#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gnq s ILE 2 N 0.00 3.83 -0.22 12.58 1.09 -0.89 -4.99 121.20 132.59 3gnq s ILE 2 Ca 0.00 -0.69 -0.05 0.00 -1.10 0.00 0.00 60.65 58.80 3gnq s ILE 2 Cb 0.00 -2.67 -0.02 0.00 -1.06 0.00 0.00 42.46 38.71 3gnq s ILE 2 CO 0.00 0.40 0.01 -0.13 -0.10 0.00 0.00 174.94 175.13 3gnq s ARG 3 N -1.42 3.56 0.09 2.79 0.52 -1.26 -0.11 118.95 123.12 3gnq s ARG 3 Ca 0.17 -0.54 0.09 0.00 -0.52 0.00 0.00 55.73 54.93 3gnq s ARG 3 Cb -0.11 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 3gnq s ARG 3 CO 0.08 -0.13 -0.20 0.08 0.02 0.00 0.00 175.30 175.16 3gnq s VAL 4 N 1.37 2.71 0.03 3.52 1.01 1.00 -0.85 120.40 129.19 3gnq s VAL 4 Ca 0.05 -1.42 0.06 0.00 0.00 0.00 0.00 61.98 60.67 3gnq s VAL 4 Cb -0.15 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3gnq s VAL 4 CO 0.01 0.19 -0.18 0.00 0.00 0.00 0.00 175.10 175.12 3gnq s ALA 5 N -1.04 1.55 -0.20 5.51 0.00 -0.89 -1.17 121.76 125.52 3gnq s ALA 5 Ca 0.16 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 3gnq s ALA 5 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3gnq s ALA 5 CO 0.07 0.34 -0.04 0.42 0.00 0.00 0.00 175.76 176.56 3gnq s ILE 6 N -0.73 3.56 -0.36 0.00 1.01 -1.15 0.18 121.20 123.71 3gnq s ILE 6 Ca 0.06 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 3gnq s ILE 6 Cb -0.08 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.81 3gnq s ILE 6 CO 0.01 0.44 0.18 0.21 0.00 0.00 0.00 174.94 175.78 3gnq s ASN 7 N 1.17 5.63 0.00 3.58 2.47 0.88 -0.25 114.94 128.42 3gnq s ASN 7 Ca 0.02 -0.92 0.00 0.00 0.42 0.00 0.00 52.86 52.38 3gnq s ASN 7 Cb -0.14 -2.00 0.00 0.00 -1.45 0.00 0.00 41.25 37.66 3gnq s ASN 7 CO -0.00 -0.34 0.00 0.61 -3.72 0.00 0.00 177.10 173.65 3gnq n GLY 8 N 4.97 -0.71 2.54 1.21 0.00 0.10 0.98 105.19 114.27 3gnq n GLY 8 Ca -0.12 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 3gnq n GLY 8 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gnq n TYR 9 N 0.00 2.32 -2.23 1.61 -0.00 -1.17 -3.56 117.16 114.14 3gnq n TYR 9 Ca 0.00 -2.46 0.00 0.00 -0.00 0.00 0.00 57.90 55.44 3gnq n TYR 9 Cb 0.00 -1.55 0.00 0.00 -0.00 0.00 0.00 39.34 37.79 3gnq n TYR 9 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3gnq n GLY 10 N 1.04 4.71 0.27 2.98 0.00 -1.26 -4.40 105.19 108.53 3gnq n GLY 10 Ca 0.55 -1.97 0.03 0.00 0.00 0.00 0.00 46.02 44.63 3gnq n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gnq h ARG 11 N 0.00 0.06 0.19 1.61 2.47 -1.92 0.32 114.38 117.11 3gnq h ARG 11 Ca 0.00 -0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 3gnq h ARG 11 Cb 0.00 -0.01 0.02 0.00 -1.65 0.00 0.00 29.97 28.33 3gnq h ARG 11 CO 0.00 0.04 -1.38 0.82 0.56 0.00 0.00 179.97 180.01 3gnq h ILE 12 N 0.06 1.22 -0.48 2.04 1.08 -1.89 -3.01 117.51 116.52 3gnq h ILE 12 Ca 0.38 -2.57 0.09 0.00 -0.39 0.00 0.00 64.86 62.37 3gnq h ILE 12 Cb 0.63 2.97 -0.10 0.00 -3.07 0.00 0.00 36.82 37.25 3gnq h ILE 12 CO -0.68 0.78 -0.29 1.23 -0.69 0.00 0.00 178.15 178.51 3gnq h GLY 13 N 0.13 -0.08 1.41 5.37 0.00 -1.35 -1.94 103.07 106.61 3gnq h GLY 13 Ca -0.26 0.37 -0.25 0.00 0.00 0.00 0.00 47.33 47.19 3gnq h GLY 13 CO 0.19 -0.21 -1.03 3.21 0.00 0.00 0.00 176.54 178.70 3gnq h ARG 14 N -0.18 0.52 0.00 4.80 3.08 -1.11 -3.18 114.38 118.31 3gnq h ARG 14 Ca 0.21 -0.59 -0.04 0.00 0.07 0.00 0.00 59.98 59.63 3gnq h ARG 14 Cb 0.52 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3gnq h ARG 14 CO -0.58 1.22 -0.19 -0.91 -1.07 0.00 0.00 179.97 178.44 3gnq h ASN 15 N 0.28 0.00 -0.18 7.04 2.35 -1.42 0.27 115.58 123.92 3gnq h ASN 15 Ca -0.11 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 3gnq h ASN 15 Cb 1.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.04 3gnq h ASN 15 CO 0.19 0.19 -0.00 0.74 -1.65 0.00 0.00 177.43 176.89 3gnq h THR 16 N 0.00 1.26 -0.19 2.81 2.02 -1.40 -0.13 112.91 117.27 3gnq h THR 16 Ca -0.00 -0.88 0.02 0.00 0.77 0.00 0.00 66.41 66.32 3gnq h THR 16 Cb 0.77 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 3gnq h THR 16 CO 0.02 0.26 0.08 0.25 0.37 0.00 0.00 175.52 176.51 3gnq h LEU 17 N 0.08 0.10 -1.00 2.58 6.46 -1.35 -0.21 115.31 121.97 3gnq h LEU 17 Ca 0.05 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.84 3gnq h LEU 17 Cb 0.40 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.28 3gnq h LEU 17 CO 0.01 0.09 0.66 0.03 -0.62 0.00 0.00 178.44 178.61 3gnq h ARG 18 N 0.18 1.32 -0.03 1.25 3.08 -0.47 -1.12 114.38 118.58 3gnq h ARG 18 Ca 0.08 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 3gnq h ARG 18 Cb 0.04 -0.30 -0.01 0.00 0.08 0.00 0.00 29.97 29.77 3gnq h ARG 18 CO -0.07 0.87 -0.52 0.00 -1.07 0.00 0.00 179.97 179.19 3gnq h ALA 19 N 1.37 1.08 -0.58 0.04 0.00 -0.88 0.78 119.26 121.08 3gnq h ALA 19 Ca 0.37 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gnq h ALA 19 Cb -0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3gnq h ALA 19 CO -0.08 0.65 0.37 0.35 0.00 0.00 0.00 179.25 180.55 3gnq h PHE 20 N 0.07 0.70 0.18 0.00 3.57 0.23 -2.56 116.94 119.13 3gnq h PHE 20 Ca -0.00 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.21 3gnq h PHE 20 Cb 0.94 -0.23 0.02 0.00 2.79 0.00 0.00 35.95 39.46 3gnq h PHE 20 CO 0.01 0.43 -1.35 1.88 -2.23 0.00 0.00 178.31 177.04 3gnq h TYR 21 N 0.75 0.71 0.00 0.41 -1.99 -1.22 -2.43 116.97 113.20 3gnq h TYR 21 Ca 0.22 -0.52 -0.07 0.00 2.00 0.00 0.00 58.73 60.36 3gnq h TYR 21 Cb -0.05 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 3gnq h TYR 21 CO -0.04 1.41 -0.33 0.93 -0.00 0.00 0.00 178.16 180.12 3gnq h GLU 22 N 0.11 0.00 0.00 4.88 5.08 -0.87 -1.79 114.58 121.99 3gnq h GLU 22 Ca -0.19 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 3gnq h GLU 22 Cb 2.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 3gnq h GLU 22 CO 0.24 0.33 -0.34 -0.97 -1.00 0.00 0.00 179.01 177.27 3gnq h ASN 23 N 0.00 0.00 0.00 1.42 -1.24 -1.56 -3.47 115.58 110.72 3gnq h ASN 23 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3gnq h ASN 23 Cb 0.74 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.79 3gnq h ASN 23 CO 0.04 0.34 0.00 0.61 -1.29 0.00 0.00 177.43 177.13 3gnq n GLY 24 N -0.36 1.58 2.45 1.57 0.00 -0.67 -4.51 105.19 105.24 3gnq n GLY 24 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3gnq n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gnq n LYS 25 N -1.37 -1.64 -0.36 1.61 5.02 -0.91 -4.89 118.16 115.62 3gnq n LYS 25 Ca 0.00 1.04 0.07 0.00 -2.02 0.00 0.00 58.31 57.40 3gnq n LYS 25 Cb 0.00 -5.60 0.24 0.00 -0.02 0.00 0.00 35.03 29.65 3gnq n LYS 25 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3gnq h LYS 26 N 0.00 0.96 -6.46 1.97 1.57 -1.81 -3.42 116.57 109.38 3gnq h LYS 26 Ca -0.45 -0.06 -0.53 0.00 -1.87 0.00 0.00 60.65 57.74 3gnq h LYS 26 Cb 1.33 -0.22 0.03 0.00 0.08 0.00 0.00 32.23 33.45 3gnq h LYS 26 CO 0.57 0.64 1.03 -1.01 -0.57 0.00 0.00 179.45 180.11 3gnq s HIS 27 N -5.96 2.35 -1.43 -1.35 3.76 -1.26 -4.85 115.29 106.54 3gnq s HIS 27 Ca -0.12 0.24 -0.11 0.00 -0.15 0.00 0.00 55.06 54.92 3gnq s HIS 27 Cb 0.22 -4.02 -0.06 0.00 1.11 0.00 0.00 32.58 29.84 3gnq s HIS 27 CO 0.81 -4.11 2.62 -3.47 -0.85 0.00 0.00 174.74 169.74 3gnq n ASP 28 N 5.63 6.81 -4.15 1.40 2.03 -1.26 -4.80 116.55 122.22 3gnq n ASP 28 Ca 0.16 -2.59 -0.13 0.00 0.52 0.00 0.00 54.79 52.75 3gnq n ASP 28 Cb 0.40 -1.48 -0.10 0.00 -0.72 0.00 0.00 41.12 39.22 3gnq n ASP 28 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 3gnq s LEU 29 N 0.63 1.25 -0.03 -2.67 -0.00 -1.26 -2.10 118.68 114.51 3gnq s LEU 29 Ca 0.60 -1.42 0.03 0.00 -0.00 0.00 0.00 54.13 53.33 3gnq s LEU 29 Cb 0.16 0.35 0.00 0.00 -0.00 0.00 0.00 46.19 46.70 3gnq s LEU 29 CO -0.05 -0.85 -0.09 -1.83 -0.00 0.00 0.00 176.35 173.53 3gnq s GLU 30 N -4.09 0.97 -0.25 1.48 1.03 0.85 -4.87 118.70 113.82 3gnq s GLU 30 Ca 0.39 -0.31 -0.18 0.00 0.03 0.00 0.00 54.97 54.89 3gnq s GLU 30 Cb 0.07 -0.91 -0.03 0.00 -0.80 0.00 0.00 34.13 32.46 3gnq s GLU 30 CO 0.13 0.12 0.54 0.42 -1.33 0.00 0.00 175.26 175.14 3gnq s ILE 31 N 0.17 5.06 -0.04 1.83 1.01 -1.26 -0.00 121.20 127.97 3gnq s ILE 31 Ca -0.03 0.94 0.05 0.00 0.00 0.00 0.00 60.65 61.61 3gnq s ILE 31 Cb -0.08 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 3gnq s ILE 31 CO 0.00 0.09 0.05 1.33 0.00 0.00 0.00 174.94 176.41 3gnq n VAL 32 N 5.05 0.24 -4.18 2.92 0.24 -0.32 -4.77 118.33 117.51 3gnq n VAL 32 Ca -0.04 -0.18 -0.11 0.00 -2.04 0.00 0.00 64.34 61.97 3gnq n VAL 32 Cb 0.50 -0.49 -0.10 0.00 -1.47 0.00 0.00 33.84 32.28 3gnq n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gnq s ALA 33 N -2.20 1.01 -0.28 2.33 0.00 -1.23 -2.08 121.76 119.31 3gnq s ALA 33 Ca -0.02 -1.60 -0.10 0.00 0.00 0.00 0.00 51.96 50.24 3gnq s ALA 33 Cb 0.02 1.30 0.12 0.00 0.00 0.00 0.00 23.12 24.55 3gnq s ALA 33 CO 0.21 -0.60 0.62 0.42 0.00 0.00 0.00 175.76 176.41 3gnq s ILE 34 N -4.13 -0.83 -0.10 0.00 1.09 -0.74 -2.93 121.20 113.55 3gnq s ILE 34 Ca 0.36 0.03 0.02 0.00 -1.10 0.00 0.00 60.65 59.96 3gnq s ILE 34 Cb 0.06 -0.94 -0.01 0.00 -1.06 0.00 0.00 42.46 40.51 3gnq s ILE 34 CO 0.10 0.01 -0.18 0.21 -0.10 0.00 0.00 174.94 174.99 3gnq s ASN 35 N 2.70 3.66 0.00 3.58 2.47 0.66 -1.60 114.94 126.41 3gnq s ASN 35 Ca -0.06 -0.39 0.00 0.00 0.42 0.00 0.00 52.86 52.83 3gnq s ASN 35 Cb -0.11 -1.34 0.00 0.00 -1.45 0.00 0.00 41.25 38.35 3gnq s ASN 35 CO -0.18 0.20 0.00 -0.67 -3.72 0.00 0.00 177.10 172.73 3gnq n ASP 36 N 3.26 0.00 -0.00 -4.21 2.03 -1.10 0.01 116.55 116.53 3gnq n ASP 36 Ca -0.18 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.22 3gnq n ASP 36 Cb 0.53 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.81 3gnq n ASP 36 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3gnq n LEU 37 N 0.00 0.50 -4.79 -2.67 4.77 -1.26 -4.12 117.00 109.43 3gnq n LEU 37 Ca 0.00 -0.30 -0.30 0.00 -0.03 0.00 0.00 56.01 55.38 3gnq n LEU 37 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3gnq n LEU 37 CO 0.00 0.12 -0.15 -0.83 -1.33 0.00 0.00 177.39 175.20 3gnq s GLY 38 N -3.23 2.70 0.90 -0.72 0.00 -1.26 -4.93 107.32 100.78 3gnq s GLY 38 Ca 0.01 -1.01 -0.12 0.00 0.00 0.00 0.00 44.72 43.60 3gnq s GLY 38 CO 0.73 -2.08 1.11 0.51 0.00 0.00 0.00 173.10 173.38 3gnq s ASP 39 N -3.99 3.58 0.40 1.64 3.84 -1.26 -4.76 116.67 116.13 3gnq s ASP 39 Ca 0.21 1.14 0.09 0.00 -0.00 0.00 0.00 52.55 53.99 3gnq s ASP 39 Cb 0.01 -1.78 0.85 0.00 -1.38 0.00 0.00 42.92 40.62 3gnq s ASP 39 CO 0.12 -2.53 1.98 0.00 -0.00 0.00 0.00 175.17 174.74 3gnq h ALA 40 N -1.48 1.61 -0.72 2.11 0.00 -1.90 -2.40 119.26 116.49 3gnq h ALA 40 Ca -0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 3gnq h ALA 40 Cb 1.