#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 -0.25 -0.79 -0.78 1.63 -2.06 -2.27 116.57 112.05 1gqm h LYS 2 Ca 0.00 0.02 0.17 0.00 -0.85 0.00 0.00 60.65 59.99 1gqm h LYS 2 Cb 0.00 0.06 -0.11 0.00 -0.60 0.00 0.00 32.23 31.58 1gqm h LYS 2 CO 0.00 0.14 0.29 1.25 -3.45 0.00 0.00 179.45 177.68 1gqm h LEU 3 N -0.76 0.20 -0.75 5.20 6.46 -2.05 0.71 115.31 124.31 1gqm h LEU 3 Ca -0.03 0.14 -0.07 0.00 -0.12 0.00 0.00 57.88 57.80 1gqm h LEU 3 Cb 0.51 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.55 1gqm h LEU 3 CO 0.04 0.02 0.17 -0.33 -0.62 0.00 0.00 178.44 177.73 1gqm h GLU 4 N 0.37 1.11 0.01 1.25 5.08 -1.99 -1.34 114.58 119.07 1gqm h GLU 4 Ca 0.46 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1gqm h GLU 4 Cb 0.78 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1gqm h GLU 4 CO -0.48 0.98 -0.30 0.93 -1.00 0.00 0.00 179.01 179.14 1gqm h GLU 5 N 1.06 -0.44 -0.45 2.33 5.08 0.98 0.11 114.58 123.24 1gqm h GLU 5 Ca 0.22 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.64 1gqm h GLU 5 Cb 0.37 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1gqm h GLU 5 CO 0.00 -0.30 0.24 0.45 -1.00 0.00 0.00 179.01 178.41 1gqm h HIS 6 N -0.46 0.44 -0.74 4.33 3.86 -0.51 0.21 115.15 122.29 1gqm h HIS 6 Ca 0.06 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1gqm h HIS 6 Cb 0.54 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 1gqm h HIS 6 CO -0.32 0.24 0.48 -0.07 0.86 0.00 0.00 177.93 179.11 1gqm h LEU 7 N 0.48 0.82 -1.15 2.43 3.38 -1.01 0.43 115.31 120.68 1gqm h LEU 7 Ca 0.19 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1gqm h LEU 7 Cb 0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1gqm h LEU 7 CO -0.12 0.58 0.07 -0.08 0.09 0.00 0.00 178.44 178.98 1gqm h GLU 8 N 0.97 0.66 0.19 1.13 4.81 0.63 -1.34 114.58 121.62 1gqm h GLU 8 Ca 0.28 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1gqm h GLU 8 Cb -0.07 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1gqm h GLU 8 CO -0.08 0.63 -0.32 0.78 -0.73 0.00 0.00 179.01 179.29 1gqm h GLY 9 N 0.88 -0.65 0.29 1.92 0.00 0.65 -0.06 103.07 106.11 1gqm h GLY 9 Ca 0.14 0.37 0.08 0.00 0.00 0.00 0.00 47.33 47.93 1gqm h GLY 9 CO 0.00 -0.26 0.03 -2.22 0.00 0.00 0.00 176.54 174.09 1gqm h ILE 10 N -0.58 0.67 -0.15 2.60 2.04 -0.31 0.21 117.51 121.98 1gqm h ILE 10 Ca 0.01 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1gqm h ILE 10 Cb 0.58 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1gqm h ILE 10 CO -0.15 0.03 -0.07 0.58 0.00 0.00 0.00 178.15 178.54 1gqm h VAL 11 N 0.14 0.77 -0.90 1.67 2.07 -1.08 -1.01 116.25 117.92 1gqm h VAL 11 Ca 0.23 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.77 1gqm h VAL 11 Cb 0.33 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1gqm h VAL 11 CO -0.36 0.00 0.59 0.78 0.02 0.00 0.00 177.57 178.60 1gqm h ASN 12 N -0.05 0.99 -0.61 0.57 2.35 0.58 -1.84 115.58 117.57 1gqm h ASN 12 Ca 0.08 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1gqm