#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 3.87 0.77 2.12 1.02 -1.26 -3.98 119.74 122.27 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 -4.08 0.10 0.00 -0.52 0.00 0.00 37.83 33.33 3ghq s LYS 2 CO 0.00 -1.23 1.08 0.20 -0.92 0.00 0.00 175.35 174.49 3ghq s GLY 3 N 4.52 1.72 0.18 -3.33 0.00 -0.56 -5.03 107.32 104.81 3ghq s GLY 3 Ca 0.78 -1.11 -0.31 0.00 0.00 0.00 0.00 44.72 44.08 3ghq s GLY 3 CO 0.32 -0.59 1.41 -0.35 0.00 0.00 0.00 173.10 173.88 3ghq s ASP 4 N -4.64 6.76 0.18 1.64 -1.08 -1.26 -4.93 116.67 113.35 3ghq s ASP 4 Ca 0.64 2.48 -0.13 0.00 -0.52 0.00 0.00 52.55 55.02 3ghq s ASP 4 Cb -0.08 -2.60 0.14 0.00 -1.46 0.00 0.00 42.92 38.92 3ghq s ASP 4 CO 0.47 -0.66 1.78 0.74 0.52 0.00 0.00 175.17 178.01 3ghq h THR 5 N 3.91 0.93 -0.09 1.71 2.02 -1.97 -2.43 112.91 116.99 3ghq h THR 5 Ca -0.44 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 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 0.09 -0.38 0.50 0.37 0.00 0.00 175.52 176.92 3ghq h LYS 6 N 0.47 0.20 -0.26 6.66 3.64 -2.00 -1.06 116.57 124.22 3ghq h LYS 6 Ca 0.23 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3ghq h LYS 6 Cb 0.15 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3ghq h LYS 6 CO -0.17 0.56 0.12 0.28 -2.27 0.00 0.00 179.45 177.97 3ghq h VAL 7 N 0.17 1.15 -0.70 2.00 2.07 -1.86 -1.31 116.25 117.76 3ghq h VAL 7 Ca 0.02 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.18 3ghq h VAL 7 Cb 0.76 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3ghq h VAL 7 CO 0.06 0.15 0.39 0.40 0.02 0.00 0.00 177.57 178.59 3ghq h ILE 8 N 0.29 0.95 -0.79 4.57 2.04 -0.96 0.27 117.51 123.89 3ghq h ILE 8 Ca 0.09 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3ghq h ILE 8 Cb 0.12 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 3ghq h ILE 8 CO -0.01 0.13 0.48 0.78 0.00 0.00 0.00 178.15 179.53 3ghq h ASN 9 N 0.71 0.94 -0.23 1.72 2.35 -0.81 0.20 115.58 120.46 3ghq h ASN 9 Ca 0.32 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3ghq h ASN 9 Cb 0.23 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3ghq h ASN 9 CO -0.20 0.72 0.13 1.88 -1.65 0.00 0.00 177.43 178.31 3ghq h TYR 10 N 1.08 0.25 -0.94 1.19 0.05 -0.60 0.12 116.97 118.12 3ghq h TYR 10 Ca 0.28 0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.12 3ghq h TYR 10 Cb -0.06 -0.08 -0.06 0.00 1.01 0.00 0.00 36.73 37.54 3ghq h TYR 10 CO -0.01 0.15 0.60 -0.07 -1.05 0.00 0.00 178.16 177.79 3ghq h LEU 11 N 0.28 0.98 -0.64 3.88 4.07 0.17 0.23 115.31 124.27 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 -0.01 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 3ghq h LEU 11 CO -0.04 0.65 -0.23 0.78 -1.08 0.00 0.00 178.44 178.52 3ghq h ASN 12 N 1.13 0.84 -0.38 -0.43 2.35 -0.61 0.18 115.58 118.67 3ghq h ASN 12 Ca 0.39 -0.31 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 3ghq h ASN 12 Cb 0.09 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3ghq h ASN 12 CO -0.15 1.04 0.04 0.50 -1.65 0.00 0.00 177.43 177.21 3ghq h LYS 13 N 0.71 0.63 -0.50 0.81 3.64 0.23 0.65 116.57 122.76 3ghq h LYS 13 Ca 0.10 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3ghq h LYS 13 Cb 0.76 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 3ghq h LYS 13 CO 0.06 0.71 0.19 -0.07 -2.27 0.00 0.00 179.45 178.07 3ghq h LEU 14 N 0.47 0.69 -1.15 5.20 3.38 -0.41 -1.60 115.31 121.88 3ghq h LEU 14 Ca 0.11 -0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.02 3ghq h LEU 14 Cb 0.39 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 3ghq h LEU 14 CO 0.01 0.68 0.60 0.25 0.09 0.00 0.00 178.44 180.07 3ghq h LEU 15 N 0.66 0.82 -0.51 1.67 5.85 -0.38 -0.55 115.31 122.87 3ghq h LEU 15 Ca 0.16 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.95 3ghq h LEU 15 Cb 0.21 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3ghq h LEU 15 CO -0.01 0.46 0.30 1.23 -0.34 0.00 0.00 178.44 180.07 3ghq h GLY 16 N 0.89 0.72 0.88 3.75 0.00 0.01 -0.57 103.07 108.75 3ghq h GLY 16 Ca 0.45 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.58 3ghq h GLY 16 CO -0.21 0.18 0.25 3.43 0.00 0.00 0.00 176.54 180.19 3ghq h ASN 17 N 0.59 0.41 -0.53 0.19 2.35 -0.23 -2.33 115.58 116.03 3ghq h ASN 17 Ca 0.21 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3ghq h ASN 17 Cb 0.04 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3ghq h ASN 17 CO -0.11 0.29 0.24 -0.33 -1.65 0.00 0.00 177.43 175.87 3ghq h GLU 18 N 0.51 0.77 -0.59 0.81 4.39 -0.77 -0.98 114.58 118.71 3ghq h GLU 18 Ca 0.18 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.82 3ghq h GLU 18 Cb 0.02 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.48 3ghq h GLU 18 CO -0.09 0.66 0.29 -0.07 -1.16 0.00 0.00 179.01 178.64 3ghq h LEU 19 N 0.71 0.39 0.10 1.33 4.07 -0.96 0.33 115.31 121.29 3ghq h LEU 19 Ca 0.18 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 3ghq h LEU 19 Cb 0.15 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.87 3ghq h LEU 19 CO -0.02 0.26 -0.05 0.58 -1.08 0.00 0.00 178.44 178.13 3ghq h VAL 20 N 0.54 0.94 -0.85 1.22 2.07 -0.93 -2.97 116.25 116.26 3ghq h VAL 20 Ca 0.28 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3ghq h VAL 20 Cb 0.23 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3ghq h VAL 20 CO -0.21 0.04 0.54 0.00 0.02 0.00 0.00 177.57 177.95 3ghq h ALA 21 N 0.68 1.34 -0.08 1.67 0.00 -0.64 -0.57 119.26 121.65 3ghq h ALA 21 Ca -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ghq