#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghq s LYS 2 N 0.00 3.81 0.79 2.12 1.02 -1.26 -4.00 119.74 122.21 3ghq s LYS 2 Ca 0.00 1.98 -0.08 0.00 0.02 0.00 0.00 55.97 57.89 3ghq s LYS 2 Cb 0.00 -4.11 0.11 0.00 -0.52 0.00 0.00 37.83 33.32 3ghq s LYS 2 CO 0.00 -1.30 1.11 0.20 -0.92 0.00 0.00 175.35 174.44 3ghq s GLY 3 N 4.82 1.72 0.17 -3.33 0.00 -0.53 -5.03 107.32 105.15 3ghq s GLY 3 Ca 0.80 -1.15 -0.31 0.00 0.00 0.00 0.00 44.72 44.06 3ghq s GLY 3 CO 0.33 -0.60 1.40 -0.35 0.00 0.00 0.00 173.10 173.87 3ghq s ASP 4 N -4.67 6.78 0.19 1.64 -1.08 -1.26 -4.93 116.67 113.34 3ghq s ASP 4 Ca 0.65 2.45 -0.12 0.00 -0.52 0.00 0.00 52.55 55.01 3ghq s ASP 4 Cb -0.08 -2.60 0.15 0.00 -1.46 0.00 0.00 42.92 38.93 3ghq s ASP 4 CO 0.47 -0.64 1.80 0.74 0.52 0.00 0.00 175.17 178.05 3ghq h THR 5 N 3.93 0.98 -0.10 1.71 2.02 -1.97 -2.42 112.91 117.05 3ghq h THR 5 Ca -0.44 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 3ghq h THR 5 Cb 1.21 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3ghq h THR 5 CO 0.83 0.10 -0.38 0.50 0.37 0.00 0.00 175.52 176.94 3ghq h LYS 6 N 0.56 0.20 -0.23 6.66 3.64 -2.00 -1.14 116.57 124.27 3ghq h LYS 6 Ca 0.24 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3ghq h LYS 6 Cb 0.12 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3ghq h LYS 6 CO -0.15 0.55 0.12 0.28 -2.27 0.00 0.00 179.45 177.98 3ghq h VAL 7 N 0.17 1.12 -0.66 2.00 2.07 -1.86 -1.40 116.25 117.69 3ghq h VAL 7 Ca 0.02 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.29 3ghq h VAL 7 Cb 0.75 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 3ghq h VAL 7 CO 0.06 0.12 0.34 0.40 0.02 0.00 0.00 177.57 178.50 3ghq h ILE 8 N 0.26 0.92 -0.76 4.57 2.04 -0.94 0.26 117.51 123.85 3ghq h ILE 8 Ca 0.08 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3ghq h ILE 8 Cb 0.08 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 3ghq h ILE 8 CO -0.01 0.11 0.46 0.78 0.00 0.00 0.00 178.15 179.49 3ghq h ASN 9 N 0.62 0.90 -0.24 1.72 2.35 -0.87 0.53 115.58 120.59 3ghq h ASN 9 Ca 0.31 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3ghq h ASN 9 Cb 0.25 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3ghq h ASN 9 CO -0.21 0.70 0.12 1.88 -1.65 0.00 0.00 177.43 178.27 3ghq h TYR 10 N 1.03 0.23 -0.97 1.19 0.05 -0.57 0.15 116.97 118.08 3ghq h TYR 10 Ca 0.27 0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.10 3ghq h TYR 10 Cb -0.05 -0.07 -0.06 0.00 1.01 0.00 0.00 36.73 37.56 3ghq h TYR 10 CO -0.01 0.13 0.64 -0.07 -1.05 0.00 0.00 178.16 177.80 3ghq h LEU 11 N 0.26 1.06 -0.59 3.88 4.07 0.16 0.20 115.31 124.36 3ghq h LEU 11 Ca 0.10 -0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.91 3ghq h LEU 11 Cb 0.02 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 3ghq h LEU 11 CO -0.06 0.72 -0.30 0.78 -1.08 0.00 0.00 178.44 178.51 3ghq h ASN 12 N 1.23 0.83 -0.44 -0.43 2.35 -0.46 0.17 115.58 118.82 3ghq h ASN 12 Ca 0.39 -0.33 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3ghq h ASN 12 Cb 0.01 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3ghq h ASN 12 CO -0.12 1.07 0.05 0.50 -1.65 0.00 0.00 177.43 177.28 3ghq h LYS 13 N 0.68 0.74 -0.43 0.81 3.64 0.23 0.60 116.57 122.82 3ghq h LYS 13 Ca 0.08 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3ghq h LYS 13 Cb 0.83 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 3ghq h LYS 13 CO 0.07 0.77 0.17 -0.07 -2.27 0.00 0.00 179.45 178.13 3ghq h LEU 14 N 0.59 0.59 -1.04 5.20 3.38 -0.47 -1.79 115.31 121.76 3ghq h LEU 14 Ca 0.13 -0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.05 3ghq h LEU 14 Cb 0.41 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 3ghq h LEU 14 CO 0.01 0.59 0.63 0.25 0.09 0.00 0.00 178.44 180.01 3ghq h LEU 15 N 0.55 0.91 -0.60 1.67 5.85 -0.41 -0.49 115.31 122.79 3ghq h LEU 15 Ca 0.14 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3ghq h LEU 15 Cb 0.19 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3ghq h LEU 15 CO -0.01 0.49 0.35 1.23 -0.34 0.00 0.00 178.44 180.16 3ghq h GLY 16 N 0.98 0.87 0.96 3.75 0.00 -0.13 -0.32 103.07 109.17 3ghq h GLY 16 Ca 0.49 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.57 3ghq h GLY 16 CO -0.25 0.19 0.24 3.43 0.00 0.00 0.00 176.54 180.15 3ghq h ASN 17 N 0.68 0.40 -0.58 0.19 2.35 -0.32 -2.37 115.58 115.93 3ghq h ASN 17 Ca 0.25 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3ghq h ASN 17 Cb 0.09 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3ghq h ASN 17 CO -0.13 0.29 0.28 -0.33 -1.65 0.00 0.00 177.43 175.89 3ghq h GLU 18 N 0.49 0.84 -0.55 0.81 4.39 -0.69 -0.94 114.58 118.92 3ghq h GLU 18 Ca 0.15 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.78 3ghq h GLU 18 Cb -0.03 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.42 3ghq h GLU 18 CO -0.05 0.68 0.27 -0.07 -1.16 0.00 0.00 179.01 178.67 3ghq h LEU 19 N 0.79 0.36 0.15 1.33 4.07 -0.92 0.32 115.31 121.41 3ghq h LEU 19 Ca 0.20 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 3ghq h LEU 19 Cb 0.11 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.83 3ghq h LEU 19 CO -0.03 0.24 -0.07 0.58 -1.08 0.00 0.00 178.44 178.08 3ghq h VAL 20 N 0.50 0.87 -0.92 1.22 2.07 -0.92 -2.98 116.25 116.09 3ghq h VAL 20 Ca 0.25 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.74 3ghq h VAL 20 Cb 0.20 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3ghq h VAL 20 CO -0.20 0.01 0.61 0.00 0.02 0.00 0.00 177.57 178.02 3ghq h ALA 21 N 0.63 1.35 -0.10 1.67 0.00 -0.65 -0.52 119.26 121.63 3ghq h ALA 21 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ghq h ALA 21 Cb 0.17 