h ASN 12 Cb 0.18 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1gqm h ASN 12 CO -0.19 0.70 0.26 0.40 -1.65 0.00 0.00 177.43 176.95 1gqm h ILE 13 N 1.16 1.23 -0.29 2.81 5.03 0.39 0.18 117.51 128.02 1gqm h ILE 13 Ca 0.34 -0.69 0.05 0.00 -0.12 0.00 0.00 64.86 64.45 1gqm h ILE 13 Cb -0.05 0.54 -0.08 0.00 -3.03 0.00 0.00 36.82 34.21 1gqm h ILE 13 CO -0.09 0.27 -0.46 0.15 -0.68 0.00 0.00 178.15 177.34 1gqm h PHE 14 N 0.85 -1.35 -0.12 1.37 3.57 -0.40 -0.02 116.94 120.85 1gqm h PHE 14 Ca 0.21 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 1gqm h PHE 14 Cb 0.18 0.63 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1gqm h PHE 14 CO 0.01 -0.47 -0.15 0.45 -2.23 0.00 0.00 178.31 175.91 1gqm h HIS 15 N -0.42 0.20 -0.82 0.41 3.86 -1.00 0.17 115.15 117.54 1gqm h HIS 15 Ca 0.10 -0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.44 1gqm h HIS 15 Cb 0.61 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.97 1gqm h HIS 15 CO -0.59 0.34 0.54 0.37 0.86 0.00 0.00 177.93 179.45 1gqm h GLN 16 N 0.18 0.51 0.00 2.45 4.15 0.13 -2.63 115.11 119.89 1gqm h GLN 16 Ca 0.04 -0.03 -0.25 0.00 0.77 0.00 0.00 58.65 59.18 1gqm h GLN 16 Cb 0.38 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 1gqm h GLN 16 CO 0.02 0.34 -1.91 0.66 -1.93 0.00 0.00 178.83 176.01 1gqm n TYR 17 N -4.51 0.50 0.13 3.99 4.01 0.41 -4.45 117.16 117.23 1gqm n TYR 17 Ca 0.16 0.17 -0.00 0.00 -0.16 0.00 0.00 57.90 58.07 1gqm n TYR 17 Cb 0.52 -1.00 0.12 0.00 -0.31 0.00 0.00 39.34 38.67 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 0.86 7.72 4.64 -0.63 -3.20 113.55 122.94 1gqm h SER 18 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1gqm h SER 18 Cb 1.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 1gqm h SER 18 CO 0.04 0.63 -0.04 1.33 -0.87 0.00 0.00 176.83 177.91 1gqm n VAL 19 N -3.51 0.00 -0.13 0.95 0.24 -1.15 -4.05 118.33 110.68 1gqm n VAL 19 Ca -0.00 -0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 1gqm n VAL 19 Cb 0.69 -0.42 0.03 0.00 -1.47 0.00 0.00 33.84 32.67 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 0.02 0.29 -4.56 7.34 3.08 -1.79 -3.45 114.38 115.31 1gqm h ARG 20 Ca 0.00 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 59.81 1gqm h ARG 20 Cb 0.46 -0.06 -0.16 0.00 0.08 0.00 0.00 29.97 30.28 1gqm h ARG 20 CO 0.00 0.19 -0.70 0.15 -1.07 0.00 0.00 179.97 178.54 1gqm s LYS 21 N -6.15 0.72 4.84 0.04 1.02 -1.26 -5.10 119.74 113.85 1gqm s LYS 21 Ca -0.13 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.69 1gqm s LYS 21 Cb 0.13 -0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 1gqm s LYS 21 CO 0.72 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.54 1gqm n GLY 22 N 0.36 3.03 3.77 -3.33 0.00 -1.26 -4.55 105.19 103.21 1gqm n GLY 22 Ca -0.15 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1gqm n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gqm s HIS 23 N 0.00 2.74 0.19 1.61 2.46 -1.26 -4.93 115.29 116.10 1gqm s