#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 0.21 0.11 4.52 -4.77 -1.26 -5.06 116.67 110.42 1qgh s ASP 8 Ca 0.00 -0.98 -0.27 0.00 -3.30 0.00 0.00 52.55 48.00 1qgh s ASP 8 Cb 0.00 0.34 -0.08 0.00 -1.09 0.00 0.00 42.92 42.09 1qgh s ASP 8 CO 0.00 -0.77 1.64 0.74 0.70 0.00 0.00 175.17 177.48 1qgh h THR 9 N 2.77 0.43 -0.59 2.11 2.02 -1.98 0.22 112.91 117.88 1qgh h THR 9 Ca -0.34 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.97 1qgh h THR 9 Cb 1.20 0.43 -0.10 0.00 -1.74 0.00 0.00 68.15 67.94 1qgh h THR 9 CO 0.56 0.00 -0.06 0.11 0.37 0.00 0.00 175.52 176.50 1qgh h LYS 10 N -0.46 0.07 -0.28 6.66 1.57 -1.97 0.46 116.57 122.61 1qgh h LYS 10 Ca 0.03 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1qgh h LYS 10 Cb 0.49 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1qgh h LYS 10 CO -0.16 0.04 -0.11 0.93 -0.57 0.00 0.00 179.45 179.58 1qgh h GLU 11 N 0.07 0.47 -0.23 3.15 3.07 -1.79 -0.85 114.58 118.47 1qgh h GLU 11 Ca 0.30 -0.13 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 1qgh h GLU 11 Cb 0.47 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1qgh h GLU 11 CO -0.54 0.59 -0.09 0.35 -1.40 0.00 0.00 179.01 177.91 1qgh h PHE 12 N 0.44 0.53 -0.15 4.33 3.57 0.30 -2.15 116.94 123.80 1qgh h PHE 12 Ca 0.08 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1qgh h PHE 12 Cb 0.47 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1qgh h PHE 12 CO 0.01 0.73 0.06 -0.07 -2.23 0.00 0.00 178.31 176.81 1qgh h LEU 13 N 0.18 0.08 -1.63 0.59 4.07 0.03 -1.66 115.31 116.96 1qgh h LEU 13 Ca 0.05 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1qgh h LEU 13 Cb 0.58 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 1qgh h LEU 13 CO 0.03 0.07 0.23 -1.13 -1.08 0.00 0.00 178.44 176.55 1qgh h ASN 14 N 0.14 0.41 -0.71 -0.43 -1.24 -1.16 0.77 115.58 113.36 1qgh h ASN 14 Ca 0.06 -0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.00 1qgh h ASN 14 Cb 0.03 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 1qgh h ASN 14 CO -0.06 0.31 0.20 -0.74 -1.29 0.00 0.00 177.43 175.85 1qgh h HIS 15 N 0.48 1.16 -0.29 0.67 2.76 -0.81 -1.75 115.15 117.36 1qgh h HIS 15 Ca 0.13 -0.13 -0.08 0.00 -2.20 0.00 0.00 60.37 58.10 1qgh h HIS 15 Cb -0.04 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.57 1qgh h HIS 15 CO 0.00 0.93 -0.14 1.96 -1.30 0.00 0.00 177.93 179.38 1qgh h GLN 16 N 1.05 0.50 -0.25 5.26 1.08 0.01 0.12 115.11 122.89 1qgh h GLN 16 Ca 0.22 -0.15 0.04 0.00 -1.45 0.00 0.00 58.65 57.31 1qgh h GLN 16 Cb 0.34 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 1qgh h GLN 16 CO -0.00 0.64 0.02 0.28 -0.95 0.00 0.00 178.83 178.81 1qgh h VAL 17 N 0.46 0.85 -0.33 -0.54 2.07 -0.35 0.30 116.25 118.72 1qgh h VAL 17 Ca 0.08 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1qgh h VAL 17 Cb 0.52 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1qgh h VAL 17 CO 0.03 0.02 0.18 0.00 0.02 0.00 0.00 177.57 177.82 1qgh h ALA 18 N 1.20 0.42 -0.18 1.67 0.00 -0.87 -2.09 119.26 119.42 1qgh h ALA 18 Ca 0.12 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1qgh h ALA 18 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1qgh h ALA 18 CO -0.18 -0.05 0.07 -0.91 0.00 0.00 0.00 179.25 178.18 1qgh h ASN 19 N 0.41 0.09 -0.95 0.00 2.35 0.14 -2.66 115.58 114.96 1qgh h ASN 19 Ca 0.12 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.93 1qgh h ASN 19 Cb 0.07 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.38 1qgh h ASN 19 CO -0.02 0.08 0.62 -0.07 -1.65 0.00 0.00 177.43 176.39 1qgh h LEU 20 N 0.16 0.99 -1.04 1.61 4.07 -0.34 0.77 115.31 121.53 1qgh h LEU 20 Ca 0.07 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 1qgh h LEU 20 Cb 0.04 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 1qgh h LEU 20 CO -0.07 0.65 -0.10 0.78 -1.08 0.00 0.00 178.44 178.63 1qgh h ASN 21 N 1.14 0.55 -0.15 -0.43 2.35 -1.09 -0.72 115.58 117.23 1qgh h ASN 21 Ca 0.40 -0.14 -0.14 0.00 -0.55 0.00 0.00 56.30 55.87 1qgh h ASN 21 Cb 0.12 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1qgh h ASN 21 CO -0.14 0.69 -0.44 0.58 -1.65 0.00 0.00 177.43 176.47 1qgh h VAL 22 N 0.53 1.35 -1.00 2.81 2.07 -1.01 -3.03 116.25 117.96 1qgh h VAL 22 Ca 0.10 -1.72 0.04 0.00 0.82 0.00 0.00 66.70 65.94 1qgh h VAL 22 Cb 0.49 2.03 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 1qgh h VAL 22 CO 0.03 0.52 0.66 0.15 0.02 0.00 0.00 177.57 178.95 1qgh h PHE 23 N 0.20 1.23 -0.59 1.57 3.57 -0.52 -0.70 116.94 121.70 1qgh h PHE 23 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1qgh h PHE 23 Cb 1.06 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1qgh h PHE 23 CO 0.10 0.71 0.18 0.00 -2.23 0.00 0.00 178.31 177.07 1qgh h THR 24 N 1.27 1.24 -0.35 4.41 1.03 -1.18 0.17 112.91 119.50 1qgh h THR 24 Ca 0.40 -0.83 -0.10 0.00 -0.01 0.00 0.00 66.41 65.87 1qgh h THR 24 Cb -0.00 0.66 -0.01 0.00 -1.07 0.00 0.00 68.15 67.73 1qgh h THR 24 CO -0.12 0.31 -0.21 0.58 -0.01 0.00 0.00 175.52 176.07 1qgh h VAL 25 N 0.84 1.27 -0.54 0.00 2.07 -1.29 -2.09 116.25 116.51 1qgh h VAL 25 Ca 0.19 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 1qgh h VAL 25 Cb 0.29 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1qgh h VAL 25 CO -0.01 0.42 0.13 0.50 