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3ghq h ALA 21 CO 0.03 0.60 -0.15 0.82 0.00 0.00 0.00 179.25 180.55 3ghq h ILE 22 N 1.24 0.61 -0.20 0.00 2.04 -0.26 0.16 117.51 121.09 3ghq h ILE 22 Ca 0.34 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.12 3ghq h ILE 22 Cb -0.12 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3ghq h ILE 22 CO -0.08 0.00 -0.18 0.78 0.00 0.00 0.00 178.15 178.67 3ghq h ASN 23 N -0.20 0.51 -0.67 1.72 -0.26 -1.26 -1.06 115.58 114.36 3ghq h ASN 23 Ca 0.08 -0.46 -0.08 0.00 -0.56 0.00 0.00 56.30 55.28 3ghq h ASN 23 Cb 0.32 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.41 3ghq h ASN 23 CO -0.22 0.87 0.09 -0.61 -1.06 0.00 0.00 177.43 176.50 3ghq h GLN 24 N 0.16 1.12 -0.36 0.81 4.15 -0.90 -0.93 115.11 119.15 3ghq h GLN 24 Ca 0.04 -0.31 -0.14 0.00 0.77 0.00 0.00 58.65 59.01 3ghq h GLN 24 Cb 0.71 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 3ghq h GLN 24 CO 0.05 1.03 -0.31 1.88 -1.93 0.00 0.00 178.83 179.55 3ghq h TYR 25 N 1.04 1.00 -0.15 3.99 0.05 -0.64 -1.11 116.97 121.14 3ghq h TYR 25 Ca 0.20 -0.29 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 3ghq h TYR 25 Cb 0.47 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 3ghq h TYR 25 CO 0.03 1.08 0.06 0.35 -1.05 0.00 0.00 178.16 178.63 3ghq h PHE 26 N 0.63 0.23 -0.13 4.88 3.57 -0.86 0.59 116.94 125.85 3ghq h PHE 26 Ca 0.06 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3ghq h PHE 26 Cb 0.89 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 3ghq h PHE 26 CO 0.07 0.32 -0.02 1.25 -2.23 0.00 0.00 178.31 177.69 3ghq h LEU 27 N 0.08 -0.10 -0.42 0.59 6.46 -1.19 -1.95 115.31 118.77 3ghq h LEU 27 Ca 0.05 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 3ghq h LEU 27 Cb 0.19 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.13 3ghq h LEU 27 CO -0.00 -0.03 0.07 0.45 -0.62 0.00 0.00 178.44 178.30 3ghq h HIS 28 N 0.01 0.11 -0.44 1.25 3.86 -1.02 0.24 115.15 119.16 3ghq h HIS 28 Ca 0.06 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.39 3ghq h HIS 28 Cb 0.09 0.02 -0.09 0.00 1.06 0.00 0.00 27.41 28.49 3ghq h HIS 28 CO -0.16 -0.01 -0.20 0.00 0.86 0.00 0.00 177.93 178.42 3ghq h ALA 29 N 1.33 0.12 0.00 2.45 0.00 -0.53 0.39 119.26 123.02 3ghq h ALA 29 Ca 0.20 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3ghq h ALA 29 Cb 0.26 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3ghq h ALA 29 CO -0.28 -0.55 -0.17 0.00 0.00 0.00 0.00 179.25 178.25 3ghq h ARG 30 N -0.11 0.00 0.04 0.00 2.47 -0.64 -0.51 114.38 115.63 3ghq h ARG 30 Ca 0.21 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.93 3ghq h ARG 30 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 3ghq h ARG 30 CO -0.51 0.17 -0.02 0.52 0.56 0.00 0.00 179.97 180.68 3ghq h MET 31 N 0.00 -0.05 -0.73 0.04 2.86 -0.03 -0.28 114.93 116.75 3ghq h MET 31 Ca -0.00 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 3ghq h MET 31 Cb 0.96 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.55 3ghq h MET 31 CO 0.02 0.31 0.33 0.74 1.06 0.00 0.00 176.91 179.37 3ghq h PHE 32 N -0.42 0.58 -0.39 -0.22 0.05 -0.70 0.18 116.94 116.01 3ghq h PHE 32 Ca -0.01 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 3ghq h PHE 32 Cb 0.39 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 38.17 3ghq h PHE 32 CO 0.05 0.15 0.24 -0.22 -0.18 0.00 0.00 178.31 178.34 3ghq h LYS 33 N 0.52 0.53 -0.56 1.51 3.64 -0.91 0.00 116.57 121.31 3ghq h LYS 33 Ca 0.38 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 3ghq h LYS 33 Cb 0.50 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3ghq h LYS 33 CO -0.33 0.40 0.37 -0.97 -2.27 0.00 0.00 179.45 176.64 3ghq h ASN 34 N 0.52 0.63 0.06 4.20 -0.73 -0.45 -0.91 115.58 118.90 3ghq h ASN 34 Ca 0.14 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.30 3ghq h ASN 34 Cb 0.00 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.44 3ghq h ASN 34 CO -0.03 0.46 0.00 -0.26 -0.37 0.00 0.00 177.43 177.23 3ghq h PHE 35 N 0.75 0.00 0.00 0.67 0.04 -0.07 -3.46 116.94 114.88 3ghq h PHE 35 Ca 0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.98 3ghq h PHE 35 Cb -0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.08 3ghq h PHE 35 CO -0.04 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.08 3ghq n GLY 36 N -1.11 0.76 2.74 -1.45 0.00 -0.27 -4.97 105.19 100.89 3ghq n GLY 36 Ca -0.02 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3ghq n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ghq n LEU 37 N 0.00 7.12 -0.33 0.99 4.32 -0.17 -4.46 117.00 124.46 3ghq n LEU 37 Ca 0.00 -4.68 0.22 0.00 -0.02 0.00 0.00 56.01 51.52 3ghq n LEU 37 Cb 0.00 -1.46 0.48 0.00 -1.62 0.00 0.00 43.42 40.83 3ghq n LEU 37 CO 0.00 1.58 1.21 0.50 -1.22 0.00 0.00 177.39 179.46 3ghq h LYS 38 N 5.42 0.42 -0.16 3.23 1.63 -1.10 -1.14 116.57 124.87 3ghq h LYS 38 Ca 0.50 -0.03 -0.17 0.00 -0.85 0.00 0.00 60.65 60.10 3ghq h LYS 38 Cb 0.53 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 3ghq h LYS 38 CO 1.61 0.28 -0.62 -0.09 -3.45 0.00 0.00 179.45 177.18 3ghq h ARG 39 N 0.43 0.54 -0.01 1.90 1.12 -1.34 -1.97 114.38 115.06 3ghq h ARG 39 Ca 0.60 -0.38 -0.18 0.00 -1.11 0.00 0.00 59.98 58.91 3ghq h ARG 39 Cb 1.45 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.45 3ghq h ARG 39 CO -0.33 0.99 -0.82 -0.07 -3.11 0.00 0.00 179.97 176.64 3ghq h LEU 40 N 0.40 0.18 -0.45 3.80 4.07 -1.42 -2.42 115.31 119.48 3ghq h LEU 40 Ca -0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 3ghq h LEU 40 Cb 1.18 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.84 3ghq h LEU 40 CO 0.12 0.92 0.19 -1.13 -1.08 0.00 0.00 178.44 177.46 3ghq h ASN 41 N 