HIS 23 Ca 0.00 1.41 0.00 0.00 0.47 0.00 0.00 55.06 56.94 1gqm s HIS 23 Cb 0.00 -3.67 0.11 0.00 -0.13 0.00 0.00 32.58 28.90 1gqm s HIS 23 CO 0.00 -2.16 1.48 0.74 -2.47 0.00 0.00 174.74 172.32 1gqm h PHE 24 N 2.44 0.49 -0.17 3.88 0.04 -1.80 -3.29 116.94 118.54 1gqm h PHE 24 Ca -0.50 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.07 1gqm h PHE 24 Cb 1.25 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1gqm h PHE 24 CO 0.52 0.93 0.00 -3.47 -0.60 0.00 0.00 178.31 175.70 1gqm n ASP 25 N -3.86 2.00 -4.02 2.17 2.03 -1.26 -3.28 116.55 110.34 1gqm n ASP 25 Ca -0.04 -1.74 -0.09 0.00 0.52 0.00 0.00 54.79 53.45 1gqm n ASP 25 Cb 0.67 -0.11 -0.11 0.00 -0.72 0.00 0.00 41.12 40.86 1gqm n ASP 25 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1gqm s THR 26 N -1.79 0.17 -0.11 5.18 -4.23 -1.24 -4.37 115.64 109.25 1gqm s THR 26 Ca 0.34 -1.16 -0.14 0.00 -1.18 0.00 0.00 61.69 59.55 1gqm s THR 26 Cb 0.19 -0.61 -0.05 0.00 1.34 0.00 0.00 72.50 73.37 1gqm s THR 26 CO 0.28 -0.62 0.33 -0.76 -0.54 0.00 0.00 174.62 173.32 1gqm s LEU 27 N -1.85 4.32 0.63 4.79 1.43 -0.19 -4.64 118.68 123.17 1gqm s LEU 27 Ca -0.10 0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 53.66 1gqm s LEU 27 Cb -0.05 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 43.79 1gqm s LEU 27 CO -0.03 0.17 0.88 -0.94 0.23 0.00 0.00 176.35 176.66 1gqm s SER 28 N -0.02 4.91 0.22 2.29 1.04 -1.26 0.42 113.70 121.29 1gqm s SER 28 Ca 0.20 -0.04 -0.08 0.00 0.48 0.00 0.00 55.95 56.50 1gqm s SER 28 Cb -0.14 -0.65 0.28 0.00 0.10 0.00 0.00 66.02 65.61 1gqm s SER 28 CO 0.07 -1.44 1.80 0.50 0.98 0.00 0.00 173.24 175.15 1gqm h LYS 29 N -0.23 0.64 -0.24 4.02 3.64 -1.99 0.48 116.57 122.90 1gqm h LYS 29 Ca -0.41 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.96 1gqm h LYS 29 Cb 1.29 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1gqm h LYS 29 CO 0.50 0.43 0.09 0.78 -2.27 0.00 0.00 179.45 178.97 1gqm h GLY 30 N 0.66 0.29 1.12 5.01 0.00 -1.97 0.17 103.07 108.35 1gqm h GLY 30 Ca 0.32 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 1gqm h GLY 30 CO -0.21 0.03 0.52 0.83 0.00 0.00 0.00 176.54 177.72 1gqm h GLU 31 N 0.20 1.17 -0.15 4.80 5.08 -1.57 -1.61 114.58 122.50 1gqm h GLU 31 Ca 0.10 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1gqm h GLU 31 Cb 0.06 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1gqm h GLU 31 CO -0.10 0.82 -0.54 1.25 -1.00 0.00 0.00 179.01 179.43 1gqm h LEU 32 N 1.19 0.50 -0.74 1.33 5.85 0.65 -2.21 115.31 121.87 1gqm h LEU 32 Ca 0.31 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1gqm h LEU 32 Cb -0.06 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1gqm h LEU 32 CO -0.06 0.94 -0.07 0.50 -0.34 0.00 0.00 178.44 179.41 1gqm h LYS 33 N 0.34 0.90 0.91 1.25 3.64 -0.12 0.01 116.57 123.50 1gqm h LYS 33 Ca 0.01 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 1gqm h LYS 33 Cb 1.06 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1gqm h LYS 33 CO 