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3gnq h ALA 40 CO 0.60 0.29 0.35 1.57 0.00 0.00 0.00 179.25 182.06 3gnq h LYS 41 N 0.31 1.02 0.30 0.00 2.10 -1.92 0.19 116.57 118.58 3gnq h LYS 41 Ca 0.07 -0.15 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 3gnq h LYS 41 Cb 0.20 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 3gnq h LYS 41 CO 0.00 0.80 -0.22 1.15 -2.00 0.00 0.00 179.45 179.18 3gnq h THR 42 N 1.00 0.54 -0.61 0.07 2.02 -1.80 -0.10 112.91 114.03 3gnq h THR 42 Ca 0.25 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.39 3gnq h THR 42 Cb 0.10 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3gnq h THR 42 CO -0.03 0.00 0.24 0.78 0.37 0.00 0.00 175.52 176.87 3gnq h ASN 43 N -0.52 0.82 -0.44 4.18 2.35 -1.42 -1.07 115.58 119.48 3gnq h ASN 43 Ca -0.02 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3gnq h ASN 43 Cb 0.45 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3gnq h ASN 43 CO 0.00 0.74 0.24 0.00 -1.65 0.00 0.00 177.43 176.77 3gnq h ALA 44 N 1.38 0.57 -0.05 -0.83 0.00 -0.72 -1.57 119.26 118.05 3gnq h ALA 44 Ca 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gnq h ALA 44 Cb 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gnq h ALA 44 CO -0.02 0.09 0.02 1.25 0.00 0.00 0.00 179.25 180.60 3gnq h HIS 45 N 0.58 0.07 0.00 0.00 -0.00 -0.37 -1.93 115.15 113.49 3gnq h HIS 45 Ca 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 3gnq h HIS 45 Cb 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 3gnq h HIS 45 CO -0.02 0.14 0.00 -0.07 -0.00 0.00 0.00 177.93 177.98 3gnq h LEU 46 N -0.03 0.00 -0.22 0.26 3.38 -1.17 -1.24 115.31 116.30 3gnq h LEU 46 Ca 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 3gnq h LEU 46 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3gnq h LEU 46 CO -0.00 0.00 -0.89 0.74 0.09 0.00 0.00 178.44 178.37 3gnq h THR 47 N 0.00 1.39 0.24 0.22 2.02 -0.99 -3.35 112.91 112.44 3gnq h THR 47 Ca 0.00 -2.37 -0.33 0.00 0.77 0.00 0.00 66.41 64.48 3gnq h THR 47 Cb 0.44 2.34 0.03 0.00 -1.74 0.00 0.00 68.15 69.22 3gnq h THR 47 CO 0.00 0.71 -1.48 -0.61 0.37 0.00 0.00 175.52 174.51 3gnq h GLN 48 N 0.25 0.50 -5.43 6.66 5.75 -0.61 -3.40 115.11 118.83 3gnq h GLN 48 Ca -0.07 -0.86 -0.66 0.00 -0.15 0.00 0.00 58.65 56.91 3gnq h GLN 48 Cb 1.52 0.32 -0.28 0.00 1.07 0.00 0.00 27.48 30.11 3gnq h GLN 48 CO 0.16 1.41 -0.79 0.71 -2.65 0.00 0.00 178.83 177.67 3gnq s TYR 49 N -2.61 2.75 -0.05 3.99 2.02 -0.54 -1.68 117.35 121.23 3gnq s TYR 49 Ca -0.09 -0.67 -0.04 0.00 -0.37 0.00 0.00 57.07 55.90 3gnq s TYR 49 Cb 0.05 -1.80 0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3gnq s TYR 49 CO 0.93 -0.21 0.13 0.34 -1.57 0.00 0.00 175.55 175.17 3gnq s ASP 50 N 0.24 -0.12 0.01 2.29 3.68 -1.06 -4.56 116.67 117.15 3gnq s ASP 50 Ca -0.10 0.26 -0.18 0.00 2.13 0.00 0.00 52.55 54.66 3gnq s ASP 50 Cb -0.16 0.24 -0.10 0.00 -1.45 0.00 0.00 42.92 41.45 3gnq s ASP 50 CO 0.06 -0.07 1.00 0.74 0.13 0.00 0.00 175.17 177.02 3gnq h THR 51 N 5.25 0.00 -0.49 1.71 2.02 -1.98 -1.32 112.91 118.11 3gnq h THR 51 Ca -0.30 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 3gnq h THR 51 Cb 1.18 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3gnq h THR 51 CO 0.43 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.49 3gnq h ALA 52 N -1.50 1.37 -0.09 6.16 0.00 -1.97 -3.21 119.26 120.01 3gnq h ALA 52 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3gnq h ALA 52 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gnq h ALA 52 CO 0.11 0.46 0.00 0.72 0.00 0.00 0.00 179.25 180.54 3gnq n HIS 53 N -4.33 0.12 -4.40 0.00 8.25 -1.26 -4.95 115.22 108.66 3gnq n HIS 53 Ca 0.04 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 3gnq n HIS 53 Cb 0.18 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3gnq n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gnq n GLY 54 N -0.18 -1.33 3.77 -1.41 0.00 -0.50 -4.80 105.19 100.74 3gnq n GLY 54 Ca 0.03 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 3gnq n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gnq s LYS 55 N 0.00 4.52 -0.04 1.61 2.20 -1.26 -2.55 119.74 124.23 3gnq s LYS 55 Ca 0.00 1.58 -0.30 0.00 -0.36 0.00 0.00 55.97 56.89 3gnq s LYS 55 Cb 0.00 -2.93 -0.06 0.00 -1.51 0.00 0.00 37.83 33.33 3gnq s LYS 55 CO 0.00 0.17 1.60 0.12 -0.36 0.00 0.00 175.35 176.87 3gnq s PHE 56 N -1.40 2.21 0.25 4.03 5.36 -0.68 -4.94 117.98 122.81 3gnq s PHE 56 Ca 0.49 0.34 -0.12 0.00 -0.96 0.00 0.00 56.93 56.69 3gnq s PHE 56 Cb -0.25 -3.86 0.34 0.00 -0.34 0.00 0.00 43.02 38.91 3gnq s PHE 56 CO 0.32 -3.53 1.49 -2.30 -1.46 0.00 0.00 175.22 169.74 3gnq n PRO 57 N 6.64 -0.15 0.00 10.12 -0.02 -1.26 -4.72 135.00 145.61 3gnq n PRO 57 Ca 0.16 1.48 0.00 0.00 -2.02 0.00 0.00 63.50 63.13 3gnq n PRO 57 Cb 0.43 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3gnq n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gnq n GLY 58 N -1.53 1.14 3.56 -1.23 0.00 -1.26 -5.09 105.19 100.78 3gnq n GLY 58 Ca 0.13 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 3gnq n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gnq s GLU 59 N 2.12 3.75 0.03 1.61 2.02 -1.26 -5.03 118.70 121.94 3gnq s GLU 59 Ca 0.00 -0.45 0.06 0.00 0.02 0.00 0.00 54.97 54.60 3gnq s GLU 59 Cb 0.00 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 3gnq s GLU 59 CO 0.00 0.28 -0.16 0.08 0.02 0.00 0.00 175.26 175.48 3gnq s VAL 60 N 0.28 1.28 0.30 2.63 1.01 -1.26 -1.82 120.40 122.82 3gnq s VAL 60 Ca -0.01 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 3gnq s VAL 60 Cb -0.13 -1.13 0.05 0.00 0.00 0.00 0.00 36.38 35.16 3gnq s VAL 60 CO 0.02 0.12 0.81 -0.94 0.00 0.00 0.00 175.10 175.11 3gnq s SER 61 N -1.02 -0.11 0.11 3.32 1.04 -0.38 -5.01 113.70 111.64 3gnq s SER 61 Ca 0.04 -0.82 0.10 0.00 0.48 0.00 0.00 55.95 55.75 3gnq s SER 61 Cb -0.08 0.73 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 3gnq s SER 61 CO 0.01 -1.41 -0.26 -0.69 0.98 0.00 0.00 173.24 171.88 3gnq s VAL 62 N -2.97 2.32 -0.37 5.02 1.01 -1.26 0.11 120.40 124.26 3gnq s VAL 62 Ca 0.14 -1.64 0.01 0.00 0.00 0.00 0.00 61.98 60.49 3gnq s VAL 62 Cb -0.05 -2.00 0.15 0.00 0.00 0.00 0.00 36.38 34.47 3gnq s VAL 62 CO 0.08 0.16 0.24 -0.62 0.00 0.00 0.00 175.10 174.96 3gnq s ASP 63 N -1.88 2.72 0.48 3.32 -1.08 0.58 -4.93 116.67 115.88 3gnq s ASP 63 Ca 0.14 -2.41 0.00 0.00 -0.52 0.00 0.00 52.55 49.76 3gnq s ASP 63 Cb -0.10 -0.46 0.00 0.00 -1.46 0.00 0.00 42.92 40.90 3gnq s ASP 63 CO 0.06 -0.28 0.00 0.61 0.52 0.00 0.00 175.17 176.08 3gnq n GLY 64 N 3.75 0.44 0.76 2.66 0.00 -1.26 -0.85 105.19 110.70 3gnq n GLY 64 Ca 0.15 0.71 0.12 0.00 0.00 0.00 0.00 46.02 47.01 3gnq n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gnq n ASP 65 N 5.28 2.32 -4.27 1.61 10.43 -1.26 -4.77 116.55 125.89 3gnq n ASP 65 Ca 0.00 -1.78 -0.32 0.00 2.57 0.00 0.00 54.79 55.26 3gnq n ASP 65 Cb 0.00 -0.07 -0.16 0.00 1.84 0.00 0.00 41.12 42.73 3gnq n ASP 65 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3gnq s TYR 66 N -1.87 2.66 0.14 1.24 1.51 -0.03 -1.70 117.35 119.30 3gnq s TYR 66 Ca 0.34 -0.94 -0.28 0.00 -1.01 0.00 0.00 57.07 55.17 3gnq s TYR 66 Cb 0.20 -1.77 -0.07 0.00 -0.11 0.00 0.00 41.96 40.21 3gnq s TYR 66 CO 0.31 -0.37 0.89 -1.17 -1.11 0.00 0.00 175.55 174.10 3gnq s LEU 67 N 0.41 4.54 -0.16 -1.29 0.20 0.55 -0.30 118.68 122.62 3gnq s LEU 67 Ca -0.15 1.75 0.01 0.00 0.69 0.00 0.00 54.13 56.43 3gnq s LEU 67 Cb -0.17 -3.49 0.02 0.00 -0.43 0.00 0.00 46.19 42.13 3gnq s LEU 67 CO 0.07 0.04 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.32 3gnq s VAL 68 N -0.45 1.74 -0.23 1.68 1.01 0.12 -0.03 120.40 124.23 3gnq s VAL 68 Ca 0.42 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3gnq s VAL 68 Cb -0.23 -1.62 0.05 0.00 0.00 0.00 0.00 36.38 34.57 3gnq s VAL 68 CO 0.29 0.46 -0.13 -0.69 0.00 0.00 0.00 175.10 175.02 3gnq s VAL 69 N 1.41 2.04 -1.46 2.92 1.01 -0.30 -1.25 120.40 124.77 3gnq s VAL 69 Ca 0.04 -1.33 -0.04 0.00 0.00 0.00 0.00 61.98 60.65 3gnq s VAL 69 Cb -0.13 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3gnq s VAL 69 CO -0.11 0.16 0.53 0.59 0.00 0.00 0.00 175.10 176.27 3gnq n ASN 70 N 4.53 -1.16 0.00 3.32 3.02 -0.76 -1.82 115.26 122.39 3gnq n ASN 70 Ca -0.16 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3gnq n ASN 70 Cb 0.45 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 3gnq n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gnq n GLY 