Cb -0.12 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1gqm h GLU 5 CO -0.06 0.32 -0.47 0.45 -1.00 0.00 0.00 179.01 178.25 1gqm h HIS 6 N 0.50 0.41 -0.53 4.33 3.86 -0.11 0.19 115.15 123.81 1gqm h HIS 6 Ca 0.14 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1gqm h HIS 6 Cb -0.05 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1gqm h HIS 6 CO -0.05 0.75 0.17 -0.07 0.86 0.00 0.00 177.93 179.59 1gqm h LEU 7 N 0.27 0.76 -1.27 2.43 3.38 0.26 -1.65 115.31 119.50 1gqm h LEU 7 Ca 0.02 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1gqm h LEU 7 Cb 0.94 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1gqm h LEU 7 CO 0.08 0.76 -0.34 -0.08 0.09 0.00 0.00 178.44 178.95 1gqm h GLU 8 N 0.72 0.03 -0.17 1.13 4.81 0.15 -2.31 114.58 118.94 1gqm h GLU 8 Ca 0.17 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1gqm h GLU 8 Cb 0.27 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1gqm h GLU 8 CO -0.01 0.38 -0.09 0.78 -0.73 0.00 0.00 179.01 179.34 1gqm h GLY 9 N 1.05 0.06 0.50 1.92 0.00 0.11 0.16 103.07 106.87 1gqm h GLY 9 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.51 1gqm h GLY 9 CO 0.05 -0.10 0.18 -2.22 0.00 0.00 0.00 176.54 174.44 1gqm h ILE 10 N -0.07 0.81 -0.65 2.60 2.04 -0.89 0.81 117.51 122.17 1gqm h ILE 10 Ca 0.09 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1gqm h ILE 10 Cb 0.21 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1gqm h ILE 10 CO -0.21 0.06 0.40 0.58 0.00 0.00 0.00 178.15 178.98 1gqm h VAL 11 N 0.35 1.19 -0.88 1.67 2.07 -0.89 -1.80 116.25 117.96 1gqm h VAL 11 Ca 0.25 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1gqm h VAL 11 Cb 0.27 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1gqm h VAL 11 CO -0.26 0.19 0.58 0.78 0.02 0.00 0.00 177.57 178.89 1gqm h ASN 12 N 0.88 1.01 -0.52 0.57 2.35 0.25 -2.49 115.58 117.63 1gqm h ASN 12 Ca 0.23 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.85 1gqm h ASN 12 Cb -0.04 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1gqm h ASN 12 CO -0.04 0.73 -0.11 0.40 -1.65 0.00 0.00 177.43 176.76 1gqm h ILE 13 N 1.19 1.27 -0.17 2.81 5.03 -0.29 0.12 117.51 127.47 1gqm h ILE 13 Ca 0.32 -1.25 0.03 0.00 -0.12 0.00 0.00 64.86 63.84 1gqm h ILE 13 Cb -0.13 0.96 -0.03 0.00 -3.03 0.00 0.00 36.82 34.59 1gqm h ILE 13 CO -0.07 0.44 -0.02 0.15 -0.68 0.00 0.00 178.15 177.97 1gqm h PHE 14 N 0.89 -0.04 0.00 1.37 3.57 -1.10 -2.19 116.94 119.44 1gqm h PHE 14 Ca 0.14 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1gqm h PHE 14 Cb 0.66 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1gqm h PHE 14 CO 0.04 -0.04 -0.44 0.45 -2.23 0.00 0.00 178.31 176.09 1gqm h HIS 15 N 0.03 0.00 -0.30 0.41 3.86 -0.96 0.21 115.15 118.40 1gqm h HIS 15 Ca 0.08 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.38 1gqm h HIS 15 Cb 0.11 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1gqm h HIS 15 CO -0.17 0.44 0.22 0.37 0.86 0.00 0.00 177.93 179.65 1gqm h GLN 16 N 0.00 0.00 0.03 2.45 4.15 -0.18 -2.20 115.11 119.36 1gqm h GLN 16 Ca -0.00 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.06 1gqm h GLN 16 Cb 0.81 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.45 1gqm h GLN 16 CO 0.06 0.00 -2.17 0.66 -1.93 0.00 0.00 178.83 175.45 1gqm n TYR 17 N -4.40 0.52 0.26 3.99 4.01 0.04 -4.47 117.16 117.11 1gqm n TYR 17 Ca 0.04 0.14 0.14 0.00 -0.16 0.00 0.00 57.90 58.07 1gqm n TYR 17 Cb 0.39 -1.08 0.63 0.00 -0.31 0.00 0.00 39.34 38.96 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 0.02 0.00 0.57 7.72 4.64 -0.11 -3.01 113.55 123.38 1gqm h SER 18 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1gqm h SER 18 Cb 2.