0.10 0.93 -0.44 1.96 -2.27 0.00 0.00 179.45 179.73 1gqm h GLN 34 N 0.81 -1.18 -0.73 1.90 4.20 -1.12 -1.92 115.11 117.07 1gqm h GLN 34 Ca 0.14 0.08 0.14 0.00 0.06 0.00 0.00 58.65 59.07 1gqm h GLN 34 Cb 0.58 0.27 -0.14 0.00 0.30 0.00 0.00 27.48 28.49 1gqm h GLN 34 CO 0.04 -0.79 -0.23 1.25 -0.67 0.00 0.00 178.83 178.43 1gqm h LEU 35 N -1.28 -0.83 0.59 1.46 6.46 -1.35 -2.33 115.31 118.02 1gqm h LEU 35 Ca -0.13 0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1gqm h LEU 35 Cb 0.94 0.50 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 1gqm h LEU 35 CO 0.21 -0.26 -0.32 -0.07 -0.62 0.00 0.00 178.44 177.37 1gqm h LEU 36 N -0.04 -0.78 -1.23 2.25 3.38 -0.88 -1.27 115.31 116.74 1gqm h LEU 36 Ca 0.33 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.27 1gqm h LEU 36 Cb 0.55 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1gqm h LEU 36 CO -0.77 -0.52 -0.22 0.71 0.09 0.00 0.00 178.44 177.74 1gqm h THR 37 N -0.84 1.22 0.00 0.22 1.35 -0.84 -0.49 112.91 113.54 1gqm h THR 37 Ca -0.08 -1.03 -0.12 0.00 -0.55 0.00 0.00 66.41 64.64 1gqm h THR 37 Cb 0.66 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 1gqm h THR 37 CO 0.10 0.32 -1.66 1.17 -0.25 0.00 0.00 175.52 175.20 1gqm n LYS 38 N -4.19 0.64 -0.00 4.72 4.81 -0.95 -3.90 118.16 119.29 1gqm n LYS 38 Ca -0.01 0.04 0.06 0.00 -0.87 0.00 0.00 58.31 57.53 1gqm n LYS 38 Cb 0.34 -1.68 -0.08 0.00 0.02 0.00 0.00 35.03 33.63 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 -2.64 2.25 -0.11 1.64 -0.58 -0.48 -4.51 120.64 116.22 1gqm n GLU 39 Ca -0.10 -0.03 0.03 0.00 -0.42 0.00 0.00 57.16 56.64 1gqm n GLU 39 Cb 0.75 -1.15 0.04 0.00 -0.57 0.00 0.00 31.44 30.51 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 -1.45 1.31 -0.42 -4.62 4.32 -0.21 -4.83 117.00 111.10 1gqm n LEU 40 Ca 0.01 -1.69 0.35 0.00 -0.02 0.00 0.00 56.01 54.66 1gqm n LEU 40 Cb 0.23 -0.12 0.65 0.00 -1.62 0.00 0.00 43.42 42.57 1gqm n LEU 40 CO 0.26 0.41 1.28 0.00 -1.22 0.00 0.00 177.39 178.12 1gqm h ALA 41 N 0.00 2.81 -0.43 -1.18 0.00 -1.67 0.96 119.26 119.75 1gqm h ALA 41 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1gqm h ALA 41 Cb 0.90 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1gqm h ALA 41 CO 0.00 -1.32 0.00 0.09 0.00 0.00 0.00 179.25 178.02 1gqm n ASN 42 N -4.49 4.62 -0.00 0.00 3.02 -1.26 -4.61 115.26 112.54 1gqm n ASN 42 Ca 0.33 -2.85 -0.00 0.00 -0.03 0.00 0.00 54.58 52.03 1gqm n ASN 42 Cb 1.32 -0.58 -0.00 0.00 -0.61 0.00 0.00 39.78 39.91 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 0.19 0.04 -4.27 3.41 -1.04 0.33 -4.99 114.28 107.94 1gqm n THR 43 Ca 0.24 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.89 1gqm n THR 43 Cb 0.98 -0.63 -0.13 0.00 -1.82 0.00 0.00 70.33 68.72 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 3.53 0.46 12.58 1.01 -1.10 -4.84 121.20 130.81 1gqm s ILE 44 Ca -0.01 -0.47 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 1gqm s ILE 44 Cb 0.00 -2.56 -0.09 0.00 0.01 