71 N -1.84 2.28 3.77 7.41 0.00 -1.26 -5.01 105.19 110.53 3gnq n GLY 71 Ca -0.22 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 3gnq n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gnq s ASP 72 N 0.04 6.40 -0.10 1.61 1.11 -0.76 -5.01 116.67 119.96 3gnq s ASP 72 Ca 0.00 2.81 0.01 0.00 0.18 0.00 0.00 52.55 55.55 3gnq s ASP 72 Cb 0.00 -2.65 -0.02 0.00 1.07 0.00 0.00 42.92 41.32 3gnq s ASP 72 CO 0.00 -0.81 -0.13 -0.13 1.18 0.00 0.00 175.17 175.28 3gnq s ARG 73 N -2.10 3.08 -0.08 8.23 0.52 -1.26 -1.15 118.95 126.19 3gnq s ARG 73 Ca 0.54 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 3gnq s ARG 73 Cb -0.42 -2.54 0.03 0.00 0.52 0.00 0.00 34.95 32.54 3gnq s ARG 73 CO 0.55 0.36 -0.00 0.42 0.02 0.00 0.00 175.30 176.65 3gnq s ILE 74 N -0.03 0.44 0.47 1.52 1.01 0.95 -4.85 121.20 120.70 3gnq s ILE 74 Ca -0.03 0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.45 3gnq s ILE 74 Cb -0.14 -0.60 -0.07 0.00 0.01 0.00 0.00 42.46 41.66 3gnq s ILE 74 CO 0.04 0.25 1.16 -0.60 0.00 0.00 0.00 174.94 175.79 3gnq s ARG 75 N 1.95 3.72 -0.24 2.79 3.52 -0.89 -0.33 118.95 129.47 3gnq s ARG 75 Ca 0.05 1.75 -0.00 0.00 -0.13 0.00 0.00 55.73 57.40 3gnq s ARG 75 Cb -0.12 -2.37 0.03 0.00 -1.56 0.00 0.00 34.95 30.93 3gnq s ARG 75 CO -0.06 -0.58 -0.09 0.08 -0.81 0.00 0.00 175.30 173.85 3gnq s VAL 76 N -1.57 2.59 0.25 7.11 1.01 -0.69 -1.79 120.40 127.30 3gnq s VAL 76 Ca 0.64 -1.18 0.07 0.00 0.00 0.00 0.00 61.98 61.52 3gnq s VAL 76 Cb -0.28 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3gnq s VAL 76 CO 0.34 0.18 0.18 -0.76 0.00 0.00 0.00 175.10 175.03 3gnq s LEU 77 N 1.26 3.77 -0.36 3.92 1.43 -0.63 -4.90 118.68 123.17 3gnq s LEU 77 Ca -0.02 -0.27 0.13 0.00 -1.03 0.00 0.00 54.13 52.94 3gnq s LEU 77 Cb -0.17 -2.30 0.38 0.00 0.03 0.00 0.00 46.19 44.13 3gnq s LEU 77 CO -0.06 -0.03 0.84 0.00 0.23 0.00 0.00 176.35 177.34 3gnq n ALA 78 N -1.10 2.15 -3.74 4.21 0.00 -1.26 -2.72 120.51 118.05 3gnq n ALA 78 Ca -0.08 -3.10 -0.34 0.00 0.00 0.00 0.00 53.44 49.92 3gnq n ALA 78 Cb 0.58 -0.95 -0.15 0.00 0.00 0.00 0.00 19.45 18.93 3gnq n ALA 78 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3gnq s ASN 79 N -2.49 4.05 0.38 0.00 3.84 -1.26 -4.91 114.94 114.56 3gnq s ASN 79 Ca 0.34 -0.67 0.20 0.00 0.21 0.00 0.00 52.86 52.94 3gnq s ASN 79 Cb 0.38 -1.65 0.69 0.00 -0.55 0.00 0.00 41.25 40.12 3gnq s ASN 79 CO -0.04 -0.07 1.73 0.03 -2.79 0.00 0.00 177.10 175.96 3gnq h ARG 80 N 8.03 0.00 -5.92 0.43 3.08 -1.98 -3.40 114.38 114.62 3gnq h ARG 80 Ca -0.38 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.06 3gnq h ARG 80 Cb 1.13 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.07 3gnq h ARG 80 CO 0.60 0.35 0.47 1.21 -1.07 0.00 0.00 179.97 181.53 3gnq s ASN 81 N -6.39 6.57 0.41 7.04 3.84 -1.26 -4.93 114.94 120.22 3gnq s ASN 81 Ca 0.00 0.36 0.28 0.00 0.21 0.00 0.00 52.86 53.72 3gnq s ASN 81 Cb 0.11 -2.42 1.06 0.00 -0.55 0.00 0.00 41.25 39.45 3gnq s ASN 81 CO 0.68 -0.82 1.83 1.55 -2.79 0.00 0.00 177.10 177.55 3gnq h PRO 82 N 8.58 0.00 -0.80 0.43 0.13 -1.92 -3.12 132.00 135.31 3gnq h PRO 82 Ca -0.24 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 3gnq h PRO 82 Cb 1.09 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 3gnq h PRO 82 CO 0.95 0.00 0.38 0.00 -0.23 0.00 0.00 178.00 179.09 3gnq h ALA 83 N 2.14 1.03 -0.65 -0.56 0.00 -1.92 -2.98 119.26 116.32 3gnq h ALA 83 Ca 0.00 -0.16 -0.35 0.00 0.00 0.00 0.00 54.91 54.40 3gnq h ALA 83 Cb 0.55 -0.31 -0.20 0.00 0.00 0.00 0.00 17.79 17.82 3gnq h ALA 83 CO 0.00 0.60 0.44 -0.85 0.00 0.00 0.00 179.25 179.44 3gnq n GLU 84 N -4.35 1.84 -3.60 0.00 0.28 -1.18 -3.56 120.64 110.07 3gnq n GLU 84 Ca 0.07 -1.96 -0.34 0.00 -0.16 0.00 0.00 57.16 54.77 3gnq n GLU 84 Cb 0.14 -1.77 -0.05 0.00 1.43 0.00 0.00 31.44 31.19 3gnq n GLU 84 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3gnq s LEU 85 N -2.17 4.33 -0.15 -1.84 1.43 -1.13 -5.00 118.68 114.16 3gnq s LEU 85 Ca 0.37 0.75 -0.05 0.00 -1.03 0.00 0.00 54.13 54.18 3gnq s LEU 85 Cb 0.31 -3.03 -0.15 0.00 0.03 0.00 0.00 46.19 43.35 3gnq s LEU 85 CO 0.06 0.15 3.27 -0.81 0.23 0.00 0.00 176.35 179.25 3gnq n PRO 86 N 0.77 2.09 0.16 1.29 -0.04 -1.26 -4.55 135.00 133.45 3gnq n PRO 86 Ca -0.07 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 3gnq n PRO 86 Cb 0.52 -2.00 0.25 0.00 -0.04 0.00 0.00 33.50 32.24 3gnq n PRO 86 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3gnq h TRP 87 N 2.89 0.01 0.43 0.54 -0.00 -1.87 -2.84 115.95 115.11 3gnq h TRP 87 Ca 0.25 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.11 3gnq h TRP 87 Cb 1.24 -0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.40 3gnq h TRP 87 CO 1.61 0.51 -0.21 0.78 -0.00 0.00 0.00 178.44 181.13 3gnq h GLY 88 N 1.51 -0.60 0.96 1.49 0.00 -1.48 -0.87 103.07 104.07 3gnq h GLY 88 Ca -0.00 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.57 3gnq h GLY 88 CO 0.07 -0.22 0.62 -2.09 0.00 0.00 0.00 176.54 174.91 3gnq h GLU 89 N -0.62 1.20 0.00 4.80 4.81 -1.87 -0.12 114.58 122.77 3gnq h GLU 89 Ca -0.06 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3gnq h GLU 89 Cb 0.47 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3gnq h GLU 89 CO 0.10 0.79 0.00 -0.07 -0.73 0.00 0.00 179.01 179.10 3gnq h LEU 90 N 1.23 0.00 -1.68 1.64 3.38 -1.51 -3.47 115.31 114.91 3gnq h LEU 90 Ca 0.35 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.12 3gnq h LEU 90 Cb -0.09 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.76 3gnq h LEU 90 CO -0.09 0.00 -0.46 0.61 0.09 0.00 0.00 178.44 178.59 3gnq n GLY 91 N 0.49 -0.03 3.73 0.83 0.00 -0.06 -4.96 105.19 105.19 3gnq n GLY 91 Ca 0.02 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3gnq n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gnq s VAL 92 N -3.22 4.40 -0.08 1.61 1.01 -0.76 -4.80 120.40 118.57 3gnq s VAL 92 Ca 0.05 2.01 -0.07 0.00 0.00 0.00 0.00 61.98 63.97 3gnq s VAL 92 Cb -0.02 -4.29 -0.28 0.00 0.00 0.00 0.00 36.38 31.79 3gnq s VAL 92 CO 0.44 0.32 0.54 0.44 0.00 0.00 0.00 175.10 176.84 3gnq h ASP 93 N 5.48 0.47 -3.01 3.32 3.32 -1.35 -2.77 116.42 121.88 3gnq h ASP 93 Ca -0.43 -0.86 -0.39 0.00 0.02 0.00 0.00 57.03 55.38 3gnq h ASP 93 Cb 1.21 -0.15 -0.39 0.00 0.22 0.00 0.00 39.33 40.22 3gnq h ASP 93 CO 0.72 1.75 -0.71 -0.69 -1.72 0.00 0.00 179.24 178.59 3gnq s VAL 94 N -2.57 -0.17 -0.28 -1.35 1.01 -1.15 -0.86 120.40 115.03 3gnq s VAL 94 Ca -0.18 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 3gnq s VAL 94 Cb 0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 3gnq s VAL 94 CO 0.81 -0.10 0.75 -0.69 0.00 0.00 0.00 175.10 175.87 3gnq s VAL 95 N 2.21 4.86 -0.50 2.92 1.01 -0.53 -2.10 120.40 128.27 3gnq s VAL 95 Ca 0.04 1.24 -0.27 0.00 0.00 0.00 0.00 61.98 62.99 3gnq s VAL 95 Cb -0.15 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.18 3gnq s VAL 95 CO -0.08 -0.14 1.04 -0.04 0.00 0.00 0.00 175.10 175.88 3gnq s MET 96 N 2.80 3.56 -0.60 2.72 -1.94 0.13 -0.84 119.30 125.12 3gnq s MET 96 Ca 0.31 0.24 -0.24 0.00 -1.71 0.00 0.00 55.69 54.29 3gnq s MET 96 Cb -0.15 -3.95 0.05 0.00 2.01 0.00 0.00 34.83 32.79 3gnq s MET 96 CO 0.10 -1.39 0.97 -2.00 -0.01 0.00 0.00 175.02 172.70 3gnq s GLU 97 N 4.20 3.24 -0.15 2.03 2.56 0.67 -0.09 118.70 131.17 3gnq s GLU 97 Ca 0.41 -0.47 0.15 0.00 0.00 0.00 0.00 54.97 55.05 3gnq s GLU 97 Cb -0.09 -4.12 0.40 0.00 2.00 0.00 0.00 34.13 32.32 3gnq s GLU 97 CO 0.27 -1.65 1.20 0.00 -0.56 0.00 0.00 175.26 174.52 3gnq n THR 99 N -0.72 0.79 -0.37 0.00 -2.24 -0.98 -4.56 114.28 106.19 3gnq n THR 99 Ca 0.15 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3gnq n THR 99 Cb 0.80 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3gnq n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gnq n GLY 100 N 1.27 1.55 0.23 3.38 0.00 -1.26 -4.90 105.19 105.45 3gnq n GLY 100 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.07 3gnq n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gnq n PHE 101 N -2.00 0.00 -3.06 1.61 3.01 -1.26 -4.63 117.46 111.13 3gnq n PHE 101 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 3gnq n PHE 101 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 3gnq n PHE 101 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3gnq n PHE 102 N -0.73 1.95 0.45 1.38 3.72 -1.26 -4.92 117.46 118.05 3gnq n PHE 102 Ca 0.06 -3.87 0.12 0.00 -0.05 0.00 0.00 57.45 53.71 3gnq n PHE 102 Cb 0.35 -0.44 0.12 0.00 -0.94 0.00 0.00 39.48 38.57 3gnq n PHE 102 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3gnq h THR 103 N 1.93 0.00 -3.38 4.37 1.35 -1.91 -3.32 112.91 111.95 3gnq h THR 103 Ca 0.11 -0.62 -0.50 0.00 -0.55 0.00 0.00 66.41 64.85 3gnq h THR 103 Cb 0.77 1.18 0.01 0.00 -1.73 0.00 0.00 68.15 68.37 3gnq h THR 103 CO 0.65 0.00 -0.01 -0.94 -0.25 0.00 0.00 175.52 174.96 3gnq s SER 104 N -4.53 6.40 0.37 5.36 1.04 -1.26 -2.45 113.70 118.63 3gnq s SER 104 Ca 0.04 0.85 0.06 0.00 0.48 0.00 0.00 55.95 57.39 3gnq s SER 104 Cb 0.12 -2.20 0.72 0.00 0.10 0.00 0.00 66.02 64.76 3gnq s SER 104 CO 0.74 -0.36 1.94 0.50 0.98 0.00 0.00 173.24 177.05 3gnq h LYS 105 N 1.08 0.47 0.33 4.02 3.64 -1.88 0.14 116.57 124.37 3gnq h LYS 105 Ca -0.48 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3gnq h LYS 105 Cb 1.20 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 3gnq h LYS 105 CO 0.64 0.45 -0.52 1.49 -2.27 0.00 0.00 179.45 179.24 3gnq h GLU 106 N 0.46 -0.86 -0.36 1.90 4.57 -1.94 -2.40 114.58 115.95 3gnq h GLU 106 Ca 0.11 0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 