h ALA 21 Cb 0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3ghq h ALA 21 CO 0.02 0.59 -0.14 0.82 0.00 0.00 0.00 179.25 180.55 3ghq h ILE 22 N 1.17 0.64 -0.23 0.00 2.04 -0.26 0.14 117.51 121.01 3ghq h ILE 22 Ca 0.31 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.09 3ghq h ILE 22 Cb -0.08 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3ghq h ILE 22 CO -0.06 0.00 -0.17 0.78 0.00 0.00 0.00 178.15 178.70 3ghq h ASN 23 N -0.19 0.55 -0.61 1.72 -0.26 -1.26 -1.06 115.58 114.47 3ghq h ASN 23 Ca 0.07 -0.45 -0.09 0.00 -0.56 0.00 0.00 56.30 55.28 3ghq h ASN 23 Cb 0.29 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 3ghq h ASN 23 CO -0.19 0.88 0.04 -0.61 -1.06 0.00 0.00 177.43 176.49 3ghq h GLN 24 N 0.22 1.06 -0.28 0.81 4.15 -0.92 -0.86 115.11 119.29 3ghq h GLN 24 Ca 0.04 -0.31 -0.14 0.00 0.77 0.00 0.00 58.65 59.02 3ghq h GLN 24 Cb 0.70 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.27 3ghq h GLN 24 CO 0.05 1.00 -0.38 1.88 -1.93 0.00 0.00 178.83 179.45 3ghq h TYR 25 N 0.98 0.92 -0.22 3.99 0.05 -0.67 -1.04 116.97 120.97 3ghq h TYR 25 Ca 0.18 -0.30 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 3ghq h TYR 25 Cb 0.50 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3ghq h TYR 25 CO 0.03 1.08 0.10 0.35 -1.05 0.00 0.00 178.16 178.67 3ghq h PHE 26 N 0.50 0.31 -0.07 4.88 3.57 -0.89 0.88 116.94 126.11 3ghq h PHE 26 Ca 0.03 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 3ghq h PHE 26 Cb 0.96 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3ghq h PHE 26 CO 0.08 0.31 -0.01 1.25 -2.23 0.00 0.00 178.31 177.71 3ghq h LEU 27 N 0.22 -0.05 -0.42 0.59 6.46 -1.17 -1.93 115.31 119.01 3ghq h LEU 27 Ca 0.07 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.92 3ghq h LEU 27 Cb 0.12 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.02 3ghq h LEU 27 CO -0.01 -0.01 0.05 0.45 -0.62 0.00 0.00 178.44 178.30 3ghq h HIS 28 N 0.01 0.08 -0.50 1.25 3.86 -1.01 0.30 115.15 119.14 3ghq h HIS 28 Ca 0.03 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.37 3ghq h HIS 28 Cb 0.04 0.03 -0.10 0.00 1.06 0.00 0.00 27.41 28.44 3ghq h HIS 28 CO -0.12 -0.02 -0.18 0.00 0.86 0.00 0.00 177.93 178.46 3ghq h ALA 29 N 1.34 0.23 0.00 2.45 0.00 -0.49 0.31 119.26 123.10 3ghq h ALA 29 Ca 0.20 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3ghq h ALA 29 Cb 0.27 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ghq h ALA 29 CO -0.29 -0.51 -0.20 0.00 0.00 0.00 0.00 179.25 178.25 3ghq h ARG 30 N -0.07 0.00 -0.00 0.00 2.47 -0.59 -0.55 114.38 115.65 3ghq h ARG 30 Ca 0.24 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.96 3ghq h ARG 30 Cb 0.43 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3ghq h ARG 30 CO -0.55 0.20 -0.00 0.52 0.56 0.00 0.00 179.97 180.70 3ghq h MET 31 N 0.00 0.01 -0.75 0.04 2.86 -0.08 -0.27 114.93 116.74 3ghq h MET 31 Ca -0.00 -0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3ghq h MET 31 Cb 1.02 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.60 3ghq h MET 31 CO 0.03 0.39 0.38 0.74 1.06 0.00 0.00 176.91 179.50 3ghq h PHE 32 N -0.37 0.68 -0.32 -0.22 0.05 -0.72 0.17 116.94 116.21 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 -0.19 -0.02 0.00 2.00 0.00 0.00 35.95 38.13 3ghq h PHE 32 CO 0.06 0.23 0.20 -0.22 -0.18 0.00 0.00 178.31 178.40 3ghq h LYS 33 N 0.62 0.42 -0.58 1.51 3.64 -0.91 0.01 116.57 121.28 3ghq h LYS 33 Ca 0.38 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 3ghq h LYS 33 Cb 0.43 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3ghq h LYS 33 CO -0.29 0.30 0.37 -0.97 -2.27 0.00 0.00 179.45 176.59 3ghq h ASN 34 N 0.42 0.62 0.04 4.20 -0.73 -0.54 -0.92 115.58 118.66 3ghq h ASN 34 Ca 0.11 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.28 3ghq h ASN 34 Cb -0.02 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.43 3ghq h ASN 34 CO -0.02 0.44 0.00 -0.26 -0.37 0.00 0.00 177.43 177.22 3ghq h PHE 35 N 0.74 0.00 0.00 0.67 0.04 -0.10 -3.46 116.94 114.84 3ghq h PHE 35 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 3ghq h PHE 35 Cb -0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.12 3ghq h PHE 35 CO -0.05 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.07 3ghq n GLY 36 N -1.14 0.74 2.71 -1.45 0.00 -0.35 -4.97 105.19 100.73 3ghq n GLY 36 Ca -0.02 -0.05 -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 7.22 -0.34 0.99 4.32 -0.15 -4.46 117.00 124.57 3ghq n LEU 37 Ca 0.00 -4.68 0.23 0.00 -0.02 0.00 0.00 56.01 51.55 3ghq n LEU 37 Cb 0.00 -1.46 0.49 0.00 -1.62 0.00 0.00 43.42 40.84 3ghq n LEU 37 CO 0.00 1.61 1.20 0.50 -1.22 0.00 0.00 177.39 179.49 3ghq h LYS 38 N 5.36 0.39 -0.17 3.23 1.63 -1.09 -0.91 116.57 125.01 3ghq h LYS 38 Ca 0.53 -0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 60.13 3ghq h LYS 38 Cb 0.51 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 3ghq h LYS 38 CO 1.61 0.26 -0.59 -0.09 -3.45 0.00 0.00 179.45 177.18 3ghq h ARG 39 N 0.40 0.56 0.00 1.90 1.12 -1.37 -1.92 114.38 115.08 3ghq h ARG 39 Ca 0.63 -0.38 -0.20 0.00 -1.11 0.00 0.00 59.98 58.93 3ghq h ARG 39 Cb 1.56 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 31.56 3ghq h ARG 39 CO -0.36 0.99 -0.87 -0.07 -3.11 0.00 0.00 179.97 176.55 3ghq h LEU 40 N 0.42 0.24 -0.44 3.80 4.07 -1.38 -2.43 115.31 119.60 3ghq h LEU 40 Ca -0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 3ghq h LEU 40 Cb 