#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 3.86 0.79 2.12 1.02 -1.26 -4.01 119.74 122.26 3ghq s LYS 2 Ca 0.00 1.95 -0.09 0.00 0.02 0.00 0.00 55.97 57.85 3ghq s LYS 2 Cb 0.00 -4.08 0.11 0.00 -0.52 0.00 0.00 37.83 33.34 3ghq s LYS 2 CO 0.00 -1.23 1.11 0.20 -0.92 0.00 0.00 175.35 174.51 3ghq s GLY 3 N 4.49 1.71 0.17 -3.33 0.00 -0.48 -5.03 107.32 104.85 3ghq s GLY 3 Ca 0.77 -1.10 -0.31 0.00 0.00 0.00 0.00 44.72 44.08 3ghq s GLY 3 CO 0.31 -0.56 1.39 -0.35 0.00 0.00 0.00 173.10 173.89 3ghq s ASP 4 N -4.66 6.80 0.18 1.64 -1.08 -1.26 -4.93 116.67 113.36 3ghq s ASP 4 Ca 0.65 2.43 -0.13 0.00 -0.52 0.00 0.00 52.55 54.98 3ghq s ASP 4 Cb -0.08 -2.60 0.12 0.00 -1.46 0.00 0.00 42.92 38.90 3ghq s ASP 4 CO 0.47 -0.64 1.79 0.74 0.52 0.00 0.00 175.17 178.06 3ghq h THR 5 N 3.96 0.98 -0.13 1.71 2.02 -1.97 -2.39 112.91 117.09 3ghq h THR 5 Ca -0.44 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 3ghq h THR 5 Cb 1.21 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3ghq h THR 5 CO 0.83 0.10 -0.33 0.50 0.37 0.00 0.00 175.52 176.98 3ghq h LYS 6 N 0.52 0.26 -0.20 6.66 3.64 -2.00 -1.11 116.57 124.35 3ghq h LYS 6 Ca 0.21 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3ghq h LYS 6 Cb 0.10 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3ghq h LYS 6 CO -0.14 0.57 0.12 0.28 -2.27 0.00 0.00 179.45 178.02 3ghq h VAL 7 N 0.23 1.07 -0.65 2.00 2.07 -1.86 -1.42 116.25 117.68 3ghq h VAL 7 Ca 0.03 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.46 3ghq h VAL 7 Cb 0.70 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 3ghq h VAL 7 CO 0.05 0.07 0.33 0.40 0.02 0.00 0.00 177.57 178.44 3ghq h ILE 8 N 0.24 0.89 -0.72 4.57 2.04 -0.93 0.32 117.51 123.93 3ghq h ILE 8 Ca 0.07 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3ghq h ILE 8 Cb 0.01 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 3ghq h ILE 8 CO -0.01 0.11 0.44 0.78 0.00 0.00 0.00 178.15 179.46 3ghq h ASN 9 N 0.59 0.87 -0.22 1.72 2.35 -0.84 0.53 115.58 120.57 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 0.27 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3ghq h ASN 9 CO -0.23 0.67 0.11 1.88 -1.65 0.00 0.00 177.43 178.21 3ghq h TYR 10 N 0.98 0.20 -0.99 1.19 0.05 -0.56 0.14 116.97 117.99 3ghq h TYR 10 Ca 0.26 0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.10 3ghq h TYR 10 Cb -0.04 -0.06 -0.06 0.00 1.01 0.00 0.00 36.73 37.58 3ghq h TYR 10 CO -0.01 0.11 0.64 -0.07 -1.05 0.00 0.00 178.16 177.78 3ghq h LEU 11 N 0.23 1.04 -0.66 3.88 4.07 0.27 0.19 115.31 124.34 3ghq h LEU 11 Ca 0.09 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.93 3ghq h LEU 11 Cb 0.02 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 3ghq h LEU 11 CO -0.06 0.68 -0.24 0.78 -1.08 0.00 0.00 178.44 178.51 3ghq h ASN 12 N 1.19 0.81 -0.36 -0.43 2.35 -0.48 0.17 115.58 118.83 3ghq h ASN 12 Ca 0.42 -0.30 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3ghq h ASN 12 Cb 0.11 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3ghq h ASN 12 CO -0.16 1.01 -0.00 0.50 -1.65 0.00 0.00 177.43 177.13 3ghq h LYS 13 N 0.68 0.64 -0.40 0.81 3.64 0.23 0.61 116.57 122.77 3ghq h LYS 13 Ca 0.09 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 3ghq h LYS 13 Cb 0.76 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 3ghq h LYS 13 CO 0.06 0.75 0.16 -0.07 -2.27 0.00 0.00 179.45 178.08 3ghq h LEU 14 N 0.45 0.56 -1.06 5.20 3.38 -0.51 -1.76 115.31 121.56 3ghq h LEU 14 Ca 0.10 -0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.05 3ghq h LEU 14 Cb 0.47 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 3ghq h LEU 14 CO 0.02 0.58 0.62 0.25 0.09 0.00 0.00 178.44 180.00 3ghq h LEU 15 N 0.51 0.83 -0.62 1.67 5.85 -0.44 -0.10 115.31 123.00 3ghq h LEU 15 Ca 0.13 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.95 3ghq h LEU 15 Cb 0.20 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3ghq h LEU 15 CO -0.01 0.38 0.38 1.23 -0.34 0.00 0.00 178.44 180.08 3ghq h GLY 16 N 0.86 0.89 0.99 3.75 0.00 -0.09 -0.34 103.07 109.13 3ghq h GLY 16 Ca 0.52 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3ghq h GLY 16 CO -0.29 0.23 0.25 3.43 0.00 0.00 0.00 176.54 180.16 3ghq h ASN 17 N 0.74 0.48 -0.52 0.19 2.35 -0.24 -2.36 115.58 116.22 3ghq h ASN 17 Ca 0.25 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3ghq h ASN 17 Cb 0.04 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3ghq h ASN 17 CO -0.11 0.37 0.25 -0.33 -1.65 0.00 0.00 177.43 175.96 3ghq h GLU 18 N 0.54 0.75 -0.61 0.81 4.39 -0.72 -1.03 114.58 118.72 3ghq h GLU 18 Ca 0.15 -0.11 0.07 0.00 0.34 0.00 0.00 59.36 59.81 3ghq h GLU 18 Cb -0.03 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.43 3ghq h GLU 18 CO -0.03 0.62 0.28 -0.07 -1.16 0.00 0.00 179.01 178.65 3ghq h LEU 19 N 0.70 0.36 0.15 1.33 4.07 -0.92 0.35 115.31 121.34 3ghq h LEU 19 Ca 0.18 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 3ghq h LEU 19 Cb 0.11 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3ghq h LEU 19 CO -0.02 0.22 -0.07 0.58 -1.08 0.00 0.00 178.44 178.07 3ghq h VAL 20 N 0.51 0.89 -0.95 1.22 2.07 -0.88 -2.97 116.25 116.13 3ghq h VAL 20 Ca 0.29 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3ghq h VAL 20 Cb 0.28 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3ghq h VAL 20 CO -0.24 0.04 0.63 0.00 0.02 0.00 0.00 177.57 178.02 3ghq h ALA 21 N 0.55 1.33 -0.10 1.67 0.00 -0.61 -0.54 119.26 121.57 3ghq h ALA 21 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3ghq h ALA 21 Cb 0.22 