#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qgh s ASP 8 N 0.00 1.55 0.16 4.52 -4.77 -1.26 -5.03 116.67 111.84 1qgh s ASP 8 Ca 0.00 -1.10 -0.16 0.00 -3.30 0.00 0.00 52.55 47.99 1qgh s ASP 8 Cb 0.00 0.04 0.09 0.00 -1.09 0.00 0.00 42.92 41.96 1qgh s ASP 8 CO 0.00 -0.46 1.72 0.74 0.70 0.00 0.00 175.17 177.88 1qgh h THR 9 N 2.71 0.79 -0.85 2.11 2.02 -1.98 0.18 112.91 117.90 1qgh h THR 9 Ca -0.37 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 66.78 1qgh h THR 9 Cb 1.20 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 1qgh h THR 9 CO 0.64 0.03 0.55 0.11 0.37 0.00 0.00 175.52 177.22 1qgh h LYS 10 N 0.18 1.05 -0.65 6.66 1.57 -1.97 0.19 116.57 123.60 1qgh h LYS 10 Ca 0.18 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1qgh h LYS 10 Cb 0.22 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1qgh h LYS 10 CO -0.25 0.69 0.16 0.93 -0.57 0.00 0.00 179.45 180.42 1qgh h GLU 11 N 1.08 1.01 -0.10 3.15 3.07 -1.76 -1.52 114.58 119.52 1qgh h GLU 11 Ca 0.33 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1qgh h GLU 11 Cb -0.02 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1qgh h GLU 11 CO -0.11 0.90 0.04 0.35 -1.40 0.00 0.00 179.01 178.79 1qgh h PHE 12 N 0.97 0.14 -0.13 4.33 3.57 0.84 -1.16 116.94 125.49 1qgh h PHE 12 Ca 0.21 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1qgh h PHE 12 Cb 0.34 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1qgh h PHE 12 CO 0.02 0.23 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.11 1qgh h LEU 13 N 0.01 -0.49 -1.63 0.59 4.07 -0.49 -1.43 115.31 115.94 1qgh h LEU 13 Ca 0.03 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1qgh h LEU 13 Cb 0.14 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 1qgh h LEU 13 CO -0.00 -0.20 0.10 -1.13 -1.08 0.00 0.00 178.44 176.12 1qgh h ASN 14 N -0.19 0.30 0.17 -0.43 -1.24 -1.14 0.74 115.58 113.79 1qgh h ASN 14 Ca 0.10 -0.02 -0.07 0.00 0.71 0.00 0.00 56.30 57.02 1qgh h ASN 14 Cb 0.33 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 1qgh h ASN 14 CO -0.25 0.28 -0.25 -0.74 -1.29 0.00 0.00 177.43 175.18 1qgh h HIS 15 N 0.34 0.15 -0.03 0.67 2.76 -0.20 -1.41 115.15 117.43 1qgh h HIS 15 Ca 0.09 -0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.07 1qgh h HIS 15 Cb 0.07 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1qgh h HIS 15 CO 0.00 0.38 -0.70 1.96 -1.30 0.00 0.00 177.93 178.28 1qgh h GLN 16 N 0.13 0.14 -0.50 5.26 1.08 0.13 -1.50 115.11 119.84 1qgh h GLN 16 Ca 0.02 -0.12 0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1qgh h GLN 16 Cb 0.52 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.93 1qgh h GLN 16 CO 0.04 0.78 0.28 0.28 -0.95 0.00 0.00 178.83 179.26 1qgh h VAL 17 N 0.10 1.01 -0.06 -0.54 2.07 -0.04 0.36 116.25 119.16 1qgh h VAL 17 Ca -0.02 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1qgh h VAL 17 Cb 1.24 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1qgh h VAL 17 CO 0.10 0.10 0.01 0.00 0.02 0.00 0.00 177.57 177.80 1qgh h ALA 18 N 1.24 0.07 -0.59 1.67 0.00 -1.22 -1.64 119.26 118.79 1qgh h ALA 18 Ca 0.21 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1qgh h ALA 18 Cb 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1qgh h ALA 18 CO -0.12 -0.28 0.32 -0.91 0.00 0.00 0.00 179.25 178.26 1qgh h ASN 19 N -0.16 0.49 -0.84 0.00 2.35 -0.52 -2.38 115.58 114.52 1qgh h ASN 19 Ca 0.02 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1qgh h ASN 19 Cb 0.28 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 1qgh h ASN 19 CO 0.00 0.33 0.41 -0.07 -1.65 0.00 0.00 177.43 176.45 1qgh h LEU 20 N 0.62 1.10 -1.45 1.61 4.07 -0.18 0.13 115.31 121.20 1qgh h LEU 20 Ca 0.26 -0.13 -0.06 0.00 0.08 0.00 0.00 57.88 58.03 1qgh h LEU 20 Cb 0.13 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 1qgh h LEU 20 CO -0.16 0.92 -0.24 0.78 -1.08 0.00 0.00 178.44 178.67 1qgh h ASN 21 N 1.20 0.05 0.27 -0.43 2.35 -0.81 -0.93 115.58 117.28 1qgh h ASN 21 Ca 0.29 -0.01 -0.26 0.00 -0.55 0.00 0.00 56.30 55.77 1qgh h ASN 21 Cb 0.11 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.48 1qgh h ASN 21 CO -0.04 0.29 -1.10 0.58 -1.65 0.00 0.00 177.43 175.51 1qgh h VAL 22 N 0.05 1.36 -0.66 2.81 2.07 -0.92 -3.11 116.25 117.85 1qgh h VAL 22 Ca 0.01 -2.52 -0.06 0.00 0.82 0.00 0.00 66.70 64.94 1qgh h VAL 22 Cb 0.45 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 1qgh h VAL 22 CO 0.03 0.76 0.16 0.15 0.02 0.00 0.00 177.57 178.70 1qgh h PHE 23 N 0.24 1.10 -0.70 1.57 3.57 -0.60 -1.22 116.94 120.90 1qgh h PHE 23 Ca -0.13 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1qgh h PHE 23 Cb 1.77 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 40.16 1qgh h PHE 23 CO 0.08 0.91 0.45 0.00 -2.23 0.00 0.00 178.31 177.52 1qgh h THR 24 N 0.97 1.19 -0.16 4.41 1.03 -1.21 0.06 112.91 119.20 1qgh h THR 24 Ca 0.21 -0.36 -0.11 0.00 -0.01 0.00 0.00 66.41 66.14 1qgh h THR 24 Cb 0.36 0.18 -0.01 0.00 -1.07 0.00 0.00 68.15 67.60 1qgh h THR 24 CO 0.00 0.18 -0.37 0.58 -0.01 0.00 0.00 175.52 175.90 1qgh h VAL 25 N 0.95 1.30 -0.22 0.00 2.07 -1.42 -1.74 116.25 117.18 1qgh h VAL 25 Ca 0.25 -1.47 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 1qgh h VAL 25 Cb -0.09 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1qgh h VAL 25 CO -0.05 0.45 -0.35 0.50 0.02 0.00 0.00 177.57 178.14 1qgh h LYS 26 N 0.30 0.48 -0.50 1.57 3.64 0.03 -0.14 116.57 121.94 1qgh h LYS 26 Ca 0.03 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1qgh h LYS 26 Cb 0.80 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1qgh h LYS 26 CO 0.06 0.77 0.31 0.82 -2.27 0.00 0.00 179.45 179.15 1qgh h ILE 27 N 0.41 1.15 -0.48 2.00 2.04 -0.26 -0.44 117.51 121.93 1qgh h ILE 27 Ca 0.05 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1qgh h ILE 27 Cb 0.80 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1qgh h ILE 27 CO 0.07 0.15 0.23 0.45 0.00 0.00 0.00 178.15 179.04 1qgh h HIS 28 N 0.68 0.65 -0.37 1.37 3.86 -0.75 -0.59 115.15 120.00 1qgh h HIS 28 Ca 0.18 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1qgh h HIS 28 Cb -0.03 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 1qgh h HIS 28 CO -0.03 0.49 0.18 0.37 0.86 0.00 0.00 177.93 179.79 1qgh h GLN 29 N 0.67 0.53 -0.54 2.45 4.15 0.51 0.14 115.11 123.01 1qgh h GLN 29 Ca 0.17 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1qgh h GLN 29 Cb 0.08 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 1qgh h GLN 29 CO -0.02 0.47 0.34 0.82 -1.93 0.00 0.00 178.83 178.51 1qgh h ILE 30 N 0.46 1.15 -0.97 2.39 2.04 -0.65 -0.45 117.51 121.48 1qgh h ILE 30 Ca 0.13 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.72 1qgh h ILE 30 Cb 0.11 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 1qgh h ILE 30 CO -0.02 0.15 0.63 -0.74 0.00 0.00 0.00 178.15 178.18 1qgh h HIS 31 N 0.73 1.18 0.15 1.37 2.76 -0.71 0.21 115.15 120.84 1qgh h HIS 31 Ca 0.20 0.03 -0.31 0.00 -2.20 0.00 0.00 60.37 58.08 1qgh h HIS 31 Cb -0.05 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.52 1qgh h HIS 31 CO -0.03 0.66 -1.52 -1.49 -1.30 0.00 0.00 177.93 174.24 1qgh h TRP 32 N 1.20 0.58 0.00 5.26 6.55 -0.68 -3.39 115.95 125.47 1qgh h TRP 32 Ca 0.40 -0.42 0.00 0.00 0.95 0.00 0.00 58.89 59.82 1qgh h TRP 32 Cb 0.06 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.33 1qgh h TRP 32 CO -0.01 1.44 -1.33 0.66 -1.05 0.00 0.00 178.44 178.15 1qgh n TYR 33 N -3.52 0.13 -1.49 0.49 4.01 -0.20 -4.98 117.16 111.60 1qgh n TYR 33 Ca -0.17 0.04 -0.36 0.00 -0.16 0.00 0.00 57.90 57.25 1qgh n TYR 33 Cb 1.06 -0.35 0.08 0.00 -0.31 0.00 0.00 39.34 39.82 1qgh n TYR 33 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qgh n MET 34 N -1.95 0.72 -3.65 -0.72 0.00 0.05 -5.00 117.12 106.57 1qgh n MET 34 Ca 0.01 0.31 -0.13 0.00 0.00 0.00 0.00 57.70 57.88 1qgh n MET 34 Cb 0.45 -2.36 -0.06 0.00 0.00 0.00 0.00 33.22 31.24 1qgh n MET 34 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1qgh s ARG 35 N -3.40 0.91 0.00 3.17 0.52 -1.26 -5.02 118.95 113.87 1qgh s ARG 35 Ca 0.77 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.72 1qgh s ARG 35 Cb -0.36 0.41 0.00 0.00 0.52 0.00 0.00 34.95 35.52 1qgh s ARG 35 CO 0.46 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.89 1qgh n GLY 36 N 0.64 3.20 0.39 -3.53 0.00 -1.26 -4.52 105.19 100.11 1qgh n GLY 36 Ca -0.19 -1.94 0.17 0.00 0.00 0.00 0.00 46.02 44.06 1qgh n GLY 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1qgh h HIS 37 N 0.00 0.00 -0.31 1.61 3.86 -2.07 0.19 115.15 118.43 1qgh h HIS 37 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1qgh h HIS 37 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1qgh h HIS 37 CO 0.00 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.88 1qgh n ASN 38 N -3.20 2.15 -0.14 2.45 4.13 -1.26 -4.55 115.26 114.84 1qgh n ASN 38 Ca 0.07 -1.88 -0.08 0.00 1.68 0.00 0.00 54.58 54.37 1qgh n ASN 38 Cb 0.78 -0.21 -0.02 0.00 -1.54 0.00 0.00 39.78 38.79 1qgh n ASN 38 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1qgh h PHE 39 N 2.59 -1.02 0.25 3.10 3.57 -0.93 -0.12 116.94 124.38 1qgh h PHE 39 Ca 0.00 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1qgh h PHE 39 Cb 0.58 0.51 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 1qgh h PHE 39 CO 0.21 -0.40 -0.32 0.74 -2.23 0.00 0.00 178.31 176.31 1qgh h PHE 40 N -0.25 -0.86 0.07 0.41 0.04 -1.83 0.25 116.94 114.77 1qgh h PHE 40 Ca 0.18 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 1qgh h PHE 40 Cb 0.56 0.34 -0.00 0.00 2.20 0.00 0.00 35.95 39.05 1qgh h PHE 40 CO -0.59 -0.44 -0.05 0.00 -0.60 0.00 0.00 178.31 176.63 1qgh h THR 41 N -0.62 0.89 -0.14 -1.55 1.03 -1.83 -2.48 112.91 108.20 1qgh h THR 41 Ca -0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 66.41 66.30 1qgh h THR 41 Cb 0.59 0.89 -0.01 0.00 -1.07 0.00 0.00 68.15 68.55 1qgh h THR 41 CO -0.10 0.00 -0.35 -0.07 -0.01 0.00 0.00 175.52 174.99 1qgh h LEU 42 N -0.12 0.30 -0.64 0.00 4.07 -0.96 -0.10 115.31 117.84 1qgh h LEU 42 Ca -0.00 -0.11 0.03 0.00 0.08 0.00 0.00 57.88 57.87 1qgh h LEU 42 Cb 0.11 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 41.73 1qgh h LEU 42 CO -0.00 0.63 0.40 -0.74 -1.08 0.00 0.00 178.44 177.65 1qgh h HIS 43 N 0.25 0.74 -0.19 1.13 2.76 -0.32 -0.03 115.15 119.49 1qgh h HIS 43 Ca 0.03 0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 58.02 1qgh h HIS 43 Cb 0.74 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.46 1qgh h HIS 43 CO 0.02 0.42 -0.68 0.93 -1.30 0.00 0.00 177.93 177.31 1qgh h GLU 44 N 0.78 0.77 -0.87 5.26 5.08 -0.99 -2.97 114.58 121.63 1qgh h GLU 44 Ca 0.26 -0.57 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 1qgh h GLU 44 Cb 0.02 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1qgh