1.15 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 3ghq h LEU 40 CO 0.11 1.00 0.22 -1.13 -1.08 0.00 0.00 178.44 177.57 3ghq h ASN 41 N 0.10 0.56 -0.02 -0.43 -1.24 -1.17 -0.96 115.58 112.42 3ghq h ASN 41 Ca -0.04 -0.11 -0.00 0.00 0.71 0.00 0.00 56.30 56.86 3ghq h ASN 41 Cb 1.50 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 40.41 3ghq h ASN 41 CO 0.13 0.51 0.01 0.44 -1.29 0.00 0.00 177.43 177.24 3ghq h ASP 42 N 0.57 0.03 -0.22 1.15 3.32 -1.26 -0.01 116.42 120.00 3ghq h ASP 42 Ca 0.15 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3ghq h ASP 42 Cb 0.09 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3ghq h ASP 42 CO -0.02 0.13 0.06 0.58 -1.72 0.00 0.00 179.24 178.27 3ghq h VAL 43 N -0.08 1.20 -0.43 -1.35 2.07 -1.42 -1.31 116.25 114.93 3ghq h VAL 43 Ca 0.01 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 3ghq h VAL 43 Cb 0.11 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3ghq h VAL 43 CO -0.00 0.20 -0.16 -0.33 0.02 0.00 0.00 177.57 177.30 3ghq h GLU 44 N 0.18 0.80 -0.03 1.57 4.39 -1.13 -1.37 114.58 119.00 3ghq h GLU 44 Ca 0.07 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 59.50 3ghq h GLU 44 Cb 0.26 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 3ghq h GLU 44 CO -0.00 0.91 -0.11 -0.92 -1.16 0.00 0.00 179.01 177.73 3ghq h TYR 45 N 0.71 -0.27 -0.96 4.33 3.20 -0.92 0.21 116.97 123.28 3ghq h TYR 45 Ca 0.11 0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.19 3ghq h TYR 45 Cb 0.66 0.13 -0.11 0.00 1.54 0.00 0.00 36.73 38.95 3ghq h TYR 45 CO 0.04 -0.16 0.54 1.25 -1.64 0.00 0.00 178.16 178.18 3ghq h HIS 46 N -0.17 0.94 -0.01 -3.82 2.76 -0.61 -1.03 115.15 113.21 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 0.24 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 3ghq h HIS 46 CO -0.18 0.15 -0.84 0.93 -1.30 0.00 0.00 177.93 176.69 3ghq h GLU 47 N 0.65 0.23 -0.50 5.26 5.08 -0.51 -0.65 114.58 124.14 3ghq h GLU 47 Ca 0.57 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.76 3ghq h GLU 47 Cb 0.93 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 3ghq h GLU 47 CO -0.42 0.94 0.19 1.03 -1.00 0.00 0.00 179.01 179.76 3ghq h SER 48 N 0.13 0.22 -0.95 1.42 0.87 0.28 -1.91 113.55 113.61 3ghq h SER 48 Ca -0.04 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.65 3ghq h SER 48 Cb 1.45 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 63.37 3ghq h SER 48 CO 0.13 0.15 0.60 0.40 -0.53 0.00 0.00 176.83 177.59 3ghq h ILE 49 N 0.38 1.05 -0.52 2.23 1.08 -0.88 -1.12 117.51 119.73 3ghq h ILE 49 Ca 0.24 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 3ghq h ILE 49 Cb 0.23 -0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 33.83 3ghq h ILE 49 CO -0.23 0.20 0.30 -0.78 -0.69 0.00 0.00 178.15 176.95 3ghq h ASP 50 N 1.08 0.64 0.58 1.72 3.58 -0.61 -1.31 116.42 122.09 3ghq h ASP 50 Ca 0.42 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.70 3ghq h ASP 50 Cb 0.21 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 3ghq h ASP 50 CO -0.19 0.53 -0.44 -0.33 -2.88 0.00 0.00 179.24 175.93 3ghq h GLU 51 N 0.69 0.00 -0.34 0.28 4.39 -0.85 -2.08 114.58 116.67 3ghq h GLU 51 Ca 0.18 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 3ghq h GLU 51 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3ghq h GLU 51 CO -0.03 0.44 0.12 0.52 -1.16 0.00 0.00 179.01 178.90 3ghq h MET 52 N 0.00 0.51 -0.93 2.33 2.86 -0.51 0.04 114.93 119.22 3ghq h MET 52 Ca -0.00 -0.10 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 3ghq h MET 52 Cb 0.85 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.35 3ghq h MET 52 CO 0.06 0.52 0.58 0.87 1.06 0.00 0.00 176.91 179.99 3ghq h LYS 53 N 0.39 0.94 -0.11 1.72 1.57 -0.78 -0.09 116.57 120.22 3ghq h LYS 53 Ca 0.11 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3ghq h LYS 53 Cb 0.21 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3ghq h LYS 53 CO -0.01 0.62 0.02 0.45 -0.57 0.00 0.00 179.45 179.97 3ghq h HIS 54 N 0.97 0.19 -0.40 -1.35 3.86 -0.94 -1.65 115.15 115.82 3ghq h HIS 54 Ca 0.44 -0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.69 3ghq h HIS 54 Cb 0.34 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.70 3ghq h HIS 54 CO -0.02 0.37 0.04 0.00 0.86 0.00 0.00 177.93 179.17 3ghq h ALA 55 N 0.80 0.40 -0.61 2.45 0.00 -0.49 -0.89 119.26 120.92 3ghq h ALA 55 Ca 0.03 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3ghq h ALA 55 Cb 0.28 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 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 0.32 -0.70 0.00 3.58 -0.89 0.42 116.42 119.30 3ghq h ASP 56 Ca 0.20 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.66 3ghq h ASP 56 Cb 0.26 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 3ghq h ASP 56 CO -0.30 0.20 0.26 0.03 -2.88 0.00 0.00 179.24 176.55 3ghq h ARG 57 N 0.48 1.07 -0.40 0.28 3.08 -0.22 -0.97 114.38 117.70 3ghq h ARG 57 Ca 0.30 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3ghq h ARG 57 Cb 0.31 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3ghq h ARG 57 CO -0.26 0.90 0.18 1.88 -1.07 0.00 0.00 179.97 181.59 3ghq h TYR 58 N 1.02 0.60 -0.77 3.04 0.05 -0.54 -1.77 116.97 118.60 3ghq h TYR 58 Ca 0.23 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.98 3ghq h TYR 58 Cb 0.24 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 3ghq h TYR 58 CO 0.02 0.52 0.49 0.82 -1.05 0.00 0.00 178.16 178.96 3ghq h ILE 59 