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 1gqm h SER 18 CO 0.02 0.10 -0.27 1.33 -0.87 0.00 0.00 176.83 177.14 1gqm n VAL 19 N -3.26 0.00 0.05 0.95 0.24 -0.94 -4.20 118.33 111.16 1gqm n VAL 19 Ca 0.00 -0.03 -0.02 0.00 -2.04 0.00 0.00 64.34 62.25 1gqm n VAL 19 Cb 0.34 0.00 0.23 0.00 -1.47 0.00 0.00 33.84 32.94 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 0.24 0.39 -3.18 7.34 3.08 -1.78 -3.46 114.38 117.02 1gqm h ARG 20 Ca 0.00 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 59.78 1gqm h ARG 20 Cb 0.47 -0.02 -0.20 0.00 0.08 0.00 0.00 29.97 30.29 1gqm h ARG 20 CO 0.00 0.63 -0.34 0.15 -1.07 0.00 0.00 179.97 179.34 1gqm s LYS 21 N -4.46 0.60 5.42 0.04 -0.14 -1.26 -5.12 119.74 114.83 1gqm s LYS 21 Ca -0.06 -0.24 0.00 0.00 -1.36 0.00 0.00 55.97 54.31 1gqm s LYS 21 Cb 0.14 0.26 0.00 0.00 -1.68 0.00 0.00 37.83 36.55 1gqm s LYS 21 CO 0.78 -0.16 0.00 0.41 -0.76 0.00 0.00 175.35 175.62 1gqm n GLY 22 N 1.37 2.43 3.69 -3.33 0.00 -1.26 -4.67 105.19 103.41 1gqm n GLY 22 Ca -0.22 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.92 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 10.33 2.36 0.25 1.61 8.25 -1.26 -4.86 115.22 131.90 1gqm n HIS 23 Ca 0.00 0.35 0.13 0.00 -0.26 0.00 0.00 57.72 57.94 1gqm n HIS 23 Cb 0.00 -2.51 0.65 0.00 1.12 0.00 0.00 29.99 29.25 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 4.71 0.00 -0.55 4.41 0.04 -1.83 -3.22 116.94 120.50 1gqm h PHE 24 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1gqm h PHE 24 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1gqm h PHE 24 CO 0.58 0.14 0.00 -0.40 -0.60 0.00 0.00 178.31 178.03 1gqm n ASP 25 N -3.42 3.54 -4.12 2.17 5.75 -1.26 -2.98 116.55 116.22 1gqm n ASP 25 Ca -0.01 -2.05 -0.09 0.00 -0.01 0.00 0.00 54.79 52.64 1gqm n ASP 25 Cb 0.31 -0.38 -0.10 0.00 -1.03 0.00 0.00 41.12 39.92 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 -1.09 0.43 -0.20 2.12 -4.23 -1.22 -4.44 115.64 107.01 1gqm s THR 26 Ca 0.37 -1.81 -0.10 0.00 -1.18 0.00 0.00 61.69 58.97 1gqm s THR 26 Cb 0.20 -1.52 -0.05 0.00 1.34 0.00 0.00 72.50 72.47 1gqm s THR 26 CO 0.24 -0.91 0.12 -0.76 -0.54 0.00 0.00 174.62 172.78 1gqm s LEU 27 N -2.89 4.13 0.72 4.79 1.43 -0.54 -4.65 118.68 121.68 1gqm s LEU 27 Ca 0.08 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 1gqm s LEU 27 Cb 0.06 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.23 1gqm s LEU 27 CO -0.07 0.16 1.11 -0.94 0.23 0.00 0.00 176.35 176.83 1gqm s SER 28 N 0.49 5.25 0.24 2.29 1.04 -1.26 -1.33 113.70 120.43 1gqm s SER 28 Ca 0.07 1.04 -0.05 0.00 0.48 0.00 0.00 55.95 57.49 1gqm s SER 28 Cb -0.12 -1.78 0.45 0.00 0.10 0.00 0.00 66.02 64.68 1gqm s SER 28 CO -0.01 -1.45 1.69 0.50 0.98 0.00 0.00 173.24 174.95 1gqm h LYS 29 N -0.72 0.26 0.26 4.02 3.64 -1.99 0.72 