0.08 0.61 -0.06 -0.43 -1.24 -1.20 -1.00 115.58 112.34 3ghq h ASN 41 Ca -0.03 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 56.82 3ghq h ASN 41 Cb 1.42 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 40.31 3ghq h ASN 41 CO 0.12 0.60 0.02 0.44 -1.29 0.00 0.00 177.43 177.32 3ghq h ASP 42 N 0.59 0.09 -0.18 1.15 3.32 -1.26 -0.34 116.42 119.79 3ghq h ASP 42 Ca 0.15 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3ghq h ASP 42 Cb 0.16 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3ghq h ASP 42 CO -0.02 0.25 0.06 0.58 -1.72 0.00 0.00 179.24 178.40 3ghq h VAL 43 N -0.07 1.17 -0.47 -1.35 2.07 -1.42 -1.23 116.25 114.95 3ghq h VAL 43 Ca 0.02 -0.53 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 3ghq h VAL 43 Cb 0.19 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3ghq h VAL 43 CO -0.00 0.17 -0.09 -0.33 0.02 0.00 0.00 177.57 177.33 3ghq h GLU 44 N 0.12 0.85 -0.09 1.57 4.39 -1.14 -1.21 114.58 119.07 3ghq h GLU 44 Ca 0.06 -0.28 0.02 0.00 0.34 0.00 0.00 59.36 59.50 3ghq h GLU 44 Cb 0.20 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 3ghq h GLU 44 CO -0.00 0.90 -0.06 -0.92 -1.16 0.00 0.00 179.01 177.77 3ghq h TYR 45 N 0.77 -0.14 -0.93 4.33 3.20 -1.00 -0.12 116.97 123.07 3ghq h TYR 45 Ca 0.13 0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.19 3ghq h TYR 45 Cb 0.59 0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.83 3ghq h TYR 45 CO 0.03 -0.10 0.51 1.25 -1.64 0.00 0.00 178.16 178.22 3ghq h HIS 46 N -0.06 0.90 -0.01 -3.82 2.76 -0.52 -1.37 115.15 113.01 3ghq h HIS 46 Ca 0.06 0.04 -0.18 0.00 -2.20 0.00 0.00 60.37 58.08 3ghq h HIS 46 Cb 0.15 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 3ghq h HIS 46 CO -0.17 0.18 -0.80 0.93 -1.30 0.00 0.00 177.93 176.76 3ghq h GLU 47 N 0.66 0.17 -0.47 5.26 5.08 -0.49 -0.49 114.58 124.30 3ghq h GLU 47 Ca 0.53 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.77 3ghq h GLU 47 Cb 0.83 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 3ghq h GLU 47 CO -0.40 0.88 0.20 1.03 -1.00 0.00 0.00 179.01 179.73 3ghq h SER 48 N 0.11 0.26 -0.90 1.42 0.87 0.02 -1.90 113.55 113.42 3ghq h SER 48 Ca -0.03 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.63 3ghq h SER 48 Cb 1.39 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.29 3ghq h SER 48 CO 0.12 0.18 0.57 0.40 -0.53 0.00 0.00 176.83 177.57 3ghq h ILE 49 N 0.40 1.06 -0.51 2.23 1.08 -0.91 -1.20 117.51 119.66 3ghq h ILE 49 Ca 0.21 -0.35 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 3ghq h ILE 49 Cb 0.17 -0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 33.83 3ghq h ILE 49 CO -0.18 0.19 0.33 -0.78 -0.69 0.00 0.00 178.15 177.01 3ghq h ASP 50 N 1.03 0.55 0.58 1.72 3.58 -0.68 -1.37 116.42 121.84 3ghq h ASP 50 Ca 0.39 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.74 3ghq h ASP 50 Cb 0.17 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 3ghq h ASP 50 CO -0.17 0.40 -0.44 -0.33 -2.88 0.00 0.00 179.24 175.81 3ghq h GLU 51 N 0.66 0.00 -0.37 0.28 4.39 -0.84 -2.02 114.58 116.68 3ghq h GLU 51 Ca 0.19 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 3ghq h GLU 51 Cb -0.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3ghq h GLU 51 CO -0.06 0.44 0.15 0.52 -1.16 0.00 0.00 179.01 178.90 3ghq h MET 52 N 0.00 0.55 -0.99 2.33 2.86 -0.56 -0.32 114.93 118.80 3ghq h MET 52 Ca -0.00 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.61 3ghq h MET 52 Cb 0.85 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.35 3ghq h MET 52 CO 0.06 0.53 0.63 0.87 1.06 0.00 0.00 176.91 180.06 3ghq h LYS 53 N 0.45 1.08 -0.07 1.72 1.57 -0.76 -0.22 116.57 120.33 3ghq h LYS 53 Ca 0.12 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3ghq h LYS 53 Cb 0.19 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3ghq h LYS 53 CO -0.01 0.71 0.01 0.45 -0.57 0.00 0.00 179.45 180.04 3ghq h HIS 54 N 1.11 0.13 -0.44 -1.35 3.86 -0.93 -1.70 115.15 115.83 3ghq h HIS 54 Ca 0.44 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.71 3ghq h HIS 54 Cb 0.25 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 28.62 3ghq h HIS 54 CO -0.01 0.34 0.03 0.00 0.86 0.00 0.00 177.93 179.15 3ghq h ALA 55 N 0.78 0.44 -0.59 2.45 0.00 -0.57 -0.69 119.26 121.07 3ghq h ALA 55 Ca 0.02 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3ghq h ALA 55 Cb 0.28 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3ghq h ALA 55 CO 0.00 -0.36 0.27 0.22 0.00 0.00 0.00 179.25 179.38 3ghq h ASP 56 N 0.15 0.34 -0.70 0.00 3.58 -0.93 0.48 116.42 119.33 3ghq h ASP 56 Ca 0.22 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.68 3ghq h ASP 56 Cb 0.30 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 3ghq h ASP 56 CO -0.33 0.21 0.26 0.03 -2.88 0.00 0.00 179.24 176.53 3ghq h ARG 57 N 0.49 1.06 -0.43 0.28 3.08 -0.21 -0.77 114.38 117.88 3ghq h ARG 57 Ca 0.28 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3ghq h ARG 57 Cb 0.27 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3ghq h ARG 57 CO -0.24 0.89 0.19 1.88 -1.07 0.00 0.00 179.97 181.62 3ghq h TYR 58 N 1.00 0.63 -0.76 3.04 0.05 -0.54 -1.77 116.97 118.63 3ghq h TYR 58 Ca 0.23 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.97 3ghq h TYR 58 Cb 0.24 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.75 3ghq h TYR 58 CO 0.02 0.53 0.47 0.82 -1.05 0.00 0.00 178.16 178.96 3ghq h ILE 59 N 0.55 1.21 -0.25 -2.88 2.04 -0.38 0.34 117.51 118.14 3ghq h ILE 59 Ca 0.15 -0.44 -0.16 0.00 1.00 0.00 0.00 64.86 65.41 3ghq h ILE 59 Cb 0.15 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 3ghq h ILE 59 CO -0.02 0.21 -0.47 -0.33 0.00 0.00 