N 0.51 1.20 -0.28 -2.88 2.04 -0.42 0.29 117.51 117.98 3ghq h ILE 59 Ca 0.14 -0.39 -0.16 0.00 1.00 0.00 0.00 64.86 65.45 3ghq h ILE 59 Cb 0.16 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3ghq h ILE 59 CO -0.01 0.20 -0.47 -0.33 0.00 0.00 0.00 178.15 177.54 3ghq h GLU 60 N 1.04 0.73 -0.18 2.37 5.08 -1.05 -1.90 114.58 120.67 3ghq h GLU 60 Ca 0.28 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 3ghq h GLU 60 Cb -0.10 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3ghq h GLU 60 CO -0.06 1.04 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.83 3ghq h ARG 61 N 0.58 0.37 -0.56 2.33 9.65 -0.81 0.02 114.38 125.97 3ghq h ARG 61 Ca 0.03 -0.15 0.05 0.00 -1.10 0.00 0.00 59.98 58.81 3ghq h ARG 61 Cb 1.03 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.54 3ghq h ARG 61 CO 0.10 0.66 0.29 0.82 2.80 0.00 0.00 179.97 184.64 3ghq h ILE 62 N 0.06 0.96 -0.70 1.20 2.04 -0.31 0.77 117.51 121.54 3ghq h ILE 62 Ca 0.04 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 3ghq h ILE 62 Cb 0.54 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3ghq h ILE 62 CO 0.02 0.10 0.26 -0.07 0.00 0.00 0.00 178.15 178.47 3ghq h LEU 63 N 0.56 0.98 -0.44 1.44 4.07 -1.25 0.13 115.31 120.81 3ghq h LEU 63 Ca 0.25 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 3ghq h LEU 63 Cb 0.14 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 3ghq h LEU 63 CO -0.16 0.90 0.20 0.15 -1.08 0.00 0.00 178.44 178.45 3ghq h PHE 64 N 1.01 0.65 0.00 1.13 3.57 -0.02 -0.80 116.94 122.49 3ghq h PHE 64 Ca 0.23 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3ghq h PHE 64 Cb 0.24 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.78 3ghq h PHE 64 CO 0.02 0.54 0.00 1.28 -2.23 0.00 0.00 178.31 177.92 3ghq n LEU 65 N -4.64 0.00 -0.88 0.59 4.77 0.17 -2.59 117.00 114.43 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 0.13 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 3ghq n LEU 65 CO 0.37 0.00 -0.10 -0.62 -1.33 0.00 0.00 177.39 175.71 3ghq n GLU 66 N -0.86 -0.62 -2.78 3.23 1.02 -0.20 -1.50 120.64 118.92 3ghq n GLU 66 Ca 0.14 0.41 -0.18 0.00 -0.02 0.00 0.00 57.16 57.52 3ghq n GLU 66 Cb 0.07 -4.34 0.06 0.00 -0.02 0.00 0.00 31.44 27.21 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 3.25 0.62 0.00 0.28 -4.97 105.19 105.21 3ghq n GLY 67 Ca -0.09 -2.21 -0.39 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 5.00 0.31 0.99 1.02 -1.26 -4.27 118.68 120.48 3ghq s LEU 68 Ca 0.55 -1.52 -0.29 0.00 0.02 0.00 0.00 54.13 52.89 3ghq s LEU 68 Cb -0.04 -1.94 -0.11 0.00 0.02 0.00 0.00 46.19 44.12 3ghq s LEU 68 CO 0.35 -0.50 1.54 -2.84 0.02 0.00 0.00 176.35 174.93 3ghq s PRO 69 N 1.38 4.14 -0.42 1.29 0.02 -1.26 -4.94 135.00 135.21 3ghq s PRO 69 Ca 0.03 2.54 -0.08 0.00 0.02 0.00 0.00 61.00 63.51 3ghq s PRO 69 Cb -0.22 -3.02 0.09 0.00 0.02 0.00 0.00 34.50 31.36 3ghq s PRO 69 CO 0.01 -0.57 0.25 1.21 -0.33 0.00 0.00 177.00 177.57 3ghq s ASN 70 N 0.29 5.56 -0.04 2.53 3.84 -1.26 -4.87 114.94 120.99 3ghq s ASN 70 Ca 0.60 -1.60 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 38.70 3ghq s ASN 70 CO 0.51 -0.54 1.35 0.18 -2.79 0.00 0.00 177.10 175.82 3ghq n LEU 71 N 4.86 3.38 0.02 3.21 4.32 -1.26 -4.62 117.00 126.92 3ghq n LEU 71 Ca -0.09 -2.19 -0.22 0.00 -0.02 0.00 0.00 56.01 53.49 3ghq n LEU 71 Cb 0.42 -0.34 -0.14 0.00 -1.62 0.00 0.00 43.42 41.74 3ghq n LEU 71 CO 0.38 0.77 -0.67 -0.61 -1.22 0.00 0.00 177.39 176.04 3ghq h GLN 72 N 2.49 0.30 -5.92 3.23 5.75 -2.02 -3.45 115.11 115.49 3ghq h GLN 72 Ca 0.00 -0.50 -0.57 0.00 -0.15 0.00 0.00 58.65 57.42 3ghq h GLN 72 Cb 0.94 0.19 -0.06 0.00 1.07 0.00 0.00 27.48 29.61 3ghq h GLN 72 CO 0.06 1.24 -0.05 -0.51 -2.65 0.00 0.00 178.83 176.92 3ghq s ASP 73 N -7.12 6.85 -0.15 -0.69 1.01 -1.26 -5.05 116.67 110.26 3ghq s ASP 73 Ca -0.20 1.02 0.01 0.00 0.71 0.00 0.00 52.55 54.08 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 0.02 -0.17 -0.22 0.21 0.00 0.00 175.17 175.80 3ghq s LEU 74 N 0.35 1.87 0.00 1.23 2.96 -1.26 -4.93 118.68 118.90 3ghq s LEU 74 Ca 0.30 -0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 53.55 3ghq s LEU 74 Cb -0.17 -1.29 0.18 0.00 0.50 0.00 0.00 46.19 45.41 3ghq s LEU 74 CO 0.14 -0.01 0.62 0.61 -1.32 0.00 0.00 176.35 176.39 3ghq n GLY 75 N 4.56 -2.68 3.67 7.98 0.00 -1.26 -4.94 105.19 112.52 3ghq n GLY 75 Ca -0.19 -1.47 -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 -4.41 4.27 0.24 1.61 2.20 -1.26 -4.96 119.74 117.43 3ghq s LYS 76 Ca 0.40 1.70 -0.30 0.00 -0.36 0.00 0.00 55.97 57.42 3ghq s LYS 76 Cb -0.04 -3.70 -0.09 0.00 -1.51 0.00 0.00 37.83 32.49 3ghq s LYS 76 CO 0.31 -0.63 1.03 -0.51 -0.36 0.00 0.00 175.35 175.19 3ghq s LEU 77 N 3.08 4.58 -0.25 5.43 1.02 -1.26 -5.06 118.68 126.22 3ghq s LEU 77 Ca 0.56 2.08 0.01 0.00 0.02 0.00 0.00 54.13 56.81 3ghq s LEU 77 Cb -0.24 -3.61 0.06 0.00 0.02 0.00 0.00 46.19 42.42 3ghq s LEU 77 CO 0.18 -0.03 -0.06 0.21 0.02 0.00 0.00 176.35 176.68 3ghq s ASN 78 N -0.82 4.07 -0.18 2.29 2.47 -1.26 -5.04 114.94 116.47 3ghq s ASN 78 Ca 0.44 -1.31 -0.14 0.00 0.42 0.00 0.00 52.86 52.26 3ghq s ASN 78 Cb -0.29 -1.29 -0.10 0.00 -1.45 0.00 0.00 41.25 38.13 3ghq s ASN 78 CO 0.36 -0.24 -0.06 -0.38 -3.72 0.00 0.00 177.10 173.06 3ghq n ILE 79 N 4.59 1.47 0.00 -5.21 2.08 -1.26 -4.82 119.36 116.21 3ghq n ILE 79 Ca -0.11 0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.29 3ghq n ILE 79 Cb 0.43 -2.24 0.00 0.00 -0.75 