0.02 0.00 0.00 177.57 178.64 1qgh h LYS 26 N 0.60 0.82 -0.67 1.57 3.64 -0.28 -0.69 116.57 121.55 1qgh h LYS 26 Ca 0.09 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1qgh h LYS 26 Cb 0.68 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1qgh h LYS 26 CO 0.05 0.74 0.22 0.82 -2.27 0.00 0.00 179.45 179.01 1qgh h ILE 27 N 0.79 1.24 -0.49 2.00 2.04 -0.17 -1.71 117.51 121.22 1qgh h ILE 27 Ca 0.17 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 1qgh h ILE 27 Cb 0.29 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1qgh h ILE 27 CO -0.00 0.33 0.20 0.45 0.00 0.00 0.00 178.15 179.13 1qgh h HIS 28 N 0.99 0.74 -0.58 1.37 3.86 -0.69 -1.10 115.15 119.74 1qgh h HIS 28 Ca 0.22 -0.05 0.08 0.00 -1.16 0.00 0.00 60.37 59.46 1qgh h HIS 28 Cb 0.27 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 28.45 1qgh h HIS 28 CO 0.02 0.61 0.23 0.37 0.86 0.00 0.00 177.93 180.03 1qgh h GLN 29 N 0.65 0.42 -0.42 2.45 4.15 -0.60 0.15 115.11 121.91 1qgh h GLN 29 Ca 0.16 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 1qgh h GLN 29 Cb 0.18 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1qgh h GLN 29 CO -0.01 0.28 0.19 0.82 -1.93 0.00 0.00 178.83 178.17 1qgh h ILE 30 N 0.43 1.18 -0.84 2.39 2.04 -1.02 0.04 117.51 121.73 1qgh h ILE 30 Ca 0.28 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1qgh h ILE 30 Cb 0.31 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1qgh h ILE 30 CO -0.27 0.20 0.56 -0.74 0.00 0.00 0.00 178.15 177.90 1qgh h HIS 31 N 0.53 1.02 0.20 1.37 2.76 -0.59 -0.99 115.15 119.46 1qgh h HIS 31 Ca 0.14 0.02 -0.34 0.00 -2.20 0.00 0.00 60.37 58.00 1qgh h HIS 31 Cb 0.14 -0.34 0.02 0.00 1.55 0.00 0.00 27.41 28.78 1qgh h HIS 31 CO -0.01 0.61 -1.63 -1.49 -1.30 0.00 0.00 177.93 174.11 1qgh h TRP 32 N 1.07 0.78 -0.01 5.26 6.55 -0.34 -3.38 115.95 125.88 1qgh h TRP 32 Ca 0.33 -0.57 0.00 0.00 0.95 0.00 0.00 58.89 59.60 1qgh h TRP 32 Cb -0.01 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.25 1qgh h TRP 32 CO -0.00 1.63 -0.59 0.66 -1.05 0.00 0.00 178.44 179.10 1qgh n TYR 33 N -3.67 0.00 -1.93 0.49 4.01 -0.03 -4.98 117.16 111.05 1qgh n TYR 33 Ca -0.22 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.14 1qgh n TYR 33 Cb 1.07 -0.09 0.03 0.00 -0.31 0.00 0.00 39.34 40.04 1qgh n TYR 33 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qgh s MET 34 N -2.76 3.21 0.08 -0.72 0.23 -0.38 -4.95 119.30 114.00 1qgh s MET 34 Ca 0.15 2.05 -0.10 0.00 -1.03 0.00 0.00 55.69 56.76 1qgh s MET 34 Cb 0.18 -2.20 0.00 0.00 -1.53 0.00 0.00 34.83 31.28 1qgh s MET 34 CO 0.68 -1.08 0.22 1.03 -2.03 0.00 0.00 175.02 173.84 1qgh s ARG 35 N -2.97 0.84 0.00 3.16 0.52 -1.26 -5.00 118.95 114.25 1qgh s ARG 35 Ca 0.72 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1qgh s ARG 35 Cb -0.36 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.46 1qgh s ARG 35 CO 0.42 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.87 1qgh n GLY 36 N 0.08 2.82 0.36 -3.53 0.00 -1.26 -4.35 105.19 99.31 1qgh n GLY 36 Ca -0.16 -2.03 0.18 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.28 1.61 3.86 -2.07 0.49 115.15 118.76 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 -3.39 2.07 -0.12 2.45 4.13 -1.26 -4.54 115.26 114.60 1qgh n ASN 38 Ca 0.03 -1.85 -0.05 0.00 1.68 0.00 0.00 54.58 54.39 1qgh n ASN 38 Cb 0.50 -0.19 0.01 0.00 -1.54 0.00 0.00 39.78 38.57 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 2.54 -0.41 0.06 3.10 3.57 -1.20 0.05 116.94 124.64 1qgh h PHE 39 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1qgh h PHE 39 Cb 0.57 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1qgh h PHE 39 CO 0.19 -0.25 -0.05 0.74 -2.23 0.00 0.00 178.31 176.70 1qgh h PHE 40 N -0.09 -0.13 -0.40 0.41 0.04 -1.83 0.38 116.94 115.31 1qgh h PHE 40 Ca 0.20 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 1qgh h PHE 40 Cb 0.39 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 1qgh h PHE 40 CO -0.41 -0.08 0.20 0.00 -0.60 0.00 0.00 178.31 177.42 1qgh h THR 41 N -0.12 1.17 0.00 -1.55 1.03 -1.85 -2.52 112.91 109.06 1qgh h THR 41 Ca 0.00 -0.46 -0.14 0.00 -0.01 0.00 0.00 66.41 65.80 1qgh h THR 41 Cb 0.11 0.74 -0.02 0.00 -1.07 0.00 0.00 68.15 67.91 1qgh h THR 41 CO -0.01 0.18 -0.66 -0.07 -0.01 0.00 0.00 175.52 174.95 1qgh h LEU 42 N 0.51 0.00 -0.42 0.00 4.07 -0.94 -0.84 115.31 117.70 1qgh h LEU 42 Ca 0.14 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.11 1qgh h LEU 42 Cb 0.10 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 1qgh h LEU 42 CO -0.02 0.66 0.26 -0.74 -1.08 0.00 0.00 178.44 177.52 1qgh h HIS 43 N 0.00 0.48 -0.12 1.13 2.76 -0.81 0.63 115.15 119.23 1qgh h HIS 43 Ca -0.01 0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 57.98 1qgh h HIS 43 Cb 1.21 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.02 1qgh h HIS 43 CO 0.00 0.29 -0.73 0.93 -1.30 0.00 0.00 177.93 177.12 1qgh h GLU 44 N 0.52 0.56 -0.97 5.26 5.08 -1.34 -3.05 114.58 120.64 1qgh h GLU 44 Ca 0.16 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1qgh h GLU 44 Cb -0.02 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1qgh h GLU 44 CO -0.06 1.07 0.60 -0.22 -1.00 0.00 0.00 179.01 179.40 1qgh h LYS 45 N 0.39 1.30 0.00 2.33 1.63 -0.69 -0.10 116.57 121.43 1qgh h LYS 45 Ca -0.03 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 1qgh h LYS 45 Cb 1.32 -0.28 -0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1qgh h LYS 45 CO 0.14 0.89 -0.14 0.52 -3.45 0.00 0.00 179.45 177.41 1qgh h MET 46 N 1.33 0.00 -0.39 1.90 2.86 -0.85 -0.52 114.93 119.26 1qgh h MET 46 Ca 0.35 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.88 1qgh h MET 46 Cb -0.