h GLU 44 CO -0.11 1.19 0.57 -0.22 -1.00 0.00 0.00 179.01 179.44 1qgh h LYS 45 N 0.55 0.98 -0.27 2.33 1.63 -0.40 -0.44 116.57 120.96 1qgh h LYS 45 Ca -0.02 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.65 1qgh h LYS 45 Cb 1.30 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.69 1qgh h LYS 45 CO 0.14 0.65 -0.13 0.52 -3.45 0.00 0.00 179.45 177.18 1qgh h MET 46 N 1.01 0.45 -0.43 1.90 2.86 -0.92 -1.02 114.93 118.79 1qgh h MET 46 Ca 0.36 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1qgh h MET 46 Cb 0.15 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1qgh h MET 46 CO -0.13 0.58 0.19 -0.44 1.06 0.00 0.00 176.91 178.18 1qgh h ASP 47 N 0.42 0.53 -0.20 1.22 3.32 -0.94 0.14 116.42 120.91 1qgh h ASP 47 Ca 0.08 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 1qgh h ASP 47 Cb 0.49 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1qgh h ASP 47 CO 0.03 0.46 -0.40 0.44 -1.72 0.00 0.00 179.24 178.06 1qgh h ASP 48 N 0.59 0.69 -0.65 6.45 3.32 -0.78 -2.51 116.42 123.53 1qgh h ASP 48 Ca 0.15 -0.55 -0.07 0.00 0.02 0.00 0.00 57.03 56.58 1qgh h ASP 48 Cb 0.08 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1qgh h ASP 48 CO -0.02 1.11 0.12 -0.07 -1.72 0.00 0.00 179.24 178.66 1qgh h LEU 49 N 0.30 1.02 -0.35 1.55 4.07 -0.75 -1.20 115.31 119.94 1qgh h LEU 49 Ca 0.01 -0.25 0.06 0.00 0.08 0.00 0.00 57.88 57.77 1qgh h LEU 49 Cb 1.00 -0.27 -0.06 0.00 1.08 0.00 0.00 40.66 42.41 1qgh h LEU 49 CO 0.09 1.01 -0.00 0.22 -1.08 0.00 0.00 178.44 178.68 1qgh h TYR 50 N 0.98 -0.02 -0.20 1.13 3.20 -0.60 0.86 116.97 122.32 1qgh h TYR 50 Ca 0.20 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1qgh h TYR 50 Cb 0.42 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1qgh h TYR 50 CO 0.03 -0.06 0.04 0.77 -1.64 0.00 0.00 178.16 177.30 1qgh h SER 51 N 0.10 0.31 0.20 -2.11 0.02 -1.12 -0.56 113.55 110.39 1qgh h SER 51 Ca 0.17 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1qgh h SER 51 Cb 0.23 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1qgh h SER 51 CO -0.28 0.47 -0.14 -0.08 -1.14 0.00 0.00 176.83 175.66 1qgh h GLU 52 N 0.13 -0.33 0.00 3.45 4.81 -0.88 -0.30 114.58 121.45 1qgh h GLU 52 Ca 0.06 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1qgh h GLU 52 Cb 0.29 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1qgh h GLU 52 CO 0.00 -0.22 -0.22 0.74 -0.73 0.00 0.00 179.01 178.58 1qgh h PHE 53 N -0.34 0.00 -0.23 0.92 -1.00 -0.86 0.18 116.94 115.61 1qgh h PHE 53 Ca -0.01 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.64 1qgh h PHE 53 Cb 0.30 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1qgh h PHE 53 CO -0.10 0.22 -0.39 0.78 -1.61 0.00 0.00 178.31 177.21 1qgh h GLY 54 N 0.80 0.58 0.90 -1.45 0.00 -0.80 -0.80 103.07 102.29 1qgh h GLY 54 Ca -0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 46.64 1qgh h GLY 54 CO 0.03 0.52 -0.36 0.83 0.00 0.00 0.00 176.54 177.56 1qgh h GLU 55 N 0.44 0.57 -0.99 4.80 5.08 0.68 -1.99 114.58 123.18 1qgh h GLU 55 Ca 0.04 -0.36 0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1qgh h GLU 55 Cb 0.88 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.09 1qgh h GLU 55 CO 0.08 0.98 0.62 1.96 -1.00 0.00 0.00 179.01 181.64 1qgh h GLN 56 N 0.23 0.94 0.23 2.33 4.20 -0.76 -0.13 115.11 122.16 1qgh h GLN 56 Ca 0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1qgh h GLN 56 Cb 0.95 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1qgh h GLN 56 CO 0.08 0.62 -0.17 1.98 -0.67 0.00 0.00 178.83 180.67 1qgh h MET 57 N 0.97 -0.40 -0.51 1.46 4.05 -0.93 0.38 114.93 119.95 1qgh h MET 57 Ca 0.49 0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.90 1qgh h MET 57 Cb 0.49 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1qgh h MET 57 CO -0.27 -0.27 0.16 0.22 0.23 0.00 0.00 176.91 176.99 1qgh h ASP 58 N -0.41 0.70 -0.41 1.39 3.58 -0.54 -1.32 116.42 119.40 1qgh h ASP 58 Ca -0.01 -0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.20 1qgh h ASP 58 Cb 0.36 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1qgh h ASP 58 CO -0.01 0.66 -0.25 -0.33 -2.88 0.00 0.00 179.24 176.43 1qgh h GLU 59 N 0.74 0.93 -0.59 0.28 5.08 -0.27 0.24 114.58 120.99 1qgh h GLU 59 Ca 0.17 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1qgh h GLU 59 Cb 0.22 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1qgh h GLU 59 CO -0.01 1.07 0.19 0.28 -1.00 0.00 0.00 179.01 179.55 1qgh h VAL 60 N 0.80 1.24 -0.31 3.13 2.07 0.14 -0.31 116.25 123.01 1qgh h VAL 60 Ca 0.10 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1qgh h VAL 60 Cb 0.82 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1qgh h VAL 60 CO 0.07 0.30 0.13 0.00 0.02 0.00 0.00 177.57 178.10 1qgh h ALA 61 N 1.06 0.40 -0.05 1.67 0.00 -0.78 -0.45 119.26 121.12 1qgh h ALA 61 Ca 0.19 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1qgh h ALA 61 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1qgh h ALA 61 CO -0.01 -0.02 -0.42 0.93 0.00 0.00 0.00 179.25 179.73 1qgh h GLU 62 N 0.36 0.10 -0.42 0.00 5.08 -0.38 -0.82 114.58 118.50 1qgh h GLU 62 Ca 0.10 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1qgh h GLU 62 Cb 0.16 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1qgh h GLU 62 CO -0.01 0.51 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.27 1qgh h ARG 63 N 0.09 0.78 -0.33 2.33 