0.00 0.00 39.64 37.09 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 1.52 -2.07 0.03 7.39 0.00 -1.26 -4.44 105.19 106.36 3ghq n GLY 80 Ca -0.19 -1.50 -0.03 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.00 2.05 -4.23 1.61 1.02 -1.26 -4.87 120.64 112.96 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 -4.02 4.56 0.15 1.62 -4.77 -1.26 -5.00 116.67 107.95 3ghq s ASP 82 Ca -0.05 -0.72 -0.29 0.00 -3.30 0.00 0.00 52.55 48.19 3ghq s ASP 82 Cb 0.02 -0.78 -0.02 0.00 -1.09 0.00 0.00 42.92 41.05 3ghq s ASP 82 CO 0.20 -0.13 1.56 0.58 0.70 0.00 0.00 175.17 178.08 3ghq h VAL 83 N 1.76 0.05 -0.11 2.11 2.07 -1.99 -0.53 116.25 119.61 3ghq h VAL 83 Ca -0.44 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.12 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 -0.29 -0.17 -0.91 1.57 4.81 -1.99 0.65 114.58 118.25 3ghq h GLU 84 Ca 0.14 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 3ghq h GLU 84 Cb 0.57 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 3ghq h GLU 84 CO -0.66 -0.12 0.59 1.49 -0.73 0.00 0.00 179.01 179.58 3ghq h GLU 85 N -0.18 0.93 -0.06 1.92 4.81 -1.81 0.11 114.58 120.31 3ghq h GLU 85 Ca 0.09 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.02 3ghq h GLU 85 Cb 0.30 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.49 3ghq h GLU 85 CO -0.22 0.62 -0.91 0.00 -0.73 0.00 0.00 179.01 177.77 3ghq h MET 86 N 0.96 0.68 -0.60 1.92 -0.00 -0.10 -1.35 114.93 116.43 3ghq h MET 86 Ca 0.41 -0.64 -0.04 0.00 -0.00 0.00 0.00 59.70 59.43 3ghq h MET 86 Cb 0.32 0.16 -0.03 0.00 -0.00 0.00 0.00 31.60 32.06 3ghq h MET 86 CO -0.17 1.25 0.22 -0.07 -0.00 0.00 0.00 176.91 178.14 3ghq h LEU 87 N 0.42 0.85 -1.10 -0.10 4.07 -0.26 -2.19 115.31 116.99 3ghq h LEU 87 Ca -0.09 -0.18 -0.06 0.00 0.08 0.00 0.00 57.88 57.63 3ghq h LEU 87 Cb 1.55 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 43.05 3ghq h LEU 87 CO 0.18 0.80 -0.01 -0.09 -1.08 0.00 0.00 178.44 178.24 3ghq h ARG 88 N 0.84 0.62 -0.49 1.13 2.43 -0.69 -1.04 114.38 117.18 3ghq h ARG 88 Ca 0.20 -0.15 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3ghq h ARG 88 Cb 0.23 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3ghq h ARG 88 CO -0.01 0.65 -0.12 1.03 -1.51 0.00 0.00 179.97 180.01 3ghq h SER 89 N 0.59 0.95 -0.61 -3.80 0.87 -0.85 -0.82 113.55 109.88 3ghq h SER 89 Ca 0.12 -0.36 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 3ghq h SER 89 Cb 0.39 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3ghq h SER 89 CO 0.01 1.09 0.34 0.44 -0.53 0.00 0.00 176.83 178.19 3ghq h ASP 90 N 0.79 0.75 -0.05 6.23 3.45 -0.78 -2.21 116.42 124.60 3ghq h ASP 90 Ca 0.12 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.50 3ghq h ASP 90 Cb 0.68 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.25 3ghq h ASP 90 CO 0.05 0.62 0.02 0.25 -1.57 0.00 0.00 179.24 178.61 3ghq h LEU 91 N 0.83 0.03 -1.30 1.55 5.85 -0.93 -1.48 115.31 119.87 3ghq h LEU 91 Ca 0.22 0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.04 3ghq h LEU 91 Cb 0.03 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 3ghq h LEU 91 CO -0.04 0.03 0.54 0.00 -0.34 0.00 0.00 178.44 178.63 3ghq h ALA 92 N 1.03 1.72 -0.27 1.25 0.00 -1.02 -0.71 119.26 121.26 3ghq h ALA 92 Ca 0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3ghq h ALA 92 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3ghq h ALA 92 CO -0.01 0.10 -0.48 1.25 0.00 0.00 0.00 179.25 180.11 3ghq h LEU 93 N 0.78 0.78 -0.21 0.00 5.85 -0.93 -1.66 115.31 119.91 3ghq h LEU 93 Ca 0.39 -0.39 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 3ghq h LEU 93 Cb 0.45 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.26 3ghq h LEU 93 CO -0.15 1.13 -0.65 -0.08 -0.34 0.00 0.00 178.44 178.34 3ghq h GLU 94 N 0.57 0.81 -0.82 1.25 4.57 -0.80 -1.28 114.58 118.89 3ghq h GLU 94 Ca 0.03 -0.59 -0.01 0.00 -1.18 0.00 0.00 59.36 57.61 3ghq h GLU 94 Cb 1.04 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.69 3ghq h GLU 94 CO 0.10 1.21 0.48 -0.07 -1.18 0.00 0.00 179.01 179.55 3ghq h LEU 95 N 0.56 0.99 -0.95 1.64 4.07 -1.05 0.99 115.31 121.57 3ghq h LEU 95 Ca -0.02 -0.08 -0.10 0.00 0.08 0.00 0.00 57.88 57.76 3ghq h LEU 95 Cb 1.27 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 3ghq h LEU 95 CO 0.14 0.78 -0.30 0.44 -1.08 0.00 0.00 178.44 178.41 3ghq h ASP 96 N 1.13 0.40 -0.16 -0.43 3.32 -1.06 -2.55 116.42 117.07 3ghq h ASP 96 Ca 0.29 -0.14 -0.18 0.00 0.02 0.00 0.00 57.03 57.02 3ghq h ASP 96 Cb -0.02 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3ghq h ASP 96 CO -0.05 0.69 -0.56 1.23 -1.72 0.00 0.00 179.24 178.83 3ghq h GLY 97 N 1.06 0.83 1.32 2.75 0.00 -0.86 -2.57 103.07 105.59 3ghq h GLY 97 Ca 0.05 -0.98 -0.04 0.00 0.00 0.00 0.00 47.33 46.36 3ghq h GLY 97 CO 0.05 0.88 0.21 0.00 0.00 0.00 0.00 176.54 177.69 3ghq h ALA 98 N 0.78 1.27 0.00 3.60 0.00 -0.68 -1.61 119.26 122.63 3ghq h ALA 98 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3ghq h ALA 98 Cb 1.