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1qgh h MET 46 CO -0.07 0.14 -0.20 -0.44 1.06 0.00 0.00 176.91 177.40 1qgh h ASP 47 N 0.00 0.76 -0.47 1.22 3.32 -0.93 0.16 116.42 120.48 1qgh h ASP 47 Ca -0.00 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 1qgh h ASP 47 Cb 0.26 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1qgh h ASP 47 CO 0.02 0.95 -0.01 0.44 -1.72 0.00 0.00 179.24 178.92 1qgh h ASP 48 N 0.67 0.83 -0.67 6.45 3.32 -0.60 -2.35 116.42 124.06 1qgh h ASP 48 Ca 0.10 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 1qgh h ASP 48 Cb 0.70 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1qgh h ASP 48 CO 0.05 0.94 0.31 -0.07 -1.72 0.00 0.00 179.24 178.76 1qgh h LEU 49 N 0.70 0.89 -0.38 1.55 4.07 -0.70 -1.48 115.31 119.96 1qgh h LEU 49 Ca 0.13 -0.14 0.04 0.00 0.08 0.00 0.00 57.88 57.99 1qgh h LEU 49 Cb 0.52 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.99 1qgh h LEU 49 CO 0.03 0.78 0.16 0.22 -1.08 0.00 0.00 178.44 178.55 1qgh h TYR 50 N 0.94 0.29 -0.36 1.13 3.20 -0.44 0.10 116.97 121.83 1qgh h TYR 50 Ca 0.23 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 1qgh h TYR 50 Cb 0.14 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1qgh h TYR 50 CO 0.01 0.13 -0.10 0.77 -1.64 0.00 0.00 178.16 177.33 1qgh h SER 51 N 0.33 0.71 -0.00 -2.11 0.02 -1.28 -1.23 113.55 109.98 1qgh h SER 51 Ca 0.17 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1qgh h SER 51 Cb 0.12 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1qgh h SER 51 CO -0.15 0.92 0.00 -0.08 -1.14 0.00 0.00 176.83 176.38 1qgh h GLU 52 N 0.49 0.01 -0.07 3.45 4.81 -0.84 -0.90 114.58 121.53 1qgh h GLU 52 Ca 0.09 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1qgh h GLU 52 Cb 0.62 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1qgh h GLU 52 CO 0.04 0.10 -0.30 0.74 -0.73 0.00 0.00 179.01 178.87 1qgh h PHE 53 N -0.09 0.13 -0.15 0.92 -1.00 -0.84 -0.72 116.94 115.19 1qgh h PHE 53 Ca 0.00 -0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.68 1qgh h PHE 53 Cb 0.10 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1qgh h PHE 53 CO -0.04 0.41 -0.24 0.78 -1.61 0.00 0.00 178.31 177.61 1qgh h GLY 54 N 0.99 0.28 1.58 -1.45 0.00 -0.89 0.15 103.07 103.73 1qgh h GLY 54 Ca 0.02 -0.21 -0.25 0.00 0.00 0.00 0.00 47.33 46.89 1qgh h GLY 54 CO 0.04 0.19 -1.09 0.83 0.00 0.00 0.00 176.54 176.51 1qgh h GLU 55 N 0.24 0.35 -0.61 4.80 5.08 -0.16 -2.41 114.58 121.87 1qgh h GLU 55 Ca 0.04 -0.47 0.04 0.00 -1.00 0.00 0.00 59.36 57.98 1qgh h GLU 55 Cb 0.56 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1qgh h GLU 55 CO 0.04 1.16 0.35 1.96 -1.00 0.00 0.00 179.01 181.52 1qgh h GLN 56 N 0.16 0.64 0.11 2.33 4.20 -0.22 -0.36 115.11 121.97 1qgh h GLN 56 Ca -0.11 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.58 1qgh h GLN 56 Cb 1.77 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 29.36 1qgh h GLN 56 CO 0.18 0.42 -0.31 1.98 -0.67 0.00 0.00 178.83 180.44 1qgh h MET 57 N 0.66 -0.50 -0.73 1.46 4.05 -0.66 0.18 114.93 119.38 1qgh h MET 57 Ca 0.26 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.71 1qgh h MET 57 Cb 0.12 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 1qgh h MET 57 CO -0.15 -0.34 0.43 0.22 0.23 0.00 0.00 176.91 177.31 1qgh h ASP 58 N -0.52 0.88 -0.06 1.39 3.58 -1.05 -1.32 116.42 119.30 1qgh h ASP 58 Ca 0.03 -0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 1qgh h ASP 58 Cb 0.56 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1qgh h ASP 58 CO -0.19 0.68 -0.31 -0.33 -2.88 0.00 0.00 179.24 176.22 1qgh h GLU 59 N 1.01 0.53 -0.19 0.28 5.08 -0.37 -0.82 114.58 120.10 1qgh h GLU 59 Ca 0.26 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1qgh h GLU 59 Cb -0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1qgh h GLU 59 CO -0.05 0.78 -0.03 0.28 -1.00 0.00 0.00 179.01 178.99 1qgh h VAL 60 N 0.46 1.28 -0.92 3.13 2.07 -0.06 -1.22 116.25 120.99 1qgh h VAL 60 Ca 0.06 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1qgh h VAL 60 Cb 0.76 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 1qgh h VAL 60 CO 0.06 0.29 0.61 0.00 0.02 0.00 0.00 177.57 178.55 1qgh h ALA 61 N 0.75 1.17 0.00 1.67 0.00 -1.14 0.10 119.26 121.81 1qgh h ALA 61 Ca 0.05 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1qgh h ALA 61 Cb 0.46 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1qgh h ALA 61 CO 0.02 0.56 -0.51 0.93 0.00 0.00 0.00 179.25 180.25 1qgh h GLU 62 N 1.24 0.00 -0.25 0.00 5.08 -1.04 -1.42 114.58 118.19 1qgh h GLU 62 Ca 0.34 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.51 1qgh h GLU 62 Cb -0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1qgh h GLU 62 CO -0.08 0.51 -0.59 -0.09 -1.00 0.00 0.00 179.01 177.75 1qgh h ARG 63 N 0.00 0.83 0.05 2.33 9.65 -0.43 -0.70 114.38 126.11 1qgh h ARG 63 Ca -0.01 -0.56 -0.00 0.00 -1.10 0.00 0.00 59.98 58.32 1qgh h ARG 63 Cb 1.17 0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1qgh h ARG 63 CO 0.07 1.18 -0.03 1.25 2.80 0.00 0.00 179.97 185.24 1qgh h LEU 64 N 0.63 -0.08 -0.45 3.80 5.85 -0.71 -1.55 115.31 122.79 1qgh h LEU 64 Ca 0.00 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1qgh h LEU 64 Cb 1.20 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 1qgh h LEU 64 CO 0.13 -0.05 0.11 0.25 -0.34 0.00 0.00 178.44 178.54 1qgh h LEU 65 N -0.08 0.06 -2.19 2.25 5.85 -1.19 0.56 115.31 120.57 1qgh h LEU 65 Ca -0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1qgh h LEU 65 Cb 0.07 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1qgh h LEU 65 CO -0.00 0.07 -0.03 0.00 -0.34 0.00 0.00 178.44 178.14 1qgh h ALA 66 N 1.32 1.66 -0.59 1.25 0.00 -0.58 -0.25 119.26 122.08 1qgh h ALA 66 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1qgh h ALA 66 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1qgh h ALA 66 CO -0.26 0.04 0.00 0.44 0.00 0.00 0.00 179.25 179.47 1qgh n ILE 67 N -4.09 0.85 -0.12 0.00 -5.35 -0.43 -4.90 119.36 105.33 1qgh n ILE 67 Ca -0.03 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 1qgh n ILE 67 Cb 0.12 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 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 1.41 0.84 2.89 3.28 0.00 -0.11 -5.07 105.19 108.43 1qgh n GLY 68 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.09 -0.43 2.65 -0.02 0.00 0.18 -4.96 105.19 100.53 1qgh n GLY 69 Ca 0.00 -1.85 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 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 -4.35 2.35 0.53 1.61 0.01 -1.26 -4.17 113.70 108.43 1qgh s SER 70 Ca 0.53 -0.75 -0.21 0.00 1.31 0.00 0.00 55.95 56.84 1qgh s SER 70 Cb -0.02 0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.17 1qgh s SER 70 CO 0.36 -0.38 1.20 -2.16 0.41 0.00 0.00 173.24 172.68 1qgh s PRO 71 N 2.21 3.32 0.77 12.44 0.04 -1.26 -4.98 135.00 147.54 1qgh s PRO 71 Ca 0.07 1.84 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 1qgh s PRO 71 Cb -0.16 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.30 1qgh s PRO 71 CO -0.22 -0.93 1.16 -0.06 0.04 0.00 0.00 177.00 176.99 1qgh s PHE 72 N -1.56 2.09 -0.34 0.56 0.08 -1.26 -4.95 117.98 112.60 1qgh s PHE 72 Ca 0.71 1.64 0.13 0.00 0.12 0.00 0.00 56.93 59.54 1qgh s PHE 72 Cb -0.30 -3.34 0.42 0.00 -0.57 0.00 0.00 43.02 39.22 1qgh s PHE 72 CO 0.35 -2.42 1.51 -1.13 -0.10 0.00 0.00 175.22 173.43 1qgh n SER 73 N -3.19 -1.29 -3.67 1.36 3.41 -1.26 -4.96 113.62 104.02 1qgh n SER 73 Ca 0.12 -2.22 -0.15 0.00 -0.26 0.00 0.00 58.87 56.36 1qgh n SER 73 Cb 0.51 0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 65.02 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 -0.12 0.04 0.38 6.66 -4.23 -1.26 -5.03 115.64 112.08 1qgh s THR 74 Ca 0.11 -0.29 0.05 0.00 -1.18 0.00 0.00 61.69 60.38 1qgh s THR 74 Cb 0.44 -0.76 0.27 0.00 1.34 0.00 0.00 72.50 73.79 1qgh s THR 74 CO -0.12 -0.16 2.03 -0.07 -0.54 0.00 0.00 174.62 175.76 1qgh h LEU 75 N 3.58 0.59 -0.08 4.79 4.07 -1.99 -1.50 115.31 124.77 1qgh h LEU 75 Ca -0.29 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.66 1qgh h LEU 75 Cb 1.16 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.75 1qgh h LEU 75 CO 0.39 0.42 0.05 0.50 -1.08 0.00 0.00 178.44 178.73 1qgh h LYS 76 N 0.69 0.11 -0.22 1.13 3.64 -1.99 0.39 116.57 120.33 1qgh h LYS 76 Ca 0.20 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1qgh h LYS 76 Cb -0.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1qgh h LYS 76 CO -0.05 0.09 -0.03 0.93 -2.27 0.00 0.00 179.45 178.12 1qgh h GLU 77 N 0.10 0.33 0.10 1.90 5.08 -1.79 0.14 114.58 120.44 1qgh h GLU 77 Ca 0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1qgh h GLU 77 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1qgh h GLU 77 CO -0.01 0.39 -0.05 0.74 -1.00 0.00 0.00 179.01 179.08 1qgh h PHE 78 N 0.32 -0.13 -0.85 4.33 0.04 -0.28 -1.20 116.94 119.18 1qgh h PHE 78 Ca 0.07 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.90 1qgh h PHE 78 Cb 0.27 0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.41 1qgh h PHE 78 CO 0.01 0.12 0.55 -0.07 -0.60 0.00 0.00 178.31 178.32 1qgh h LEU 79 N -0.37 0.83 -0.78 1.54 3.38 0.32 -0.25 115.31 119.97 1qgh h LEU 79 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1qgh h LEU 79 Cb 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1qgh h LEU 79 CO 0.02 0.54 -0.17 -0.33 0.09 0.00 0.00 178.44 178.59 1qgh h GLU 80 N 0.94 0.00 0.00 1.13 5.08 -0.35 -3.35 114.58 118.04 1qgh h GLU 80 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1qgh h GLU 80 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1qgh h GLU 80 CO -0.13 0.17 -1.20 0.09 -1.00 0.00 0.00 179.01 176.93 1qgh n ASN 81 N -3.23 1.92 -4.76 1.42 4.13 -0.42 -5.04 115.26 109.28 1qgh n ASN 81 Ca 0.01 -0.22 -0.39 0.00 1.68 0.00 0.00 54.58 55.66 1qgh n ASN 81 Cb 0.47 1.35 0.02 0.00 -1.54 0.00 0.00 39.78 40.08 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 -2.53 3.08 -0.13 5.41 0.00 -0.24 -4.87 121.76 122.48 1qgh s ALA 82 Ca -0.02 1.30 0.20 0.00 0.00 0.00 0.00 51.96 53.45 1qgh s