0.00 178.15 177.55 3ghq h GLU 60 N 1.04 0.68 -0.16 2.37 5.08 -1.01 -1.87 114.58 120.71 3ghq h GLU 60 Ca 0.28 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3ghq h GLU 60 Cb -0.06 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3ghq h GLU 60 CO -0.05 1.00 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.79 3ghq h ARG 61 N 0.54 0.33 -0.54 2.33 9.65 -0.75 0.13 114.38 126.06 3ghq h ARG 61 Ca 0.03 -0.14 0.04 0.00 -1.10 0.00 0.00 59.98 58.81 3ghq h ARG 61 Cb 1.02 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.55 3ghq h ARG 61 CO 0.10 0.64 0.29 0.82 2.80 0.00 0.00 179.97 184.62 3ghq h ILE 62 N -0.00 0.97 -0.78 1.20 2.04 -0.23 0.89 117.51 121.60 3ghq h ILE 62 Ca 0.03 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3ghq h ILE 62 Cb 0.55 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3ghq h ILE 62 CO 0.02 0.10 0.36 -0.07 0.00 0.00 0.00 178.15 178.56 3ghq h LEU 63 N 0.55 1.03 -0.48 1.44 4.07 -1.26 0.11 115.31 120.78 3ghq h LEU 63 Ca 0.24 -0.15 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 3ghq h LEU 63 Cb 0.12 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 3ghq h LEU 63 CO -0.15 0.89 0.20 0.15 -1.08 0.00 0.00 178.44 178.45 3ghq h PHE 64 N 1.10 0.72 0.00 1.13 3.57 0.09 -0.90 116.94 122.65 3ghq h PHE 64 Ca 0.26 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3ghq h PHE 64 Cb 0.14 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.67 3ghq h PHE 64 CO 0.01 0.60 0.00 1.28 -2.23 0.00 0.00 178.31 177.98 3ghq n LEU 65 N -4.58 0.00 -0.94 0.59 4.77 0.21 -2.55 117.00 114.50 3ghq n LEU 65 Ca 0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 3ghq n LEU 65 Cb 0.15 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3ghq n LEU 65 CO 0.38 0.00 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.71 3ghq n GLU 66 N -0.83 -0.67 -2.88 3.23 1.02 -0.25 -1.45 120.64 118.82 3ghq n GLU 66 Ca 0.14 0.44 -0.19 0.00 -0.02 0.00 0.00 57.16 57.53 3ghq n GLU 66 Cb 0.06 -4.40 0.07 0.00 -0.02 0.00 0.00 31.44 27.15 3ghq n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ghq n GLY 67 N -1.08 1.92 3.24 0.62 0.00 0.24 -4.97 105.19 105.15 3ghq n GLY 67 Ca -0.10 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.31 3ghq n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ghq s LEU 68 N 0.00 5.11 0.31 0.99 1.02 -1.26 -4.25 118.68 120.60 3ghq s LEU 68 Ca 0.58 -1.59 -0.30 0.00 0.02 0.00 0.00 54.13 52.85 3ghq s LEU 68 Cb -0.05 -1.94 -0.11 0.00 0.02 0.00 0.00 46.19 44.11 3ghq s LEU 68 CO 0.37 -0.53 1.57 -2.84 0.02 0.00 0.00 176.35 174.94 3ghq s PRO 69 N 1.36 4.12 -0.41 1.29 0.02 -1.26 -4.94 135.00 135.18 3ghq s PRO 69 Ca 0.03 2.57 -0.08 0.00 0.02 0.00 0.00 61.00 63.55 3ghq s PRO 69 Cb -0.23 -3.01 0.08 0.00 0.02 0.00 0.00 34.50 31.36 3ghq s PRO 69 CO 0.01 -0.61 0.25 1.21 -0.33 0.00 0.00 177.00 177.52 3ghq s ASN 70 N 0.35 5.57 -0.03 2.53 3.84 -1.26 -4.87 114.94 121.06 3ghq s ASN 70 Ca 0.61 -1.57 0.13 0.00 0.21 0.00 0.00 52.86 52.24 3ghq s ASN 70 Cb -0.47 -1.96 0.40 0.00 -0.55 0.00 0.00 41.25 38.67 3ghq s ASN 70 CO 0.51 -0.53 1.34 0.18 -2.79 0.00 0.00 177.10 175.81 3ghq n LEU 71 N 4.87 3.31 0.03 3.21 4.32 -1.26 -4.62 117.00 126.85 3ghq n LEU 71 Ca -0.09 -2.18 -0.22 0.00 -0.02 0.00 0.00 56.01 53.50 3ghq n LEU 71 Cb 0.43 -0.33 -0.14 0.00 -1.62 0.00 0.00 43.42 41.76 3ghq n LEU 71 CO 0.38 0.76 -0.67 -0.61 -1.22 0.00 0.00 177.39 176.02 3ghq h GLN 72 N 2.38 0.30 -5.91 3.23 5.75 -2.02 -3.45 115.11 115.40 3ghq h GLN 72 Ca 0.00 -0.52 -0.57 0.00 -0.15 0.00 0.00 58.65 57.41 3ghq h GLN 72 Cb 0.91 0.19 -0.07 0.00 1.07 0.00 0.00 27.48 29.59 3ghq h GLN 72 CO 0.05 1.25 -0.05 -0.51 -2.65 0.00 0.00 178.83 176.91 3ghq s ASP 73 N -7.13 6.84 -0.15 -0.69 1.01 -1.26 -5.05 116.67 110.24 3ghq s ASP 73 Ca -0.20 1.00 0.01 0.00 0.71 0.00 0.00 52.55 54.07 3ghq s ASP 73 Cb 0.06 -2.34 0.02 0.00 1.01 0.00 0.00 42.92 41.67 3ghq s ASP 73 CO 0.79 0.01 -0.18 -0.22 0.21 0.00 0.00 175.17 175.79 3ghq s LEU 74 N 0.39 1.92 0.00 1.23 2.96 -1.26 -4.92 118.68 118.99 3ghq s LEU 74 Ca 0.30 -0.55 -0.12 0.00 -0.22 0.00 0.00 54.13 53.54 3ghq s LEU 74 Cb -0.17 -1.32 0.18 0.00 0.50 0.00 0.00 46.19 45.39 3ghq s LEU 74 CO 0.14 -0.00 0.64 0.61 -1.32 0.00 0.00 176.35 176.42 3ghq n GLY 75 N 4.51 -2.63 3.67 7.98 0.00 -1.26 -4.94 105.19 112.51 3ghq n GLY 75 Ca -0.19 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 3ghq n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ghq s LYS 76 N -4.45 4.24 0.23 1.61 2.20 -1.26 -4.96 119.74 117.35 3ghq s LYS 76 Ca 0.42 1.75 -0.30 0.00 -0.36 0.00 0.00 55.97 57.48 3ghq s LYS 76 Cb -0.04 -3.75 -0.09 0.00 -1.51 0.00 0.00 37.83 32.44 3ghq s LYS 76 CO 0.32 -0.68 1.02 -0.51 -0.36 0.00 0.00 175.35 175.14 3ghq s LEU 77 N 3.32 4.57 -0.26 5.43 1.02 -1.26 -5.05 118.68 126.46 3ghq s LEU 77 Ca 0.58 2.06 0.02 0.00 0.02 0.00 0.00 54.13 56.81 3ghq s LEU 77 Cb -0.24 -3.61 0.07 0.00 0.02 0.00 0.00 46.19 42.42 3ghq s LEU 77 CO 0.18 -0.03 -0.05 0.21 0.02 0.00 0.00 176.35 176.68 3ghq s ASN 78 N -0.76 4.14 -0.17 2.29 2.47 -1.26 -5.04 114.94 116.60 3ghq s ASN 78 Ca 0.44 -1.37 -0.14 0.00 0.42 0.00 0.00 52.86 52.21 3ghq s ASN 78 Cb -0.28 -1.32 -0.10 0.00 -1.45 0.00 0.00 41.25 38.10 3ghq s ASN 78 CO 0.35 -0.25 -0.02 -0.38 -3.72 0.00 0.00 177.10 173.09 3ghq n ILE 79 N 4.56 1.47 0.00 -5.21 2.08 -1.26 -4.82 119.36 116.18 3ghq n ILE 79 Ca -0.10 0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3ghq n ILE 79 Cb 0.43 -2.24 0.00 0.00 -0.75 0.00 0.00 39.64 37.08 3ghq n ILE 79 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3ghq n GLY 80 N 1.53 -2.04 0.03 7.39 0.00 -1.26 -4.45 105.19 106.40 3ghq n