58.20 3gnq h GLU 106 Cb 0.21 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3gnq h GLU 106 CO -0.00 -0.57 -0.37 0.87 -1.18 0.00 0.00 179.01 177.76 3gnq h LYS 107 N -0.89 0.88 0.00 1.92 1.57 -1.82 -3.12 116.57 115.10 3gnq h LYS 107 Ca -0.04 -0.47 -0.03 0.00 -1.87 0.00 0.00 60.65 58.25 3gnq h LYS 107 Cb 0.82 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 3gnq h LYS 107 CO -0.17 1.11 -0.13 0.00 -0.57 0.00 0.00 179.45 179.69 3gnq h ALA 108 N 0.75 1.33 0.00 3.86 0.00 -0.76 -3.02 119.26 121.41 3gnq h ALA 108 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gnq h ALA 108 Cb 0.96 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3gnq h ALA 108 CO 0.09 0.17 0.00 0.77 0.00 0.00 0.00 179.25 180.28 3gnq h SER 109 N 0.00 0.00 -1.36 0.00 0.02 -1.36 -2.35 113.55 108.51 3gnq h SER 109 Ca -0.00 0.00 0.41 0.00 -0.84 0.00 0.00 61.79 61.35 3gnq h SER 109 Cb 0.34 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.79 3gnq h SER 109 CO 0.02 0.00 0.93 0.00 -1.14 0.00 0.00 176.83 176.63 3gnq h ALA 110 N 2.00 2.95 0.00 3.77 0.00 -1.70 0.58 119.26 126.87 3gnq h ALA 110 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3gnq h ALA 110 Cb 0.30 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3gnq h ALA 110 CO 0.00 -1.45 -0.37 0.45 0.00 0.00 0.00 179.25 177.88 3gnq h HIS 111 N 0.11 0.00 0.03 0.00 3.86 -1.63 0.26 115.15 117.78 3gnq h HIS 111 Ca 0.73 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.67 3gnq h HIS 111 Cb 2.52 0.00 0.02 0.00 1.06 0.00 0.00 27.41 31.01 3gnq h HIS 111 CO -0.00 0.37 -1.09 -0.07 0.86 0.00 0.00 177.93 177.99 3gnq h LEU 112 N 0.00 0.88 -1.09 2.43 4.07 -0.06 0.81 115.31 122.35 3gnq h LEU 112 Ca -0.00 -0.73 -0.05 0.00 0.08 0.00 0.00 57.88 57.17 3gnq h LEU 112 Cb 0.79 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 3gnq h LEU 112 CO 0.05 1.53 0.07 0.11 -1.08 0.00 0.00 178.44 179.12 3gnq h LYS 113 N 0.35 0.72 0.00 1.13 6.56 -1.08 -2.25 116.57 122.00 3gnq h LYS 113 Ca -0.14 -0.15 -0.06 0.00 -1.06 0.00 0.00 60.65 59.24 3gnq h LYS 113 Cb 1.75 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 33.30 3gnq h LYS 113 CO 0.21 0.68 -0.28 0.78 -2.06 0.00 0.00 179.45 178.78 3gnq h GLY 114 N 0.92 0.00 0.00 3.86 0.00 -0.49 -3.47 103.07 103.89 3gnq h GLY 114 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3gnq h GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3gnq n GLY 115 N -0.64 1.94 3.89 4.60 0.00 -0.81 -3.00 105.19 111.17 3gnq n GLY 115 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3gnq n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnq s ALA 116 N -2.00 3.85 -0.05 4.61 0.00 0.22 -3.14 121.76 125.24 3gnq s ALA 116 Ca 0.00 -0.60 -0.26 0.00 0.00 0.00 0.00 51.96 51.10 3gnq s ALA 116 Cb 0.00 -2.06 -0.21 0.00 0.00 0.00 0.00 23.12 20.85 3gnq s ALA 116 CO 0.00 0.69 1.12 0.87 0.00 0.00 0.00 175.76 178.44 3gnq h LYS 117 N 3.34 -0.03 -4.89 0.00 1.57 -1.60 -3.37 116.57 111.60 3gnq h LYS 117 Ca -0.47 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.96 3gnq h LYS 117 Cb 1.18 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.35 3gnq h LYS 117 CO 0.71 0.56 -0.62 0.15 -0.57 0.00 0.00 179.45 179.68 3gnq s LYS 118 N -3.74 1.38 -0.05 3.15 1.02 -0.04 -4.87 119.74 116.60 3gnq s LYS 118 Ca -0.16 -1.74 -0.02 0.00 0.02 0.00 0.00 55.97 54.07 3gnq s LYS 118 Cb 0.01 -0.29 0.03 0.00 -0.52 0.00 0.00 37.83 37.06 3gnq s LYS 118 CO 0.66 -0.27 0.11 0.08 -0.92 0.00 0.00 175.35 175.01 3gnq s VAL 119 N -3.73 -0.04 -0.23 3.17 1.01 0.03 -1.45 120.40 119.17 3gnq s VAL 119 Ca 0.36 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 3gnq s VAL 119 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.27 3gnq s VAL 119 CO 0.12 0.06 -0.02 -0.63 0.00 0.00 0.00 175.10 174.63 3gnq s ILE 120 N 0.83 3.52 -0.24 2.22 1.01 -0.02 -2.64 121.20 125.87 3gnq s ILE 120 Ca -0.06 -0.50 -0.24 0.00 0.00 0.00 0.00 60.65 59.85 3gnq s ILE 120 Cb -0.09 -2.64 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 3gnq s ILE 120 CO -0.04 0.37 0.78 -0.63 0.00 0.00 0.00 174.94 175.42 3gnq s ILE 121 N 1.49 4.87 0.00 2.92 1.01 -0.94 -0.24 121.20 130.31 3gnq s ILE 121 Ca 0.05 1.47 -0.00 0.00 0.00 0.00 0.00 60.65 62.16 3gnq s ILE 121 Cb -0.15 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 3gnq s ILE 121 CO -0.02 -0.05 1.38 -1.54 0.00 0.00 0.00 174.94 174.71 3gnq n SER 122 N 5.92 3.30 -3.62 3.58 3.41 -0.10 -2.36 113.62 123.76 3gnq n SER 122 Ca 0.04 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 3gnq n SER 122 Cb 0.48 -0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 63.70 3gnq n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gnq s ALA 123 N 0.88 -2.19 0.28 7.33 0.00 -1.18 -4.93 121.76 121.95 3gnq s ALA 123 Ca 0.05 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 3gnq s ALA 123 Cb 0.02 0.27 -0.13 0.00 0.00 0.00 0.00 23.12 23.29 3gnq s ALA 123 CO 0.00 -0.96 1.35 -2.30 0.00 0.00 0.00 175.76 173.85 3gnq n PRO 124 N -0.41 2.07 -2.51 0.00 -0.02 -1.18 -3.98 135.00 128.96 3gnq n PRO 124 Ca -0.07 0.73 -0.24 0.00 -2.02 0.00 0.00 63.50 61.91 3gnq n PRO 124 Cb 0.62 -2.35 0.09 0.00 -0.02 0.00 0.00 33.50 31.84 3gnq n PRO 124 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3gnq s GLY 125 N 0.02 1.77 0.75 -1.23 0.00 -1.26 -4.87 107.32 102.50 3gnq s GLY 125 Ca 0.62 -1.50 -0.11 0.00 0.00 0.00 0.00 44.72 43.74 3gnq s GLY 125 CO 0.55 -1.01 1.08 -0.32 0.00 0.00 0.00 173.10 173.40 3gnq s GLY 126 N -4.64 1.66 0.46 0.20 0.00 -1.03 -4.93 107.32 99.05 3gnq s GLY 126 Ca 0.64 0.05 0.19 0.00 0.00 0.00 0.00 44.72 45.60 3gnq s GLY 126 CO 0.43 0.41 1.94 0.50 0.00 0.00 0.00 173.10 176.38 3gnq h LYS 127 N -0.96 0.26 0.00 2.90 6.56 -1.98 -1.39 116.57 121.97 3gnq h LYS 127 Ca -0.45 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 3gnq h LYS 127 Cb 1.23 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 3gnq h LYS 127 CO 0.56 0.17 0.00 -0.40 -2.06 0.00 0.00 179.45 177.72 3gnq n ASP 128 N -4.44 0.00 -4.68 0.86 5.75 -1.26 -4.90 116.55 107.88 3gnq n ASP 128 Ca 0.14 0.32 -0.38 0.00 -0.01 0.00 0.00 54.79 54.85 3gnq n ASP 128 Cb 0.59 -0.41 0.05 0.00 -1.03 0.00 0.00 41.12 40.31 3gnq n ASP 128 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3gnq n VAL 129 N -1.41 3.84 -0.32 2.12 0.24 -0.52 -4.85 118.33 117.43 3gnq n VAL 129 Ca 0.06 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.34 61.83 3gnq n VAL 129 Cb 0.17 -1.40 0.12 0.00 -1.47 0.00 0.00 33.84 31.26 3gnq n VAL 129 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3gnq h ASP 130 N 0.95 1.08 -4.88 -1.34 5.19 -1.39 -3.46 116.42 112.57 3gnq h ASP 130 Ca -0.49 -0.07 0.09 0.00 -0.62 0.00 0.00 57.03 55.94 3gnq h ASP 130 Cb 1.34 -0.27 -0.12 0.00 0.18 0.00 0.00 39.33 40.45 3gnq h ASP 130 CO 0.54 0.84 0.41 0.00 -3.12 0.00 0.00 179.24 177.91 3gnq s ALA 131 N -5.89 -1.70 -0.17 3.45 0.00 -1.26 -4.99 121.76 111.20 3gnq s ALA 131 Ca -0.12 0.64 -0.00 0.00 0.00 0.00 0.00 51.96 52.48 3gnq s ALA 131 Cb 0.17 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.93 3gnq s ALA 131 CO 0.82 -0.80 -0.07 0.99 0.00 0.00 0.00 175.76 176.70 3gnq s THR 132 N -3.35 1.28 -0.08 0.00 2.01 -1.26 0.25 115.64 114.50 3gnq s THR 132 Ca 0.06 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.37 3gnq s THR 132 Cb -0.01 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 3gnq s THR 132 CO -0.07 0.18 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.29 3gnq s ILE 133 N 1.56 3.19 -0.42 1.82 -1.09 0.44 -4.80 121.20 121.91 3gnq s ILE 133 Ca 0.01 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 3gnq s ILE 133 Cb -0.15 -2.29 0.11 0.00 -1.58 0.00 0.00 42.46 38.55 3gnq s ILE 133 CO -0.08 0.57 0.17 -0.69 -1.23 0.00 0.00 174.94 173.68 3gnq s VAL 134 N -0.44 2.85 0.34 2.92 1.01 -1.26 -3.66 120.40 122.16 3gnq s VAL 134 Ca 0.06 -2.41 -0.27 0.00 0.00 0.00 0.00 61.98 59.36 3gnq s VAL 134 Cb -0.12 -3.00 -0.13 0.00 0.00 0.00 0.00 36.38 33.14 3gnq s VAL 134 CO 0.02 -0.69 1.02 0.00 0.00 0.00 0.00 175.10 175.45 3gnq n TYR 135 N 4.17 1.27 -0.67 5.22 9.36 -1.26 -1.82 117.16 133.43 3gnq n TYR 135 Ca 0.02 0.64 0.00 0.00 3.32 0.00 0.00 57.90 61.88 3gnq n TYR 135 Cb 0.40 -2.25 0.00 0.00 -0.63 0.00 0.00 39.34 36.86 3gnq n TYR 135 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gnq n GLY 136 N 1.18 0.75 1.75 2.98 0.00 -1.26 -4.83 105.19 105.76 3gnq n GLY 136 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3gnq n GLY 136 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gnq n VAL 137 N -2.34 0.18 -1.87 1.61 0.31 -0.76 -4.94 118.33 110.52 3gnq n VAL 137 Ca 0.00 0.06 0.04 0.00 -0.01 0.00 0.00 64.34 64.43 3gnq n VAL 137 Cb 0.00 -0.77 0.07 0.00 -0.91 0.00 0.00 33.84 32.23 3gnq n VAL 137 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3gnq n ASN 138 N -3.11 1.06 0.18 4.52 6.94 -1.16 -4.84 115.26 118.85 3gnq n ASN 138 Ca 0.00 -2.55 0.14 0.00 -0.02 0.00 0.00 54.58 52.14 3gnq n ASN 138 Cb 0.06 -0.33 0.55 0.00 -2.36 0.00 0.00 39.78 37.69 3gnq n ASN 138 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3gnq h HIS 139 N 0.45 0.00 -0.82 -2.53 2.07 -1.93 -2.31 115.15 110.08 3gnq h HIS 139 Ca -0.06 0.00 0.16 0.00 -2.85 0.00 0.00 60.37 57.62 3gnq h HIS 139 Cb 1.39 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 31.26 3gnq h HIS 139 CO 0.21 0.00 0.35 -0.44 -3.07 0.00 0.00 177.93 174.99 3gnq h ASP 140 N 0.00 0.35 0.00 3.10 5.19 -1.97 -3.00 116.42 120.09 3gnq h ASP 140 Ca 0.00 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3gnq