ALA 82 Cb 0.07 -3.53 -0.18 0.00 0.00 0.00 0.00 23.12 19.48 1qgh s ALA 82 CO 0.45 -1.09 0.67 -1.13 0.00 0.00 0.00 175.76 174.66 1qgh n SER 83 N -0.41 0.45 -4.75 0.00 3.41 -1.26 -4.89 113.62 106.18 1qgh n SER 83 Ca 0.07 0.19 -0.41 0.00 -0.26 0.00 0.00 58.87 58.45 1qgh n SER 83 Cb 0.44 0.98 -0.02 0.00 -0.26 0.00 0.00 64.21 65.34 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 -3.20 2.80 0.03 -3.33 1.01 -1.26 -5.00 120.40 111.45 1qgh s VAL 84 Ca -0.05 0.70 -0.05 0.00 0.00 0.00 0.00 61.98 62.58 1qgh s VAL 84 Cb 0.10 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1qgh s VAL 84 CO 0.84 0.12 0.26 -1.61 0.00 0.00 0.00 175.10 174.71 1qgh s GLU 85 N -0.62 3.54 0.14 2.72 0.41 -1.26 -5.00 118.70 118.64 1qgh s GLU 85 Ca 0.56 -0.16 0.04 0.00 -0.41 0.00 0.00 54.97 55.01 1qgh s GLU 85 Cb -0.40 -3.05 -0.04 0.00 -1.78 0.00 0.00 34.13 28.86 1qgh s GLU 85 CO 0.44 0.63 -0.10 -1.83 -0.49 0.00 0.00 175.26 173.91 1qgh s GLU 86 N -1.97 1.01 -0.22 1.61 -1.05 -1.26 -5.03 118.70 111.79 1qgh s GLU 86 Ca 0.30 -1.42 -0.21 0.00 -0.15 0.00 0.00 54.97 53.49 1qgh s GLU 86 Cb -0.13 -0.55 0.06 0.00 -0.44 0.00 0.00 34.13 33.07 1qgh s GLU 86 CO 0.19 0.06 0.60 0.00 0.95 0.00 0.00 175.26 177.05 1qgh s ALA 87 N -3.35 -1.48 0.55 -0.84 0.00 -1.26 -5.14 121.76 110.24 1qgh s ALA 87 Ca 0.15 1.69 -0.22 0.00 0.00 0.00 0.00 51.96 53.59 1qgh s ALA 87 Cb 0.03 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 1qgh s ALA 87 CO -0.00 -0.28 1.37 -0.35 0.00 0.00 0.00 175.76 176.50 1qgh n PRO 88 N 2.78 1.71 -3.02 0.00 -0.04 -1.26 -4.92 135.00 130.25 1qgh n PRO 88 Ca -0.14 0.63 -0.43 0.00 -0.04 0.00 0.00 63.50 63.52 1qgh n PRO 88 Cb 0.56 -2.59 -0.06 0.00 -0.04 0.00 0.00 33.50 31.37 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 -1.28 3.00 -0.00 0.54 6.14 -1.26 -4.82 117.35 119.66 1qgh s TYR 89 Ca 0.72 -0.03 -0.01 0.00 0.64 0.00 0.00 57.07 58.39 1qgh s TYR 89 Cb -0.41 -3.59 -0.00 0.00 0.42 0.00 0.00 41.96 38.37 1qgh s TYR 89 CO 0.49 -1.00 -0.03 0.25 0.64 0.00 0.00 175.55 175.90 1qgh n THR 90 N 5.98 0.24 -2.88 4.34 -2.24 -1.26 -4.99 114.28 113.47 1qgh n THR 90 Ca -0.00 0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.59 1qgh n THR 90 Cb 0.48 -1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 67.34 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 -1.24 4.51 1.05 -0.78 2.20 -1.26 -5.02 119.74 119.21 1qgh s LYS 91 Ca -0.02 1.17 -0.16 0.00 -0.36 0.00 0.00 55.97 56.59 1qgh s LYS 91 Cb 0.00 -3.43 0.08 0.00 -1.51 0.00 0.00 37.83 32.97 1qgh s LYS 91 CO 0.03 0.06 0.18 -2.30 -0.36 0.00 0.00 175.35 172.96 1qgh n PRO 92 N 3.61 -1.09 -3.73 4.03 -0.02 -1.26 -5.01 135.00 131.54 1qgh n PRO 92 Ca 0.02 -0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 61.07 1qgh n PRO 92 Cb 0.51 -1.77 -0.09 0.00 -0.02 0.00 0.00 33.50 32.13 1qgh n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1qgh s LYS 93 N -3.53 0.56 0.85 -0.52 1.02 -1.26 -5.15 119.74 111.71 1qgh s LYS 93 Ca 0.56 0.35 -0.11 0.00 0.02 0.00 0.00 55.97 56.80 1qgh s LYS 93 Cb -0.16 0.27 0.10 0.00 -0.52 0.00 0.00 37.83 37.52 1qgh s LYS 93 CO 0.67 -0.11 1.10 0.99 -0.92 0.00 0.00 175.35 177.08 1qgh s THR 94 N -0.27 2.87 0.17 2.17 2.01 -1.26 -4.76 115.64 116.57 1qgh s THR 94 Ca -0.04 0.28 -0.16 0.00 0.31 0.00 0.00 61.69 62.08 1qgh s THR 94 Cb -0.03 -2.66 0.10 0.00 0.01 0.00 0.00 72.50 69.92 1qgh s THR 94 CO 0.02 -0.37 1.67 -0.03 -0.69 0.00 0.00 174.62 175.22 1qgh h MET 95 N -1.44 0.03 -0.66 4.92 4.05 -1.99 0.32 114.93 120.16 1qgh h MET 95 Ca -0.46 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 58.98 1qgh h MET 95 Cb 1.26 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 32.01 1qgh h MET 95 CO 0.50 0.02 0.42 -0.44 0.23 0.00 0.00 176.91 177.64 1qgh h ASP 96 N 0.03 0.71 -0.82 1.39 5.19 -1.95 0.46 116.42 121.43 1qgh h ASP 96 Ca 0.21 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.58 1qgh h ASP 96 Cb 0.31 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.62 1qgh h ASP 96 CO -0.42 0.51 0.39 1.56 -3.12 0.00 0.00 179.24 178.17 1qgh h GLN 97 N 0.85 1.19 -0.16 3.56 4.20 -1.46 0.49 115.11 123.79 1qgh h GLN 97 Ca 0.25 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1qgh h GLN 97 Cb -0.05 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 1qgh h GLN 97 CO -0.08 0.92 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.92 1qgh h LEU 98 N 1.18 0.28 -0.95 1.46 3.38 0.10 -1.59 115.31 119.17 1qgh h LEU 98 Ca 0.28 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1qgh h LEU 98 Cb 0.12 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1qgh h LEU 98 CO -0.04 0.55 0.49 0.24 0.09 0.00 0.00 178.44 179.77 1qgh h MET 99 N 0.01 1.23 -0.69 1.13 2.86 0.28 -0.30 114.93 119.46 1qgh h MET 99 Ca 0.04 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1qgh h MET 99 Cb 0.41 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1qgh h MET 99 CO 0.01 0.89 0.45 0.93 1.06 0.00 0.00 176.91 180.26 1qgh h GLU 100 N 1.24 0.90 -0.24 1.72 5.08 0.21 0.54 114.58 124.03 1qgh h GLU 100 Ca 0.31 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1qgh h GLU 100 Cb 0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1qgh h GLU 100 CO -0.05 0.60 -0.02 0.22 -1.00 0.00 0.00 179.01 178.76 1qgh