116.57 122.76 1gqm h LYS 29 Ca -0.45 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1gqm h LYS 29 Cb 1.27 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1gqm h LYS 29 CO 0.64 0.17 -0.13 0.78 -2.27 0.00 0.00 179.45 178.64 1gqm h GLY 30 N 0.27 -0.37 0.84 5.01 0.00 -1.97 0.29 103.07 107.14 1gqm h GLY 30 Ca 0.41 0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.92 1gqm h GLY 30 CO -0.51 -0.14 0.61 0.83 0.00 0.00 0.00 176.54 177.34 1gqm h GLU 31 N -0.40 1.14 -0.41 4.80 5.08 -1.07 -0.94 114.58 122.77 1gqm h GLU 31 Ca -0.04 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 1gqm h GLU 31 Cb 0.31 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1gqm h GLU 31 CO 0.06 0.75 -0.04 1.25 -1.00 0.00 0.00 179.01 180.03 1gqm h LEU 32 N 1.17 0.66 -0.93 1.33 5.85 0.90 -1.63 115.31 122.67 1gqm h LEU 32 Ca 0.38 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 1gqm h LEU 32 Cb 0.04 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1gqm h LEU 32 CO -0.13 0.76 0.07 0.50 -0.34 0.00 0.00 178.44 179.30 1gqm h LYS 33 N 0.64 0.85 -0.05 1.25 3.64 0.89 0.17 116.57 123.97 1gqm h LYS 33 Ca 0.12 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1gqm h LYS 33 Cb 0.46 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1gqm h LYS 33 CO 0.02 0.81 0.00 1.96 -2.27 0.00 0.00 179.45 179.98 1gqm h GLN 34 N 0.81 0.08 -0.12 1.90 4.20 -0.65 -1.75 115.11 119.58 1gqm h GLN 34 Ca 0.17 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.87 1gqm h GLN 34 Cb 0.39 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1gqm h GLN 34 CO 0.01 0.34 0.01 1.25 -0.67 0.00 0.00 178.83 179.77 1gqm h LEU 35 N -0.19 -0.02 0.25 1.46 6.46 -0.80 -1.42 115.31 121.06 1gqm h LEU 35 Ca 0.01 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1gqm h LEU 35 Cb 0.30 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 1gqm h LEU 35 CO 0.00 0.01 -0.36 -0.07 -0.62 0.00 0.00 178.44 177.40 1gqm h LEU 36 N 0.06 -1.00 -1.54 2.25 3.38 -0.54 0.29 115.31 118.21 1gqm h LEU 36 Ca 0.06 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1gqm h LEU 36 Cb 0.06 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1gqm h LEU 36 CO -0.09 -0.47 -0.01 0.74 0.09 0.00 0.00 178.44 178.71 1gqm h THR 37 N -0.67 1.13 0.00 0.22 2.02 -1.17 -1.07 112.91 113.37 1gqm h THR 37 Ca -0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1gqm h THR 37 Cb 0.65 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1gqm h THR 37 CO -0.13 0.17 -1.67 1.17 0.37 0.00 0.00 175.52 175.43 1gqm n LYS 38 N -4.37 0.63 -0.09 6.66 4.81 -0.55 -4.13 118.16 121.13 1gqm n LYS 38 Ca -0.00 -0.14 -0.10 0.00 -0.87 0.00 0.00 58.31 57.20 1gqm n LYS 38 Cb 0.19 -1.39 -0.13 0.00 0.02 0.00 0.00 35.03 33.71 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 -2.01 1.02 -0.53 1.64 -0.58 1.00 -4.54 120.64 116.63 1gqm n GLU 39 Ca -0.02 0.02 0.04 0.00 -0.42 0.00 0.00 57.16 56.77 1gqm n GLU 39 Cb 0.43 -1.45 0.23 0.00 -0.57 0.00 0.00 31.44 30.07 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 -2.74 3.83 -0.35 -4.62 4.32 -0.41 -4.80 117.00 112.22 1gqm n LEU 40 Ca -0.31 -3.28 0.10 0.00 -0.02 0.00 0.00 56.01 52.50 1gqm n LEU 40 Cb 1.05 -0.57 0.28 0.00 -1.62 0.00 0.00 43.42 42.56 1gqm n LEU 