9.65 -0.47 0.90 114.38 127.32 1qgh h ARG 63 Ca 0.01 -0.28 -0.04 0.00 -1.10 0.00 0.00 59.98 58.57 1qgh h ARG 63 Cb 0.79 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.30 1qgh h ARG 63 CO 0.06 0.88 0.07 1.25 2.80 0.00 0.00 179.97 185.03 1qgh h LEU 64 N 0.69 0.52 -1.12 3.80 5.85 -0.49 -0.61 115.31 123.95 1qgh h LEU 64 Ca 0.11 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1qgh h LEU 64 Cb 0.64 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1qgh h LEU 64 CO 0.04 0.63 0.27 0.25 -0.34 0.00 0.00 178.44 179.29 1qgh h LEU 65 N 0.38 0.80 -1.12 2.25 5.85 -0.94 0.88 115.31 123.42 1qgh h LEU 65 Ca 0.10 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1qgh h LEU 65 Cb 0.32 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1qgh h LEU 65 CO 0.00 0.71 -0.33 0.00 -0.34 0.00 0.00 178.44 178.48 1qgh h ALA 66 N 1.42 1.08 -0.40 1.25 0.00 -0.10 -2.18 119.26 120.33 1qgh h ALA 66 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qgh h ALA 66 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qgh h ALA 66 CO -0.02 0.41 0.00 0.44 0.00 0.00 0.00 179.25 180.08 1qgh n ILE 67 N -3.60 1.39 -0.40 0.00 -5.35 -0.30 -4.88 119.36 106.21 1qgh n ILE 67 Ca -0.01 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 1qgh n ILE 67 Cb 0.45 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 1qgh n ILE 67 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qgh n GLY 68 N 0.66 0.76 2.08 3.28 0.00 -0.82 -5.07 105.19 106.08 1qgh n GLY 68 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 1qgh n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qgh n GLY 69 N -2.23 -0.79 2.59 -0.02 0.00 0.30 -4.96 105.19 100.07 1qgh n GLY 69 Ca 0.00 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 1qgh n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qgh s SER 70 N -3.50 2.95 0.55 1.61 0.01 -1.26 -4.29 113.70 109.77 1qgh s SER 70 Ca 0.39 -0.95 -0.19 0.00 1.31 0.00 0.00 55.95 56.50 1qgh s SER 70 Cb -0.01 -0.32 -0.06 0.00 0.21 0.00 0.00 66.02 65.84 1qgh s SER 70 CO 0.27 -0.39 1.14 -2.16 0.41 0.00 0.00 173.24 172.51 1qgh s PRO 71 N 2.10 3.32 0.58 12.44 0.04 -1.26 -4.97 135.00 147.25 1qgh s PRO 71 Ca 0.05 1.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.53 1qgh s PRO 71 Cb -0.16 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1qgh s PRO 71 CO -0.22 -0.88 1.26 -0.06 0.04 0.00 0.00 177.00 177.14 1qgh s PHE 72 N -1.75 2.32 -0.35 0.56 0.08 -1.26 -4.96 117.98 112.62 1qgh s PHE 72 Ca 0.73 1.47 0.14 0.00 0.12 0.00 0.00 56.93 59.40 1qgh s PHE 72 Cb -0.25 -3.61 0.43 0.00 -0.57 0.00 0.00 43.02 39.02 1qgh s PHE 72 CO 0.27 -2.51 1.27 -1.13 -0.10 0.00 0.00 175.22 173.02 1qgh n SER 73 N -1.44 -0.53 -3.62 1.36 3.41 -1.26 -4.96 113.62 106.58 1qgh n SER 73 Ca 0.13 -2.41 -0.15 0.00 -0.26 0.00 0.00 58.87 56.18 1qgh n SER 73 Cb 0.48 0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 64.72 1qgh n SER 73 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qgh s THR 74 N -1.16 0.01 0.26 6.66 -4.23 -1.26 -5.03 115.64 110.88 1qgh s THR 74 Ca 0.21 -0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 60.64 1qgh s THR 74 Cb 0.41 -0.88 0.23 0.00 1.34 0.00 0.00 72.50 73.61 1qgh s THR 74 CO -0.06 -0.03 1.79 -0.07 -0.54 0.00 0.00 174.62 175.71 1qgh h LEU 75 N 4.23 0.65 -0.21 4.79 4.07 -1.98 -0.15 115.31 126.70 1qgh h LEU 75 Ca -0.28 0.06 0.06 0.00 0.08 0.00 0.00 57.88 57.80 1qgh h LEU 75 Cb 1.16 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 42.78 1qgh h LEU 75 CO 0.25 0.33 -0.22 0.50 -1.08 0.00 0.00 178.44 178.22 1qgh h LYS 76 N 0.75 -0.23 -0.78 1.13 3.64 -1.99 0.47 116.57 119.57 1qgh h LYS 76 Ca 0.44 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.84 1qgh h LYS 76 Cb 0.50 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1qgh h LYS 76 CO -0.29 -0.16 0.51 0.93 -2.27 0.00 0.00 179.45 178.17 1qgh h GLU 77 N -0.24 1.02 0.11 1.90 5.08 -1.58 0.14 114.58 121.00 1qgh h GLU 77 Ca 0.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1qgh h GLU 77 Cb 0.43 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1qgh h GLU 77 CO -0.35 0.67 -0.05 0.74 -1.00 0.00 0.00 179.01 179.02 1qgh h PHE 78 N 1.05 -0.13 -0.72 4.33 0.04 0.17 0.32 116.94 122.00 1qgh h PHE 78 Ca 0.29 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.14 1qgh h PHE 78 Cb -0.11 0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.01 1qgh h PHE 78 CO -0.02 -0.04 0.36 -0.07 -0.60 0.00 0.00 178.31 177.94 1qgh h LEU 79 N -0.19 0.49 -1.27 1.54 3.38 0.48 -0.18 115.31 119.55 1qgh h LEU 79 Ca -0.01 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1qgh h LEU 79 Cb 0.15 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1qgh h LEU 79 CO 0.02 0.28 -0.03 -0.33 0.09 0.00 0.00 178.44 178.48 1qgh h GLU 80 N 0.62 0.46 0.00 1.13 5.08 -0.23 -3.30 114.58 118.34 1qgh h GLU 80 Ca 0.35 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1qgh h GLU 80 Cb 0.35 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1qgh h GLU 80 CO -0.26 0.51 -1.50 0.09 -1.00 0.00 0.00 179.01 176.85 1qgh n ASN 81 N -4.28 0.48 -4.77 1.42 4.13 0.06 -5.02 115.26 107.28 1qgh n ASN 81 Ca 0.01 -0.46 -0.37 0.00 1.68 0.00 0.00 54.58 55.44 1qgh n ASN 81 Cb 0.25 1.48 -0.00 0.00 -1.54 0.00 0.00 39.78 39.97 1qgh n ASN 81 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qgh s ALA 82 N -3.27 2.98 -0.27 5.41 0.00 -0.15 -4.85 121.76 121.61 1qgh s ALA 82 Ca -0.00 1.00 0.22 0.00 0.00 0.00 0.00 51.96 53.18 1qgh s ALA 82 Cb 0.15 -3.41 -0.19 0.00 0.00 0.00 0.00 23.12 19.67 1qgh s ALA 82 CO 0.89 -0.74 0.74 -1.13 0.00 0.00 0.00 175.76 175.51 1qgh n SER 83 N -0.48 0.38 -4.74 0.00 3.41 -1.26 -4.89 113.62 106.05 1qgh n SER 83 Ca 0.07 -0.07 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1qgh n SER 83 Cb 0.47 1.36 -0.03 0.00 -0.26 0.00 0.00 64.21 65.75 1qgh n SER 83 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qgh s VAL 84 N -3.38 3.36 0.01 -3.33 1.01 -1.26 -5.01 120.40 111.80 1qgh s VAL 84 Ca -0.03 1.14 -0.09 0.00 0.00 0.00 0.00 61.98 63.00 1qgh s VAL 84 Cb 0.13 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1qgh s VAL 84 CO 0.86 0.18 0.33 -1.61 0.00 0.00 0.00 175.10 174.86 1qgh s GLU 85 N -0.22 3.70 0.17 2.72 0.41 -1.26 -4.99 118.70 119.23 1qgh s GLU 85 Ca 0.55 0.11 0.07 0.00 -0.41 0.00 0.00 54.97 55.28 1qgh s GLU 85 Cb -0.35 -3.10 -0.04 0.00 -1.78 0.00 0.00 34.13 28.86 1qgh s GLU 85 CO 0.38 0.65 -0.14 -1.83 -0.49 0.00 0.00 175.26 173.83 1qgh s GLU 86 N -1.57 1.21 -0.20 1.61 -1.05 -1.26 -5.04 118.70 112.39 1qgh s GLU 86 Ca 0.27 -1.48 -0.13 0.00 -0.15 0.00 0.00 54.97 53.48 1qgh s GLU 86 Cb -0.14 -0.99 0.06 0.00 -0.44 0.00 0.00 34.13 32.62 1qgh s GLU 86 CO 0.15 0.17 0.50 0.00 0.95 0.00 0.00 175.26 177.03 1qgh s ALA 87 N -2.80 -1.31 0.46 -0.84 0.00 -1.26 -5.14 121.76 110.88 1qgh s ALA 87 Ca 0.18 1.73 -0.23 0.00 0.00 0.00 0.00 51.96 53.64 1qgh s ALA 87 Cb -0.01 -1.03 -0.09 0.00 0.00 0.00 0.00 23.12 21.98 1qgh s ALA 87 CO 0.05 -0.29 1.03 -0.35 0.00 0.00 0.00 175.76 176.20 1qgh n PRO 88 N 3.93 1.32 -3.06 0.00 -0.04 -1.26 -4.88 135.00 131.01 1qgh n PRO 88 Ca -0.20 0.48 -0.43 0.00 -0.04 0.00 0.00 63.50 63.31 1qgh n PRO 88 Cb 0.56 -2.12 -0.06 0.00 -0.04 0.00 0.00 33.50 31.84 1qgh n PRO 88 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1qgh s TYR 89 N -1.33 3.03 0.00 0.54 6.14 -1.26 -4.83 117.35 119.64 1qgh s TYR 89 Ca 0.66 -0.03 0.00 0.00 0.64 0.00 0.00 57.07 58.34 1qgh s TYR 89 Cb -0.51 -3.49 0.00 0.00 0.42 0.00 0.00 41.96 38.38 1qgh s TYR 89 CO 0.55 -0.94 0.00 0.25 0.64 0.00 0.00 175.55 176.05 1qgh n THR 90 N 5.94 0.00 -1.94 4.34 -2.24 -1.26 -5.03 114.28 114.08 1qgh n THR 90 Ca -0.01 0.20 -0.34 0.00 -2.27 0.00 0.00 64.05 61.64 1qgh n THR 90 Cb 0.48 -1.18 0.03 0.00 -2.10 0.00 0.00 70.33 67.56 1qgh n THR 90 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1qgh s LYS 91 N -0.93 3.02 -0.06 -0.78 2.36 -1.26 -4.98 119.74 117.11 1qgh s LYS 91 Ca 0.00 1.45 -0.30 0.00 -2.55 0.00 0.00 55.97 54.57 1qgh s LYS 91 Cb 0.00 -1.97 -0.03 0.00 -1.05 0.00 0.00 37.83 34.78 1qgh s LYS 91 CO 0.00 -1.09 1.09 -2.14 1.55 0.00 0.00 175.35 174.77 1qgh s PRO 92 N -3.83 4.42 0.08 4.03 0.02 -1.26 -5.04 135.00 133.42 1qgh s PRO 92 Ca 0.69 1.54 0.05 0.00 0.02 0.00 0.00 61.00 63.29 1qgh s PRO 92 Cb -0.21 -3.52 -0.04 0.00 0.02 0.00 0.00 34.50 30.75 1qgh s PRO 92 CO 0.36 -0.32 -0.01 0.15 -0.33 0.00 0.00 177.00 176.86 1qgh s LYS 93 N 1.86 2.55 0.46 5.54 1.02 -1.26 -5.12 119.74 124.78 1qgh s LYS 93 Ca 0.53 -0.82 -0.22 0.00 0.02 0.00 0.00 55.97 55.47 1qgh s LYS 93 Cb -0.22 -2.54 -0.08 0.00 -0.52 0.00 0.00 37.83 34.47 1qgh s LYS 93 CO 0.22 0.55 1.10 0.99 -0.92 0.00 0.00 175.35 177.28 1qgh s THR 94 N -1.28 3.46 0.19 2.17 2.01 -1.26 -4.84 115.64 116.09 1qgh s THR 94 Ca 0.25 1.03 -0.12 0.00 0.31 0.00 0.00 61.69 63.16 1qgh s THR 94 Cb -0.12 -3.49 0.10 0.00 0.01 0.00 0.00 72.50 69.00 1qgh s THR 94 CO 0.17 -0.08 1.75 -0.03 -0.69 0.00 0.00 174.62 175.75 1qgh h MET 95 N 1.97 0.36 -0.53 4.92 4.05 -1.99 0.79 114.93 124.51 1qgh h MET 95 Ca -0.49 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 58.92 1qgh h MET 95 Cb 1.23 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.92 1qgh h MET 95 CO 0.60 0.24 0.34 -0.44 0.23 0.00 0.00 176.91 177.88 1qgh h ASP 96 N 0.37 0.56 -0.75 1.39 5.19 -1.95 0.82 116.42 122.05 1qgh h ASP 96 Ca 0.24 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.68 1qgh h ASP 96 Cb 0.26 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 39.59 1qgh h ASP 96 CO -0.24 0.40 0.48 1.56 -3.12 0.00 0.00 179.24 178.32 1qgh h GLN 97 N 0.68 0.91 -0.20 3.56 4.20 -1.22 0.45 115.11 123.48 1qgh h GLN 97 Ca 0.20 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1qgh h GLN 97 Cb -0.03 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 1qgh h GLN 97 CO -0.07 0.60 0.03 -0.07 -0.67 0.00 0.00 178.83 178.66 1qgh h LEU 98 N 0.94 0.32 -0.84 1.46 3.38 0.19 -1.41 115.31 119.35 1qgh h LEU 98 Ca 0.30 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1qgh h LEU 98 Cb 0.00 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1qgh h LEU 98 CO -0.11 0.50 0.55 0.24 0.09 0.00 0.00 178.44 179.71 1qgh h MET 99 N 0.13 1.07 -0.75 1.13 2.86 0.12 -0.19 114.93 119.30 1qgh h MET 99 Ca 0.06 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1qgh h MET 99 Cb 0.31 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1qgh h MET 99 CO 0.00 0.71 0.49 0.93 1.06 0.00 0.00 176.91 180.10 1qgh h GLU 100 N 1.10 0.87 -0.41 1.72 5.08 0.24 0.61 114.58 123.79 1qgh h GLU 100 Ca 0.32 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.49 1qgh h GLU 100 Cb -0.06 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1qgh h GLU 100 CO -0.09 0.58 -0.28 0.22 -1.00 0.00 0.00 179.01 