h ASP 101 N 0.93 0.44 0.25 1.42 3.58 -0.24 -0.93 116.42 121.87 1qgh h ASP 101 Ca 0.25 -0.34 0.01 0.00 0.42 0.00 0.00 57.03 57.37 1qgh h ASP 101 Cb -0.10 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.80 1qgh h ASP 101 CO -0.05 0.67 -0.31 0.25 -2.88 0.00 0.00 179.24 176.91 1qgh h LEU 102 N 0.20 -0.86 -1.30 2.28 6.46 -0.06 -0.32 115.31 121.71 1qgh h LEU 102 Ca 0.06 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.96 1qgh h LEU 102 Cb 0.46 0.30 -0.05 0.00 -0.73 0.00 0.00 40.66 40.65 1qgh h LEU 102 CO 0.02 -0.43 0.50 0.58 -0.62 0.00 0.00 178.44 178.49 1qgh h VAL 103 N -0.61 1.08 -0.44 1.05 2.07 0.12 0.15 116.25 119.67 1qgh h VAL 103 Ca -0.00 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1qgh h VAL 103 Cb 0.58 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1qgh h VAL 103 CO -0.10 0.16 0.16 1.23 0.02 0.00 0.00 177.57 179.04 1qgh h GLY 104 N 0.89 0.71 1.34 2.17 0.00 -0.55 0.35 103.07 107.98 1qgh h GLY 104 Ca 0.32 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1qgh h GLY 104 CO -0.10 0.38 0.15 -0.84 0.00 0.00 0.00 176.54 176.13 1qgh h THR 105 N 0.56 1.22 -0.53 4.70 2.02 0.24 0.89 112.91 122.01 1qgh h THR 105 Ca 0.14 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 1qgh h THR 105 Cb 0.22 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1qgh h THR 105 CO -0.01 0.29 0.19 -0.07 0.37 0.00 0.00 175.52 176.30 1qgh h LEU 106 N 0.80 0.76 -0.89 2.58 3.38 -0.29 -1.04 115.31 120.61 1qgh h LEU 106 Ca 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1qgh h LEU 106 Cb 0.27 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1qgh h LEU 106 CO -0.00 0.74 0.50 -0.33 0.09 0.00 0.00 178.44 179.43 1qgh h GLU 107 N 0.73 1.24 -0.74 1.13 5.08 0.87 0.24 114.58 123.13 1qgh h GLU 107 Ca 0.17 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1qgh h GLU 107 Cb 0.24 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1qgh h GLU 107 CO -0.01 0.90 0.42 1.25 -1.00 0.00 0.00 179.01 180.57 1qgh h LEU 108 N 1.25 0.91 -0.79 1.33 6.46 -0.09 -0.88 115.31 123.51 1qgh h LEU 108 Ca 0.32 -0.08 -0.10 0.00 -0.12 0.00 0.00 57.88 57.89 1qgh h LEU 108 Cb 0.02 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 1qgh h LEU 108 CO -0.05 0.73 -0.13 -0.07 -0.62 0.00 0.00 178.44 178.30 1qgh h LEU 109 N 1.02 0.77 -0.08 2.25 3.38 -0.61 0.11 115.31 122.15 1qgh h LEU 109 Ca 0.26 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1qgh h LEU 109 Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1qgh h LEU 109 CO -0.04 0.92 -0.07 -0.09 0.09 0.00 0.00 178.44 179.24 1qgh h ARG 110 N 0.70 -0.08 -0.41 1.13 2.43 0.18 0.12 114.38 118.45 1qgh h ARG 110 Ca 0.12 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1qgh h ARG 110 Cb 0.61 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1qgh h ARG 110 CO 0.04 -0.05 0.11 -0.44 -1.51 0.00 0.00 179.97 178.12 1qgh h ASP 111 N -0.08 0.60 -0.67 -3.80 3.32 -0.81 -1.28 116.42 113.70 1qgh h ASP 111 Ca 0.06 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 1qgh h ASP 111 Cb 0.16 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1qgh h ASP 111 CO -0.13 0.66 0.11 -0.33 -1.72 0.00 0.00 179.24 177.84 1qgh h GLU 112 N 0.51 1.11 -0.93 3.56 5.08 -0.55 -2.33 114.58 121.03 1qgh h GLU 112 Ca 0.13 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1qgh h GLU 112 Cb 0.28 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1qgh h GLU 112 CO -0.00 1.01 0.60 1.88 -1.00 0.00 0.00 179.01 181.50 1qgh h TYR 113 N 1.03 1.12 -0.86 4.33 -1.99 -0.54 0.80 116.97 120.87 1qgh h TYR 113 Ca 0.20 0.03 0.13 0.00 2.00 0.00 0.00 58.73 61.09 1qgh h TYR 113 Cb 0.43 -0.37 -0.09 0.00 2.00 0.00 0.00 36.73 38.71 1qgh h TYR 113 CO 0.03 0.63 0.47 -0.22 -0.00 0.00 0.00 178.16 179.07 1qgh h LYS 114 N 1.15 0.69 -0.08 4.88 1.63 -0.72 1.62 116.57 125.74 1qgh h LYS 114 Ca 0.38 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.13 1qgh h LYS 114 Cb 0.04 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1qgh h LYS 114 CO -0.13 0.46 0.05 1.96 -3.45 0.00 0.00 179.45 178.34 1qgh h GLN 115 N 0.72 0.11 -0.51 1.90 1.08 -0.48 -0.75 115.11 117.18 1qgh h GLN 115 Ca 0.45 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 1qgh h GLN 115 Cb 0.54 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 1qgh h GLN 115 CO -0.31 0.13 0.33 0.78 -0.95 0.00 0.00 178.83 178.81 1qgh h GLY 116 N 0.06 0.72 0.98 3.46 0.00 0.85 0.30 103.07 109.44 1qgh h GLY 116 Ca 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1qgh h GLY 116 CO -0.01 0.27 0.23 -2.22 0.00 0.00 0.00 176.54 174.81 1qgh h ILE 117 N 0.69 1.12 0.00 2.60 2.04 0.35 0.10 117.51 124.42 1qgh h ILE 117 Ca 0.19 -0.29 -0.18 0.00 1.00 0.00 0.00 64.86 65.57 1qgh h ILE 117 Cb -0.06 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1qgh h ILE 117 CO -0.04 0.13 -0.84 -0.33 0.00 0.00 0.00 178.15 177.06 1qgh h GLU 118 N 0.49 0.11 0.05 2.37 5.08 -0.23 -2.04 114.58 120.41 1qgh h GLU 118 Ca 0.13 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1qgh h GLU 118 Cb 0.01 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1qgh h GLU 118 CO -0.03 0.89 -0.02 1.25 -1.00 0.00 0.00 179.01 180.10 1qgh h LEU 119 N 0.06 -0.06 -1.34 1.33 5.85 -0.03 0.24 115.31 121.37 1qgh h LEU 119 Ca -0.03 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 1qgh h LEU 119 Cb 1.46 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1qgh h LEU 119 CO 0.12 0.11 -0.29 0.00 -0.34 0.00 0.00 178.44 178.04 1qgh h THR 120 N -0.22 1.23 -0.21 1.05 1.03 -0.81 0.20 112.91 115.17 1qgh h THR 120 Ca -0.01 -1.07 -0.09 0.00 -0.01 0.00 0.00 66.41 65.24 1qgh h THR 120 Cb 0.20 1.53 -0.00 0.00 -1.07 0.00 0.00 68.15 68.80 1qgh h THR 120 CO 0.01 0.31 -0.22 -0.78 -0.01 0.00 0.00 175.52 174.83 1qgh h ASP 121 N 0.05 0.56 -0.69 0.00 1.82 -1.02 -0.71 116.42 116.43 1qgh h ASP 121 Ca 0.01 -0.48 0.11 0.00 -0.39 0.00 0.00 57.03 56.28 1qgh h ASP 121 Cb 0.55 -0.16 -0.08 0.00 0.68 0.00 0.00 39.33 40.32 1qgh h ASP 121 CO 0.04 0.93 0.28 0.11 -1.61 0.00 0.00 179.24 178.99 1qgh h LYS 122 N 0.20 0.45 0.00 0.28 1.57 0.60 -2.48 116.57 117.19 1qgh h LYS 122 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1qgh h LYS 122 Cb 0.77 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1qgh h LYS 122 CO 0.05 0.30 -0.04 0.39 -0.57 0.00 0.00 179.45 179.58 1qgh n GLU 123 N -4.97 0.09 -1.50 3.15 1.02 0.59 -4.93 120.64 114.08 1qgh n GLU 123 Ca 0.12 0.07 -0.02 0.00 -0.02 0.00 0.00 57.16 57.31 1qgh n GLU 123 Cb 0.33 -1.60 -0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1qgh n GLU 123 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qgh n GLY 124 N 1.44 0.41 3.32 0.62 0.00 -0.34 -4.98 105.19 105.66 1qgh n GLY 124 Ca 0.06 -0.92 -0.46 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.95 6.86 0.21 1.61 -1.08 -0.76 -4.85 116.67 115.70 1qgh s ASP 125 Ca 0.00 -2.97 -0.11 0.00 -0.52 0.00 0.00 52.55 48.96 1qgh s ASP 125 Cb 0.00 -2.19 0.16 0.00 -1.46 0.00 0.00 42.92 39.43 1qgh s ASP 125 CO 0.00 -0.48 1.87 0.44 0.52 0.00 0.00 175.17 177.51 1qgh h ASP 126 N 7.42 0.79 0.35 -0.34 3.32 -1.94 -1.51 116.42 124.51 1qgh h ASP 126 Ca 0.13 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1qgh h ASP 126 Cb 0.99 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1qgh h ASP 126 CO 0.82 0.56 -0.17 0.58 -1.72 0.00 0.00 179.24 179.32 1qgh h VAL 127 N 0.93 0.67 -0.37 -1.35 2.07 -1.97 -0.09 116.25 116.14 1qgh h VAL 127 Ca 0.27 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1qgh h VAL 127 Cb -0.06 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1qgh h VAL 127 CO -0.08 0.03 0.19 0.74 0.02 0.00 0.00 177.57 178.47 1qgh h THR 128 N -0.54 1.12 0.10 2.57 2.02 -1.92 -1.85 112.91 114.41 1qgh h THR 128 Ca -0.05 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1qgh h THR 128 Cb 0.41 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1qgh h THR 128 CO 0.08 0.14 -0.05 -1.13 0.37 0.00 0.00 175.52 174.93 1qgh h ASN 129 N 0.51 -0.11 -0.30 4.18 -0.73 -0.78 -1.70 115.58 116.66 1qgh h ASN 129 Ca 0.13 -0.04 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 1qgh h ASN 129 Cb 0.04 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.63 1qgh h ASN 129 CO -0.02 -0.03 0.06 0.44 -0.37 0.00 0.00 177.43 177.51 1qgh h ASP 130 N -0.18 0.54 0.13 1.15 5.19 -0.25 -1.75 116.42 121.25 1qgh h ASP 130 Ca -0.01 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1qgh h ASP 130 Cb 0.14 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1qgh h ASP 130 CO 0.02 0.56 -0.13 0.24 -3.12 0.00 0.00 179.24 176.81 1qgh h MET 131 N 0.56 -0.28 -0.90 3.56 2.86 -0.82 -1.87 114.93 118.04 1qgh h MET 131 Ca 0.13 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1qgh h MET 131 Cb 0.27 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 1qgh h MET 131 CO 0.00 -0.19 0.58 -0.07 1.06 0.00 0.00 176.91 178.30 1qgh h LEU 132 N -0.29 0.98 -0.19 1.22 4.07 -1.09 -0.27 115.31 119.73 1qgh h LEU 132 Ca 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1qgh h LEU 132 Cb 0.28 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1qgh h LEU 132 CO -0.04 0.67 0.12 0.40 -1.08 0.00 0.00 178.44 178.51 1qgh h ILE 133 N 1.14 1.08 -0.81 1.22 2.04 -1.00 0.20 117.51 121.38 1qgh h ILE 133 Ca 0.36 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 66.03 1qgh h ILE 133 Cb -0.01 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1qgh h ILE 133 CO -0.11 0.08 0.54 0.00 0.00 0.00 0.00 178.15 178.65 1qgh h ALA 134 N 1.03 1.04 -0.81 1.87 0.00 -0.85 0.15 119.26 121.68 1qgh h ALA 134 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1qgh h ALA 134 Cb 0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1qgh h ALA 134 CO -0.01 0.42 0.38 0.74 0.00 0.00 0.00 179.25 180.78 1qgh h PHE 135 N 1.09 1.18 -0.77 0.00 0.04 -0.39 -2.70 116.94 115.39 1qgh h PHE 135 Ca 0.30 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 60.97 1qgh h PHE 135 Cb -0.10 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 37.65 1qgh h PHE 135 CO -0.02 0.87 0.34 -0.22 -0.60 0.00 0.00 178.31 178.68 1qgh h LYS 136 N 1.16 1.13 -0.79 1.51 3.64 0.82 -1.34 116.57 122.70 1qgh h LYS 136 Ca 0.28 -0.18 0.12 0.00 -1.27 0.00 0.00 60.65 59.59 1qgh h LYS 136 Cb 0.14 -0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 31.68 1qgh h LYS 136 CO -0.03 0.90 0.40 0.00 -2.27 0.00 0.00 179.45 178.45 1qgh h ALA 137 N 1.18 1.13 -0.19 5.00 0.00 -0.46 -0.46 119.26 125.46 1qgh h ALA 137 Ca 0.26 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1qgh