GLY 80 Ca -0.18 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 3ghq n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ghq n GLU 81 N -1.89 2.16 -4.28 1.61 1.02 -1.26 -4.87 120.64 113.13 3ghq n GLU 81 Ca 0.00 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.92 3ghq n GLU 81 Cb 0.00 -1.16 -0.08 0.00 -0.02 0.00 0.00 31.44 30.19 3ghq n GLU 81 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 3ghq s ASP 82 N -4.06 4.42 0.16 1.62 -4.77 -1.26 -5.00 116.67 107.79 3ghq s ASP 82 Ca -0.05 -0.77 -0.27 0.00 -3.30 0.00 0.00 52.55 48.16 3ghq s ASP 82 Cb 0.02 -0.72 0.00 0.00 -1.09 0.00 0.00 42.92 41.13 3ghq s ASP 82 CO 0.23 -0.10 1.56 0.58 0.70 0.00 0.00 175.17 178.14 3ghq h VAL 83 N 1.84 0.06 -0.11 2.11 2.07 -1.99 -0.54 116.25 119.70 3ghq h VAL 83 Ca -0.43 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.12 3ghq h VAL 83 Cb 1.25 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3ghq h VAL 83 CO 0.62 0.00 -0.13 -0.08 0.02 0.00 0.00 177.57 178.00 3ghq h GLU 84 N -0.25 -0.16 -0.90 1.57 4.81 -1.99 0.61 114.58 118.27 3ghq h GLU 84 Ca 0.16 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.47 3ghq h GLU 84 Cb 0.56 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 3ghq h GLU 84 CO -0.69 -0.11 0.59 1.49 -0.73 0.00 0.00 179.01 179.56 3ghq h GLU 85 N -0.17 0.96 -0.05 1.92 4.81 -1.81 0.11 114.58 120.35 3ghq h GLU 85 Ca 0.08 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.02 3ghq h GLU 85 Cb 0.29 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.47 3ghq h GLU 85 CO -0.21 0.64 -0.92 0.00 -0.73 0.00 0.00 179.01 177.79 3ghq h MET 86 N 0.99 0.63 -0.60 1.92 -0.00 -0.11 -1.23 114.93 116.52 3ghq h MET 86 Ca 0.40 -0.61 -0.05 0.00 -0.00 0.00 0.00 59.70 59.44 3ghq h MET 86 Cb 0.26 0.16 -0.03 0.00 -0.00 0.00 0.00 31.60 31.99 3ghq h MET 86 CO -0.16 1.22 0.19 -0.07 -0.00 0.00 0.00 176.91 178.09 3ghq h LEU 87 N 0.38 0.87 -1.11 -0.10 4.07 -0.26 -2.18 115.31 116.97 3ghq h LEU 87 Ca -0.09 -0.21 -0.06 0.00 0.08 0.00 0.00 57.88 57.60 3ghq h LEU 87 Cb 1.55 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 43.04 3ghq h LEU 87 CO 0.17 0.85 -0.05 -0.09 -1.08 0.00 0.00 178.44 178.25 3ghq h ARG 88 N 0.85 0.57 -0.49 1.13 2.43 -0.69 -0.75 114.38 117.43 3ghq h ARG 88 Ca 0.19 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 3ghq h ARG 88 Cb 0.29 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3ghq h ARG 88 CO -0.01 0.63 -0.20 1.03 -1.51 0.00 0.00 179.97 179.91 3ghq h SER 89 N 0.53 1.03 -0.58 -3.80 0.87 -0.81 -0.82 113.55 109.98 3ghq h SER 89 Ca 0.11 -0.39 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 3ghq h SER 89 Cb 0.42 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3ghq h SER 89 CO 0.02 1.19 0.29 0.44 -0.53 0.00 0.00 176.83 178.24 3ghq h ASP 90 N 0.87 0.74 -0.11 6.23 3.45 -0.74 -2.20 116.42 124.66 3ghq h ASP 90 Ca 0.12 -0.12 0.01 0.00 0.43 0.00 0.00 57.03 57.47 3ghq h ASP 90 Cb 0.78 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 3ghq h ASP 90 CO 0.06 0.65 0.05 0.25 -1.57 0.00 0.00 179.24 178.68 3ghq h LEU 91 N 0.78 0.07 -1.34 1.55 5.85 -0.89 -1.55 115.31 119.80 3ghq h LEU 91 Ca 0.20 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.00 3ghq h LEU 91 Cb 0.09 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3ghq h LEU 91 CO -0.03 0.06 0.50 0.00 -0.34 0.00 0.00 178.44 178.63 3ghq h ALA 92 N 1.06 1.69 -0.26 1.25 0.00 -1.02 -0.72 119.26 121.26 3ghq h ALA 92 Ca 0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3ghq h ALA 92 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ghq h ALA 92 CO -0.03 0.18 -0.46 1.25 0.00 0.00 0.00 179.25 180.18 3ghq h LEU 93 N 0.79 0.73 -0.20 0.00 5.85 -0.93 -1.54 115.31 120.02 3ghq h LEU 93 Ca 0.34 -0.36 -0.21 0.00 0.84 0.00 0.00 57.88 58.49 3ghq h LEU 93 Cb 0.29 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.12 3ghq h LEU 93 CO -0.12 1.08 -0.72 -0.08 -0.34 0.00 0.00 178.44 178.27 3ghq h GLU 94 N 0.54 0.83 -0.75 1.25 4.57 -0.80 -1.07 114.58 119.15 3ghq h GLU 94 Ca 0.03 -0.63 -0.01 0.00 -1.18 0.00 0.00 59.36 57.57 3ghq h GLU 94 Cb 1.01 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.68 3ghq h GLU 94 CO 0.10 1.24 0.42 -0.07 -1.18 0.00 0.00 179.01 179.52 3ghq h LEU 95 N 0.58 0.93 -0.98 1.64 4.07 -1.05 0.51 115.31 121.01 3ghq h LEU 95 Ca -0.03 -0.09 -0.09 0.00 0.08 0.00 0.00 57.88 57.74 3ghq h LEU 95 Cb 1.34 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 3ghq h LEU 95 CO 0.15 0.75 -0.25 0.44 -1.08 0.00 0.00 178.44 178.45 3ghq h ASP 96 N 1.04 0.44 -0.29 -0.43 3.32 -1.01 -2.49 116.42 117.00 3ghq h ASP 96 Ca 0.27 -0.15 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 3ghq h ASP 96 Cb 0.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3ghq h ASP 96 CO -0.04 0.69 -0.42 1.23 -1.72 0.00 0.00 179.24 178.98 3ghq h GLY 97 N 1.02 0.93 1.32 2.75 0.00 -0.87 -2.56 103.07 105.65 3ghq h GLY 97 Ca 0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 47.33 46.39 3ghq h GLY 97 CO 0.05 0.87 0.25 0.00 0.00 0.00 0.00 176.54 177.71 3ghq h ALA 98 N 0.83 1.30 0.01 3.60 0.00 -0.77 -1.62 119.26 122.62 3ghq h ALA 98 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ghq h ALA 98 Cb 1.