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3ghq h ALA 21 CO 0.03 0.61 -0.17 0.82 0.00 0.00 0.00 179.25 180.55 3ghq h ILE 22 N 1.28 0.57 -0.19 0.00 2.04 -0.22 0.16 117.51 121.15 3ghq h ILE 22 Ca 0.35 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.15 3ghq h ILE 22 Cb -0.12 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3ghq h ILE 22 CO -0.08 0.00 -0.12 0.78 0.00 0.00 0.00 178.15 178.73 3ghq h ASN 23 N -0.23 0.43 -0.70 1.72 -0.26 -1.25 -0.97 115.58 114.34 3ghq h ASN 23 Ca 0.09 -0.43 -0.07 0.00 -0.56 0.00 0.00 56.30 55.33 3ghq h ASN 23 Cb 0.35 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.46 3ghq h ASN 23 CO -0.23 0.77 0.18 -0.61 -1.06 0.00 0.00 177.43 176.48 3ghq h GLN 24 N 0.10 1.11 -0.31 0.81 4.15 -0.92 -0.64 115.11 119.40 3ghq h GLN 24 Ca 0.04 -0.26 -0.13 0.00 0.77 0.00 0.00 58.65 59.07 3ghq h GLN 24 Cb 0.62 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 3ghq h GLN 24 CO 0.03 0.97 -0.33 1.88 -1.93 0.00 0.00 178.83 179.46 3ghq h TYR 25 N 1.04 0.93 -0.19 3.99 0.05 -0.63 -1.10 116.97 121.06 3ghq h TYR 25 Ca 0.22 -0.28 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3ghq h TYR 25 Cb 0.36 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 3ghq h TYR 25 CO 0.03 1.06 0.09 0.35 -1.05 0.00 0.00 178.16 178.63 3ghq h PHE 26 N 0.54 0.28 -0.13 4.88 3.57 -0.85 0.10 116.94 125.33 3ghq h PHE 26 Ca 0.05 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3ghq h PHE 26 Cb 0.91 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3ghq h PHE 26 CO 0.07 0.30 -0.03 1.25 -2.23 0.00 0.00 178.31 177.67 3ghq h LEU 27 N 0.17 -0.11 -0.39 0.59 6.46 -1.13 -1.88 115.31 119.02 3ghq h LEU 27 Ca 0.07 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.92 3ghq h LEU 27 Cb 0.13 0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 3ghq h LEU 27 CO -0.01 -0.04 0.07 0.45 -0.62 0.00 0.00 178.44 178.29 3ghq h HIS 28 N 0.01 0.11 -0.49 1.25 3.86 -0.99 0.06 115.15 118.96 3ghq h HIS 28 Ca 0.06 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.39 3ghq h HIS 28 Cb 0.09 0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.47 3ghq h HIS 28 CO -0.16 0.00 -0.17 0.00 0.86 0.00 0.00 177.93 178.46 3ghq h ALA 29 N 1.30 0.23 0.00 2.45 0.00 -0.43 0.55 119.26 123.37 3ghq h ALA 29 Ca 0.19 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3ghq h ALA 29 Cb 0.23 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ghq h ALA 29 CO -0.26 -0.50 -0.13 0.00 0.00 0.00 0.00 179.25 178.37 3ghq h ARG 30 N -0.06 0.00 0.00 0.00 2.47 -0.60 -0.68 114.38 115.51 3ghq h ARG 30 Ca 0.23 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.95 3ghq h ARG 30 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 3ghq h ARG 30 CO -0.53 0.13 -0.00 0.52 0.56 0.00 0.00 179.97 180.64 3ghq h MET 31 N 0.00 -0.00 -0.73 0.04 2.86 0.04 -0.29 114.93 116.85 3ghq h MET 31 Ca -0.00 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 3ghq h MET 31 Cb 1.00 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.58 3ghq h MET 31 CO 0.02 0.38 0.35 0.74 1.06 0.00 0.00 176.91 179.46 3ghq h PHE 32 N -0.38 0.62 -0.36 -0.22 0.05 -0.70 0.14 116.94 116.09 3ghq h PHE 32 Ca -0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 3ghq h PHE 32 Cb 0.38 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.15 3ghq h PHE 32 CO 0.06 0.19 0.23 -0.22 -0.18 0.00 0.00 178.31 178.39 3ghq h LYS 33 N 0.57 0.48 -0.67 1.51 3.64 -0.94 -0.13 116.57 121.03 3ghq h LYS 33 Ca 0.37 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3ghq h LYS 33 Cb 0.45 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3ghq h LYS 33 CO -0.31 0.33 0.44 -0.97 -2.27 0.00 0.00 179.45 176.67 3ghq h ASN 34 N 0.49 0.78 0.14 4.20 -0.73 -0.50 -0.99 115.58 118.95 3ghq h ASN 34 Ca 0.13 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.27 3ghq h ASN 34 Cb -0.04 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.35 3ghq h ASN 34 CO -0.03 0.57 0.00 -0.26 -0.37 0.00 0.00 177.43 177.35 3ghq h PHE 35 N 0.91 0.00 0.00 0.67 0.04 -0.11 -3.46 116.94 115.00 3ghq h PHE 35 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 3ghq h PHE 35 Cb -0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.06 3ghq h PHE 35 CO -0.02 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.10 3ghq n GLY 36 N -1.00 0.74 2.72 -1.45 0.00 -0.30 -4.97 105.19 100.93 3ghq n GLY 36 Ca -0.02 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 7.17 -0.34 0.99 4.32 -0.22 -4.46 117.00 124.46 3ghq n LEU 37 Ca 0.00 -4.68 0.21 0.00 -0.02 0.00 0.00 56.01 51.52 3ghq n LEU 37 Cb 0.00 -1.46 0.46 0.00 -1.62 0.00 0.00 43.42 40.80 3ghq n LEU 37 CO 0.00 1.60 1.19 0.50 -1.22 0.00 0.00 177.39 179.46 3ghq h LYS 38 N 5.39 0.46 -0.24 3.23 1.63 -1.13 -1.10 116.57 124.80 3ghq h LYS 38 Ca 0.51 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 60.13 3ghq h LYS 38 Cb 0.52 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 3ghq h LYS 38 CO 1.61 0.30 -0.48 -0.09 -3.45 0.00 0.00 179.45 177.34 3ghq h ARG 39 N 0.47 0.65 -0.01 1.90 1.12 -1.36 -1.87 114.38 115.28 3ghq h ARG 39 Ca 0.63 -0.37 -0.18 0.00 -1.11 0.00 0.00 59.98 58.94 3ghq h ARG 39 Cb 1.41 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.38 3ghq h ARG 39 CO -0.38 0.99 -0.82 -0.07 -3.11 0.00 0.00 179.97 176.58 3ghq h LEU 40 N 0.52 0.23 -0.44 3.80 4.07 -1.42 -2.44 115.31 119.63 3ghq h LEU 40 Ca 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 3ghq h LEU 40 Cb 1.02 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.68 3ghq h LEU 40 CO 0.10 0.95 0.22 -1.13 -1.08 0.00 