0.00 0.00 42.46 39.83 1gqm s ILE 44 CO 0.02 0.47 1.24 1.17 0.00 0.00 0.00 174.94 177.83 1gqm n LYS 45 N 4.07 1.77 -1.32 2.79 4.81 -1.26 -2.05 118.16 126.97 1gqm n LYS 45 Ca -0.18 0.63 -0.12 0.00 -0.87 0.00 0.00 58.31 57.78 1gqm n LYS 45 Cb 0.52 -2.37 -0.05 0.00 0.02 0.00 0.00 35.03 33.14 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 -0.05 -3.61 0.23 3.14 5.03 -1.26 -4.76 115.26 113.98 1gqm n ASN 46 Ca 0.08 0.30 0.15 0.00 0.87 0.00 0.00 54.58 55.98 1gqm n ASN 46 Cb 0.41 -3.24 0.62 0.00 -1.02 0.00 0.00 39.78 36.55 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 0.09 0.00 2.41 6.09 -1.76 0.10 117.51 124.44 1gqm h ILE 47 Ca -0.25 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 1gqm h ILE 47 Cb 0.86 0.48 0.00 0.00 0.47 0.00 0.00 36.82 38.63 1gqm h ILE 47 CO 0.36 0.00 0.00 0.11 -3.07 0.00 0.00 178.15 175.55 1gqm h LYS 48 N 0.00 0.00 -6.78 2.19 1.57 -1.86 -3.42 116.57 108.26 1gqm h LYS 48 Ca 0.09 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.36 1gqm h LYS 48 Cb 1.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.52 1gqm h LYS 48 CO -0.00 0.00 0.46 -0.51 -0.57 0.00 0.00 179.45 178.83 1gqm s ASP 49 N -5.42 7.31 0.27 0.86 1.01 0.35 -4.93 116.67 116.13 1gqm s ASP 49 Ca 0.06 2.21 -0.00 0.00 0.71 0.00 0.00 52.55 55.53 1gqm s ASP 49 Cb 0.08 -2.62 0.53 0.00 1.01 0.00 0.00 42.92 41.92 1gqm s ASP 49 CO 0.59 -0.11 1.80 0.11 0.21 0.00 0.00 175.17 177.77 1gqm h LYS 50 N 4.01 0.80 -0.70 8.23 1.57 -1.88 -2.32 116.57 126.27 1gqm h LYS 50 Ca -0.46 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 1gqm h LYS 50 Cb 1.21 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1gqm h LYS 50 CO 0.68 0.53 0.33 0.00 -0.57 0.00 0.00 179.45 180.42 1gqm h ALA 51 N 1.53 1.26 -0.21 3.86 0.00 -1.94 -1.47 119.26 122.28 1gqm h ALA 51 Ca 0.47 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 1gqm h ALA 51 Cb 0.54 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1gqm h ALA 51 CO -0.30 0.57 -0.61 0.28 0.00 0.00 0.00 179.25 179.18 1gqm h VAL 52 N 1.00 1.30 -0.32 0.00 2.07 -1.71 -1.28 116.25 117.30 1gqm h VAL 52 Ca 0.24 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1gqm h VAL 52 Cb 0.11 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1gqm h VAL 52 CO -0.03 0.58 0.15 0.40 0.02 0.00 0.00 177.57 178.70 1gqm h ILE 53 N 0.55 1.16 -0.73 4.57 2.04 -1.28 -0.34 117.51 123.47 1gqm h ILE 53 Ca -0.01 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 1gqm h ILE 53 Cb 1.21 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 1gqm h ILE 53 CO 0.13 0.17 0.23 0.44 0.00 0.00 0.00 178.15 179.11 1gqm h ASP 54 N 0.38 1.06 -0.72 1.72 3.32 -1.17 -0.97 116.42 120.03 1gqm h ASP 54 Ca 0.11 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 1gqm h ASP 54 Cb 0.13 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1gqm h ASP 54 CO -0.01 0.98 0.20 -0.08 -1.72 0.00 0.00 179.24 178.61 1gqm h GLU 55 N 1.08 1.14 -0.27 3.56 4.81 -0.71 0.90 114.58 125.11 1gqm h GLU 