h ASP 140 Cb 0.43 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.02 3gnq h ASP 140 CO 0.00 0.10 0.21 -0.37 -3.12 0.00 0.00 179.24 176.06 3gnq h VAL 141 N 0.47 0.00 -2.87 -1.35 -1.51 -1.82 -3.43 116.25 105.75 3gnq h VAL 141 Ca 0.46 0.00 -0.53 0.00 -1.23 0.00 0.00 66.70 65.41 3gnq h VAL 141 Cb 0.75 0.51 0.04 0.00 -2.13 0.00 0.00 31.29 30.45 3gnq h VAL 141 CO -0.43 0.00 0.84 -0.76 -1.23 0.00 0.00 177.57 175.99 3gnq s LEU 142 N -4.85 4.37 0.19 4.19 1.43 -1.14 -5.03 118.68 117.85 3gnq s LEU 142 Ca -0.03 2.52 0.11 0.00 -1.03 0.00 0.00 54.13 55.70 3gnq s LEU 142 Cb 0.07 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 3gnq s LEU 142 CO 0.21 -0.78 -0.22 -1.59 0.23 0.00 0.00 176.35 174.20 3gnq s LYS 143 N 1.25 1.45 0.66 1.70 0.00 -1.26 -4.82 119.74 118.71 3gnq s LYS 143 Ca 0.69 -1.49 0.36 0.00 0.00 0.00 0.00 55.97 55.53 3gnq s LYS 143 Cb -0.41 -1.68 1.99 0.00 0.00 0.00 0.00 37.83 37.73 3gnq s LYS 143 CO 0.31 0.36 2.14 0.00 0.00 0.00 0.00 175.35 178.16 3gnq h ALA 144 N 3.20 1.24 0.00 0.59 0.00 -1.89 0.25 119.26 122.64 3gnq h ALA 144 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gnq h ALA 144 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gnq h ALA 144 CO 0.49 -0.19 -0.06 0.39 0.00 0.00 0.00 179.25 179.89 3gnq n GLU 145 N -3.06 0.04 -2.32 0.00 4.71 -1.26 -4.72 120.64 114.03 3gnq n GLU 145 Ca -0.02 0.03 -0.43 0.00 -0.01 0.00 0.00 57.16 56.74 3gnq n GLU 145 Cb 0.24 -1.55 -0.02 0.00 -1.01 0.00 0.00 31.44 29.10 3gnq n GLU 145 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 3gnq s HIS 146 N -3.02 2.75 -0.04 -0.32 3.76 0.07 -4.89 115.29 113.61 3gnq s HIS 146 Ca 0.13 0.87 0.05 0.00 -0.15 0.00 0.00 55.06 55.96 3gnq s HIS 146 Cb 0.18 -3.59 -0.08 0.00 1.11 0.00 0.00 32.58 30.20 3gnq s HIS 146 CO 0.56 -2.14 0.06 0.25 -0.85 0.00 0.00 174.74 172.62 3gnq n THR 147 N 5.15 0.23 -3.51 1.30 -2.24 -1.26 -4.91 114.28 109.04 3gnq n THR 147 Ca 0.14 -0.20 -0.28 0.00 -2.27 0.00 0.00 64.05 61.44 3gnq n THR 147 Cb 0.44 -0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.19 3gnq n THR 147 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gnq s VAL 148 N -2.25 0.56 0.47 2.28 1.01 -1.26 -0.79 120.40 120.43 3gnq s VAL 148 Ca -0.03 -2.26 0.04 0.00 0.00 0.00 0.00 61.98 59.74 3gnq s VAL 148 Cb 0.03 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3gnq s VAL 148 CO 0.24 -1.05 0.66 0.27 0.00 0.00 0.00 175.10 175.22 3gnq s ILE 149 N 0.52 3.02 0.05 2.22 -4.36 -1.08 -0.95 121.20 120.62 3gnq s ILE 149 Ca 0.23 -0.81 0.07 0.00 -0.26 0.00 0.00 60.65 59.87 3gnq s ILE 149 Cb -0.14 -3.07 -0.03 0.00 1.25 0.00 0.00 42.46 40.46 3gnq s ILE 149 CO -0.06 -0.04 -0.15 -0.55 0.24 0.00 0.00 174.94 174.38 3gnq s SER 150 N -4.36 4.01 -0.15 4.36 0.15 0.14 -2.22 113.70 115.62 3gnq s SER 150 Ca 0.55 -0.40 0.17 0.00 0.70 0.00 0.00 55.95 56.97 3gnq s SER 150 Cb -0.10 -0.70 0.76 0.00 -1.71 0.00 0.00 66.02 64.27 3gnq s SER 150 CO 0.36 0.24 1.68 -3.20 1.20 0.00 0.00 173.24 173.51 3gnq n ASN 151 N 1.33 5.10 0.00 5.45 5.15 -0.99 -0.42 115.26 130.88 3gnq n ASN 151 Ca -0.16 -2.59 0.00 0.00 -0.60 0.00 0.00 54.58 51.24 3gnq n ASN 151 Cb 0.52 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.16 3gnq n ASN 151 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gnq n ALA 152 N 1.02 0.00 -2.55 5.20 0.00 -1.24 -4.71 120.51 118.23 3gnq n ALA 152 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.47 3gnq n ALA 152 Cb 0.99 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.37 3gnq n ALA 152 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gnq s SER 153 N -4.00 4.58 0.25 0.00 1.04 -1.26 -3.11 113.70 111.20 3gnq s SER 153 Ca 0.00 -0.78 -0.03 0.00 0.48 0.00 0.00 55.95 55.63 3gnq s SER 153 Cb 0.00 -0.73 0.46 0.00 0.10 0.00 0.00 66.02 65.85 3gnq s SER 153 CO 0.00 -0.22 1.78 0.00 0.98 0.00 0.00 173.24 175.78 3gnq h THR 155 N 0.69 0.79 -0.59 0.00 2.02 -1.95 -1.55 112.91 112.31 3gnq h THR 155 Ca 0.43 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.55 3gnq h THR 155 Cb 0.51 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 3gnq h THR 155 CO -0.31 0.02 0.34 0.74 0.37 0.00 0.00 175.52 176.69 3gnq h THR 156 N -0.36 1.03 0.00 3.16 2.02 -1.74 0.38 112.91 117.41 3gnq h THR 156 Ca -0.03 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3gnq h THR 156 Cb 0.27 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3gnq h THR 156 CO 0.05 0.12 -0.06 0.78 0.37 0.00 0.00 175.52 176.78 3gnq h ASN 157 N 0.67 0.00 0.20 4.18 4.21 -1.05 -0.95 115.58 122.84 3gnq h ASN 157 Ca 0.24 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.45 3gnq h ASN 157 Cb 0.07 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.30 3gnq h ASN 157 CO -0.12 0.06 -1.33 0.00 -1.29 0.00 0.00 177.43 174.75 3gnq h LEU 159 N 0.12 0.35 -0.31 0.00 5.85 0.14 -3.30 115.31 118.16 3gnq h LEU 159 Ca -0.22 -0.60 0.07 0.00 0.84 0.00 0.00 57.88 57.96 3gnq h LEU 159 Cb 2.03 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.87 3gnq h LEU 159 CO 0.25 0.89 -0.25 0.00 -0.34 0.00 0.00 178.44 178.99 3gnq h ALA 160 N 0.47 -0.09 0.00 1.25 0.00 -1.39 0.13 119.26 119.63 3gnq h ALA 160 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gnq h ALA 160 Cb 0.86 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3gnq h ALA 160 CO 0.05 -0.66 0.00 -1.35 0.00 0.00 0.00 179.25 177.30 3gnq h PRO 161 N -0.22 0.00 0.08 0.00 0.11 -1.76 -1.49 132.00 128.71 3gnq h PRO 161 Ca 0.16 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.14 3gnq h PRO 161 Cb 0.47 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.60 3gnq h PRO 161 CO -0.44 0.00 -0.55 1.25 -0.21 0.00 0.00 178.00 178.04 3gnq h LEU 162 N 0.00 0.35 0.12 2.35 6.46 -1.09 -3.39 115.31 120.11 3gnq h LEU 162 Ca 0.00 -0.91 -0.27 0.00 -0.12 0.00 0.00 57.88 56.57 3gnq h LEU 162 Cb 0.32 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3gnq h LEU 162 CO 0.00 1.24 -1.24 1.62 -0.62 0.00 0.00 178.44 179.44 3gnq h VAL 163 N -0.47 1.49 -0.14 1.05 3.04 -1.06 -3.35 116.25 116.79 3gnq h VAL 163 Ca -0.09 -3.02 0.04 0.00 -1.01 0.00 0.00 66.70 62.62 3gnq h VAL 163 Cb 1.39 2.93 -0.04 0.00 -2.01 0.00 0.00 31.29 33.56 3gnq h VAL 163 CO 0.11 0.88 -0.11 0.50 -1.01 0.00 0.00 177.57 177.94 3gnq h LYS 164 N 0.09 -0.12 -0.08 4.17 3.64 -1.46 0.17 116.57 122.97 3gnq h LYS 164 Ca -0.14 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 3gnq h LYS 164 Cb 1.96 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.80 3gnq h LYS 164 CO 0.21 -0.08 -0.35 -1.35 -2.27 0.00 0.00 179.45 175.61 3gnq h PRO 165 N -0.12 0.16 0.00 1.90 0.11 -1.77 -0.62 132.00 131.66 3gnq h PRO 165 Ca 0.09 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 65.94 3gnq h PRO 165 Cb 0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3gnq h PRO 165 CO -0.22 0.50 -0.86 -0.07 -0.21 0.00 0.00 178.00 177.13 3gnq h LEU 166 N 0.14 0.25 -0.52 2.35 3.38 -1.56 -2.05 115.31 117.31 3gnq h LEU 166 Ca 0.02 -0.20 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 3gnq h LEU 166 Cb 0.69 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3gnq h LEU 166 CO 0.05 1.00 -0.60 -1.13 0.09 0.00 0.00 178.44 177.85 3gnq h ASN 167 N 0.11 0.54 -0.09 -0.43 -1.24 -0.48 -1.25 115.58 112.74 3gnq h ASN 167 Ca -0.04 -0.30 -0.02 0.00 0.71 0.00 0.00 56.30 56.64 3gnq h ASN 167 Cb 1.49 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 40.38 3gnq h ASN 167 CO 0.13 1.01 -0.03 0.44 -1.29 0.00 0.00 177.43 177.69 3gnq h ASP 168 N 0.36 0.19 -0.55 1.15 5.19 -1.11 -2.69 116.42 118.95 3gnq h ASP 168 Ca -0.00 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3gnq h ASP 168 Cb 1.14 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.60 3gnq h ASP 168 CO 0.11 0.53 0.00 0.29 -3.12 0.00 0.00 179.24 177.04 3gnq n LYS 169 N -4.77 2.76 0.00 3.56 4.01 -0.77 -4.65 118.16 118.30 3gnq n LYS 169 Ca -0.07 -2.38 0.00 0.00 -0.51 0.00 0.00 58.31 55.35 3gnq n LYS 169 Cb 0.24 -1.44 0.00 0.00 -0.51 0.00 0.00 35.03 33.33 3gnq n LYS 169 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3gnq n ILE 170 N 1.15 0.00 0.00 -0.18 5.41 -0.79 -5.03 119.36 119.93 3gnq n ILE 170 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.94 3gnq n ILE 170 Cb 0.54 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.23 3gnq n ILE 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gnq n GLY 171 N 0.56 1.23 3.06 7.39 0.00 -0.54 -4.08 105.19 112.82 3gnq n GLY 171 Ca 0.00 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 3gnq n GLY 171 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gnq s LEU 172 N -0.27 1.74 -0.08 0.99 0.20 -1.26 -1.59 118.68 118.41 3gnq s LEU 172 Ca 0.00 -0.44 -0.04 0.00 0.69 0.00 0.00 54.13 54.34 3gnq s LEU 172 Cb 0.00 -1.12 -0.02 0.00 -0.43 0.00 0.00 46.19 44.62 3gnq s LEU 172 CO 0.00 0.01 0.16 -0.08 -0.29 0.00 0.00 176.35 176.16 3gnq h GLU 173 N 7.46 -0.14 -3.27 1.98 4.81 -1.26 -3.47 114.58 120.69 3gnq h GLU 173 Ca -0.32 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 58.80 3gnq h GLU 173 Cb 1.17 0.03 -0.20 0.00 0.63 0.00 0.00 28.75 30.39 3gnq h GLU 173 CO 0.50 -0.09 -0.35 0.95 -0.73 0.00 0.00 179.01 179.29 3gnq s THR 174 N -2.01 0.07 0.00 0.32 -4.23 -1.26 -4.86 115.64 103.68 3gnq s THR 174 Ca -0.02 -0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 59.86 3gnq s THR 174 Cb 0.00 -0.63 -0.01 0.00 1.34 0.00 0.00 72.50 73.20 3gnq s THR 174 CO 0.06 -0.34 0.00 -0.83 -0.54 0.00 0.00 174.62 172.98 3gnq s GLY 175 N -1.52 0.08 -0.07 3.99 0.00 0.17 -1.49 107.32 108.48 3gnq s GLY 175 Ca -0.12 -0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.42 3gnq s GLY 175 CO 0.02 -0.23 -0.12 1.08 0.00 0.00 0.00 173.10 173.85 3gnq s LEU 176 N -0.59 1.61 -0.13 0.66 1.43 0.11 -1.88 118.68 119.90 3gnq s LEU 176 Ca -0.06 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 3gnq s LEU 176 Cb -0.04 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 3gnq s LEU 176 CO -0.00 0.02 -0.02 -0.32 0.23 0.00 0.00 176.35 176.26 3gnq s MET 177 N 0.73 3.39 -0.20 1.70 -2.45 -0.08 -1.18 119.30 121.21 3gnq s MET 177 Ca -0.13 -0.48 -0.03 0.00 -1.25 0.00 0.00 55.69 53.80 3gnq s MET 177 Cb -0.16 -2.86 -0.01 0.00 1.25 0.00 0.00 34.83 33.05 3gnq s MET 177 CO 0.03 0.43 -0.07 0.99 1.05 0.00 0.00 175.02 177.45 3gnq s THR 178 N -0.13 3.23 -0.20 10.11 2.01 -0.24 -1.79 115.64 128.63 3gnq s THR 178 Ca 0.03 -0.55 -0.09 0.00 0.31 0.00 0.00 61.69 61.39 3gnq s THR 178 Cb -0.13 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 3gnq s THR 178 CO 0.02 0.45 0.11 0.28 -0.69 0.00 0.00 174.62 174.79 3gnq s THR 179 N 1.29 5.14 -0.40 -0.82 -1.32 -0.80 -1.35 115.64 117.37 3gnq s THR 179 Ca 0.03 0.09 -0.15 0.00 -1.21 0.00 0.00 61.69 60.46 3gnq s THR 179 Cb -0.14 -3.35 0.02 0.00 -1.51 0.00 0.00 72.50 67.52 3gnq s THR 179 CO -0.03 0.43 0.30 -0.63 -2.21 0.00 0.00 174.62 172.48 3gnq s ILE 180 N 0.53 5.25 -0.05 5.08 1.01 -0.59 -0.22 121.20 132.22 3gnq s ILE 180 Ca 0.06 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.18 3gnq s ILE 180 Cb -0.12 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 3gnq s ILE 180 CO 0.00 -0.28 -0.21 -2.28 0.00 0.00 0.00 174.94 172.17 3gnq s HIS 181 N 1.71 2.52 0.76 3.97 2.46 0.57 -1.51 115.29 125.77 3gnq s HIS 181 Ca 0.06 -0.52 -0.15 0.00 0.47 0.00 0.00 55.06 54.92 3gnq s HIS 181 Cb -0.19 -1.61 0.05 0.00 -0.13 0.00 0.00 32.58 30.70 3gnq s HIS 181 CO 0.10 -0.08 1.19 0.00 -2.47 0.00 0.00 174.74 173.48 3gnq n ALA 182 N 2.74 0.21 -1.59 1.58 0.00 -1.24 -1.35 120.51 120.87 3gnq n ALA 182 Ca -0.17 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 52.71 3gnq n ALA 182 Cb 0.52 -2.25 0.03 0.00 0.00 0.00 0.00 19.45 17.75 3gnq n ALA 182 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3gnq s TYR 183 N -1.91 2.96 0.34 0.00 -0.85 -0.66 -4.76 117.35 112.47 3gnq s TYR 183 Ca 0.76 1.49 0.03 0.00 -0.52 0.00 0.00 57.07 58.83 3gnq s TYR 183 Cb -0.32 -2.99 -0.05 0.00 0.38 0.00 0.00 41.96 38.98 3gnq s TYR 183 CO 0.48 -1.25 0.09 0.95 -1.52 0.00 0.00 175.55 174.30 3gnq s THR 184 N -2.65 0.88 -1.32 -3.49 -4.23 -1.26 -4.73 115.64 98.84 3gnq s THR 184 Ca 0.62 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.37 3gnq s THR 184 Cb -0.16 -2.62 0.36 0.00 1.34 0.00 0.00 72.50 71.41 3gnq s THR 184 CO 0.44 0.00 1.77 0.59 -0.54 0.00 0.00 174.62 176.88 3gnq n ASN 185 N -0.84 0.00 0.05 3.99 3.02 -1.26 -1.97 115.26 118.25 3gnq n ASN 185 Ca -0.03 0.09 0.11 0.00 -0.03 0.00 0.00 54.58 54.72 3gnq n ASN 185 Cb 0.66 -0.34 0.45 0.00 -0.61 0.00 0.00 39.78 39.94 3gnq n ASN 185 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3gnq n ASP 186 N -1.34 0.32 -3.96 6.41 5.68 -1.26 -4.85 116.55 117.54 3gnq n ASP 186 Ca 0.10 0.55 -0.21 0.00 -0.50 0.00 0.00 54.79 54.73 3gnq n ASP 186 Cb 0.21 -0.63 0.12 0.00 -1.14 0.00 0.00 41.12 39.68 3gnq n ASP 186 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gnq n GLN 187 N -1.82 -0.36 -4.31 0.11 6.02 -0.83 -5.00 117.38 111.18 3gnq n GLN 187 Ca 0.05 -2.10 -0.17 0.00 -0.01 0.00 0.00 57.00 54.77 3gnq n GLN 187 Cb 0.28 -0.76 -0.10 0.00 1.02 0.00 0.00 30.24 30.68 3gnq n GLN 187 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3gnq s VAL 188 N -2.86 1.50 -0.12 5.09 -7.23 -1.25 -5.02 120.40 110.50 3gnq s VAL 188 Ca 0.58 -2.15 -0.24 0.00 -1.81 0.00 0.00 61.98 58.36 3gnq s VAL 188 Cb -0.03 -1.99 -0.26 0.00 0.56 0.00 0.00 36.38 34.66 3gnq s VAL 188 CO 0.39 -0.64 0.69 -0.07 -0.31 0.00 0.00 175.10 175.17 3gnq h LEU 189 N 2.63 0.17 -8.16 1.32 3.38 -1.95 0.97 115.31 113.67 3gnq h LEU 189 Ca -0.38 -0.89 -0.18 0.00 0.09 0.00 0.00 57.88 56.52 3gnq h LEU 189 Cb 1.21 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.72 3gnq h LEU 189 CO 0.63 1.26 -0.70 0.28 0.09 0.00 0.00 178.44 180.00 3gnq s THR 190 N -2.33 0.31 0.12 0.22 -1.32 -1.26 -4.27 115.64 107.11 3gnq s THR 190 Ca -0.19 -1.36 -0.31 0.00 -1.21 0.00 0.00 61.69 58.62 3gnq s THR 190 Cb 0.00 -0.91 -0.10 0.00 -1.51 0.00 0.00 72.50 69.99 3gnq s THR 190 CO 0.72 -0.68 1.74 -1.81 -2.21 0.00 0.00 174.62 172.38 3gnq s ASP 191 N -2.15 6.49 0.20 8.08 1.01 -1.26 -4.71 116.67 124.34 3gnq s ASP 191 Ca -0.04 2.68 -0.14 0.00 0.71 0.00 0.00 52.55 55.76 3gnq s ASP 191 Cb -0.02 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.34 3gnq s ASP 191 CO -0.04 -0.95 0.45 0.54 0.21 0.00 0.00 175.17 175.39 3gnq s VAL 192 N 2.33 0.03 0.19 -1.27 0.11 -0.87 -5.02 120.40 115.90 3gnq s VAL 192 Ca 0.77 -1.13 -0.33 0.00 -2.93 0.00 0.00 61.98 58.36 3gnq s VAL 192 Cb -0.44 -1.84 -0.13 0.00 -1.53 0.00 0.00 36.38 32.43 3gnq s VAL 192 CO 0.34 -0.13 1.55 0.00 -3.33 0.00 0.00 175.10 173.53 3gnq n TYR 193 N -0.32 2.31 -3.83 1.54 9.36 -1.26 -4.54 117.16 120.42 3gnq n TYR 193 Ca -0.07 0.29 -0.11 0.00 3.32 0.00 0.00 57.90 61.33 3gnq n TYR 193 Cb 0.62 -2.54 -0.09 0.00 -0.63 0.00 0.00 39.34 36.71 3gnq n TYR 193 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3gnq s HIS 194 N 0.64 0.00 0.47 2.98 2.46 -1.26 -4.94 115.29 115.65 3gnq s HIS 194 Ca 0.75 -0.15 0.32 0.00 0.47 0.00 0.00 55.06 56.46 3gnq s HIS 194 Cb -0.65 -0.00 1.73 0.00 -0.13 0.00 0.00 32.58 33.53 3gnq s HIS 194 CO 0.41 -0.41 2.17 1.05 -2.47 0.00 0.00 174.74 175.49 3gnq h GLU 195 N 3.62 0.00 -4.96 2.88 4.11 -1.96 -3.39 114.58 114.88 3gnq h GLU 195 Ca -0.31 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.45 3gnq h GLU 195 Cb 1.19 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.13 3gnq h GLU 195 CO 0.45 0.06 -0.75 0.34 0.07 0.00 0.00 179.01 179.18 3gnq s ASP 196 N -5.89 4.12 0.41 3.06 2.15 -1.26 -5.00 116.67 114.25 3gnq s ASP 196 Ca -0.03 -0.66 0.28 0.00 0.43 0.00 0.00 52.55 52.57 3gnq s ASP 196 Cb 0.13 -1.66 1.43 0.00 -0.30 0.00 0.00 42.92 42.51 3gnq s ASP 196 CO 0.53 -0.07 1.86 -0.07 -0.17 0.00 0.00 175.17 177.26 3gnq h LEU 197 N 8.04 0.00 0.13 -1.34 3.38 -1.99 -0.76 115.31 122.77 3gnq h LEU 197 Ca -0.38 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.24 3gnq h LEU 197 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3gnq h LEU 197 CO 0.60 0.00 -1.87 0.03 0.09 0.00 0.00 178.44 177.28 3gnq h ARG 198 N 0.00 0.28 0.00 1.13 3.08 -1.94 -3.33 114.38 113.61 3gnq h ARG 198 Ca 0.00 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3gnq h ARG 198 Cb 0.14 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3gnq h ARG 198 CO 0.00 1.23 0.00 0.54 -1.07 0.00 0.00 179.97 180.67 3gnq n ARG 199 N -3.58 0.01 0.02 0.04 1.74 -0.68 -1.56 116.66 112.64 3gnq n ARG 199 Ca -0.30 0.19 0.09 0.00 -0.77 0.00 0.00 57.85 57.06 3gnq n ARG 199 Cb 1.03 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 31.35 3gnq n ARG 199 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gnq n ALA 200 N -1.50 1.79 -2.88 7.54 0.00 -0.38 -3.96 120.51 121.13 3gnq n ALA 200 Ca 0.04 -0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3gnq n ALA 200 Cb 0.21 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 3gnq n ALA 200 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gnq s ARG 201 N -3.03 3.24 -0.27 0.00 1.81 -0.60 -2.05 118.95 118.05 3gnq s ARG 201 Ca 0.08 -0.59 -0.39 0.00 -1.72 0.00 0.00 55.73 53.10 3gnq s ARG 201 Cb 0.11 -2.90 -0.15 0.00 -0.45 0.00 0.00 34.95 31.56 3gnq s ARG 201 CO 0.33 0.56 1.78 0.45 -0.68 0.00 0.00 175.30 177.75 3gnq n SER 202 N 0.04 2.49 0.25 0.23 2.88 -1.26 -4.54 113.62 113.71 3gnq n SER 202 Ca -0.07 1.04 0.15 0.00 -1.33 0.00 0.00 58.87 58.66 3gnq n SER 202 Cb 0.52 -1.17 0.47 0.00 -0.75 0.00 0.00 64.21 63.29 3gnq n SER 202 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gnq h ALA 203 N 7.66 1.00 0.00 -1.46 0.00 -0.98 -3.23 119.26 122.26 3gnq h ALA 203 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3gnq h ALA 203 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3gnq h ALA 203 CO 0.97 0.00 -0.46 0.25 0.00 0.00 0.00 179.25 180.01 3gnq n THR 204 N -3.09 0.05 0.03 0.00 -2.24 -1.26 -3.91 114.28 103.86 3gnq n THR 204 Ca 0.02 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3gnq n THR 204 Cb 0.40 0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3gnq n THR 204 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gnq n HIS 205 N -1.58 0.00 -4.08 4.78 -0.00 -1.22 -4.78 115.22 108.34 3gnq n HIS 205 Ca 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.69 3gnq n HIS 205 Cb 0.35 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.24 3gnq n HIS 205 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 3gnq s SER 206 N -0.55 0.33 -0.19 0.41 0.01 -1.24 -5.06 113.70 107.41 3gnq s SER 206 Ca 0.01 -1.05 -0.23 0.00 1.31 0.00 0.00 55.95 55.98 3gnq s SER 206 Cb 0.01 0.28 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 3gnq s SER 206 CO 0.02 -0.70 0.72 -1.10 0.41 0.00 0.00 173.24 172.58 3gnq s GLN 207 N -3.98 4.24 -0.30 12.44 -0.21 -1.26 -4.15 119.66 126.45 3gnq s GLN 207 Ca 0.16 0.79 0.03 0.00 0.02 0.00 0.00 55.36 56.36 3gnq s GLN 207 Cb 0.07 -3.58 0.08 0.00 1.00 0.00 0.00 33.01 30.58 3gnq s GLN 207 CO -0.04 -0.28 -0.03 0.42 -2.12 0.00 0.00 175.29 173.24 3gnq s ILE 208 N 2.04 2.26 0.48 1.08 1.01 0.06 -4.93 121.20 123.20 3gnq s ILE 208 Ca 0.33 -1.94 -0.23 0.00 