0.00 178.44 177.49 3ghq h ASN 41 N 0.11 0.56 -0.03 -0.43 -1.24 -1.15 -0.93 115.58 112.47 3ghq h ASN 41 Ca -0.03 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 56.86 3ghq h ASN 41 Cb 1.42 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 40.32 3ghq h ASN 41 CO 0.12 0.52 0.01 0.44 -1.29 0.00 0.00 177.43 177.24 3ghq h ASP 42 N 0.57 0.04 -0.16 1.15 3.32 -1.24 -0.21 116.42 119.89 3ghq h ASP 42 Ca 0.15 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3ghq h ASP 42 Cb 0.10 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3ghq h ASP 42 CO -0.02 0.16 0.05 0.58 -1.72 0.00 0.00 179.24 178.29 3ghq h VAL 43 N -0.08 1.19 -0.53 -1.35 2.07 -1.43 -1.33 116.25 114.80 3ghq h VAL 43 Ca 0.01 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 3ghq h VAL 43 Cb 0.13 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3ghq h VAL 43 CO -0.00 0.18 0.01 -0.33 0.02 0.00 0.00 177.57 177.45 3ghq h GLU 44 N 0.07 0.88 -0.03 1.57 4.39 -1.13 -1.27 114.58 119.07 3ghq h GLU 44 Ca 0.05 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.53 3ghq h GLU 44 Cb 0.24 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 3ghq h GLU 44 CO -0.00 0.87 -0.10 -0.92 -1.16 0.00 0.00 179.01 177.70 3ghq h TYR 45 N 0.82 -0.26 -0.97 4.33 3.20 -0.97 -0.10 116.97 123.03 3ghq h TYR 45 Ca 0.16 0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.23 3ghq h TYR 45 Cb 0.47 0.12 -0.11 0.00 1.54 0.00 0.00 36.73 38.76 3ghq h TYR 45 CO 0.03 -0.16 0.56 1.25 -1.64 0.00 0.00 178.16 178.20 3ghq h HIS 46 N -0.16 0.98 -0.01 -3.82 2.76 -0.58 -1.19 115.15 113.13 3ghq h HIS 46 Ca 0.05 0.04 -0.19 0.00 -2.20 0.00 0.00 60.37 58.06 3ghq h HIS 46 Cb 0.23 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 3ghq h HIS 46 CO -0.18 0.18 -0.84 0.93 -1.30 0.00 0.00 177.93 176.72 3ghq h GLU 47 N 0.69 0.20 -0.45 5.26 5.08 -0.53 -0.46 114.58 124.37 3ghq h GLU 47 Ca 0.57 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.77 3ghq h GLU 47 Cb 0.91 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 3ghq h GLU 47 CO -0.40 0.93 0.18 1.03 -1.00 0.00 0.00 179.01 179.74 3ghq h SER 48 N 0.12 0.20 -0.85 1.42 0.87 0.13 -1.86 113.55 113.57 3ghq h SER 48 Ca -0.04 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 3ghq h SER 48 Cb 1.46 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 63.37 3ghq h SER 48 CO 0.13 0.15 0.53 0.40 -0.53 0.00 0.00 176.83 177.51 3ghq h ILE 49 N 0.36 1.03 -0.54 2.23 1.08 -0.92 -1.14 117.51 119.61 3ghq h ILE 49 Ca 0.21 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3ghq h ILE 49 Cb 0.19 -0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 33.90 3ghq h ILE 49 CO -0.20 0.17 0.36 -0.78 -0.69 0.00 0.00 178.15 177.01 3ghq h ASP 50 N 0.95 0.63 0.58 1.72 3.58 -0.64 -1.11 116.42 122.12 3ghq h ASP 50 Ca 0.38 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.72 3ghq h ASP 50 Cb 0.19 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 3ghq h ASP 50 CO -0.18 0.46 -0.42 -0.33 -2.88 0.00 0.00 179.24 175.89 3ghq h GLU 51 N 0.74 0.00 -0.35 0.28 4.39 -0.85 -2.01 114.58 116.78 3ghq h GLU 51 Ca 0.20 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 3ghq h GLU 51 Cb -0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3ghq h GLU 51 CO -0.04 0.42 0.13 0.52 -1.16 0.00 0.00 179.01 178.88 3ghq h MET 52 N 0.00 0.53 -0.95 2.33 2.86 -0.47 -0.18 114.93 119.05 3ghq h MET 52 Ca -0.00 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.62 3ghq h MET 52 Cb 0.82 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.33 3ghq h MET 52 CO 0.05 0.53 0.60 0.87 1.06 0.00 0.00 176.91 180.02 3ghq h LYS 53 N 0.42 1.01 -0.10 1.72 1.57 -0.74 -0.18 116.57 120.28 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 0.20 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3ghq h LYS 53 CO -0.01 0.67 0.02 0.45 -0.57 0.00 0.00 179.45 180.01 3ghq h HIS 54 N 1.04 0.16 -0.44 -1.35 3.86 -0.95 -1.70 115.15 115.77 3ghq h HIS 54 Ca 0.43 -0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.69 3ghq h HIS 54 Cb 0.27 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.63 3ghq h HIS 54 CO -0.02 0.33 0.08 0.00 0.86 0.00 0.00 177.93 179.18 3ghq h ALA 55 N 0.81 0.48 -0.61 2.45 0.00 -0.49 -0.85 119.26 121.06 3ghq h ALA 55 Ca 0.03 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3ghq h ALA 55 Cb 0.25 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3ghq h ALA 55 CO 0.00 -0.32 0.29 0.22 0.00 0.00 0.00 179.25 179.44 3ghq h ASP 56 N 0.21 0.39 -0.72 0.00 3.58 -0.93 0.47 116.42 119.42 3ghq h ASP 56 Ca 0.22 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.67 3ghq h ASP 56 Cb 0.28 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 3ghq h ASP 56 CO -0.29 0.25 0.26 0.03 -2.88 0.00 0.00 179.24 176.60 3ghq h ARG 57 N 0.53 1.09 -0.40 0.28 3.08 -0.23 -0.96 114.38 117.77 3ghq h ARG 57 Ca 0.29 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3ghq h ARG 57 Cb 0.25 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3ghq h ARG 57 CO -0.22 0.92 0.14 1.88 -1.07 0.00 0.00 179.97 181.61 3ghq h TYR 58 N 1.04 0.63 -0.78 3.04 0.05 -0.53 -1.80 116.97 118.62 3ghq h TYR 58 Ca 0.24 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.96 3ghq h TYR 58 Cb 0.26 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.77 3ghq h TYR 58 CO 0.02 0.58 0.50 0.82 -1.05 0.00 0.00 178.16 179.03 3ghq h ILE 59 N 0.51 1.21 -0.21 -2.88 2.04 -0.41 0.31 117.51 118.07 3ghq h ILE 59 Ca 0.13 -0.41 -0.16 0.00 1.00 0.00 0.00 64.86 65.42 3ghq h ILE 59 Cb 0.23 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3ghq