40 CO 0.35 0.87 1.20 0.00 -1.22 0.00 0.00 177.39 178.59 1gqm h ALA 41 N 1.34 1.56 -0.68 -1.18 0.00 -1.70 -1.82 119.26 116.78 1gqm h ALA 41 Ca 0.08 0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.69 1gqm h ALA 41 Cb 1.48 -0.12 -0.21 0.00 0.00 0.00 0.00 17.79 18.94 1gqm h ALA 41 CO 0.26 0.05 0.28 0.09 0.00 0.00 0.00 179.25 179.93 1gqm n ASN 42 N -4.73 3.20 0.00 0.00 3.02 -1.26 -4.59 115.26 110.90 1gqm n ASN 42 Ca 0.21 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 51.05 1gqm n ASN 42 Cb 0.47 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.13 0.00 -4.12 3.41 -1.04 -0.69 -5.04 114.28 105.67 1gqm n THR 43 Ca 0.47 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 62.14 1gqm n THR 43 Cb 1.33 -1.04 -0.10 0.00 -1.82 0.00 0.00 70.33 68.70 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 -1.94 4.52 0.39 12.58 1.01 -1.19 -4.88 121.20 131.68 1gqm s ILE 44 Ca 0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 60.65 60.25 1gqm s ILE 44 Cb 0.00 -3.02 -0.11 0.00 0.01 0.00 0.00 42.46 39.34 1gqm s ILE 44 CO 0.00 0.47 1.44 1.17 0.00 0.00 0.00 174.94 178.02 1gqm n LYS 45 N 3.53 2.50 -0.85 2.79 4.81 -1.26 -2.30 118.16 127.38 1gqm n LYS 45 Ca -0.17 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1gqm n LYS 45 Cb 0.52 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.97 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 0.39 -3.24 0.18 3.14 5.03 -1.26 -4.72 115.26 114.78 1gqm n ASN 46 Ca 0.03 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.51 1gqm n ASN 46 Cb 0.39 -2.45 0.17 0.00 -1.02 0.00 0.00 39.78 36.87 1gqm n ASN 46 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1gqm h ILE 47 N 0.00 0.00 -0.52 2.41 6.09 -1.80 0.25 117.51 123.94 1gqm h ILE 47 Ca 0.00 0.00 -0.12 0.00 -1.37 0.00 0.00 64.86 63.37 1gqm h ILE 47 Cb 0.47 0.14 -0.02 0.00 0.47 0.00 0.00 36.82 37.88 1gqm h ILE 47 CO 0.00 0.00 -0.16 0.11 -3.07 0.00 0.00 178.15 175.03 1gqm h LYS 48 N 0.00 1.02 -6.79 2.19 1.57 -1.86 -3.43 116.57 109.27 1gqm h LYS 48 Ca 0.00 -0.41 -0.53 0.00 -1.87 0.00 0.00 60.65 57.85 1gqm h LYS 48 Cb 1.17 -0.05 0.07 0.00 0.08 0.00 0.00 32.23 33.50 1gqm h LYS 48 CO 0.00 1.09 0.79 -0.51 -0.57 0.00 0.00 179.45 180.26 1gqm s ASP 49 N -6.69 6.54 0.17 0.86 1.01 0.86 -4.95 116.67 114.47 1gqm s ASP 49 Ca -0.11 2.80 -0.15 0.00 0.71 0.00 0.00 52.55 55.80 1gqm s ASP 49 Cb 0.13 -2.63 0.12 0.00 1.01 0.00 0.00 42.92 41.54 1gqm s ASP 49 CO 0.87 -0.78 1.74 0.50 0.21 0.00 0.00 175.17 177.71 1gqm h LYS 50 N 4.67 0.27 -0.99 8.23 3.64 -1.88 -2.13 116.57 128.38 1gqm h LYS 50 Ca -0.47 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.00 1gqm h LYS 50 Cb 1.22 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 1gqm h LYS 50 CO 0.76 0.18 0.63 0.00 -2.27 0.00 0.00 179.45 178.75 1gqm h ALA 51 N 1.30 1.52 -0.39 5.00 0.00 -1.95 -1.14 119.26 123.59 1gqm h ALA 51 Ca 0.20 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1gqm h ALA 51 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1gqm h ALA 51 CO -0.23 0.26 -0.12 0.28 0.00 0.00 0.00 179.25 179.44 1gqm h VAL 52 N 1.01 1.28 0.27 0.00 2.07 -1.70 -1.13 116.25 118.05 1gqm h VAL 52 Ca 0.47 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1gqm h VAL 