0.00 0.00 0.00 60.65 58.80 3gnq s ILE 208 Cb -0.16 -2.48 -0.07 0.00 0.01 0.00 0.00 42.46 39.76 3gnq s ILE 208 CO 0.11 -0.28 1.28 -2.84 0.00 0.00 0.00 174.94 173.21 3gnq s PRO 209 N 1.02 3.58 -0.05 2.79 0.02 -1.26 -1.13 135.00 139.97 3gnq s PRO 209 Ca -0.00 2.07 -0.23 0.00 0.02 0.00 0.00 61.00 62.86 3gnq s PRO 209 Cb -0.20 -2.45 0.05 0.00 0.02 0.00 0.00 34.50 31.92 3gnq s PRO 209 CO -0.06 -0.79 0.50 -0.08 -0.33 0.00 0.00 177.00 176.24 3gnq s THR 210 N -1.37 0.03 0.61 0.99 -1.32 0.60 -4.82 115.64 110.35 3gnq s THR 210 Ca 0.65 -0.21 -0.13 0.00 -1.21 0.00 0.00 61.69 60.78 3gnq s THR 210 Cb -0.36 -0.80 -0.04 0.00 -1.51 0.00 0.00 72.50 69.79 3gnq s THR 210 CO 0.44 -0.12 1.03 -0.54 -2.21 0.00 0.00 174.62 173.23 3gnq s LYS 211 N -1.13 3.43 -0.29 7.08 1.02 -1.26 -0.56 119.74 128.03 3gnq s LYS 211 Ca -0.11 0.96 -0.17 0.00 0.02 0.00 0.00 55.97 56.67 3gnq s LYS 211 Cb -0.03 -2.06 0.12 0.00 -0.52 0.00 0.00 37.83 35.35 3gnq s LYS 211 CO 0.07 -0.70 0.89 -0.08 -0.92 0.00 0.00 175.35 174.60 3gnq s THR 212 N -2.84 0.00 -2.05 2.17 -1.32 -1.26 -4.77 115.64 105.57 3gnq s THR 212 Ca 0.59 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 61.26 3gnq s THR 212 Cb -0.13 -1.00 0.51 0.00 -1.51 0.00 0.00 72.50 70.38 3gnq s THR 212 CO 0.45 0.00 1.68 0.61 -2.21 0.00 0.00 174.62 175.15 3gnq n GLY 213 N 3.69 -0.77 0.19 6.08 0.00 -1.26 -4.50 105.19 108.63 3gnq n GLY 213 Ca -0.18 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 3gnq n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnq h ALA 214 N 3.66 0.05 0.24 4.61 0.00 -1.96 0.17 119.26 126.03 3gnq h ALA 214 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gnq h ALA 214 Cb 0.09 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gnq h ALA 214 CO 0.00 -0.55 -0.17 0.00 0.00 0.00 0.00 179.25 178.53 3gnq h ALA 215 N 1.06 -0.39 -0.36 0.00 0.00 -1.88 -2.52 119.26 115.16 3gnq h ALA 215 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gnq h ALA 215 Cb 0.31 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3gnq h ALA 215 CO -0.31 -0.73 0.16 0.00 0.00 0.00 0.00 179.25 178.37 3gnq h ALA 216 N 0.33 0.47 -0.90 0.00 0.00 -1.49 -2.84 119.26 114.83 3gnq h ALA 216 Ca -0.02 -0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.00 3gnq h ALA 216 Cb 0.35 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3gnq h ALA 216 CO 0.00 0.05 0.61 0.00 0.00 0.00 0.00 179.25 179.92 3gnq h ALA 217 N 1.01 2.43 -0.98 0.00 0.00 -0.53 0.33 119.26 121.51 3gnq h ALA 217 Ca 0.12 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3gnq h ALA 217 Cb 0.15 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 3gnq h ALA 217 CO -0.01 -0.71 0.62 0.28 0.00 0.00 0.00 179.25 179.43 3gnq h VAL 218 N 0.26 1.01 -0.88 0.00 2.07 -1.19 -1.39 116.25 116.14 3gnq h VAL 218 Ca 0.46 -0.37 0.36 0.00 0.82 0.00 0.00 66.70 67.97 3gnq h VAL 218 Cb 1.37 -0.16 -0.15 0.00 -1.52 0.00 0.00 31.29 30.84 3gnq h VAL 218 CO -0.13 0.20 0.48 0.61 0.02 0.00 0.00 177.57 178.75 3gnq n GLY 219 N -1.35 -0.64 1.00 2.17 0.00 0.12 -0.22 105.19 106.26 3gnq n GLY 219 Ca 0.16 0.68 0.03 0.00 0.00 0.00 0.00 46.02 46.90 3gnq n GLY 219 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3gnq n LEU 220 N -4.88 4.00 -0.04 0.99 -0.00 -0.53 -2.61 117.00 113.93 3gnq n LEU 220 Ca 0.32 -3.32 -0.04 0.00 -0.00 0.00 0.00 56.01 52.98 3gnq n LEU 220 Cb 1.11 -0.58 -0.07 0.00 -0.00 0.00 0.00 43.42 43.89 3gnq n LEU 220 CO 0.02 0.90 -0.78 1.33 -0.00 0.00 0.00 177.39 178.86 3gnq n VAL 221 N -0.79 0.58 -3.86 1.47 0.24 0.69 -4.79 118.33 111.87 3gnq n VAL 221 Ca 0.27 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.34 61.91 3gnq n VAL 221 Cb 0.96 -0.78 -0.12 0.00 -1.47 0.00 0.00 33.84 32.43 3gnq n VAL 221 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gnq s LEU 222 N -4.70 4.80 0.38 1.34 1.43 0.35 -4.75 118.68 117.55 3gnq s LEU 222 Ca -0.05 -3.40 0.17 0.00 -1.03 0.00 0.00 54.13 49.82 3gnq s LEU 222 Cb 0.03 -1.71 1.07 0.00 0.03 0.00 0.00 46.19 45.61 3gnq s LEU 222 CO 0.34 -0.19 1.76 -0.65 0.23 0.00 0.00 176.35 177.84 3gnq h PRO 223 N 6.09 0.42 0.00 1.29 0.11 -1.74 0.36 132.00 138.53 3gnq h PRO 223 Ca 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3gnq h PRO 223 Cb 0.84 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3gnq h PRO 223 CO 0.73 0.27 0.23 1.05 -0.21 0.00 0.00 178.00 180.07 3gnq h GLU 224 N 0.43 0.00 -0.15 1.05 9.09 -1.95 0.13 114.58 123.17 3gnq h GLU 224 Ca 0.60 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.01 3gnq h GLU 224 Cb 1.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.56 3gnq h GLU 224 CO -0.32 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.02 3gnq n LEU 225 N -2.30 2.99 -4.68 3.06 4.77 0.13 -4.99 117.00 115.97 3gnq n LEU 225 Ca -0.01 -1.20 -0.53 0.00 -0.03 0.00 0.00 56.01 54.24 3gnq n LEU 225 Cb 0.26 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3gnq n LEU 225 CO 0.09 0.57 1.31 -3.20 -1.33 0.00 0.00 177.39 174.83 3gnq n ASN 226 N 1.26 2.67 0.00 -1.43 5.15 0.43 -1.06 115.26 122.29 3gnq n ASN 226 Ca 0.14 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.17 3gnq n ASN 226 Cb 0.55 -1.24 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 3gnq n ASN 226 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gnq n GLY 227 N 3.99 0.67 0.35 8.20 0.00 -1.26 -4.91 105.19 112.23 3gnq n GLY 227 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.34 3gnq n GLY 227 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gnq n LYS 228 N -2.62 1.60 -4.52 1.61 5.02 -0.22 -4.95 118.16 114.07 3gnq n LYS 228 Ca 0.00 -0.76 -0.22 0.00 -2.02 0.00 0.00 58.31 55.31 3gnq n LYS 228 Cb 0.00 -1.31 -0.16 0.00 -0.02 0.00 0.00 35.03 33.55 3gnq n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gnq s LEU 229 N -2.18 1.85 0.36 -0.35 1.43 -1.26 -0.66 118.68 117.88 3gnq s LEU 229 Ca 0.13 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3gnq s LEU 229 Cb 0.14 -0.66 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 3gnq s LEU 229 CO 0.46 0.10 0.19 -0.62 0.23 0.00 0.00 176.35 176.71 3gnq s ASP 230 N 0.10 2.18 0.00 2.29 -1.08 -0.79 -3.33 116.67 116.04 3gnq s ASP 230 Ca -0.02 -1.70 0.00 0.00 -0.52 0.00 0.00 52.55 50.31 3gnq s ASP 230 Cb -0.09 0.52 0.00 0.00 -1.46 0.00 0.00 42.92 41.90 3gnq s ASP 230 CO 0.01 -0.98 0.00 0.61 0.52 0.00 0.00 175.17 175.32 3gnq n GLY 231 N -0.75 -0.69 2.94 2.66 0.00 -1.26 -0.91 105.19 107.18 3gnq n GLY 231 Ca 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 3gnq n GLY 231 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gnq n TYR 232 N -0.76 -1.63 -4.41 1.61 0.18 -0.74 -4.63 117.16 106.79 3gnq n TYR 232 Ca 0.00 -1.80 -0.26 0.00 1.88 0.00 0.00 57.90 57.72 3gnq n TYR 232 Cb 0.00 0.59 -0.12 0.00 -0.38 0.00 0.00 39.34 39.43 3gnq n TYR 232 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3gnq s ALA 233 N -2.31 2.44 -0.17 -3.48 0.00 0.27 -1.90 121.76 116.62 3gnq s ALA 233 Ca 0.20 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.54 3gnq s ALA 233 Cb -0.02 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.84 3gnq s ALA 233 CO 0.14 0.38 -0.11 0.42 0.00 0.00 0.00 175.76 176.60 3gnq s ILE 234 N -1.78 1.53 0.03 0.00 1.01 0.70 -0.30 121.20 122.39 3gnq s ILE 234 Ca 0.20 -0.79 -0.26 0.00 0.00 0.00 0.00 60.65 59.81 3gnq s ILE 234 Cb -0.07 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 3gnq s ILE 234 CO 0.09 0.29 0.80 -0.13 0.00 0.00 0.00 174.94 176.00 3gnq s ARG 235 N 1.47 4.52 0.35 2.79 1.81 -0.28 -0.31 118.95 129.30 3gnq s ARG 235 Ca 0.02 1.13 0.06 0.00 -1.72 0.00 0.00 55.73 55.21 3gnq s ARG 235 Cb -0.15 -3.39 -0.07 0.00 -0.45 0.00 0.00 34.95 30.90 3gnq s ARG 235 CO -0.09 0.21 0.01 0.14 -0.68 0.00 0.00 175.30 174.89 3gnq s VAL 236 N 0.19 1.64 -1.36 3.52 -7.23 -0.46 -0.76 120.40 115.94 3gnq s VAL 236 Ca 0.41 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 58.39 3gnq s VAL 236 Cb -0.20 -2.82 0.03 0.00 0.56 0.00 0.00 36.38 33.95 3gnq s VAL 236 CO 0.24 -0.05 2.06 -2.65 -0.31 0.00 0.00 175.10 174.38 3gnq n PRO 237 N -0.79 2.84 -4.09 4.82 -0.02 -1.25 -3.36 135.00 133.14 3gnq n PRO 237 Ca -0.04 -2.75 -0.13 0.00 -2.02 0.00 0.00 63.50 58.56 3gnq n PRO 237 Cb 0.66 -3.34 -0.11 0.00 -0.02 0.00 0.00 33.50 30.69 3gnq n PRO 237 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3gnq s THR 238 N 3.84 0.58 0.19 3.45 -4.23 -1.26 -5.02 115.64 113.19 3gnq s THR 238 Ca 0.50 -1.27 0.04 0.00 -1.18 0.00 0.00 61.69 59.78 3gnq s THR 238 Cb 0.11 -0.85 -0.12 0.00 1.34 0.00 0.00 72.50 72.97 3gnq s THR 238 CO -0.02 -0.49 1.43 -0.29 -0.54 0.00 0.00 174.62 174.71 3gnq h ILE 239 N 4.15 1.48 -2.47 2.99 2.10 -1.89 -1.75 117.51 122.12 3gnq h ILE 239 Ca -0.36 -2.49 -0.04 0.00 1.08 0.00 0.00 64.86 63.06 3gnq h ILE 239 Cb 1.19 2.36 -0.16 0.00 -1.09 0.00 0.00 36.82 39.13 3gnq h ILE 239 CO 0.46 0.72 0.20 0.21 -1.08 0.00 0.00 178.15 178.67 3gnq s ASN 240 N -6.90 -0.61 0.00 2.19 2.47 -1.26 -4.62 114.94 106.20 3gnq s ASN 240 Ca -0.03 0.37 0.00 0.00 0.42 0.00 0.00 52.86 53.63 3gnq s ASN 240 Cb 0.11 0.57 0.00 0.00 -1.45 0.00 0.00 41.25 40.47 3gnq s ASN 240 CO 0.82 -0.78 0.00 0.52 -3.72 0.00 0.00 177.10 173.94 3gnq n VAL 241 N 0.29 -0.47 -4.68 -5.21 0.31 -1.26 -4.84 118.33 102.47 3gnq n VAL 241 Ca -0.18 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.85 3gnq n VAL 241 Cb 0.61 -0.47 -0.09 0.00 -0.91 0.00 0.00 33.84 32.98 3gnq n VAL 241 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3gnq s SER 242 N -0.13 3.93 0.01 4.52 0.01 0.63 -3.61 113.70 119.07 3gnq s