h ILE 59 CO -0.01 0.21 -0.51 -0.33 0.00 0.00 0.00 178.15 177.51 3ghq h GLU 60 N 1.07 0.59 -0.16 2.37 5.08 -1.05 -1.92 114.58 120.55 3ghq h GLU 60 Ca 0.28 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3ghq h GLU 60 Cb -0.09 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3ghq h GLU 60 CO -0.06 0.96 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.69 3ghq h ARG 61 N 0.46 0.37 -0.59 2.33 9.65 -0.75 -0.31 114.38 125.53 3ghq h ARG 61 Ca 0.02 -0.18 0.03 0.00 -1.10 0.00 0.00 59.98 58.75 3ghq h ARG 61 Cb 1.05 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.59 3ghq h ARG 61 CO 0.10 0.72 0.35 0.82 2.80 0.00 0.00 179.97 184.77 3ghq h ILE 62 N 0.02 1.04 -0.71 1.20 2.04 -0.29 0.94 117.51 121.75 3ghq h ILE 62 Ca 0.03 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 3ghq h ILE 62 Cb 0.64 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3ghq h ILE 62 CO 0.03 0.12 0.28 -0.07 0.00 0.00 0.00 178.15 178.52 3ghq h LEU 63 N 0.68 0.98 -0.49 1.44 4.07 -1.28 0.15 115.31 120.87 3ghq h LEU 63 Ca 0.25 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 3ghq h LEU 63 Cb 0.06 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.53 3ghq h LEU 63 CO -0.12 0.88 0.21 0.15 -1.08 0.00 0.00 178.44 178.48 3ghq h PHE 64 N 1.01 0.74 0.00 1.13 3.57 -0.12 -0.99 116.94 122.28 3ghq h PHE 64 Ca 0.23 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3ghq h PHE 64 Cb 0.22 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3ghq h PHE 64 CO 0.02 0.61 0.00 1.28 -2.23 0.00 0.00 178.31 177.99 3ghq n LEU 65 N -4.57 0.00 -0.83 0.59 4.77 0.24 -2.54 117.00 114.66 3ghq n LEU 65 Ca 0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.92 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 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.72 3ghq n GLU 66 N -0.83 -0.59 -3.00 3.23 1.02 -0.22 -1.39 120.64 118.86 3ghq n GLU 66 Ca 0.14 0.42 -0.20 0.00 -0.02 0.00 0.00 57.16 57.51 3ghq n GLU 66 Cb 0.06 -4.33 0.07 0.00 -0.02 0.00 0.00 31.44 27.23 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 -1.16 1.88 3.26 0.62 0.00 0.37 -4.97 105.19 105.20 3ghq n GLY 67 Ca -0.09 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.32 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 5.08 0.30 0.99 1.02 -1.26 -4.24 118.68 120.57 3ghq s LEU 68 Ca 0.63 -1.51 -0.30 0.00 0.02 0.00 0.00 54.13 52.97 3ghq s LEU 68 Cb -0.05 -1.96 -0.11 0.00 0.02 0.00 0.00 46.19 44.08 3ghq s LEU 68 CO 0.40 -0.52 1.57 -2.84 0.02 0.00 0.00 176.35 174.98 3ghq s PRO 69 N 1.40 4.13 -0.42 1.29 0.02 -1.26 -4.94 135.00 135.22 3ghq s PRO 69 Ca 0.03 2.56 -0.08 0.00 0.02 0.00 0.00 61.00 63.53 3ghq s PRO 69 Cb -0.23 -3.02 0.09 0.00 0.02 0.00 0.00 34.50 31.36 3ghq s PRO 69 CO 0.02 -0.61 0.26 1.21 -0.33 0.00 0.00 177.00 177.55 3ghq s ASN 70 N 0.40 5.58 -0.04 2.53 3.84 -1.26 -4.87 114.94 121.12 3ghq s ASN 70 Ca 0.62 -1.62 0.14 0.00 0.21 0.00 0.00 52.86 52.21 3ghq s ASN 70 Cb -0.47 -1.96 0.42 0.00 -0.55 0.00 0.00 41.25 38.68 3ghq s ASN 70 CO 0.50 -0.55 1.35 0.18 -2.79 0.00 0.00 177.10 175.78 3ghq n LEU 71 N 4.87 3.37 0.02 3.21 4.32 -1.26 -4.62 117.00 126.92 3ghq n LEU 71 Ca -0.09 -2.23 -0.22 0.00 -0.02 0.00 0.00 56.01 53.45 3ghq n LEU 71 Cb 0.42 -0.35 -0.14 0.00 -1.62 0.00 0.00 43.42 41.74 3ghq n LEU 71 CO 0.38 0.75 -0.69 -0.61 -1.22 0.00 0.00 177.39 176.01 3ghq h GLN 72 N 2.37 0.30 -5.91 3.23 5.75 -2.02 -3.45 115.11 115.38 3ghq h GLN 72 Ca 0.00 -0.51 -0.57 0.00 -0.15 0.00 0.00 58.65 57.42 3ghq h GLN 72 Cb 0.96 0.19 -0.07 0.00 1.07 0.00 0.00 27.48 29.63 3ghq h GLN 72 CO 0.06 1.24 -0.06 -0.51 -2.65 0.00 0.00 178.83 176.92 3ghq s ASP 73 N -7.12 6.84 -0.15 -0.69 1.01 -1.26 -5.05 116.67 110.25 3ghq s ASP 73 Ca -0.20 1.00 0.01 0.00 0.71 0.00 0.00 52.55 54.06 3ghq s ASP 73 Cb 0.06 -2.33 0.02 0.00 1.01 0.00 0.00 42.92 41.68 3ghq s ASP 73 CO 0.79 0.02 -0.17 -0.22 0.21 0.00 0.00 175.17 175.80 3ghq s LEU 74 N 0.33 1.88 0.00 1.23 2.96 -1.26 -4.92 118.68 118.90 3ghq s LEU 74 Ca 0.30 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.55 3ghq s LEU 74 Cb -0.17 -1.28 0.17 0.00 0.50 0.00 0.00 46.19 45.41 3ghq s LEU 74 CO 0.14 -0.01 0.59 0.61 -1.32 0.00 0.00 176.35 176.36 3ghq n GLY 75 N 4.51 -2.70 3.66 7.98 0.00 -1.26 -4.94 105.19 112.45 3ghq n GLY 75 Ca -0.19 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 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 -4.34 4.24 0.24 1.61 2.20 -1.26 -4.96 119.74 117.47 3ghq s LYS 76 Ca 0.39 1.73 -0.30 0.00 -0.36 0.00 0.00 55.97 57.43 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 0.30 -0.68 1.03 -0.51 -0.36 0.00 0.00 175.35 175.12 3ghq s LEU 77 N 3.35 4.58 -0.26 5.43 1.02 -1.26 -5.05 118.68 126.49 3ghq s LEU 77 Ca 0.57 2.10 0.01 0.00 0.02 0.00 0.00 54.13 56.83 3ghq s LEU 77 Cb -0.24 -3.62 0.07 0.00 0.02 0.00 0.00 46.19 42.43 3ghq s LEU 77 CO 0.17 -0.03 -0.04 0.21 0.02 0.00 0.00 176.35 176.69 3ghq s ASN 78 N -0.86 4.05 -0.17 2.29 2.47 -1.26 -5.04 114.94 116.42 3ghq s ASN 78 Ca 0.44 -1.36 -0.14 0.00 0.42 0.00 0.00 52.86 52.22 3ghq s ASN 78 Cb -0.29 -1.25 -0.10 0.00 -1.45 0.00 0.00 41.25 38.16 3ghq s ASN 78 CO 0.36 -0.26 0.01 0.40 -3.72 0.00 0.00 177.10 173.89 3ghq h ILE 79 N 6.66 0.41 0.00 -5.21 1.08 -1.96 -3.45 117.51 115.03 3ghq h ILE 79 Ca -0.16 -1.51 0.00 0.00 -0.39 0.00 0.00 64.86 62.80 3ghq h ILE 79 Cb 1.06 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 3ghq h ILE 79 CO 0.44 0.14 0.00 0.61 -0.69 0.00 0.00 178.15 178.64 3ghq n GLY 80 N 1.55 -2.14 0.03 5.37 0.00 -1.26 -4.44 