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3ghq h ALA 98 CO 0.10 0.52 -0.02 -0.22 0.00 0.00 0.00 179.25 179.63 3ghq h LYS 99 N 0.87 -0.04 -0.54 0.00 3.64 -1.32 -0.23 116.57 118.95 3ghq h LYS 99 Ca 0.21 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3ghq h LYS 99 Cb 0.15 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3ghq h LYS 99 CO -0.02 -0.03 0.13 -0.91 -2.27 0.00 0.00 179.45 176.35 3ghq h ASN 100 N -0.05 0.77 -0.32 4.20 -0.26 -1.17 -2.38 115.58 116.38 3ghq h ASN 100 Ca 0.01 -0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.60 3ghq h ASN 100 Cb 0.05 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 3ghq h ASN 100 CO -0.01 0.76 0.17 -0.07 -1.06 0.00 0.00 177.43 177.22 3ghq h LEU 101 N 0.80 0.39 -0.67 1.61 3.38 -1.02 -0.35 115.31 119.46 3ghq h LEU 101 Ca 0.18 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3ghq h LEU 101 Cb 0.29 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3ghq h LEU 101 CO -0.00 0.37 0.41 0.03 0.09 0.00 0.00 178.44 179.33 3ghq h ARG 102 N 0.39 0.77 -0.26 1.13 3.08 -0.72 -0.30 114.38 118.48 3ghq h ARG 102 Ca 0.11 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3ghq h ARG 102 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3ghq h ARG 102 CO -0.02 0.51 0.03 1.49 -1.07 0.00 0.00 179.97 180.91 3ghq h GLU 103 N 0.79 0.43 -0.81 0.04 4.81 -1.21 -2.78 114.58 115.85 3ghq h GLU 103 Ca 0.27 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 3ghq h GLU 103 Cb 0.05 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3ghq h GLU 103 CO -0.12 0.57 0.34 0.00 -0.73 0.00 0.00 179.01 179.07 3ghq h ALA 104 N 0.85 1.07 -0.67 2.92 0.00 -0.59 -2.58 119.26 120.26 3ghq h ALA 104 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ghq h ALA 104 Cb 0.35 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ghq h ALA 104 CO 0.01 0.67 0.36 0.82 0.00 0.00 0.00 179.25 181.10 3ghq h ILE 105 N 1.18 1.21 -0.78 0.00 2.04 -1.01 -0.59 117.51 119.56 3ghq h ILE 105 Ca 0.27 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 3ghq h ILE 105 Cb 0.19 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3ghq h ILE 105 CO -0.03 0.24 0.28 1.23 0.00 0.00 0.00 178.15 179.88 3ghq h GLY 106 N 0.92 1.27 0.73 5.37 0.00 -1.28 -2.35 103.07 107.73 3ghq h GLY 106 Ca 0.23 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 3ghq h GLY 106 CO -0.04 0.67 -0.33 -1.82 0.00 0.00 0.00 176.54 175.03 3ghq h TYR 107 N 1.15 0.50 -0.95 5.60 3.20 -1.05 -2.48 116.97 122.93 3ghq h TYR 107 Ca 0.26 -0.21 0.13 0.00 3.14 0.00 0.00 58.73 62.05 3ghq h TYR 107 Cb 0.25 -0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.35 3ghq h TYR 107 CO 0.02 0.94 0.58 0.00 -1.64 0.00 0.00 178.16 178.06 3ghq h ALA 108 N 0.46 1.46 -0.75 1.82 0.00 -1.09 0.62 119.26 121.78 3ghq h ALA 108 Ca -0.02 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ghq h ALA 108 Cb 0.96 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3ghq h ALA 108 CO 0.07 0.12 0.48 0.22 0.00 0.00 0.00 179.25 180.14 3ghq h ASP 109 N 0.87 0.81 1.76 0.00 1.82 -1.33 0.10 116.42 120.46 3ghq h ASP 109 Ca 0.49 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 57.11 3ghq h ASP 109 Cb 0.56 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.38 3ghq h ASP 109 CO -0.30 0.57 -0.06 0.77 -1.61 0.00 0.00 179.24 178.62 3ghq h SER 110 N 0.96 0.00 -0.69 2.28 4.64 -0.43 -1.98 113.55 118.34 3ghq h SER 110 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3ghq h SER 110 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3ghq h SER 110 CO -0.09 0.06 0.00 1.33 -0.87 0.00 0.00 176.83 177.26 3ghq n VAL 111 N -3.12 0.91 -1.14 0.95 0.24 -0.75 -4.97 118.33 110.46 3ghq n VAL 111 Ca 0.03 -0.92 -0.05 0.00 -2.04 0.00 0.00 64.34 61.37 3ghq n VAL 111 Cb 0.51 0.47 -0.02 0.00 -1.47 0.00 0.00 33.84 33.33 3ghq n VAL 111 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3ghq n HIS 112 N 1.51 0.00 -1.86 6.34 -0.00 -0.58 -4.91 115.22 115.72 3ghq n HIS 112 Ca 0.23 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.53 3ghq n HIS 112 Cb 0.58 -1.26 0.00 0.00 -0.00 0.00 0.00 29.99 29.31 3ghq n HIS 112 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3ghq n ASP 113 N 0.31 4.12 0.14 0.41 -0.08 0.26 -4.74 116.55 116.97 3ghq n ASP 113 Ca -0.05 -2.90 0.02 0.00 -1.51 0.00 0.00 54.79 50.35 3ghq n ASP 113 Cb 0.23 -1.62 0.35 0.00 2.34 0.00 0.00 41.12 42.41 3ghq n ASP 113 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3ghq h TYR 114 N 5.96 0.17 -0.01 -0.67 0.05 -1.91 -1.66 116.97 118.89 3ghq h TYR 114 Ca 0.53 -0.03 -0.22 0.00 0.05 0.00 0.00 58.73 59.06 3ghq h TYR 114 Cb 0.64 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.34 3ghq h TYR 114 CO 1.42 0.42 -0.91 -0.24 -1.05 0.00 0.00 178.16 177.79 3ghq h VAL 115 N 0.14 1.39 -0.90 -2.88 3.04 -1.96 0.55 116.25 115.64 3ghq h VAL 115 Ca 0.02 -2.39 0.08 0.00 -1.01 0.00 0.00 66.70 63.40 3ghq h VAL 115 Cb 0.56 2.37 -0.07 0.00 -2.01 0.00 0.00 31.29 32.14 3ghq h VAL 115 CO 0.04 0.72 0.55 0.28 -1.01 0.00 0.00 177.57 178.15 3ghq h SER 116 N 0.25 0.85 -0.29 3.17 0.02 -1.93 -1.25 113.55 114.37 3ghq h SER 116 Ca -0.07 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3ghq h SER 116 Cb 1.54 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 3ghq h SER 116 CO 0.16 0.52 0.16 -0.09 -1.14 0.00 0.00 176.83 176.44 3ghq h ARG 117 N 0.97 0.40 -0.11 3.45 2.43 -0.94 -0.73 114.38 119.84 3ghq h ARG 117 Ca 0.41 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.54 3ghq h ARG 117 Cb 0.26 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3ghq h ARG 117 CO -0.20 0.34 0.04 0.22 -1.51 0.00 0.00 179.97 178.85 3ghq h ASP 118 N 0.35 0.04 -0.53 -3.80 3.58 -0.53 0.21 116.42 115.74 3ghq h ASP 118 Ca 0.10 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.64 3ghq h ASP 118 Cb 0.05 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.05 3ghq h ASP 118 CO -0.02 0.04 0.17 -0.03 -2.88 0.00 0.00 179.24 176.52 3ghq h MET 119 N 0.09 0.33 -0.32 0.28 4.05 -1.10 -2.42 114.93 115.84 3ghq h MET 119 Ca 0.05 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 