178.44 1qgh h ASP 101 N 0.90 0.95 -0.00 1.42 3.58 -0.05 -0.45 116.42 122.77 1qgh h ASP 101 Ca 0.30 -0.43 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 1qgh h ASP 101 Cb 0.08 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 1qgh h ASP 101 CO -0.09 1.18 0.00 0.25 -2.88 0.00 0.00 179.24 177.70 1qgh h LEU 102 N 0.73 0.00 -1.33 2.28 6.46 0.79 -1.83 115.31 122.40 1qgh h LEU 102 Ca 0.08 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1qgh h LEU 102 Cb 0.86 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.76 1qgh h LEU 102 CO 0.08 0.11 0.40 0.58 -0.62 0.00 0.00 178.44 178.99 1qgh h VAL 103 N -0.11 1.17 -0.61 1.05 2.07 0.23 0.22 116.25 120.28 1qgh h VAL 103 Ca 0.00 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1qgh h VAL 103 Cb 0.11 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1qgh h VAL 103 CO -0.00 0.17 0.26 1.23 0.02 0.00 0.00 177.57 179.25 1qgh h GLY 104 N 0.89 0.97 1.85 2.17 0.00 -0.82 0.27 103.07 108.40 1qgh h GLY 104 Ca 0.23 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1qgh h GLY 104 CO -0.05 0.49 -0.42 -0.84 0.00 0.00 0.00 176.54 175.72 1qgh h THR 105 N 0.85 1.31 -0.29 4.70 2.02 -0.30 -0.46 112.91 120.74 1qgh h THR 105 Ca 0.21 -1.52 -0.11 0.00 0.77 0.00 0.00 66.41 65.75 1qgh h THR 105 Cb 0.18 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1qgh h THR 105 CO -0.02 0.45 -0.27 -0.07 0.37 0.00 0.00 175.52 175.98 1qgh h LEU 106 N 0.14 0.73 -1.09 2.58 3.38 -0.51 -0.53 115.31 120.02 1qgh h LEU 106 Ca 0.01 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1qgh h LEU 106 Cb 0.81 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1qgh h LEU 106 CO 0.06 1.05 0.44 -0.33 0.09 0.00 0.00 178.44 179.74 1qgh h GLU 107 N 0.43 1.07 -0.49 1.13 5.08 0.07 0.74 114.58 122.61 1qgh h GLU 107 Ca 0.05 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1qgh h GLU 107 Cb 0.83 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1qgh h GLU 107 CO 0.07 0.78 0.25 1.25 -1.00 0.00 0.00 179.01 180.36 1qgh h LEU 108 N 1.08 0.37 -0.78 1.33 6.46 -0.67 0.40 115.31 123.51 1qgh h LEU 108 Ca 0.28 0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.98 1qgh h LEU 108 Cb 0.01 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 1qgh h LEU 108 CO -0.05 0.26 0.02 -0.07 -0.62 0.00 0.00 178.44 177.98 1qgh h LEU 109 N 0.50 0.92 0.33 2.25 3.38 -0.26 -0.00 115.31 122.42 1qgh h LEU 109 Ca 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1qgh h LEU 109 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1qgh h LEU 109 CO -0.14 0.96 -0.26 -0.09 0.09 0.00 0.00 178.44 179.01 1qgh h ARG 110 N 0.88 -0.57 -0.57 1.13 2.43 0.06 0.41 114.38 118.15 1qgh h ARG 110 Ca 0.17 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1qgh h ARG 110 Cb 0.49 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 1qgh h ARG 110 CO 0.02 -0.38 0.31 -0.44 -1.51 0.00 0.00 179.97 177.97 1qgh h ASP 111 N -0.59 0.69 0.35 -3.80 3.32 -0.69 -0.61 116.42 115.09 1qgh h ASP 111 Ca -0.02 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 56.79 1qgh h ASP 111 Cb 0.52 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1qgh h ASP 111 CO -0.01 0.56 -0.78 -0.33 -1.72 0.00 0.00 179.24 176.95 1qgh h GLU 112 N 0.79 0.34 -0.67 3.56 5.08 -0.33 -2.86 114.58 120.48 1qgh h GLU 112 Ca 0.20 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1qgh h GLU 112 Cb 0.02 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1qgh h GLU 112 CO -0.03 0.97 0.19 1.88 -1.00 0.00 0.00 179.01 181.01 1qgh h TYR 113 N 0.22 1.07 -0.93 4.33 -1.99 0.90 -0.99 116.97 119.57 1qgh h TYR 113 Ca -0.04 -0.11 0.13 0.00 2.00 0.00 0.00 58.73 60.71 1qgh h TYR 113 Cb 1.37 -0.31 -0.08 0.00 2.00 0.00 0.00 36.73 39.72 1qgh h TYR 113 CO 0.04 0.86 0.59 -0.22 -0.00 0.00 0.00 178.16 179.44 1qgh h LYS 114 N 1.00 0.80 -0.16 4.88 1.63 -0.94 1.34 116.57 125.12 1qgh h LYS 114 Ca 0.22 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 1qgh h LYS 114 Cb 0.31 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1qgh h LYS 114 CO -0.00 0.53 -0.07 1.96 -3.45 0.00 0.00 179.45 178.42 1qgh h GLN 115 N 0.82 0.33 -0.21 1.90 1.08 -1.10 -1.81 115.11 116.13 1qgh h GLN 115 Ca 0.46 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.50 1qgh h GLN 115 Cb 0.60 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1qgh h GLN 115 CO -0.23 0.64 0.02 0.78 -0.95 0.00 0.00 178.83 179.09 1qgh h GLY 116 N 0.01 0.32 0.91 3.46 0.00 0.54 0.42 103.07 108.73 1qgh h GLY 116 Ca 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1qgh h GLY 116 CO 0.02 0.15 0.01 -2.22 0.00 0.00 0.00 176.54 174.50 1qgh h ILE 117 N 0.29 1.07 -0.46 2.60 2.04 0.24 0.74 117.51 124.04 1qgh h ILE 117 Ca 0.07 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 1qgh h ILE 117 Cb 0.16 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1qgh h ILE 117 CO 0.00 0.06 -0.06 -0.33 0.00 0.00 0.00 178.15 177.82 1qgh h GLU 118 N -0.06 0.81 0.13 2.37 5.08 -0.71 -1.92 114.58 120.28 1qgh h GLU 118 Ca 0.01 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1qgh h GLU 118 Cb 0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1qgh h GLU 118 CO -0.00 0.85 -0.10 1.25 -1.00 0.00 0.00 179.01 180.01 1qgh h LEU 119 N 0.74 -0.25 -1.58 1.33 5.85 0.32 -2.00 115.31 119.71 1qgh h LEU 119 Ca 0.13 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1qgh h LEU 