h ALA 137 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1qgh h ALA 137 CO -0.03 -0.05 -0.06 1.03 0.00 0.00 0.00 179.25 180.14 1qgh h SER 138 N 0.63 0.37 -0.60 0.00 0.87 -1.16 -2.76 113.55 110.89 1qgh h SER 138 Ca 0.41 -0.38 0.10 0.00 -1.23 0.00 0.00 61.79 60.68 1qgh h SER 138 Cb 0.50 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.28 1qgh h SER 138 CO -0.31 0.67 0.21 0.40 -0.53 0.00 0.00 176.83 177.27 1qgh h ILE 139 N 0.08 0.75 -0.70 2.23 2.04 -0.62 -0.39 117.51 120.90 1qgh h ILE 139 Ca 0.05 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1qgh h ILE 139 Cb 0.51 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1qgh h ILE 139 CO 0.02 0.07 0.41 0.44 0.00 0.00 0.00 178.15 179.09 1qgh h ASP 140 N 0.38 0.63 -0.43 1.72 3.32 -1.04 0.42 116.42 121.42 1qgh h ASP 140 Ca 0.31 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 1qgh h ASP 140 Cb 0.39 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1qgh h ASP 140 CO -0.32 0.42 -0.12 0.50 -1.72 0.00 0.00 179.24 178.00 1qgh h LYS 141 N 0.77 0.85 -0.59 3.56 3.64 -1.09 -0.60 116.57 123.12 1qgh h LYS 141 Ca 0.30 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1qgh h LYS 141 Cb 0.13 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1qgh h LYS 141 CO -0.16 0.96 0.31 0.45 -2.27 0.00 0.00 179.45 178.75 1qgh h HIS 142 N 0.68 0.82 -0.93 1.91 3.86 -0.26 -1.37 115.15 119.86 1qgh h HIS 142 Ca 0.11 -0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.36 1qgh h HIS 142 Cb 0.66 -0.26 -0.07 0.00 1.06 0.00 0.00 27.41 28.80 1qgh h HIS 142 CO 0.05 0.61 0.58 0.82 0.86 0.00 0.00 177.93 180.85 1qgh h ILE 143 N 0.80 1.05 -0.18 2.45 2.04 0.26 0.20 117.51 124.12 1qgh h ILE 143 Ca 0.21 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1qgh h ILE 143 Cb 0.07 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 1qgh h ILE 143 CO -0.03 0.19 0.11 -0.25 0.00 0.00 0.00 178.15 178.17 1qgh h TRP 144 N 1.05 0.23 -0.43 1.37 7.01 -0.26 -1.94 115.95 122.99 1qgh h TRP 144 Ca 0.41 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.37 1qgh h TRP 144 Cb 0.20 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 1qgh h TRP 144 CO -0.02 0.19 0.12 0.52 -2.79 0.00 0.00 178.44 176.46 1qgh h MET 145 N 0.21 0.67 -0.55 2.65 0.00 -0.56 -0.50 114.93 116.85 1qgh h MET 145 Ca 0.06 -0.15 -0.10 0.00 0.00 0.00 0.00 59.70 59.52 1qgh h MET 145 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 31.60 31.51 1qgh h MET 145 CO -0.01 0.67 -0.04 0.74 0.00 0.00 0.00 176.91 178.27 1qgh h PHE 146 N 0.55 1.06 -0.46 -0.22 0.04 -0.55 -1.46 116.94 115.90 1qgh h PHE 146 Ca 0.14 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1qgh h PHE 146 Cb 0.28 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 1qgh h PHE 146 CO 0.01 0.96 0.25 0.87 -0.60 0.00 0.00 178.31 179.80 1qgh h LYS 147 N 0.89 0.65 -0.98 1.51 1.57 -1.19 -0.86 116.57 118.15 1qgh h LYS 147 Ca 0.15 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1qgh h LYS 147 Cb 0.57 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 1qgh h LYS 147 CO 0.03 0.53 0.65 0.00 -0.57 0.00 0.00 179.45 180.09 1qgh h ALA 148 N 1.09 1.25 -0.81 3.86 0.00 -0.90 0.17 119.26 123.92 1qgh h ALA 148 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qgh h ALA 148 Cb 0.07 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1qgh h ALA 148 CO -0.02 0.62 0.52 0.35 0.00 0.00 0.00 179.25 180.72 1qgh h PHE 149 N 1.32 1.03 0.00 0.00 3.57 -0.37 0.38 116.94 122.87 1qgh h PHE 149 Ca 0.37 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1qgh h PHE 149 Cb -0.13 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.26 1qgh h PHE 149 CO -0.00 0.66 0.00 1.28 -2.23 0.00 0.00 178.31 178.02 1qgh n LEU 150 N -4.50 0.00 0.00 0.59 4.77 -0.42 -4.88 117.00 112.56 1qgh n LEU 150 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1qgh n LEU 150 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1qgh n LEU 150 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1qgh n GLY 151 N 0.77 0.58 3.78 -0.72 0.00 0.12 -5.03 105.19 104.70 1qgh n GLY 151 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.08 2.56 0.47 1.61 -0.14 0.40 -4.96 119.74 119.60 1qgh s LYS 152 Ca 0.00 -1.39 -0.19 0.00 -1.36 0.00 0.00 55.97 53.03 1qgh s LYS 152 Cb 0.00 -2.33 -0.09 0.00 -1.68 0.00 0.00 37.83 33.73 1qgh s LYS 152 CO 0.00 0.15 0.98 0.00 -0.76 0.00 0.00 175.35 175.72 1qgh s ALA 153 N -2.34 3.01 0.19 5.17 0.00 -1.26 -3.08 121.76 123.45 1qgh s ALA 153 Ca 0.38 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.59 1qgh s ALA 153 Cb -0.05 -3.16 0.19 0.00 0.00 0.00 0.00 23.12 20.10 1qgh s ALA 153 CO 0.24 -0.08 1.76 -1.35 0.00 0.00 0.00 175.76 176.33 1qgh h PRO 154 N 1.51 0.39 -0.64 0.00 0.11 -1.89 -1.36 132.00 130.13 1qgh h PRO 154 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1qgh h PRO 154 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1qgh h PRO 154 CO 0.61 0.26 0.00 1.28 -0.21 0.00 0.00 178.00 179.94 1qgh n LEU 155 N -4.97 3.99 -0.42 2.35 4.77 -1.26 -4.88 117.00 116.58 1qgh n LEU 155 Ca 0.06 -2.02 0.14 0.00 -0.03 0.00 0.00 56.01 54.17 1qgh n LEU 155 Cb 0.20 -0.54 0.58 0.00 -2.33 0.00 0.00 43.42 41.33 1qgh n LEU 155 CO 0.25 0.63 0.90 1.21 -1.33 0.00 0.00 177.39 179.05