52 Cb 0.42 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1gqm h VAL 52 CO -0.23 0.41 -0.13 0.40 0.02 0.00 0.00 177.57 178.03 1gqm h ILE 53 N 0.58 0.72 -0.92 4.57 2.04 -0.94 0.26 117.51 123.82 1gqm h ILE 53 Ca 0.10 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.98 1gqm h ILE 53 Cb 0.65 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1gqm h ILE 53 CO 0.04 0.00 0.60 0.44 0.00 0.00 0.00 178.15 179.23 1gqm h ASP 54 N -0.37 1.01 -0.40 1.72 3.32 -1.21 0.14 116.42 120.63 1gqm h ASP 54 Ca -0.03 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1gqm h ASP 54 Cb 0.29 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1gqm h ASP 54 CO 0.05 0.70 0.16 -0.08 -1.72 0.00 0.00 179.24 178.36 1gqm h GLU 55 N 1.18 0.33 -0.70 3.56 4.81 -0.58 0.33 114.58 123.52 1gqm h GLU 55 Ca 0.36 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1gqm h GLU 55 Cb -0.04 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1gqm h GLU 55 CO -0.11 0.22 0.28 0.82 -0.73 0.00 0.00 179.01 179.50 1gqm h ILE 56 N 0.34 1.24 -0.57 2.32 2.04 -0.05 -2.42 117.51 120.42 1gqm h ILE 56 Ca 0.18 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1gqm h ILE 56 Cb 0.14 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1gqm h ILE 56 CO -0.16 0.30 0.27 0.15 0.00 0.00 0.00 178.15 178.72 1gqm h PHE 57 N 0.99 0.81 -0.42 1.37 3.57 0.11 -2.37 116.94 121.01 1gqm h PHE 57 Ca 0.23 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1gqm h PHE 57 Cb 0.20 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1gqm h PHE 57 CO 0.01 0.62 0.08 1.96 -2.23 0.00 0.00 178.31 178.75 1gqm h GLN 58 N 0.77 0.63 -0.13 1.11 1.08 -0.02 -2.36 115.11 116.18 1gqm h GLN 58 Ca 0.19 -0.12 -0.21 0.00 -1.45 0.00 0.00 58.65 57.07 1gqm h GLN 58 Cb 0.11 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1gqm h GLN 58 CO -0.03 0.59 -0.75 0.78 -0.95 0.00 0.00 178.83 178.48 1gqm h GLY 59 N 0.85 0.72 2.00 3.46 0.00 -1.26 -3.24 103.07 105.60 1gqm h GLY 59 Ca 0.14 -1.01 -0.10 0.00 0.00 0.00 0.00 47.33 46.35 1gqm h GLY 59 CO 0.00 0.90 -0.50 1.41 0.00 0.00 0.00 176.54 178.35 1gqm h LEU 60 N 0.45 0.00 -6.01 3.11 3.38 -1.07 -3.35 115.31 111.82 1gqm h LEU 60 Ca -0.04 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.19 1gqm h LEU 60 Cb 1.36 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.00 1gqm h LEU 60 CO 0.15 0.50 2.50 -0.67 0.09 0.00 0.00 178.44 181.01 1gqm n ASP 61 N -3.39 6.05 -0.34 -0.43 2.03 -0.92 -4.76 116.55 114.78 1gqm n ASP 61 Ca 0.01 -3.02 0.12 0.00 0.52 0.00 0.00 54.79 52.42 1gqm n ASP 61 Cb 0.65 -1.49 0.32 0.00 -0.72 0.00 0.00 41.12 39.88 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 5.41 1.68 -0.04 -1.67 0.00 -1.81 -1.89 119.26 120.94 1gqm h ALA 62 Ca 0.55 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1gqm h ALA 62 Cb 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gqm h ALA 62 CO 1.65 -0.01 0.00 0.27 0.00 0.00 0.00 179.25 181.16 1gqm n ASN 63 N -4.69 1.46 -1.52 0.00 6.94 -1.26 -4.94 115.26 111.24 1gqm n ASN 63 Ca 0.22 -1.52 -0.14 0.00 -0.02 0.00 0.00 54.58 53.12 1gqm n ASN 63 Cb 0.52 -0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 37.91 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 0.15 -1.09 -0.28 -3.83 1.13 -0.71 -4.87 117.38 107.87 1gqm n GLN 64 Ca 0.19 0.70 0.07 0.00 -1.94 0.00 0.00 57.00 56.02 1gqm n GLN 64 Cb 0.34 -4.95 0.22 0.00 0.11 0.00 0.00 30.24 25.95 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 -0.60 2.74 -1.50 1.08 5.75 -1.26 -4.90 116.55 117.85 1gqm n ASP 65 Ca -0.16 -2.08 -0.17 0.00 -0.01 0.00 0.00 54.79 52.37 1gqm n ASP 65 Cb 0.61 -0.36 -0.06 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.83 -1.25 -3.98 0.11 -0.58 -1.26 -4.96 120.64 109.55 1gqm n GLU 66 Ca 0.16 1.04 -0.11 0.00 -0.42 0.00 0.00 57.16 57.83 1gqm n GLU 66 Cb 0.46 -5.33 -0.12 0.00 -0.57 0.00 0.00 31.44 25.88 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 -3.85 0.28 -0.30 3.49 -1.52 -1.26 -4.43 119.66 112.06 1gqm s GLN 67 Ca 0.00 -0.46 -0.05 0.00 -1.95 0.00 0.00 55.36 52.90 1gqm s GLN 67 Cb 0.00 -0.01 0.03 0.00 -0.22 0.00 0.00 33.01 32.81 1gqm s GLN 67 CO 0.00 -0.01 0.05 0.08 -0.25 0.00 0.00 175.29 175.16 1gqm s VAL 68 N -1.03 3.56 0.63 1.09 1.01 -0.44 -4.75 120.40 120.47 1gqm s VAL 68 Ca -0.10 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1gqm s VAL 68 Cb -0.07 -2.93 0.08 0.00 0.00 0.00 0.00 36.38 33.46 1gqm s VAL 68 CO -0.01 -0.02 0.87 1.51 0.00 0.00 0.00 175.10 177.45 1gqm s ASP 69 N 1.40 4.84 0.23 3.32 1.47 -1.26 -1.47 116.67 125.20 1gqm s ASP 69 Ca -0.01 -0.31 -0.07 0.00 1.18 0.00 0.00 52.55 53.34 1gqm s ASP 69 Cb -0.18 -0.30 0.29 0.00 -0.34 0.00 0.00 42.92 42.38 1gqm s ASP 69 CO 0.01 -1.48 1.84 0.15 0.68 0.00 0.00 175.17 176.37 1gqm h PHE 70 N -0.16 0.90 -0.80 2.11 3.57 -1.99 0.27 116.94 120.85 1gqm h PHE 70 Ca -0.38 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.11 1gqm h PHE 70 Cb 1.28 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1gqm h PHE 70 CO 0.12 0.47 0.34 0.37 -2.23 0.00 0.00 178.31 177.38 1gqm h GLN 71 N 0.90 1.18 -0.41 1.11 5.75 -1.97 0.21 115.11 121.89 1gqm h GLN 71 Ca 0.34 -0.20 -0.10 0.00 -0.15 0.00 0.00 58.65 58.54 1gqm h GLN 71 Cb 0.14 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 1gqm h GLN 71 CO -0.16 0.94 -0.17 0.93 -2.65 0.00 0.00 178.83 177.73 1gqm h GLU 72 N 1.16 0.76 -0.17 1.69 5.08 -1.37 -2.74 114.58 118.98 1gqm h GLU 72 Ca 0.27 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1gqm h GLU 72 Cb 0.18 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1gqm h GLU 72 CO -0.03 0.88 0.12 0.35 -1.00 0.00 0.00 179.01 179.33 1gqm h PHE 73 N 0.68 0.16 -0.99 4.33 3.04 0.15 -2.60 116.94 121.71 1gqm h PHE 73 Ca 0.11 0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.23 1gqm h PHE 73 Cb 0.66 -0.05 -0.10 0.00 2.56 0.00 0.00 35.95 39.01 1gqm h PHE 73 CO 0.03 0.10 0.60 0.82 -2.02 0.00 0.00 178.31 177.84 1gqm h ILE 74 N 0.17 0.76 -0.36 1.41 2.04 -1.02 0.22 117.51 120.73 1gqm h ILE 74 Ca 0.07 -0.28 0.09 0.00 1.00 0.00 0.00 64.86 65.75 1gqm h ILE 74 Cb 0.08 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 1gqm h ILE 74 CO -0.01 0.15 0.25 0.28 0.00 0.00 0.00 178.15 178.82 1gqm h SER 75 N 0.80 0.05 1.03 1.72 0.02 -1.62 0.17 113.55 115.72 1gqm h SER 75 Ca 0.55 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.30 1gqm h SER 75 Cb 0.78 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 1gqm h SER 75 CO -0.36 0.03 -0.98 0.25 -1.14 