119 Cb 0.54 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1qgh h LEU 119 CO 0.03 -0.16 -0.13 0.00 -0.34 0.00 0.00 178.44 177.84 1qgh h THR 120 N -0.24 0.41 -0.01 1.05 1.03 -0.64 -2.57 112.91 111.94 1qgh h THR 120 Ca -0.01 -0.72 -0.02 0.00 -0.01 0.00 0.00 66.41 65.65 1qgh h THR 120 Cb 0.21 1.52 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 1qgh h THR 120 CO -0.01 0.13 -0.06 -0.78 -0.01 0.00 0.00 175.52 174.79 1qgh h ASP 121 N 0.00 0.07 0.03 0.00 3.58 -0.84 0.29 116.42 119.55 1qgh h ASP 121 Ca -0.00 -0.68 -0.09 0.00 0.42 0.00 0.00 57.03 56.68 1qgh h ASP 121 Cb 0.51 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1qgh h ASP 121 CO 0.02 0.74 -0.27 0.11 -2.88 0.00 0.00 179.24 176.96 1qgh h LYS 122 N -0.59 0.38 0.00 0.28 1.57 -1.34 -1.36 116.57 115.51 1qgh h LYS 122 Ca -0.00 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1qgh h LYS 122 Cb 0.74 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1qgh h LYS 122 CO 0.01 0.63 -0.05 0.93 -0.57 0.00 0.00 179.45 180.40 1qgh h GLU 123 N 0.34 0.00 -2.06 3.15 5.08 -1.48 -3.48 114.58 116.14 1qgh h GLU 123 Ca 0.05 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1qgh h GLU 123 Cb 0.66 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.94 1qgh h GLU 123 CO 0.05 0.05 -0.20 0.41 -1.00 0.00 0.00 179.01 178.31 1qgh n GLY 124 N 0.60 0.36 3.33 -3.84 0.00 0.69 -4.98 105.19 101.35 1qgh n GLY 124 Ca 0.02 -0.45 -0.47 0.00 0.00 0.00 0.00 46.02 45.12 1qgh n GLY 124 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qgh s ASP 125 N -2.98 6.63 0.17 1.61 -1.08 0.70 -4.90 116.67 116.82 1qgh s ASP 125 Ca 0.13 -2.47 -0.09 0.00 -0.52 0.00 0.00 52.55 49.60 1qgh s ASP 125 Cb -0.06 -2.21 0.05 0.00 -1.46 0.00 0.00 42.92 39.24 1qgh s ASP 125 CO 0.16 -0.65 1.61 0.44 0.52 0.00 0.00 175.17 177.25 1qgh h ASP 126 N 8.06 1.05 0.42 -0.34 3.32 -1.94 -1.51 116.42 125.47 1qgh h ASP 126 Ca 0.01 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 1qgh h ASP 126 Cb 1.05 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 1qgh h ASP 126 CO 0.83 1.14 -0.25 0.58 -1.72 0.00 0.00 179.24 179.82 1qgh h VAL 127 N 0.93 0.49 -0.55 -1.35 2.07 -1.96 -0.68 116.25 115.20 1qgh h VAL 127 Ca 0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 1qgh h VAL 127 Cb 0.66 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1qgh h VAL 127 CO 0.05 0.00 0.37 0.74 0.02 0.00 0.00 177.57 178.74 1qgh h THR 128 N -0.63 1.08 -0.20 2.57 2.02 -1.94 -1.63 112.91 114.19 1qgh h THR 128 Ca -0.05 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 66.91 1qgh h THR 128 Cb 0.51 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1qgh h THR 128 CO 0.06 0.12 0.11 -1.13 0.37 0.00 0.00 175.52 175.05 1qgh h ASN 129 N 0.67 0.18 -0.37 4.18 -0.73 -0.60 -1.93 115.58 116.98 1qgh h ASN 129 Ca 0.22 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.31 1qgh h ASN 129 Cb 0.05 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 1qgh h ASN 129 CO -0.06 0.14 -0.05 0.44 -0.37 0.00 0.00 177.43 177.54 1qgh h ASP 130 N 0.24 0.76 0.08 1.15 5.19 -0.25 -2.10 116.42 121.49 1qgh h ASP 130 Ca 0.08 -0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1qgh h ASP 130 Cb -0.00 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.27 1qgh h ASP 130 CO -0.04 0.85 -0.36 0.24 -3.12 0.00 0.00 179.24 176.82 1qgh h MET 131 N 0.72 -0.49 -1.00 3.56 2.86 -0.71 -1.04 114.93 118.82 1qgh h MET 131 Ca 0.13 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.99 1qgh h MET 131 Cb 0.51 0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.17 1qgh h MET 131 CO 0.03 -0.33 0.61 -0.07 1.06 0.00 0.00 176.91 178.21 1qgh h LEU 132 N -0.51 0.79 -0.32 1.22 4.07 -1.31 -0.25 115.31 119.00 1qgh h LEU 132 Ca -0.00 0.10 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1qgh h LEU 132 Cb 0.51 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 1qgh h LEU 132 CO -0.19 0.28 0.12 0.40 -1.08 0.00 0.00 178.44 177.97 1qgh h ILE 133 N 0.77 1.19 -0.31 1.22 2.04 -0.69 0.15 117.51 121.88 1qgh h ILE 133 Ca 0.58 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1qgh h ILE 133 Cb 0.88 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1qgh h ILE 133 CO -0.38 0.21 0.07 0.00 0.00 0.00 0.00 178.15 178.05 1qgh h ALA 134 N 0.96 0.41 -0.86 1.87 0.00 0.10 0.63 119.26 122.37 1qgh h ALA 134 Ca 0.11 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1qgh h ALA 134 Cb 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1qgh h ALA 134 CO -0.01 0.08 0.56 0.74 0.00 0.00 0.00 179.25 180.62 1qgh h PHE 135 N 0.34 1.05 -0.76 0.00 0.04 -0.85 -2.08 116.94 114.68 1qgh h PHE 135 Ca 0.10 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.98 1qgh h PHE 135 Cb 0.30 -0.35 -0.07 0.00 2.20 0.00 0.00 35.95 38.03 1qgh h PHE 135 CO 0.02 0.62 0.42 -0.22 -0.60 0.00 0.00 178.31 178.54 1qgh h LYS 136 N 1.10 0.69 -0.50 1.51 3.64 0.18 -0.61 116.57 122.58 1qgh h LYS 136 Ca 0.34 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.77 1qgh h LYS 136 Cb -0.03 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 31.56 1qgh h LYS 136 CO -0.11 0.46 0.07 0.00 -2.27 0.00 0.00 179.45 177.60 1qgh h ALA 137 N 1.43 0.54 -0.28 5.00 0.00 -0.20 -0.53 119.26 125.22 1qgh h ALA 137 Ca 0.37 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 1qgh h ALA 137 Cb 0.33 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1qgh