105.19 104.30 3ghq n GLY 80 Ca -0.17 -1.49 -0.04 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.03 2.00 -4.24 1.61 1.02 -1.26 -4.87 120.64 112.88 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 -1.14 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 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 -4.05 4.59 0.16 1.62 -4.77 -1.26 -5.00 116.67 107.96 3ghq s ASP 82 Ca -0.05 -0.69 -0.28 0.00 -3.30 0.00 0.00 52.55 48.23 3ghq s ASP 82 Cb 0.02 -0.81 -0.01 0.00 -1.09 0.00 0.00 42.92 41.03 3ghq s ASP 82 CO 0.20 -0.10 1.56 0.58 0.70 0.00 0.00 175.17 178.11 3ghq h VAL 83 N 1.77 0.05 -0.09 2.11 2.07 -1.99 -0.54 116.25 119.64 3ghq h VAL 83 Ca -0.44 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.11 3ghq h VAL 83 Cb 1.25 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3ghq h VAL 83 CO 0.62 0.00 -0.14 -0.08 0.02 0.00 0.00 177.57 177.99 3ghq h GLU 84 N -0.24 -0.18 -0.92 1.57 4.81 -1.99 0.82 114.58 118.45 3ghq h GLU 84 Ca 0.15 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.48 3ghq h GLU 84 Cb 0.56 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 3ghq h GLU 84 CO -0.70 -0.12 0.60 1.49 -0.73 0.00 0.00 179.01 179.54 3ghq h GLU 85 N -0.19 0.97 -0.09 1.92 4.81 -1.81 0.11 114.58 120.30 3ghq h GLU 85 Ca 0.08 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.01 3ghq h GLU 85 Cb 0.30 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.47 3ghq h GLU 85 CO -0.20 0.64 -0.88 0.00 -0.73 0.00 0.00 179.01 177.84 3ghq h MET 86 N 1.00 0.72 -0.63 1.92 -0.00 -0.16 -1.23 114.93 116.54 3ghq h MET 86 Ca 0.41 -0.66 -0.04 0.00 -0.00 0.00 0.00 59.70 59.41 3ghq h MET 86 Cb 0.29 0.16 -0.03 0.00 -0.00 0.00 0.00 31.60 32.02 3ghq h MET 86 CO -0.17 1.26 0.25 -0.07 -0.00 0.00 0.00 176.91 178.18 3ghq h LEU 87 N 0.46 0.87 -1.06 -0.10 4.07 -0.25 -2.16 115.31 117.15 3ghq h LEU 87 Ca -0.08 -0.17 -0.06 0.00 0.08 0.00 0.00 57.88 57.65 3ghq h LEU 87 Cb 1.52 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 43.01 3ghq h LEU 87 CO 0.18 0.81 0.04 -0.09 -1.08 0.00 0.00 178.44 178.29 3ghq h ARG 88 N 0.88 0.70 -0.52 1.13 2.43 -0.71 -0.88 114.38 117.42 3ghq h ARG 88 Ca 0.21 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3ghq h ARG 88 Cb 0.21 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3ghq h ARG 88 CO -0.02 0.70 -0.11 1.03 -1.51 0.00 0.00 179.97 180.06 3ghq h SER 89 N 0.67 0.99 -0.66 -3.80 0.87 -0.82 -0.90 113.55 109.91 3ghq h SER 89 Ca 0.14 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 3ghq h SER 89 Cb 0.36 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3ghq h SER 89 CO 0.01 1.11 0.35 0.44 -0.53 0.00 0.00 176.83 178.21 3ghq h ASP 90 N 0.85 0.83 -0.16 6.23 3.45 -0.74 -2.16 116.42 124.72 3ghq h ASP 90 Ca 0.13 -0.10 -0.00 0.00 0.43 0.00 0.00 57.03 57.49 3ghq h ASP 90 Cb 0.67 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 3ghq h ASP 90 CO 0.05 0.70 0.10 0.25 -1.57 0.00 0.00 179.24 178.77 3ghq h LEU 91 N 0.90 0.19 -1.35 1.55 5.85 -0.89 -1.34 115.31 120.23 3ghq h LEU 91 Ca 0.23 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.97 3ghq h LEU 91 Cb 0.06 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3ghq h LEU 91 CO -0.03 0.18 0.49 0.00 -0.34 0.00 0.00 178.44 178.74 3ghq h ALA 92 N 1.02 1.67 -0.27 1.25 0.00 -1.03 -0.89 119.26 121.02 3ghq h ALA 92 Ca 0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3ghq h ALA 92 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ghq h ALA 92 CO -0.01 0.21 -0.47 1.25 0.00 0.00 0.00 179.25 180.22 3ghq h LEU 93 N 0.79 0.79 -0.25 0.00 5.85 -0.91 -1.61 115.31 119.97 3ghq h LEU 93 Ca 0.32 -0.39 -0.19 0.00 0.84 0.00 0.00 57.88 58.46 3ghq h LEU 93 Cb 0.25 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3ghq h LEU 93 CO -0.11 1.13 -0.60 -0.08 -0.34 0.00 0.00 178.44 178.45 3ghq h GLU 94 N 0.57 0.85 -0.78 1.25 4.57 -0.78 -1.19 114.58 119.07 3ghq h GLU 94 Ca 0.03 -0.58 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 3ghq h GLU 94 Cb 1.04 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 3ghq h GLU 94 CO 0.10 1.20 0.43 -0.07 -1.18 0.00 0.00 179.01 179.49 3ghq h LEU 95 N 0.62 0.97 -0.98 1.64 4.07 -1.09 0.66 115.31 121.19 3ghq h LEU 95 Ca -0.00 -0.09 -0.09 0.00 0.08 0.00 0.00 57.88 57.77 3ghq h LEU 95 Cb 1.21 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 3ghq h LEU 95 CO 0.13 0.78 -0.27 0.44 -1.08 0.00 0.00 178.44 178.44 3ghq h ASP 96 N 1.07 0.42 -0.14 -0.43 3.32 -1.02 -2.52 116.42 117.12 3ghq h ASP 96 Ca 0.27 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 3ghq h ASP 96 Cb 0.03 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3ghq h ASP 96 CO -0.04 0.68 -0.52 1.23 -1.72 0.00 0.00 179.24 178.86 3ghq h GLY 97 N 1.03 0.79 1.35 2.75 0.00 -0.89 -2.57 103.07 105.54 3ghq h GLY 97 Ca 0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 47.33 46.44 3ghq h GLY 97 CO 0.05 0.81 0.17 0.00 0.00 0.00 0.00 176.54 177.57 3ghq h ALA 98 N 0.85 1.27 -0.02 3.60 0.00 -0.73 -1.58 119.26 122.63 3ghq h ALA 98 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ghq h ALA 98 Cb 1.10 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ghq h ALA 98 CO 0.11 0.52 0.01 -0.22 0.00 0.00 0.00 179.25 179.67 3ghq h LYS 99 N 0.80 0.02 -0.48 0.00 3.64 -1.33 -0.19 116.57 119.03 3ghq h LYS 99 Ca 0.18 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3ghq h LYS 99 Cb 0.23 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3ghq h LYS 99 CO -0.01 0.01 0.09 -0.91 -2.27 0.00 0.00 179.45 176.37 3ghq h ASN 100 N 0.02 0.69 -0.29 4.20 -0.26 -1.18 -2.40 115.58 116.35 3ghq h ASN 100 Ca 0.01 -0.12 -0.02 0.00 -0.56 0.00 0.00 56.30 55.61 3ghq h ASN 100 Cb 0.01 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 3ghq h ASN 100 CO -0.01 0.70 0.12 -0.07 -1.06 0.00 0.00 177.43 177.11 3ghq h LEU 101 N 0.71 0.40 -0.64 1.61 3.38 -0.97 -0.11 115.31 119.68 3ghq h LEU 101 Ca 0.16 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3ghq h LEU 101 Cb 0.30 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3ghq h LEU 101 CO 0.00 0.44 0.37 0.03 0.09 0.00 0.00 178.44 179.38 3ghq h ARG 102 N 0.33 0.69 -0.25 1.13 3.08 -0.71 0.11 114.38 118.75 3ghq h ARG 102 Ca 0.10 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3ghq h ARG 102 Cb 0.16 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3ghq h ARG 102 CO -0.01 0.46 0.05 1.49 -1.07 0.00 0.00 179.97 180.89 3ghq h GLU 103 N 0.71 0.41 -0.77 0.04 4.81 -1.23 -2.78 114.58 115.77 3ghq h GLU 103 Ca 0.27 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 3ghq h GLU 103 Cb 0.10 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3ghq h GLU 103 CO -0.14 0.52 0.28 0.00 -0.73 0.00 0.00 179.01 178.94 3ghq h ALA 104 N 0.87 1.01 -0.70 2.92 0.00 -0.52 -2.61 119.26 120.22 3ghq h ALA 104 Ca 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3ghq h ALA 104 Cb 0.30 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ghq h ALA 104 CO 0.00 0.66 0.39 0.82 0.00 0.00 0.00 179.25 181.12 3ghq h ILE 105 N 1.13 1.21 -0.79 0.00 2.04 -0.92 -0.23 117.51 119.95 3ghq h ILE 105 Ca 0.25 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 3ghq h ILE 105 Cb 0.25 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3ghq h ILE 105 CO -0.02 0.23 0.31 1.23 0.00 0.00 0.00 178.15 179.91 3ghq h GLY 106 N 0.97 1.28 0.79 5.37 0.00 -1.31 -2.31 103.07 107.85 3ghq h GLY 106 Ca 0.25 -0.70 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 3ghq h GLY 106 CO -0.04 0.66 -0.41 -1.82 0.00 0.00 0.00 176.54 174.93 3ghq h TYR 107 N 1.16 0.59 -0.86 5.60 3.20 -1.05 -2.49 116.97 123.12 3ghq h TYR 107 Ca 0.26 -0.25 0.12 0.00 3.14 0.00 0.00 58.73 62.00 3ghq h TYR 107 Cb 0.22 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.32 3ghq h TYR 107 CO 0.02 1.01 0.47 0.00 -1.64 0.00 0.00 178.16 178.02 3ghq h ALA 108 N 0.46 1.27 -0.74 1.82 0.00 -1.01 0.34 119.26 121.39 3ghq h ALA 108 Ca -0.02 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3ghq h ALA 108 Cb 1.05 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 3ghq h ALA 108 CO 0.08 0.02 0.46 0.22 0.00 0.00 0.00 179.25 180.03 3ghq h ASP 109 N 0.73 0.74 1.82 0.00 1.82 -1.33 0.10 116.42 120.30 3ghq h ASP 109 Ca 0.44 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.09 3ghq h ASP 109 Cb 0.53 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.38 3ghq h ASP 109 CO -0.31 0.50 0.00 0.77 -1.61 0.00 0.00 179.24 178.60 3ghq h SER 110 N 0.88 0.00 -0.71 2.28 4.64 -0.48 -1.81 113.55 118.35 3ghq h SER 110 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3ghq h SER 110 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3ghq h SER 110 CO -0.13 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.16 3ghq n VAL 111 N -3.08 1.11 -1.14 0.95 0.24 -0.79 -4.96 118.33 110.66 3ghq n VAL 111 Ca 0.03 -1.00 -0.05 0.00 -2.04 0.00 0.00 64.34 61.29 3ghq n VAL 111 Cb 0.49 0.41 -0.02 0.00 -1.47 0.00 0.00 33.84 33.25 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 1.52 0.00 -1.77 6.34 -0.00 -0.60 -4.91 115.22 115.80 3ghq n HIS 112 Ca 0.24 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.54 3ghq n HIS 112 Cb 0.65 -1.33 -0.00 0.00 -0.00 0.00 0.00 29.99 29.32 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 0.13 4.16 0.11 0.41 -0.08 0.26 -4.74 116.55 116.80 3ghq n ASP 113 Ca -0.05 -2.86 0.01 0.00 -1.51 0.00 0.00 54.79 50.38 3ghq n ASP 113 Cb 0.25 -1.64 0.33 0.00 2.34 0.00 0.00 41.12 42.40 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 5.94 0.25 -0.11 -0.67 0.05 -1.91 -1.49 116.97 119.02 3ghq h TYR 114 Ca 0.57 -0.04 -0.20 0.00 0.05 0.00 0.00 58.73 59.10 3ghq h TYR 114 Cb 0.63 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.30 3ghq h TYR 114 CO 1.46 0.46 -0.74 -0.24 -1.05 0.00 0.00 178.16 178.05 3ghq h VAL 115 N 0.21 1.34 -0.88 -2.88 3.04 -1.96 0.64 116.25 115.76 3ghq h VAL 115 Ca 0.03 -2.06 0.07 0.00 -1.01 0.00 0.00 66.70 63.74 3ghq h VAL 115 Cb 0.55 2.05 -0.07 0.00 -2.01 0.00 0.00 31.29 31.81 3ghq h VAL 115 CO 0.04 0.63 0.54 0.28 -1.01 0.00 0.00 177.57 178.05 3ghq h SER 116 N 0.39 0.83 -0.30 3.17 0.02 -1.92 -1.11 113.55 114.62 3ghq h SER 116 Ca -0.04 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3ghq h SER 116 Cb 1.34 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 3ghq h SER 116 CO 0.14 0.51 0.16 -0.09 -1.14 0.00 0.00 176.83 176.41 3ghq h ARG 117 N 0.95 0.43 -0.12 3.45 2.43 -0.89 -0.61 114.38 120.02 3ghq h ARG 117 Ca 0.39 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 3ghq h ARG 117 Cb 0.24 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3ghq h ARG 117 CO -0.20 0.38 0.07 0.22 -1.51 0.00 0.00 179.97 178.94 3ghq h ASP 118 N 0.37 0.11 -0.55 -3.80 3.58 -0.41 0.19 116.42 115.91 3ghq h ASP 118 Ca 0.11 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.64 3ghq h ASP 118 Cb 0.08 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.05 3ghq h ASP 118 CO -0.02 0.08 0.21 -0.03 -2.88 0.00 0.00 179.24 176.60 3ghq h MET 119 N 0.15 0.38 -0.30 0.28 4.05 -1.07 -2.33 114.93 116.08 3ghq h MET 119 Ca 0.05 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.36 