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3ghq h ALA 98 CO 0.12 0.53 -0.03 -0.22 0.00 0.00 0.00 179.25 179.65 3ghq h LYS 99 N 0.85 -0.05 -0.57 0.00 3.64 -1.34 -0.36 116.57 118.73 3ghq h LYS 99 Ca 0.20 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3ghq h LYS 99 Cb 0.20 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3ghq h LYS 99 CO -0.01 -0.04 0.18 -0.91 -2.27 0.00 0.00 179.45 176.40 3ghq h ASN 100 N -0.06 0.79 -0.36 4.20 -0.26 -1.18 -2.36 115.58 116.36 3ghq h ASN 100 Ca 0.01 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.62 3ghq h ASN 100 Cb 0.07 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 3ghq h ASN 100 CO -0.03 0.75 0.18 -0.07 -1.06 0.00 0.00 177.43 177.20 3ghq h LEU 101 N 0.84 0.47 -0.65 1.61 3.38 -1.02 -0.32 115.31 119.61 3ghq h LEU 101 Ca 0.19 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3ghq h LEU 101 Cb 0.24 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3ghq h LEU 101 CO -0.01 0.45 0.41 0.03 0.09 0.00 0.00 178.44 179.41 3ghq h ARG 102 N 0.45 0.79 -0.26 1.13 3.08 -0.72 0.27 114.38 119.12 3ghq h ARG 102 Ca 0.12 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3ghq h ARG 102 Cb 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3ghq h ARG 102 CO -0.02 0.52 0.04 1.49 -1.07 0.00 0.00 179.97 180.93 3ghq h GLU 103 N 0.81 0.43 -0.79 0.04 4.81 -1.21 -2.78 114.58 115.89 3ghq h GLU 103 Ca 0.26 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3ghq h GLU 103 Cb -0.00 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 3ghq h GLU 103 CO -0.09 0.56 0.32 0.00 -0.73 0.00 0.00 179.01 179.06 3ghq h ALA 104 N 0.86 1.06 -0.70 2.92 0.00 -0.60 -2.65 119.26 120.15 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 0.34 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ghq h ALA 104 CO 0.01 0.66 0.37 0.82 0.00 0.00 0.00 179.25 181.11 3ghq h ILE 105 N 1.15 1.22 -0.80 0.00 2.04 -0.89 -0.35 117.51 119.88 3ghq h ILE 105 Ca 0.26 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 3ghq h ILE 105 Cb 0.21 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 3ghq h ILE 105 CO -0.02 0.24 0.32 1.23 0.00 0.00 0.00 178.15 179.92 3ghq h GLY 106 N 0.96 1.28 0.70 5.37 0.00 -1.31 -2.33 103.07 107.74 3ghq h GLY 106 Ca 0.24 -0.70 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 3ghq h GLY 106 CO -0.04 0.66 -0.36 -1.82 0.00 0.00 0.00 176.54 174.98 3ghq h TYR 107 N 1.16 0.49 -0.99 5.60 3.20 -1.10 -2.61 116.97 122.72 3ghq h TYR 107 Ca 0.27 -0.22 0.13 0.00 3.14 0.00 0.00 58.73 62.04 3ghq h TYR 107 Cb 0.22 -0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.33 3ghq h TYR 107 CO 0.02 0.97 0.62 0.00 -1.64 0.00 0.00 178.16 178.13 3ghq h ALA 108 N 0.41 1.50 -0.73 1.82 0.00 -1.04 0.44 119.26 121.66 3ghq h ALA 108 Ca -0.03 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ghq h ALA 108 Cb 1.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3ghq h ALA 108 CO 0.07 0.19 0.48 0.22 0.00 0.00 0.00 179.25 180.21 3ghq h ASP 109 N 0.95 0.82 1.74 0.00 1.82 -1.34 0.11 116.42 120.52 3ghq h ASP 109 Ca 0.50 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.12 3ghq h ASP 109 Cb 0.52 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.33 3ghq h ASP 109 CO -0.28 0.59 0.00 0.77 -1.61 0.00 0.00 179.24 178.71 3ghq h SER 110 N 0.97 0.00 -0.69 2.28 4.64 -0.54 -1.89 113.55 118.32 3ghq h SER 110 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3ghq h SER 110 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3ghq h SER 110 CO -0.07 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.22 3ghq n VAL 111 N -3.07 0.91 -1.13 0.95 0.24 -0.78 -4.97 118.33 110.48 3ghq n VAL 111 Ca 0.03 -0.94 -0.04 0.00 -2.04 0.00 0.00 64.34 61.35 3ghq n VAL 111 Cb 0.47 0.54 -0.02 0.00 -1.47 0.00 0.00 33.84 33.36 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 1.60 0.00 -1.84 6.34 -0.00 -0.60 -4.92 115.22 115.81 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 0.61 -1.20 0.00 0.00 -0.00 0.00 0.00 29.99 29.40 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 0.36 4.07 0.14 0.41 -0.08 0.27 -4.73 116.55 116.99 3ghq n ASP 113 Ca -0.04 -2.88 0.01 0.00 -1.51 0.00 0.00 54.79 50.37 3ghq n ASP 113 Cb 0.21 -1.64 0.33 0.00 2.34 0.00 0.00 41.12 42.36 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 6.01 0.16 -0.14 -0.67 0.05 -1.91 -1.74 116.97 118.71 3ghq h TYR 114 Ca 0.54 -0.03 -0.21 0.00 0.05 0.00 0.00 58.73 59.08 3ghq h TYR 114 Cb 0.64 -0.04 0.01 0.00 1.01 0.00 0.00 36.73 38.35 3ghq h TYR 114 CO 1.43 0.45 -0.76 -0.24 -1.05 0.00 0.00 178.16 177.99 3ghq h VAL 115 N 0.13 1.30 -0.84 -2.88 3.04 -1.96 0.61 116.25 115.64 3ghq h VAL 115 Ca 0.02 -2.00 0.09 0.00 -1.01 0.00 0.00 66.70 63.80 3ghq h VAL 115 Cb 0.62 1.99 -0.07 0.00 -2.01 0.00 0.00 31.29 31.82 3ghq h VAL 115 CO 0.05 0.63 0.49 0.28 -1.01 0.00 0.00 177.57 178.01 3ghq h SER 116 N 0.49 0.73 -0.31 3.17 0.02 -1.93 -1.02 113.55 114.70 3ghq h SER 116 Ca -0.04 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3ghq h SER 116 Cb 1.37 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3ghq h SER 116 CO 0.15 0.43 0.17 -0.09 -1.14 0.00 0.00 176.83 176.35 3ghq h ARG 117 N 0.85 0.44 -0.10 3.45 2.43 -0.96 -0.56 114.38 119.93 3ghq h ARG 117 Ca 0.39 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 3ghq h ARG 117 Cb 0.31 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3ghq h ARG 117 CO -0.22 0.38 0.03 0.22 -1.51 0.00 0.00 179.97 178.87 3ghq h ASP 118 N 0.38 0.04 -0.56 -3.80 3.58 -0.44 0.18 116.42 115.80 3ghq h ASP 118 Ca 0.11 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.65 3ghq h ASP 118 Cb 0.07 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.06 3ghq h ASP 118 CO -0.02 0.04 0.22 -0.03 -2.88 0.00 0.00 179.24 176.57 3ghq h MET 119 N 0.08 0.41 -0.31 0.28 4.05 -1.03 -2.36 114.93 116.05 3ghq h MET 119 Ca 0.04 