h ALA 137 CO -0.24 -0.34 0.05 1.03 0.00 0.00 0.00 179.25 179.76 1qgh h SER 138 N 0.20 0.43 -0.62 0.00 0.87 -0.98 -2.72 113.55 110.73 1qgh h SER 138 Ca 0.25 -0.25 0.10 0.00 -1.23 0.00 0.00 61.79 60.67 1qgh h SER 138 Cb 0.36 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 62.13 1qgh h SER 138 CO -0.36 0.57 0.20 0.40 -0.53 0.00 0.00 176.83 177.11 1qgh h ILE 139 N 0.28 0.71 -0.63 2.23 2.04 -0.53 0.81 117.51 122.42 1qgh h ILE 139 Ca 0.09 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1qgh h ILE 139 Cb 0.31 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1qgh h ILE 139 CO 0.00 0.06 0.41 0.44 0.00 0.00 0.00 178.15 179.07 1qgh h ASP 140 N 0.36 0.67 -0.12 1.72 3.32 -1.00 0.52 116.42 121.89 1qgh h ASP 140 Ca 0.32 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.22 1qgh h ASP 140 Cb 0.43 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.83 1qgh h ASP 140 CO -0.35 0.47 -0.47 0.50 -1.72 0.00 0.00 179.24 177.67 1qgh h LYS 141 N 0.79 0.52 -0.47 3.56 3.64 -0.88 -1.47 116.57 122.25 1qgh h LYS 141 Ca 0.24 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1qgh h LYS 141 Cb 0.01 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1qgh h LYS 141 CO -0.06 1.03 0.31 0.45 -2.27 0.00 0.00 179.45 178.91 1qgh h HIS 142 N 0.13 0.60 -1.00 1.91 3.86 0.08 -0.42 115.15 120.32 1qgh h HIS 142 Ca -0.03 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.25 1qgh h HIS 142 Cb 1.11 -0.20 -0.07 0.00 1.06 0.00 0.00 27.41 29.31 1qgh h HIS 142 CO 0.11 0.39 0.64 0.82 0.86 0.00 0.00 177.93 180.75 1qgh h ILE 143 N 0.64 1.10 -0.49 2.45 2.04 0.10 0.16 117.51 123.51 1qgh h ILE 143 Ca 0.17 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1qgh h ILE 143 Cb -0.06 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.81 1qgh h ILE 143 CO -0.04 0.22 0.27 -0.25 0.00 0.00 0.00 178.15 178.35 1qgh h TRP 144 N 1.19 0.67 0.08 1.37 7.01 -0.22 -1.99 115.95 124.06 1qgh h TRP 144 Ca 0.42 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.40 1qgh h TRP 144 Cb 0.13 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1qgh h TRP 144 CO -0.00 0.50 -0.04 0.52 -2.79 0.00 0.00 178.44 176.63 1qgh h MET 145 N 0.65 -0.10 -0.20 2.65 2.86 0.09 -0.30 114.93 120.59 1qgh h MET 145 Ca 0.17 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1qgh h MET 145 Cb 0.05 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1qgh h MET 145 CO -0.03 0.20 0.00 0.74 1.06 0.00 0.00 176.91 178.89 1qgh h PHE 146 N -0.41 0.28 -0.44 -0.22 0.04 -0.75 0.49 116.94 115.93 1qgh h PHE 146 Ca -0.01 -0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.60 1qgh h PHE 146 Cb 0.35 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1qgh h PHE 146 CO 0.03 0.29 -0.29 0.87 -0.60 0.00 0.00 178.31 178.61 1qgh h LYS 147 N 0.28 0.98 -0.35 1.51 1.57 -1.15 -1.14 116.57 118.27 1qgh h LYS 147 Ca 0.07 -0.46 -0.06 0.00 -1.87 0.00 0.00 60.65 58.33 1qgh h LYS 147 Cb 0.19 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1qgh h LYS 147 CO 0.00 1.13 -0.02 0.00 -0.57 0.00 0.00 179.45 179.99 1qgh h ALA 148 N 0.83 1.30 -0.76 3.86 0.00 -0.18 0.26 119.26 124.56 1qgh h ALA 148 Ca 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qgh h ALA 148 Cb 0.88 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1qgh h ALA 148 CO 0.08 0.47 0.46 0.35 0.00 0.00 0.00 179.25 180.61 1qgh h PHE 149 N 0.53 1.01 0.00 0.00 3.57 -0.22 0.03 116.94 121.86 1qgh h PHE 149 Ca 0.11 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1qgh h PHE 149 Cb 0.38 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1qgh h PHE 149 CO 0.01 0.68 0.00 1.28 -2.23 0.00 0.00 178.31 178.05 1qgh n LEU 150 N -4.49 0.00 -0.05 0.59 4.77 -0.50 -4.87 117.00 112.45 1qgh n LEU 150 Ca 0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 1qgh n LEU 150 Cb 0.06 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1qgh n LEU 150 CO 0.37 0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 177.03 1qgh n GLY 151 N 0.51 0.47 3.80 -0.72 0.00 -0.00 -5.03 105.19 104.21 1qgh n GLY 151 Ca 0.13 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 1qgh n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qgh s LYS 152 N -0.70 2.64 0.43 1.61 -0.14 0.80 -4.97 119.74 119.41 1qgh s LYS 152 Ca 0.00 -1.32 -0.14 0.00 -1.36 0.00 0.00 55.97 53.15 1qgh s LYS 152 Cb 0.00 -2.39 -0.08 0.00 -1.68 0.00 0.00 37.83 33.68 1qgh s LYS 152 CO 0.00 0.18 0.85 0.00 -0.76 0.00 0.00 175.35 175.62 1qgh s ALA 153 N -2.30 3.23 0.13 5.17 0.00 -1.26 -3.29 121.76 123.43 1qgh s ALA 153 Ca 0.38 0.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.12 1qgh s ALA 153 Cb -0.05 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 1qgh s ALA 153 CO 0.25 -0.00 1.65 -1.35 0.00 0.00 0.00 175.76 176.30 1qgh h PRO 154 N 1.40 -0.27 -0.98 0.00 0.11 -1.88 -2.20 132.00 128.18 1qgh h PRO 154 Ca -0.47 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1qgh h PRO 154 Cb 1.18 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1qgh h PRO 154 CO 0.63 -0.18 0.07 1.28 -0.21 0.00 0.00 178.00 179.59 1qgh n LEU 155 N -5.34 3.01 0.00 2.35 4.77 -1.26 -4.87 117.00 115.65 1qgh n LEU 155 Ca -0.03 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 1qgh n LEU 155 Cb 0.26 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1qgh n LEU 155 CO 0.20 0.50 0.00 -0.62 -1.33 0.00 0.00 177.39 176.14