55 Ca 0.24 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1gqm h GLU 55 Cb 0.30 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1gqm h GLU 55 CO -0.01 0.99 -0.30 0.82 -0.73 0.00 0.00 179.01 179.78 1gqm h ILE 56 N 1.09 1.31 -0.42 2.32 2.04 -0.75 -2.03 117.51 121.06 1gqm h ILE 56 Ca 0.23 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1gqm h ILE 56 Cb 0.34 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1gqm h ILE 56 CO -0.00 0.47 0.28 0.15 0.00 0.00 0.00 178.15 179.04 1gqm h PHE 57 N 0.40 0.53 0.00 1.37 3.57 -0.93 -1.85 116.94 120.02 1gqm h PHE 57 Ca 0.04 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1gqm h PHE 57 Cb 0.87 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1gqm h PHE 57 CO 0.08 0.33 -0.13 1.96 -2.23 0.00 0.00 178.31 178.32 1gqm h GLN 58 N 0.57 0.00 0.15 1.11 1.08 -0.52 -2.17 115.11 115.33 1gqm h GLN 58 Ca 0.15 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.07 1gqm h GLN 58 Cb -0.07 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1gqm h GLN 58 CO -0.03 0.13 -1.20 0.78 -0.95 0.00 0.00 178.83 177.55 1gqm h GLY 59 N 0.46 0.62 0.99 3.46 0.00 -0.75 -3.30 103.07 104.55 1gqm h GLY 59 Ca -0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 47.33 45.92 1gqm h GLY 59 CO 0.02 1.21 0.24 1.41 0.00 0.00 0.00 176.54 179.42 1gqm h LEU 60 N 0.13 0.79 -6.31 3.11 3.38 -1.03 -3.36 115.31 112.02 1gqm h LEU 60 Ca -0.19 -0.16 -0.66 0.00 0.09 0.00 0.00 57.88 56.95 1gqm h LEU 60 Cb 1.90 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 42.47 1gqm h LEU 60 CO 0.23 0.74 2.55 -0.67 0.09 0.00 0.00 178.44 181.37 1gqm n ASP 61 N -4.49 2.98 0.26 -0.43 2.03 -0.85 -4.66 116.55 111.40 1gqm n ASP 61 Ca 0.03 -2.71 0.10 0.00 0.52 0.00 0.00 54.79 52.73 1gqm n ASP 61 Cb 0.16 -1.26 0.68 0.00 -0.72 0.00 0.00 41.12 39.98 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 7.32 1.63 -0.27 -1.67 0.00 -1.82 -2.31 119.26 122.15 1gqm h ALA 62 Ca 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1gqm h ALA 62 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1gqm h ALA 62 CO 1.93 0.11 0.00 0.27 0.00 0.00 0.00 179.25 181.56 1gqm n ASN 63 N -4.11 3.31 -3.49 0.00 6.94 -1.26 -4.97 115.26 111.68 1gqm n ASN 63 Ca -0.03 -1.99 -0.23 0.00 -0.02 0.00 0.00 54.58 52.31 1gqm n ASN 63 Cb 0.17 -0.16 0.08 0.00 -2.36 0.00 0.00 39.78 37.50 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 1.44 -7.67 -0.56 -3.83 1.13 -0.87 -4.89 117.38 102.14 1gqm n GLN 64 Ca 0.17 0.80 0.09 0.00 -1.94 0.00 0.00 57.00 56.13 1gqm n GLN 64 Cb 0.60 -5.77 0.34 0.00 0.11 0.00 0.00 30.24 25.52 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 -2.87 4.49 -1.77 1.08 5.68 -1.26 -4.91 116.55 116.98 1gqm n ASP 65 Ca -0.01 -2.36 -0.19 0.00 -0.50 0.00 0.00 54.79 51.73 1gqm n ASP 65 Cb 0.56 -0.56 -0.07 0.00 -1.14 0.00 0.00 41.12 39.92 1gqm n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1gqm n GLU 66 N 1.18 -1.51 -4.12 0.11 -0.58 -1.26 -4.99 120.64 109.46 1gqm