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.36 3ghq h MET 119 Cb 0.02 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 3ghq h MET 119 CO -0.04 0.27 -0.13 0.52 0.23 0.00 0.00 176.91 177.75 3ghq h MET 120 N 0.42 0.53 -0.48 0.39 2.86 0.15 -2.21 114.93 116.59 3ghq h MET 120 Ca 0.27 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 3ghq h MET 120 Cb 0.29 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3ghq h MET 120 CO -0.26 0.65 -0.04 0.82 1.06 0.00 0.00 176.91 179.15 3ghq h ILE 121 N 0.49 1.25 -0.45 -1.22 2.04 -0.28 -0.22 117.51 119.12 3ghq h ILE 121 Ca 0.09 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 3ghq h ILE 121 Cb 0.52 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3ghq h ILE 121 CO 0.03 0.37 0.21 -0.33 0.00 0.00 0.00 178.15 178.44 3ghq h GLU 122 N 0.75 0.65 -0.56 2.37 5.08 -1.02 -1.53 114.58 120.32 3ghq h GLU 122 Ca 0.14 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3ghq h GLU 122 Cb 0.51 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3ghq h GLU 122 CO 0.03 0.56 0.22 0.82 -1.00 0.00 0.00 179.01 179.64 3ghq h ILE 123 N 0.58 1.22 -0.43 3.13 2.04 -1.12 -1.70 117.51 121.24 3ghq h ILE 123 Ca 0.15 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.34 3ghq h ILE 123 Cb 0.13 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3ghq h ILE 123 CO -0.02 0.27 0.25 0.25 0.00 0.00 0.00 178.15 178.90 3ghq h LEU 124 N 0.77 0.41 -0.69 1.44 5.85 -0.81 0.83 115.31 123.10 3ghq h LEU 124 Ca 0.19 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.03 3ghq h LEU 124 Cb 0.20 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 3ghq h LEU 124 CO -0.02 0.29 0.29 -0.09 -0.34 0.00 0.00 178.44 178.57 3ghq h ARG 125 N 0.51 0.46 -0.80 1.25 2.43 -0.97 0.20 114.38 117.44 3ghq h ARG 125 Ca 0.17 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 3ghq h ARG 125 Cb 0.01 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 3ghq h ARG 125 CO -0.08 0.30 0.36 -0.44 -1.51 0.00 0.00 179.97 178.60 3ghq h ASP 126 N 0.47 1.07 -0.47 -3.80 3.45 -0.23 -2.19 116.42 114.72 3ghq h ASP 126 Ca 0.36 -0.14 -0.10 0.00 0.43 0.00 0.00 57.03 57.58 3ghq h ASP 126 Cb 0.48 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 3ghq h ASP 126 CO -0.34 0.91 -0.10 -0.33 -1.57 0.00 0.00 179.24 177.81 3ghq h GLU 127 N 1.15 0.90 -0.60 3.56 4.39 0.78 -2.15 114.58 122.61 3ghq h GLU 127 Ca 0.27 -0.34 0.02 0.00 0.34 0.00 0.00 59.36 59.66 3ghq h GLU 127 Cb 0.15 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 3ghq h GLU 127 CO -0.03 0.98 0.40 0.93 -1.16 0.00 0.00 179.01 180.13 3ghq h GLU 128 N 0.74 0.73 -0.15 2.33 5.08 -0.50 0.54 114.58 123.35 3ghq h GLU 128 Ca 0.12 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3ghq h GLU 128 Cb 0.65 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3ghq h GLU 128 CO 0.04 0.49 -0.00 0.78 -1.00 0.00 0.00 179.01 179.32 3ghq h GLY 129 N 0.76 0.14 1.00 -3.84 0.00 -0.79 -0.20 103.07 100.13 3ghq h GLY 129 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3ghq h GLY 129 CO -0.06 -0.03 0.32 0.45 0.00 0.00 0.00 176.54 177.22 3ghq h HIS 130 N 0.05 0.66 -0.20 5.60 3.86 -0.67 -1.85 115.15 122.60 3ghq h HIS 130 Ca 0.07 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3ghq h HIS 130 Cb 0.09 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 3ghq h HIS 130 CO -0.15 0.44 -0.08 0.82 0.86 0.00 0.00 177.93 179.82 3ghq h ILE 131 N 0.68 0.74 -0.43 2.45 2.04 -0.73 -0.23 117.51 122.03 3ghq h ILE 131 Ca 0.18 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.13 3ghq h ILE 131 Cb -0.04 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 3ghq h ILE 131 CO -0.04 0.00 -0.04 -0.78 0.00 0.00 0.00 178.15 177.29 3ghq h ASP 132 N -0.05 -0.27 0.08 1.72 1.82 -0.73 0.27 116.42 119.26 3ghq h ASP 132 Ca 0.10 0.11 -0.00 0.00 -0.39 0.00 0.00 57.03 56.85 3ghq h ASP 132 Cb 0.20 0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.42 3ghq h ASP 132 CO -0.23 -0.09 -0.04 -0.25 -1.61 0.00 0.00 179.24 177.02 3ghq h TRP 133 N 0.06 -0.10 -0.33 0.28 7.01 -0.84 -1.58 115.95 120.46 3ghq h TRP 133 Ca 0.21 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.25 3ghq h TRP 133 Cb 0.32 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.37 3ghq h TRP 133 CO -0.32 0.02 0.08 -0.07 -2.79 0.00 0.00 178.44 175.36 3ghq h LEU 134 N -0.19 0.05 -0.50 0.65 -0.00 -0.68 -1.29 115.31 113.34 3ghq h LEU 134 Ca -0.01 0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.94 3ghq h LEU 134 Cb 0.16 0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.84 3ghq h LEU 134 CO 0.02 0.06 0.29 -0.33 -0.00 0.00 0.00 178.44 178.49 3ghq h GLU 135 N 0.21 0.57 -0.30 1.13 5.08 -0.77 -1.57 114.58 118.91 3ghq h GLU 135 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3ghq h GLU 135 Cb 0.15 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3ghq h GLU 135 CO -0.19 0.37 0.20 1.15 -1.00 0.00 0.00 179.01 179.55 3ghq h THR 136 N 0.58 1.08 -0.57 1.13 2.02 -0.90 -1.30 112.91 114.95 3ghq h THR 136 Ca 0.21 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.26 3ghq h THR 136 Cb 0.04 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3ghq h THR 136 CO -0.10 0.08 0.34 -0.33 0.37 0.00 0.00 175.52 175.88 3ghq h GLU 137 N 0.41 0.66 -0.56 6.66 4.39 -0.86 0.34 114.58 125.62 3ghq h GLU 137 Ca 0.11 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 3ghq h GLU 137 Cb -0.04 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 3ghq h GLU 137 