3ghq h MET 119 Cb -0.00 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 3ghq h MET 119 CO -0.03 0.25 -0.17 0.52 0.23 0.00 0.00 176.91 177.71 3ghq h MET 120 N 0.39 0.55 -0.53 0.39 2.86 0.27 -2.27 114.93 116.58 3ghq h MET 120 Ca 0.27 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 3ghq h MET 120 Cb 0.30 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3ghq h MET 120 CO -0.27 0.70 0.04 0.82 1.06 0.00 0.00 176.91 179.26 3ghq h ILE 121 N 0.50 1.25 -0.49 -1.22 2.04 -0.30 -0.43 117.51 118.84 3ghq h ILE 121 Ca 0.08 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 3ghq h ILE 121 Cb 0.58 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3ghq h ILE 121 CO 0.04 0.36 0.22 -0.33 0.00 0.00 0.00 178.15 178.44 3ghq h GLU 122 N 0.82 0.72 -0.62 2.37 5.08 -1.04 -1.63 114.58 120.27 3ghq h GLU 122 Ca 0.16 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3ghq h GLU 122 Cb 0.44 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3ghq h GLU 122 CO 0.02 0.62 0.24 0.82 -1.00 0.00 0.00 179.01 179.70 3ghq h ILE 123 N 0.65 1.24 -0.45 3.13 2.04 -1.12 -1.67 117.51 121.34 3ghq h ILE 123 Ca 0.17 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.29 3ghq h ILE 123 Cb 0.14 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3ghq h ILE 123 CO -0.02 0.29 0.29 0.25 0.00 0.00 0.00 178.15 178.96 3ghq h LEU 124 N 0.88 0.50 -0.64 1.44 5.85 -0.83 0.60 115.31 123.09 3ghq h LEU 124 Ca 0.21 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.02 3ghq h LEU 124 Cb 0.22 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 3ghq h LEU 124 CO -0.02 0.36 0.25 -0.09 -0.34 0.00 0.00 178.44 178.60 3ghq h ARG 125 N 0.59 0.41 -0.73 1.25 2.43 -0.99 0.19 114.38 117.52 3ghq h ARG 125 Ca 0.17 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3ghq h ARG 125 Cb -0.05 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 3ghq h ARG 125 CO -0.04 0.27 0.33 -0.44 -1.51 0.00 0.00 179.97 178.58 3ghq h ASP 126 N 0.42 0.96 -0.44 -3.80 3.45 -0.25 -2.06 116.42 114.71 3ghq h ASP 126 Ca 0.33 -0.12 -0.11 0.00 0.43 0.00 0.00 57.03 57.56 3ghq h ASP 126 Cb 0.42 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.93 3ghq h ASP 126 CO -0.33 0.83 -0.15 -0.33 -1.57 0.00 0.00 179.24 177.69 3ghq h GLU 127 N 1.05 0.88 -0.65 3.56 4.39 0.93 -2.33 114.58 122.41 3ghq h GLU 127 Ca 0.25 -0.36 0.02 0.00 0.34 0.00 0.00 59.36 59.61 3ghq h GLU 127 Cb 0.14 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 3ghq h GLU 127 CO -0.03 1.01 0.43 0.93 -1.16 0.00 0.00 179.01 180.19 3ghq h GLU 128 N 0.71 0.82 -0.25 2.33 5.08 -0.52 0.80 114.58 123.56 3ghq h GLU 128 Ca 0.11 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3ghq h GLU 128 Cb 0.71 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 3ghq h GLU 128 CO 0.05 0.54 0.01 0.78 -1.00 0.00 0.00 179.01 179.39 3ghq h GLY 129 N 0.84 0.24 0.99 -3.84 0.00 -0.87 -0.11 103.07 100.33 3ghq h GLY 129 Ca 0.25 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 3ghq h GLY 129 CO -0.06 -0.04 0.29 0.45 0.00 0.00 0.00 176.54 177.18 3ghq h HIS 130 N 0.08 0.64 -0.25 5.60 3.86 -0.73 -1.85 115.15 122.50 3ghq h HIS 130 Ca 0.12 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.38 3ghq h HIS 130 Cb 0.15 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.36 3ghq h HIS 130 CO -0.19 0.45 -0.05 0.82 0.86 0.00 0.00 177.93 179.81 3ghq h ILE 131 N 0.65 0.76 -0.40 2.45 2.04 -0.66 -0.28 117.51 122.07 3ghq h ILE 131 Ca 0.18 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.11 3ghq h ILE 131 Cb -0.01 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 3ghq h ILE 131 CO -0.03 0.00 -0.01 -0.78 0.00 0.00 0.00 178.15 177.32 3ghq h ASP 132 N 0.01 -0.20 -0.00 1.72 1.82 -0.68 0.38 116.42 119.48 3ghq h ASP 132 Ca 0.12 0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 3ghq h ASP 132 Cb 0.18 0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.37 3ghq h ASP 132 CO -0.25 -0.06 0.00 -0.25 -1.61 0.00 0.00 179.24 177.07 3ghq h TRP 133 N 0.09 0.00 -0.31 0.28 7.01 -0.83 -1.33 115.95 120.86 3ghq h TRP 133 Ca 0.20 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.24 3ghq h TRP 133 Cb 0.28 -0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.30 3ghq h TRP 133 CO -0.28 0.12 0.07 -0.07 -2.79 0.00 0.00 178.44 175.49 3ghq h LEU 134 N -0.12 0.03 -0.48 0.65 -0.00 -0.72 -1.47 115.31 113.21 3ghq h LEU 134 Ca 0.00 0.05 0.02 0.00 -0.00 0.00 0.00 57.88 57.95 3ghq h LEU 134 Cb 0.12 0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.81 3ghq h LEU 134 CO -0.00 0.05 0.29 -0.33 -0.00 0.00 0.00 178.44 178.45 3ghq h GLU 135 N 0.18 0.56 -0.28 1.13 5.08 -0.73 -1.52 114.58 119.00 3ghq h GLU 135 Ca 0.14 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3ghq h GLU 135 Cb 0.15 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3ghq h GLU 135 CO -0.18 0.37 0.14 1.15 -1.00 0.00 0.00 179.01 179.49 3ghq h THR 136 N 0.58 1.00 -0.49 1.13 2.02 -0.90 -1.38 112.91 114.87 3ghq h THR 136 Ca 0.19 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.30 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 -0.08 0.05 0.26 -0.33 0.37 0.00 0.00 175.52 175.79 3ghq h GLU 137 N 0.30 0.50 -0.49 6.66 4.39 -0.92 0.22 114.58 125.24 3ghq h GLU 137 Ca 0.11 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 3ghq h GLU 137 Cb 0.03 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3ghq h GLU 137 CO -0.08 0.33 0.08 -0.07 -1.16 0.00 0.00 179.01 178.11 3ghq h LEU 138 N 0.51 0.72 -0.46 1.33 3.38 -0.86 -0.93 115.31 119.00 3ghq h LEU 138 Ca 0.21 