n GLU 66 Ca 0.25 1.10 -0.15 0.00 -0.42 0.00 0.00 57.16 57.94 1gqm n GLU 66 Cb 0.82 -5.53 -0.12 0.00 -0.57 0.00 0.00 31.44 26.04 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 -3.99 0.60 -0.35 3.49 -1.52 -1.26 -4.44 119.66 112.19 1gqm s GLN 67 Ca 0.00 -0.70 -0.08 0.00 -1.95 0.00 0.00 55.36 52.63 1gqm s GLN 67 Cb 0.00 -0.46 0.03 0.00 -0.22 0.00 0.00 33.01 32.37 1gqm s GLN 67 CO 0.00 0.10 0.13 0.08 -0.25 0.00 0.00 175.29 175.35 1gqm s VAL 68 N -1.11 4.03 0.57 1.09 1.01 0.17 -4.68 120.40 121.48 1gqm s VAL 68 Ca -0.06 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 1gqm s VAL 68 Cb -0.09 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.06 1gqm s VAL 68 CO 0.01 -0.19 0.81 1.51 0.00 0.00 0.00 175.10 177.24 1gqm s ASP 69 N 1.45 5.25 0.15 3.32 1.47 -1.26 -1.02 116.67 126.03 1gqm s ASP 69 Ca -0.00 0.12 -0.16 0.00 1.18 0.00 0.00 52.55 53.68 1gqm s ASP 69 Cb -0.19 -0.99 0.07 0.00 -0.34 0.00 0.00 42.92 41.46 1gqm s ASP 69 CO 0.04 -1.19 1.73 0.15 0.68 0.00 0.00 175.17 176.59 1gqm h PHE 70 N -0.03 0.14 -0.40 2.11 3.57 -1.99 0.15 116.94 120.48 1gqm h PHE 70 Ca -0.43 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.18 1gqm h PHE 70 Cb 1.30 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.94 1gqm h PHE 70 CO 0.37 0.03 -0.17 1.96 -2.23 0.00 0.00 178.31 178.27 1gqm h GLN 71 N 0.21 -0.09 -0.41 1.11 1.08 -1.97 0.22 115.11 115.26 1gqm h GLN 71 Ca 0.16 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.39 1gqm h GLN 71 Cb 0.18 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1gqm h GLN 71 CO -0.21 -0.06 0.27 0.93 -0.95 0.00 0.00 178.83 178.81 1gqm h GLU 72 N -0.10 0.49 -0.26 1.46 5.08 -1.51 -2.57 114.58 117.17 1gqm h GLU 72 Ca 0.20 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1gqm h GLU 72 Cb 0.40 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1gqm h GLU 72 CO -0.46 0.32 -0.24 0.35 -1.00 0.00 0.00 179.01 177.98 1gqm h PHE 73 N 0.50 0.54 -0.79 4.33 3.04 0.21 -3.03 116.94 121.74 1gqm h PHE 73 Ca 0.16 -0.11 0.19 0.00 3.98 0.00 0.00 57.97 62.18 1gqm h PHE 73 Cb 0.02 -0.13 -0.14 0.00 2.56 0.00 0.00 35.95 38.26 1gqm h PHE 73 CO -0.00 0.69 0.06 0.82 -2.02 0.00 0.00 178.31 177.87 1gqm h ILE 74 N 0.43 0.33 -0.93 1.41 2.04 -0.89 0.48 117.51 120.39 1gqm h ILE 74 Ca 0.06 -0.04 0.21 0.00 1.00 0.00 0.00 64.86 66.09 1gqm h ILE 74 Cb 0.66 0.18 -0.12 0.00 -0.74 0.00 0.00 36.82 36.81 1gqm h ILE 74 CO 0.05 0.02 0.48 0.28 0.00 0.00 0.00 178.15 178.98 1gqm h SER 75 N 0.13 0.51 -0.63 1.72 0.02 -1.67 0.17 113.55 113.80 1gqm h SER 75 Ca 0.45 0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 61.44 1gqm h SER 75 Cb 0.83 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 1gqm h SER 75 CO -0.67 0.10 0.04 0.25 -1.14 0.00 0.00 176.83 175.41 1gqm h LEU 76 N 0.53 1.05 -0.60 5.07 5.85 -0.18 -0.80 115.31 126.23 1gqm h LEU 76 Ca 0.57 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 59.07 1gqm h LEU 76 Cb 1.01 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 