CO -0.02 0.44 0.12 -0.07 -1.16 0.00 0.00 179.01 178.31 3ghq h LEU 138 N 0.68 0.82 -0.49 1.33 3.38 -0.86 -1.03 115.31 119.14 3ghq h LEU 138 Ca 0.23 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 3ghq h LEU 138 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3ghq h LEU 138 CO -0.10 0.81 -0.41 0.44 0.09 0.00 0.00 178.44 179.27 3ghq h ASP 139 N 0.83 0.85 -0.85 -0.43 3.32 -0.84 -2.94 116.42 116.36 3ghq h ASP 139 Ca 0.18 -0.39 0.05 0.00 0.02 0.00 0.00 57.03 56.89 3ghq h ASP 139 Cb 0.33 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 3ghq h ASP 139 CO 0.00 1.15 0.53 -0.07 -1.72 0.00 0.00 179.24 179.13 3ghq h LEU 140 N 0.64 0.85 -0.61 1.55 3.38 -0.16 0.12 115.31 121.08 3ghq h LEU 140 Ca 0.05 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3ghq h LEU 140 Cb 0.97 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 3ghq h LEU 140 CO 0.09 0.55 0.33 0.40 0.09 0.00 0.00 178.44 179.91 3ghq h ILE 141 N 0.99 0.97 -0.31 1.22 2.04 -1.06 0.28 117.51 121.63 3ghq h ILE 141 Ca 0.36 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.93 3ghq h ILE 141 Cb 0.12 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3ghq h ILE 141 CO -0.16 0.11 -0.09 1.56 0.00 0.00 0.00 178.15 179.58 3ghq h GLN 142 N 0.62 0.62 -0.17 2.37 1.08 -1.20 -0.57 115.11 117.87 3ghq h GLN 142 Ca 0.27 -0.24 -0.18 0.00 -1.45 0.00 0.00 58.65 57.05 3ghq h GLN 142 Cb 0.16 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3ghq h GLN 142 CO -0.17 0.81 -0.58 0.87 -0.95 0.00 0.00 178.83 178.81 3ghq h LYS 143 N 0.39 0.69 -0.00 1.46 1.57 -0.15 -3.27 116.57 117.24 3ghq h LYS 143 Ca 0.08 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3ghq h LYS 143 Cb 0.59 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3ghq h LYS 143 CO 0.03 1.14 -0.96 0.00 -0.57 0.00 0.00 179.45 179.09 3ghq n MET 144 N -4.11 0.02 0.00 3.15 0.00 0.03 -5.09 117.12 111.12 3ghq n MET 144 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.62 3ghq n MET 144 Cb 0.64 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.36 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 -1.07 0.19 3.17 0.00 -0.22 -4.40 105.19 104.36 3ghq n GLY 145 Ca 0.04 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.51 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 0.46 -0.04 0.99 5.85 -1.92 -0.83 115.31 119.83 3ghq h LEU 146 Ca 0.00 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3ghq h LEU 146 Cb 0.00 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3ghq h LEU 146 CO 0.00 0.33 -0.06 1.56 -0.34 0.00 0.00 178.44 179.93 3ghq h GLN 147 N 0.56 -0.09 -0.49 1.25 4.20 -1.93 0.80 115.11 119.42 3ghq h GLN 147 Ca 0.17 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 3ghq h GLN 147 Cb -0.02 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3ghq h GLN 147 CO -0.06 -0.06 0.07 -0.91 -0.67 0.00 0.00 178.83 177.20 3ghq h ASN 148 N -0.09 0.72 -0.19 1.46 -0.26 -1.75 -1.89 115.58 113.59 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 -0.09 0.74 0.11 0.22 -1.06 0.00 0.00 177.43 177.35 3ghq h TYR 149 N 0.73 0.25 0.11 1.19 3.20 -0.32 -1.98 116.97 120.16 3ghq h TYR 149 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3ghq h TYR 149 Cb 0.35 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3ghq h TYR 149 CO 0.02 0.21 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.57 3ghq h LEU 150 N 0.22 -0.28 -1.45 2.82 4.07 -0.68 -1.81 115.31 118.20 3ghq h LEU 150 Ca 0.07 0.03 0.19 0.00 0.08 0.00 0.00 57.88 58.24 3ghq h LEU 150 Cb 0.04 0.10 -0.07 0.00 1.08 0.00 0.00 40.66 41.81 3ghq h LEU 150 CO -0.01 -0.17 0.59 -0.61 -1.08 0.00 0.00 178.44 177.16 3ghq h GLN 151 N -0.24 0.46 0.00 1.13 4.15 -1.20 0.30 115.11 119.70 3ghq h GLN 151 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3ghq h GLN 151 Cb 0.23 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3ghq h GLN 151 CO -0.03 0.30 0.00 0.00 -1.93 0.00 0.00 178.83 177.18 3ghq n ALA 152 N -2.49 1.93 0.78 3.38 0.00 -0.69 -2.63 120.51 120.79 3ghq n ALA 152 Ca 0.19 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.65 3ghq n ALA 152 Cb 0.64 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.40 1.64 -0.07 0.00 1.13 0.09 -4.64 117.38 114.12 3ghq n GLN 153 Ca 0.07 -1.63 -0.11 0.00 -1.94 0.00 0.00 57.00 53.38 3ghq n GLN 153 Cb 0.19 -1.36 -0.05 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 3.71 1.24 -3.23 5.09 2.04 -1.54 0.07 117.51 124.89 3ghq h ILE 154 Ca 0.00 -0.84 -0.68 0.00 1.00 0.00 0.00 64.86 64.35 3ghq h ILE 154 Cb 0.79 1.36 -0.14 0.00 -0.74 0.00 0.00 36.82 38.09 3ghq h ILE 154 CO 0.00 0.26 -0.60 0.00 0.00 0.00 0.00 178.15 177.81 3ghq s ARG 155 N -5.06 3.02 0.63 2.37 1.70 -1.26 -3.52 118.95 116.84 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 -0.01 0.00 -0.57 0.00 0.00 34.95 31.61 3ghq s ARG 155 CO 0.74 0.70 1.21 -1.83 -1.08 0.00 0.00 175.30 175.03 3ghq s GLU 156 N -1.02 2.74 -0.18 3.89 -1.05 -1.26 -4.45 118.70 117.37 3ghq s GLU 156 Ca 0.15 1.79 -0.24 0.00 -0.15 0.00 0.00 54.97 56.52 3ghq s GLU 156 Cb -0.11 -1.90 -0.02 0.00 -0.44 0.00 0.00 34.13 31.65 3ghq s GLU 156 CO 0.04 -1.38 0.75 -2.00 0.95 0.00 0.00 175.26 173.63 3ghq s GLU 157 N -3.53 4.27 0.00 -4.83 2.12 -1.26 -5.01 118.70 110.46 3ghq s GLU 157 Ca 0.76 0.87 0.05 0.00 0.36 0.00 0.00 54.97 57.01 3ghq s GLU 157 Cb -0.30 -3.57 0.30 0.00 0.26 0.00 0.00 34.13 30.82 3ghq s GLU 157 CO 0.37 -0.29 0.77 0.41 -0.54 0.00 0.00 175.26 175.98