3ghq h MET 119 Cb 0.03 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 3ghq h MET 119 CO -0.05 0.22 -0.13 0.52 0.23 0.00 0.00 176.91 177.69 3ghq h MET 120 N 0.34 0.56 -0.56 0.39 2.86 0.08 -2.19 114.93 116.40 3ghq h MET 120 Ca 0.26 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 3ghq h MET 120 Cb 0.31 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3ghq h MET 120 CO -0.28 0.68 0.04 0.82 1.06 0.00 0.00 176.91 179.23 3ghq h ILE 121 N 0.51 1.25 -0.49 -1.22 2.04 -0.28 -0.29 117.51 119.03 3ghq h ILE 121 Ca 0.09 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 3ghq h ILE 121 Cb 0.53 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3ghq h ILE 121 CO 0.03 0.37 0.25 -0.33 0.00 0.00 0.00 178.15 178.48 3ghq h GLU 122 N 0.87 0.70 -0.61 2.37 5.08 -1.06 -1.42 114.58 120.51 3ghq h GLU 122 Ca 0.17 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3ghq h GLU 122 Cb 0.46 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3ghq h GLU 122 CO 0.02 0.57 0.26 0.82 -1.00 0.00 0.00 179.01 179.68 3ghq h ILE 123 N 0.65 1.23 -0.43 3.13 2.04 -1.11 -1.63 117.51 121.39 3ghq h ILE 123 Ca 0.17 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.35 3ghq h ILE 123 Cb 0.09 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3ghq h ILE 123 CO -0.02 0.27 0.27 0.25 0.00 0.00 0.00 178.15 178.92 3ghq h LEU 124 N 0.85 0.47 -0.67 1.44 5.85 -0.78 0.11 115.31 122.58 3ghq h LEU 124 Ca 0.21 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.03 3ghq h LEU 124 Cb 0.18 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 3ghq h LEU 124 CO -0.02 0.34 0.26 -0.09 -0.34 0.00 0.00 178.44 178.59 3ghq h ARG 125 N 0.56 0.43 -0.79 1.25 2.43 -0.95 0.25 114.38 117.56 3ghq h ARG 125 Ca 0.16 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3ghq h ARG 125 Cb -0.05 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 3ghq h ARG 125 CO -0.05 0.28 0.38 -0.44 -1.51 0.00 0.00 179.97 178.64 3ghq h ASP 126 N 0.44 1.01 -0.48 -3.80 3.45 -0.19 -2.12 116.42 114.73 3ghq h ASP 126 Ca 0.35 -0.11 -0.11 0.00 0.43 0.00 0.00 57.03 57.59 3ghq h ASP 126 Cb 0.47 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 3ghq h ASP 126 CO -0.34 0.85 -0.13 -0.33 -1.57 0.00 0.00 179.24 177.72 3ghq h GLU 127 N 1.11 0.93 -0.58 3.56 4.39 0.11 -2.23 114.58 121.87 3ghq h GLU 127 Ca 0.27 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.62 3ghq h GLU 127 Cb 0.10 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 3ghq h GLU 127 CO -0.04 1.02 0.38 0.93 -1.16 0.00 0.00 179.01 180.15 3ghq h GLU 128 N 0.78 0.74 -0.22 2.33 5.08 -0.39 0.66 114.58 123.56 3ghq h GLU 128 Ca 0.12 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3ghq h GLU 128 Cb 0.68 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3ghq h GLU 128 CO 0.05 0.49 0.01 0.78 -1.00 0.00 0.00 179.01 179.34 3ghq h GLY 129 N 0.76 0.22 0.98 -3.84 0.00 -0.82 -0.09 103.07 100.28 3ghq h GLY 129 Ca 0.21 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 3ghq h GLY 129 CO -0.05 -0.04 0.26 0.45 0.00 0.00 0.00 176.54 177.16 3ghq h HIS 130 N 0.08 0.58 -0.29 5.60 3.86 -0.73 -1.78 115.15 122.47 3ghq h HIS 130 Ca 0.10 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.36 3ghq h HIS 130 Cb 0.13 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.36 3ghq h HIS 130 CO -0.18 0.41 -0.04 0.82 0.86 0.00 0.00 177.93 179.80 3ghq h ILE 131 N 0.58 0.75 -0.37 2.45 2.04 -0.68 -0.49 117.51 121.79 3ghq h ILE 131 Ca 0.16 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.07 3ghq h ILE 131 Cb 0.01 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 3ghq h ILE 131 CO -0.03 0.01 -0.01 -0.78 0.00 0.00 0.00 178.15 177.33 3ghq h ASP 132 N 0.03 -0.18 -0.05 1.72 1.82 -0.68 0.30 116.42 119.37 3ghq h ASP 132 Ca 0.14 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.87 3ghq h ASP 132 Cb 0.20 0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.37 3ghq h ASP 132 CO -0.27 -0.05 0.03 -0.25 -1.61 0.00 0.00 179.24 177.09 3ghq h TRP 133 N 0.08 0.07 -0.25 0.28 7.01 -0.82 -1.51 115.95 120.82 3ghq h TRP 133 Ca 0.18 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.21 3ghq h TRP 133 Cb 0.26 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 3ghq h TRP 133 CO -0.27 0.13 0.09 -0.07 -2.79 0.00 0.00 178.44 175.53 3ghq h LEU 134 N -0.00 0.10 -0.49 0.65 -0.00 -0.72 -1.41 115.31 113.44 3ghq h LEU 134 Ca 0.02 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.95 3ghq h LEU 134 Cb 0.08 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 3ghq h LEU 134 CO -0.00 0.09 0.29 -0.33 -0.00 0.00 0.00 178.44 178.49 3ghq h GLU 135 N 0.21 0.56 -0.28 1.13 5.08 -0.76 -1.50 114.58 119.03 3ghq h GLU 135 Ca 0.11 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3ghq h GLU 135 Cb 0.07 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3ghq h GLU 135 CO -0.11 0.37 0.17 1.15 -1.00 0.00 0.00 179.01 179.59 3ghq h THR 136 N 0.58 1.05 -0.54 1.13 2.02 -0.95 -1.26 112.91 114.93 3ghq h THR 136 Ca 0.19 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.29 3ghq h THR 136 Cb 0.01 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3ghq h THR 136 CO -0.09 0.06 0.31 -0.33 0.37 0.00 0.00 175.52 175.84 3ghq h GLU 137 N 0.35 0.58 -0.57 6.66 4.39 -0.91 0.10 114.58 125.18 3ghq h GLU 137 Ca 0.11 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 3ghq h GLU 137 Cb -0.02 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 3ghq h GLU 137 CO -0.04 0.38 0.16 -0.07 -1.16 0.00 0.00 179.01 178.29 3ghq h LEU 138 N 0.60 0.80 -0.49 1.33 3.38 -0.85 -1.12 115.31 118.94 3ghq h LEU 138 Ca 0.23 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 