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3ghq h LEU 138 Cb 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ghq h LEU 138 CO -0.13 0.74 -0.42 0.44 0.09 0.00 0.00 178.44 179.16 3ghq h ASP 139 N 0.73 0.88 -0.81 -0.43 3.32 -0.85 -2.96 116.42 116.30 3ghq h ASP 139 Ca 0.16 -0.41 0.06 0.00 0.02 0.00 0.00 57.03 56.86 3ghq h ASP 139 Cb 0.33 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 3ghq h ASP 139 CO 0.01 1.18 0.49 -0.07 -1.72 0.00 0.00 179.24 179.12 3ghq h LEU 140 N 0.66 0.75 -0.67 1.55 3.38 -0.17 0.11 115.31 120.92 3ghq h LEU 140 Ca 0.05 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3ghq h LEU 140 Cb 0.99 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 3ghq h LEU 140 CO 0.09 0.48 0.37 0.40 0.09 0.00 0.00 178.44 179.87 3ghq h ILE 141 N 0.88 0.96 -0.30 1.22 2.04 -1.07 0.39 117.51 121.65 3ghq h ILE 141 Ca 0.36 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.89 3ghq h ILE 141 Cb 0.19 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3ghq h ILE 141 CO -0.18 0.12 -0.18 1.56 0.00 0.00 0.00 178.15 179.47 3ghq h GLN 142 N 0.68 0.65 -0.12 2.37 1.08 -1.21 -0.82 115.11 117.74 3ghq h GLN 142 Ca 0.30 -0.30 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 3ghq h GLN 142 Cb 0.20 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.63 3ghq h GLN 142 CO -0.19 0.89 -0.68 0.87 -0.95 0.00 0.00 178.83 178.78 3ghq h LYS 143 N 0.40 0.68 0.00 1.46 1.57 -0.14 -3.28 116.57 117.26 3ghq h LYS 143 Ca 0.06 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3ghq h LYS 143 Cb 0.72 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3ghq h LYS 143 CO 0.05 1.18 -0.96 0.00 -0.57 0.00 0.00 179.45 179.16 3ghq n MET 144 N -4.05 0.01 0.00 3.15 0.00 0.07 -5.09 117.12 111.20 3ghq n MET 144 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.62 3ghq n MET 144 Cb 0.70 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.42 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 1.50 -0.98 0.17 3.17 0.00 -0.31 -4.39 105.19 104.34 3ghq n GLY 145 Ca 0.04 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 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 0.44 -0.08 0.99 5.85 -1.92 -1.03 115.31 119.56 3ghq h LEU 146 Ca 0.00 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3ghq h LEU 146 Cb 0.00 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3ghq h LEU 146 CO 0.00 0.33 -0.07 1.56 -0.34 0.00 0.00 178.44 179.92 3ghq h GLN 147 N 0.51 -0.09 -0.49 1.25 4.20 -1.93 0.63 115.11 119.19 3ghq h GLN 147 Ca 0.14 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 3ghq h GLN 147 Cb -0.04 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 3ghq h GLN 147 CO -0.03 -0.06 0.06 -0.91 -0.67 0.00 0.00 178.83 177.22 3ghq h ASN 148 N -0.09 0.74 -0.25 1.46 -0.26 -1.75 -1.74 115.58 113.69 3ghq h ASN 148 Ca 0.06 -0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.64 3ghq h ASN 148 Cb 0.17 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 3ghq h ASN 148 CO -0.13 0.78 0.16 0.22 -1.06 0.00 0.00 177.43 177.39 3ghq h TYR 149 N 0.75 0.33 0.09 1.19 3.20 -0.44 -2.13 116.97 119.96 3ghq h TYR 149 Ca 0.16 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3ghq h TYR 149 Cb 0.37 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3ghq h TYR 149 CO 0.02 0.24 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.61 3ghq h LEU 150 N 0.32 -0.26 -1.50 2.82 4.07 -0.68 -1.86 115.31 118.21 3ghq h LEU 150 Ca 0.09 0.03 0.18 0.00 0.08 0.00 0.00 57.88 58.25 3ghq h LEU 150 Cb 0.00 0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.78 3ghq h LEU 150 CO -0.02 -0.15 0.56 -0.61 -1.08 0.00 0.00 178.44 177.14 3ghq h GLN 151 N -0.22 0.44 0.00 1.13 4.15 -1.17 0.47 115.11 119.91 3ghq h GLN 151 Ca 0.01 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3ghq h GLN 151 Cb 0.21 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3ghq h GLN 151 CO -0.03 0.29 0.00 0.00 -1.93 0.00 0.00 178.83 177.15 3ghq n ALA 152 N -2.51 1.99 0.76 3.38 0.00 -0.71 -2.65 120.51 120.77 3ghq n ALA 152 Ca 0.17 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.62 3ghq n ALA 152 Cb 0.61 -1.32 0.07 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.38 1.53 -0.08 0.00 1.13 0.15 -4.65 117.38 114.09 3ghq n GLN 153 Ca 0.07 -1.56 -0.11 0.00 -1.94 0.00 0.00 57.00 53.46 3ghq n GLN 153 Cb 0.19 -1.35 -0.04 0.00 0.11 0.00 0.00 30.24 29.15 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 3.52 1.24 -3.25 5.09 2.04 -1.54 -0.15 117.51 124.45 3ghq h ILE 154 Ca 0.00 -0.81 -0.67 0.00 1.00 0.00 0.00 64.86 64.38 3ghq h ILE 154 Cb 0.75 1.31 -0.14 0.00 -0.74 0.00 0.00 36.82 38.01 3ghq h ILE 154 CO 0.00 0.25 -0.61 0.00 0.00 0.00 0.00 178.15 177.79 3ghq s ARG 155 N -5.11 3.00 0.61 2.37 1.70 -1.26 -3.51 118.95 116.74 3ghq s ARG 155 Ca -0.14 -0.42 -0.18 0.00 -0.47 0.00 0.00 55.73 54.52 3ghq s ARG 155 Cb 0.07 -2.81 -0.03 0.00 -0.57 0.00 0.00 34.95 31.61 3ghq s ARG 155 CO 0.74 0.69 1.20 -1.83 -1.08 0.00 0.00 175.30 175.02 3ghq s GLU 156 N -1.08 2.89 -0.18 3.89 -1.05 -1.26 -4.44 118.70 117.46 3ghq s GLU 156 Ca 0.15 1.78 -0.24 0.00 -0.15 0.00 0.00 54.97 56.51 3ghq s GLU 156 Cb -0.11 -1.92 -0.02 0.00 -0.44 0.00 0.00 34.13 31.64 3ghq s GLU 156 CO 0.05 -1.26 0.78 -2.00 0.95 0.00 0.00 175.26 173.78 3ghq s GLU 157 N -3.44 4.26 0.00 -4.83 2.12 -1.26 -5.00 118.70 110.54 3ghq s GLU 157 Ca 0.76 0.91 0.05 0.00 0.36 0.00 0.00 54.97 57.05 3ghq s GLU 157 Cb -0.29 -3.58 0.27 0.00 0.26 0.00 0.00 34.13 30.78 3ghq s GLU 157 CO 0.35 -0.33 0.74 0.41 -0.54 0.00 0.00 175.26 175.89