0.00 0.00 176.83 174.64 1gqm h LEU 76 N 0.06 0.00 -0.84 5.07 5.85 -0.73 -2.33 115.31 122.39 1gqm h LEU 76 Ca 0.17 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 1gqm h LEU 76 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1gqm h LEU 76 CO -0.01 0.96 -0.27 0.58 -0.34 0.00 0.00 178.44 179.36 1gqm h VAL 77 N 0.00 1.27 -0.36 1.05 2.07 -0.38 -0.13 116.25 119.78 1gqm h VAL 77 Ca -0.02 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 1gqm h VAL 77 Cb 1.74 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1gqm h VAL 77 CO 0.12 0.43 0.01 0.00 0.02 0.00 0.00 177.57 178.15 1gqm h ALA 78 N 1.22 0.48 -0.40 1.67 0.00 -0.87 0.15 119.26 121.51 1gqm h ALA 78 Ca 0.07 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1gqm h ALA 78 Cb 0.72 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1gqm h ALA 78 CO 0.06 0.24 0.24 0.82 0.00 0.00 0.00 179.25 180.60 1gqm h ILE 79 N 0.44 1.05 -0.55 0.00 2.04 -0.95 -1.94 117.51 117.61 1gqm h ILE 79 Ca 0.10 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1gqm h ILE 79 Cb 0.44 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1gqm h ILE 79 CO 0.02 0.09 0.32 0.00 0.00 0.00 0.00 178.15 178.58 1gqm h ALA 80 N 1.17 0.70 -0.34 1.87 0.00 -0.50 -0.83 119.26 121.34 1gqm h ALA 80 Ca 0.16 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1gqm h ALA 80 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1gqm h ALA 80 CO -0.07 0.19 0.22 -0.07 0.00 0.00 0.00 179.25 179.52 1gqm h LEU 81 N 0.73 0.34 0.32 0.00 3.38 -0.41 -0.03 115.31 119.64 1gqm h LEU 81 Ca 0.20 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1gqm h LEU 81 Cb -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1gqm h LEU 81 CO -0.04 0.24 -0.15 0.50 0.09 0.00 0.00 178.44 179.08 1gqm h LYS 82 N 0.39 -0.42 -0.87 1.13 3.64 -0.39 -1.30 116.57 118.76 1gqm h LYS 82 Ca 0.13 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1gqm h LYS 82 Cb 0.04 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 1gqm h LYS 82 CO -0.03 -0.16 0.57 0.00 -2.27 0.00 0.00 179.45 177.56 1gqm h ALA 83 N -0.01 1.46 -0.61 5.00 0.00 -0.71 -2.33 119.26 122.06 1gqm h ALA 83 Ca -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1gqm h ALA 83 Cb 0.45 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1gqm h ALA 83 CO 0.07 0.45 0.38 0.00 0.00 0.00 0.00 179.25 180.15 1gqm h ALA 84 N 1.49 0.78 -0.22 0.00 0.00 -0.43 -0.79 119.26 120.09 1gqm h ALA 84 Ca 0.35 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 1gqm h ALA 84 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1gqm h ALA 84 CO -0.10 0.24 -0.33 1.25 0.00 0.00 0.00 179.25 180.31 1gqm h HIS 85 N 0.83 0.54 -0.64 0.00 6.17 -0.74 -2.21 115.15 119.09 1gqm h HIS 85 Ca 0.22 -0.14 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 1gqm h HIS 85 Cb -0.04 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 29.73 1gqm h HIS 85 CO -0.02 0.75 0.36 -0.92 0.71 0.00 0.00 177.93 178.81 1gqm h TYR 86 N 0.40 0.87 0.00 5.26 3.20 -0.90 -3.52 116.97 122.28 1gqm h TYR 86 Ca 0.05 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1gqm h TYR 86 Cb 0.78 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1gqm h TYR 86 CO 0.03 0.61 0.00 0.72 -1.64 0.00 0.00 178.16 177.88