3ghq h LEU 138 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ghq h LEU 138 CO -0.13 0.76 -0.40 0.44 0.09 0.00 0.00 178.44 179.20 3ghq h ASP 139 N 0.83 0.85 -0.84 -0.43 3.32 -0.82 -2.95 116.42 116.38 3ghq h ASP 139 Ca 0.19 -0.39 0.05 0.00 0.02 0.00 0.00 57.03 56.89 3ghq h ASP 139 Cb 0.26 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 3ghq h ASP 139 CO -0.01 1.14 0.53 -0.07 -1.72 0.00 0.00 179.24 179.12 3ghq h LEU 140 N 0.65 0.85 -0.65 1.55 3.38 -0.23 0.15 115.31 121.02 3ghq h LEU 140 Ca 0.05 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3ghq h LEU 140 Cb 0.96 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 3ghq h LEU 140 CO 0.09 0.57 0.36 0.40 0.09 0.00 0.00 178.44 179.95 3ghq h ILE 141 N 1.00 0.97 -0.32 1.22 2.04 -1.09 0.37 117.51 121.69 3ghq h ILE 141 Ca 0.35 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.90 3ghq h ILE 141 Cb 0.09 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3ghq h ILE 141 CO -0.14 0.12 -0.12 1.56 0.00 0.00 0.00 178.15 179.57 3ghq h GLN 142 N 0.67 0.65 -0.14 2.37 1.08 -1.19 -0.61 115.11 117.94 3ghq h GLN 142 Ca 0.29 -0.27 -0.20 0.00 -1.45 0.00 0.00 58.65 57.02 3ghq h GLN 142 Cb 0.18 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.59 3ghq h GLN 142 CO -0.18 0.85 -0.72 0.87 -0.95 0.00 0.00 178.83 178.70 3ghq h LYS 143 N 0.42 0.73 -0.00 1.46 1.57 -0.09 -3.28 116.57 117.37 3ghq h LYS 143 Ca 0.08 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3ghq h LYS 143 Cb 0.63 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3ghq h LYS 143 CO 0.04 1.21 -0.95 0.00 -0.57 0.00 0.00 179.45 179.18 3ghq n MET 144 N -4.01 0.14 0.00 3.15 0.00 0.06 -5.09 117.12 111.37 3ghq n MET 144 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.53 3ghq n MET 144 Cb 0.71 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.44 3ghq n MET 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ghq n GLY 145 N 1.49 -1.00 0.18 3.17 0.00 -0.24 -4.40 105.19 104.39 3ghq n GLY 145 Ca 0.04 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 3ghq n GLY 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ghq h LEU 146 N 0.00 0.48 -0.05 0.99 5.85 -1.92 -0.90 115.31 119.76 3ghq h LEU 146 Ca 0.00 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3ghq h LEU 146 Cb 0.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3ghq h LEU 146 CO 0.00 0.36 -0.06 1.56 -0.34 0.00 0.00 178.44 179.96 3ghq h GLN 147 N 0.56 -0.08 -0.49 1.25 4.20 -1.93 0.36 115.11 118.97 3ghq h GLN 147 Ca 0.15 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 3ghq h GLN 147 Cb -0.05 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3ghq h GLN 147 CO -0.03 -0.05 0.08 -0.91 -0.67 0.00 0.00 178.83 177.24 3ghq h ASN 148 N -0.08 0.72 -0.28 1.46 -0.26 -1.75 -1.77 115.58 113.62 3ghq h ASN 148 Ca 0.04 -0.14 -0.00 0.00 -0.56 0.00 0.00 56.30 55.64 3ghq h ASN 148 Cb 0.14 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 3ghq h ASN 148 CO -0.10 0.74 0.15 0.22 -1.06 0.00 0.00 177.43 177.39 3ghq h TYR 149 N 0.74 0.38 0.12 1.19 3.20 -0.35 -2.04 116.97 120.21 3ghq h TYR 149 Ca 0.16 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 3ghq h TYR 149 Cb 0.34 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 3ghq h TYR 149 CO 0.02 0.31 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.70 3ghq h LEU 150 N 0.34 -0.20 -1.48 2.82 4.07 -0.76 -1.96 115.31 118.13 3ghq h LEU 150 Ca 0.10 0.01 0.18 0.00 0.08 0.00 0.00 57.88 58.25 3ghq h LEU 150 Cb 0.05 0.06 -0.06 0.00 1.08 0.00 0.00 40.66 41.79 3ghq h LEU 150 CO -0.02 -0.13 0.57 -0.61 -1.08 0.00 0.00 178.44 177.18 3ghq h GLN 151 N -0.20 0.44 0.00 1.13 4.15 -1.18 0.34 115.11 119.79 3ghq h GLN 151 Ca -0.01 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3ghq h GLN 151 Cb 0.17 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3ghq h GLN 151 CO 0.01 0.29 0.00 0.00 -1.93 0.00 0.00 178.83 177.20 3ghq n ALA 152 N -2.50 1.96 0.78 3.38 0.00 -0.75 -2.67 120.51 120.72 3ghq n ALA 152 Ca 0.18 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.63 3ghq n ALA 152 Cb 0.62 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.84 3ghq n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ghq n GLN 153 N -1.39 1.64 -0.08 0.00 1.13 0.11 -4.65 117.38 114.15 3ghq n GLN 153 Ca 0.07 -1.64 -0.11 0.00 -1.94 0.00 0.00 57.00 53.38 3ghq n GLN 153 Cb 0.19 -1.36 -0.04 0.00 0.11 0.00 0.00 30.24 29.13 3ghq n GLN 153 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3ghq h ILE 154 N 3.73 1.24 -3.23 5.09 2.04 -1.54 0.03 117.51 124.87 3ghq h ILE 154 Ca 0.00 -0.82 -0.68 0.00 1.00 0.00 0.00 64.86 64.37 3ghq h ILE 154 Cb 0.79 1.31 -0.14 0.00 -0.74 0.00 0.00 36.82 38.05 3ghq h ILE 154 CO 0.00 0.26 -0.60 0.00 0.00 0.00 0.00 178.15 177.80 3ghq s ARG 155 N -5.10 3.02 0.62 2.37 1.70 -1.26 -3.51 118.95 116.80 3ghq s ARG 155 Ca -0.14 -0.40 -0.18 0.00 -0.47 0.00 0.00 55.73 54.55 3ghq s ARG 155 Cb 0.07 -2.83 -0.02 0.00 -0.57 0.00 0.00 34.95 31.60 3ghq s ARG 155 CO 0.74 0.70 1.21 -1.83 -1.08 0.00 0.00 175.30 175.04 3ghq s GLU 156 N -1.02 2.82 -0.18 3.89 -1.05 -1.26 -4.44 118.70 117.45 3ghq s GLU 156 Ca 0.15 1.81 -0.24 0.00 -0.15 0.00 0.00 54.97 56.53 3ghq s GLU 156 Cb -0.11 -1.91 -0.02 0.00 -0.44 0.00 0.00 34.13 31.65 3ghq s GLU 156 CO 0.04 -1.32 0.77 -2.00 0.95 0.00 0.00 175.26 173.70 3ghq s GLU 157 N -3.46 4.26 0.00 -4.83 2.12 -1.26 -5.01 118.70 110.53 3ghq s GLU 157 Ca 0.77 0.89 0.05 0.00 0.36 0.00 0.00 54.97 57.04 3ghq s GLU 157 Cb -0.30 -3.58 0.29 0.00 0.26 0.00 0.00 34.13 30.80 3ghq s GLU 157 CO 0.36 -0.31 0.76 0.41 -0.54 0.00 0.00 175.26 175.93