1gqm h LEU 76 CO -0.47 1.08 0.30 0.58 -0.34 0.00 0.00 178.44 179.59 1gqm h VAL 77 N 1.00 0.91 -0.13 1.05 2.07 -0.40 0.24 116.25 120.98 1gqm h VAL 77 Ca 0.19 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1gqm h VAL 77 Cb 0.51 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1gqm h VAL 77 CO 0.02 0.10 -0.24 0.00 0.02 0.00 0.00 177.57 177.47 1gqm h ALA 78 N 1.34 -0.22 -0.70 1.67 0.00 -0.17 0.34 119.26 121.53 1gqm h ALA 78 Ca 0.28 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.30 1gqm h ALA 78 Cb 0.22 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1gqm h ALA 78 CO -0.21 -0.70 0.39 0.82 0.00 0.00 0.00 179.25 179.55 1gqm h ILE 79 N -0.30 0.95 -0.04 0.00 2.04 -0.21 -2.37 117.51 117.56 1gqm h ILE 79 Ca 0.10 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1gqm h ILE 79 Cb 0.45 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1gqm h ILE 79 CO -0.31 0.13 -0.03 0.00 0.00 0.00 0.00 178.15 177.95 1gqm h ALA 80 N 1.38 0.06 -0.91 1.87 0.00 0.86 -2.81 119.26 119.71 1gqm h ALA 80 Ca 0.32 -0.24 0.26 0.00 0.00 0.00 0.00 54.91 55.25 1gqm h ALA 80 Cb 0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1gqm h ALA 80 CO -0.20 -0.19 0.65 -0.07 0.00 0.00 0.00 179.25 179.44 1gqm h LEU 81 N -0.32 0.03 0.51 0.00 3.38 -0.23 0.13 115.31 118.81 1gqm h LEU 81 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1gqm h LEU 81 Cb 0.48 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1gqm h LEU 81 CO 0.01 0.01 -0.25 0.50 0.09 0.00 0.00 178.44 178.80 1gqm h LYS 82 N 0.03 -0.67 -0.62 1.13 3.64 -1.17 -2.04 116.57 116.89 1gqm h LYS 82 Ca 0.44 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.91 1gqm h LYS 82 Cb 1.70 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 33.62 1gqm h LYS 82 CO -0.02 -0.36 0.34 0.00 -2.27 0.00 0.00 179.45 177.14 1gqm h ALA 83 N -0.66 0.81 -0.69 5.00 0.00 -0.97 -2.29 119.26 120.46 1gqm h ALA 83 Ca -0.07 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1gqm h ALA 83 Cb 0.61 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1gqm h ALA 83 CO 0.12 0.02 0.22 0.00 0.00 0.00 0.00 179.25 179.60 1gqm h ALA 84 N 1.32 1.07 0.00 0.00 0.00 -0.76 -0.37 119.26 120.52 1gqm h ALA 84 Ca 0.27 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1gqm h ALA 84 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1gqm h ALA 84 CO -0.17 0.63 -0.29 1.25 0.00 0.00 0.00 179.25 180.67 1gqm h HIS 85 N 1.03 0.00 -0.17 0.00 6.17 -0.95 -3.19 115.15 118.04 1gqm h HIS 85 Ca 0.23 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.30 1gqm h HIS 85 Cb 0.29 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.21 1gqm h HIS 85 CO 0.02 0.29 0.10 -0.92 0.71 0.00 0.00 177.93 178.13 1gqm h TYR 86 N 0.00 0.22 0.00 5.26 3.20 -0.52 -3.52 116.97 121.61 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 0.53 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1gqm h TYR 86 CO 0.00 0.18 0.00 1.58 -1.64 0.00 0.00 178.16 178.28