SER 242 Ca 0.00 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 55.75 3gnq s SER 242 Cb 0.00 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.29 3gnq s SER 242 CO 0.00 -0.66 -0.03 -0.51 0.41 0.00 0.00 173.24 172.45 3gnq s ILE 243 N -2.82 0.14 -0.12 1.44 2.07 -0.57 -0.78 121.20 120.56 3gnq s ILE 243 Ca 0.21 -0.51 -0.06 0.00 -1.41 0.00 0.00 60.65 58.88 3gnq s ILE 243 Cb 0.06 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 42.40 3gnq s ILE 243 CO 0.11 -0.24 0.08 -0.69 -1.91 0.00 0.00 174.94 172.29 3gnq s VAL 244 N -0.76 4.99 -0.24 4.00 1.01 0.12 -1.54 120.40 127.98 3gnq s VAL 244 Ca -0.07 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 3gnq s VAL 244 Cb -0.05 -3.17 0.07 0.00 0.00 0.00 0.00 36.38 33.22 3gnq s VAL 244 CO -0.00 0.58 -0.00 -0.62 0.00 0.00 0.00 175.10 175.05 3gnq s ASP 245 N -0.65 3.67 -0.15 3.32 -1.08 -0.46 -1.34 116.67 119.98 3gnq s ASP 245 Ca 0.12 -1.19 -0.01 0.00 -0.52 0.00 0.00 52.55 50.95 3gnq s ASP 245 Cb -0.12 -1.00 -0.01 0.00 -1.46 0.00 0.00 42.92 40.33 3gnq s ASP 245 CO 0.02 -0.29 -0.12 -0.22 0.52 0.00 0.00 175.17 175.09 3gnq s LEU 246 N 1.53 2.71 -0.13 -1.34 2.96 0.15 -1.08 118.68 123.48 3gnq s LEU 246 Ca -0.02 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 3gnq s LEU 246 Cb -0.18 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3gnq s LEU 246 CO -0.09 0.11 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.54 3gnq s SER 247 N 0.66 4.59 0.08 3.68 0.01 -0.32 -1.07 113.70 121.32 3gnq s SER 247 Ca -0.06 -0.14 -0.09 0.00 1.31 0.00 0.00 55.95 56.97 3gnq s SER 247 Cb -0.15 -1.59 -0.00 0.00 0.21 0.00 0.00 66.02 64.49 3gnq s SER 247 CO 0.02 0.22 0.18 0.72 0.41 0.00 0.00 173.24 174.80 3gnq s PHE 248 N 0.05 0.14 -0.39 2.43 -0.12 0.33 0.08 117.98 120.50 3gnq s PHE 248 Ca -0.01 -0.53 -0.23 0.00 -0.05 0.00 0.00 56.93 56.11 3gnq s PHE 248 Cb -0.14 -0.06 0.01 0.00 -0.63 0.00 0.00 43.02 42.20 3gnq s PHE 248 CO 0.03 -0.51 0.80 0.42 -0.05 0.00 0.00 175.22 175.91 3gnq s ILE 249 N -3.57 4.70 0.26 -4.49 -1.09 -0.55 -1.04 121.20 115.41 3gnq s ILE 249 Ca 0.03 0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 58.96 3gnq s ILE 249 Cb 0.04 -4.25 -0.09 0.00 -1.58 0.00 0.00 42.46 36.57 3gnq s ILE 249 CO -0.09 -0.51 1.18 0.00 -1.23 0.00 0.00 174.94 174.28 3gnq s ALA 250 N 3.19 3.44 0.45 9.38 0.00 0.10 -0.76 121.76 137.57 3gnq s ALA 250 Ca 0.32 1.00 0.12 0.00 0.00 0.00 0.00 51.96 53.40 3gnq s ALA 250 Cb -0.13 -3.39 0.99 0.00 0.00 0.00 0.00 23.12 20.60 3gnq s ALA 250 CO 0.19 -0.34 2.02 0.87 0.00 0.00 0.00 175.76 178.50 3gnq h LYS 251 N 4.21 0.14 -4.89 0.00 6.56 -1.44 -3.45 116.57 117.70 3gnq h LYS 251 Ca -0.46 -0.02 -0.45 0.00 -1.06 0.00 0.00 60.65 58.65 3gnq h LYS 251 Cb 1.22 -0.03 -0.13 0.00 -0.57 0.00 0.00 32.23 32.71 3gnq h LYS 251 CO 0.69 0.21 -0.52 -0.98 -2.06 0.00 0.00 179.45 176.79 3gnq s ARG 252 N -4.91 1.70 0.50 3.15 1.70 -1.26 -5.09 118.95 114.75 3gnq s ARG 252 Ca -0.05 -1.99 -0.19 0.00 -0.47 0.00 0.00 55.73 53.03 3gnq s ARG 252 Cb 0.16 0.06 -0.08 0.00 -0.57 0.00 0.00 34.95 34.53 3gnq s ARG 252 CO 0.70 -0.55 1.03 -0.51 -1.08 0.00 0.00 175.30 174.89 3gnq s ASP 253 N -3.40 6.33 0.22 -2.89 1.11 -1.26 -4.87 116.67 111.91 3gnq s ASP 253 Ca 0.36 1.84 -0.06 0.00 0.18 0.00 0.00 52.55 54.88 3gnq s ASP 253 Cb 0.03 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 41.50 3gnq s ASP 253 CO 0.22 -0.79 0.39 1.07 1.18 0.00 0.00 175.17 177.24 3gnq n THR 254 N -1.21 0.00 -4.15 -1.27 5.66 -1.26 -5.13 114.28 106.93 3gnq n THR 254 Ca 0.09 -0.76 -0.10 0.00 -3.05 0.00 0.00 64.05 60.23 3gnq n THR 254 Cb 0.53 0.60 -0.10 0.00 -1.55 0.00 0.00 70.33 69.81 3gnq n THR 254 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3gnq s THR 255 N -2.55 0.08 0.04 1.09 -4.23 -1.26 -4.93 115.64 103.87 3gnq s THR 255 Ca 0.12 -1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 58.47 3gnq s THR 255 Cb -0.02 -2.13 -0.17 0.00 1.34 0.00 0.00 72.50 71.52 3gnq s THR 255 CO 0.09 -0.35 1.46 0.00 -0.54 0.00 0.00 174.62 175.28 3gnq h ALA 256 N 2.79 -0.38 -1.01 3.99 0.00 -1.95 -1.11 119.26 121.60 3gnq h ALA 256 Ca -0.35 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 54.66 3gnq h ALA 256 Cb 1.21 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.02 3gnq h ALA 256 CO 0.57 -0.62 0.60 0.00 0.00 0.00 0.00 179.25 179.80 3gnq h ALA 257 N 0.10 1.79 -0.00 0.00 0.00 -1.97 0.99 119.26 120.16 3gnq h ALA 257 Ca -0.04 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3gnq h ALA 257 Cb 0.41 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.21 3gnq h ALA 257 CO 0.06 -0.26 -0.34 1.49 0.00 0.00 0.00 179.25 180.20 3gnq h GLU 258 N 0.60 0.23 -0.49 0.00 4.81 -1.94 -2.26 114.58 115.53 3gnq h GLU 258 Ca 0.64 -0.25 0.09 0.00 -0.13 0.00 0.00 59.36 59.71 3gnq h GLU 258 Cb 1.20 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.57 3gnq h GLU 258 CO -0.46 0.97 -0.00 0.28 -0.73 0.00 0.00 179.01 179.07 3gnq h VAL 259 N -0.40 0.62 -0.06 0.32 2.07 -0.39 -0.82 116.25 117.59 3gnq h VAL 259 Ca -0.04 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3gnq h VAL 259 Cb 1.09 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3gnq h VAL 259 CO 0.07 0.02 -0.05 0.78 0.02 0.00 0.00 177.57 178.40 3gnq h ASN 260 N 0.11 -0.17 -0.68 0.57 2.35 -0.85 -2.59 115.58 114.33 3gnq h ASN 260 Ca 0.25 0.04 0.09 0.00 -0.55 0.00 0.00 56.30 56.12 3gnq h ASN 260 Cb 0.37 0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.75 3gnq h ASN 260 CO -0.41 -0.08 0.32 0.00 -1.65 0.00 0.00 177.43 175.61 3gnq h ALA 261 N 0.98 0.92 -0.09 -0.83 0.00 -0.80 0.59 119.26 120.04 3gnq h ALA 261 Ca 0.04 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3gnq h ALA 261 Cb 0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3gnq h ALA 261 CO -0.10 -0.09 -0.21 0.82 0.00 0.00 0.00 179.25 179.67 3gnq h ILE 262 N 0.55 0.49 -0.72 0.00 2.04 -0.94 -1.93 117.51 117.00 3gnq h ILE 262 Ca 0.34 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.13 3gnq h ILE 262 Cb 0.37 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3gnq h ILE 262 CO -0.28 0.00 0.19 0.24 0.00 0.00 0.00 178.15 178.30 3gnq h MET 263 N -0.28 1.13 0.36 2.37 2.86 -0.97 -0.85 114.93 119.55 3gnq h MET 263 Ca 0.09 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3gnq h MET 263 Cb 0.41 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3gnq h MET 263 CO -0.25 0.99 -0.37 -0.22 1.06 0.00 0.00 176.91 178.11 3gnq h LYS 264 N 1.08 -0.70 0.00 1.72 3.64 0.49 -1.81 116.57 120.98 3gnq h LYS 264 Ca 0.23 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3gnq h LYS 264 Cb 0.35 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3gnq h LYS 264 CO -0.00 -0.47 0.00 1.05 -2.27 0.00 0.00 179.45 177.76 3gnq h GLU 265 N -0.73 0.00 -0.46 1.90 4.11 -1.29 -0.13 114.58 117.98 3gnq h GLU 265 Ca -0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 3gnq h GLU 265 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3gnq h GLU 265 CO -0.05 0.00 0.18 0.00 0.07 0.00 0.00 179.01 179.21 3gnq h ALA 266 N 2.22 0.60 -0.04 1.06 0.00 -1.00 -1.92 119.26 120.18 3gnq h ALA 266 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3gnq h ALA 266 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3gnq h ALA 266 CO 0.00 0.20 -0.46 0.66 0.00 0.00 0.00 179.25 179.65 3gnq h SER 267 N 0.60 0.10 0.36 0.00 4.64 -0.17 -2.45 113.55 116.63 3gnq h SER 267 Ca 0.15 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3gnq h SER 267 Cb 0.19 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3gnq h SER 267 CO -0.01 0.55 -0.12 -0.62 -0.87 0.00 0.00 176.83 175.76 3gnq n GLU 268 N -3.99 0.68 0.00 4.77 1.02 -0.60 -3.45 120.64 119.07 3gnq n GLU 268 Ca -0.02 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 3gnq n GLU 268 Cb 0.49 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 3gnq n GLU 268 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gnq n GLY 269 N 1.29 2.46 0.34 0.62 0.00 -0.73 -4.84 105.19 104.32 3gnq n GLY 269 Ca 0.14 -0.19 0.20 0.00 0.00 0.00 0.00 46.02 46.17 3gnq n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnq h ALA 270 N 1.00 1.16 -0.32 4.61 0.00 -1.79 -0.57 119.26 123.36 3gnq h ALA 270 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gnq h ALA 270 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gnq h ALA 270 CO 0.00 -0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.43 3gnq n LEU 271 N -3.13 3.20 -4.61 0.00 4.77 -0.94 -5.04 117.00 111.23 3gnq n LEU 271 Ca -0.02 -2.30 -0.44 0.00 -0.03 0.00 0.00 56.01 53.22 3gnq n LEU 271 Cb 0.16 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 3gnq n LEU 271 CO 0.19 0.71 0.64 1.17 -1.33 0.00 0.00 177.39 178.77 3gnq n LYS 272 N 0.19 1.52 0.00 3.23 4.81 -0.22 -0.90 118.16 126.78 3gnq n LYS 272 Ca 0.14 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 3gnq n LYS 272 Cb 0.56 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.65 3gnq n LYS 272 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gnq n GLY 273 N 1.12 2.14 0.13 3.14 0.00 -1.26 -4.61 105.19 105.84 3gnq n GLY 273 Ca 0.08 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 3gnq n GLY 273 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gnq h ILE 274 N 0.00 1.32 -3.44 -0.61 1.08 -1.71 -3.39 117.51 110.75 3gnq h ILE 274 Ca 0.00 -1.13 -0.65 0.00 -0.39 0.00 0.00 64.86 62.69 3gnq h ILE 274 Cb 0.00 1.74 -0.25 0.00 -3.07 0.00 0.00 36.82 35.24 3gnq h ILE 274 CO 0.00 0.33 -0.69 -0.22 -0.69 0.00 0.00 178.15 176.89 3gnq s LEU 275 N -9.26 3.11 0.49 1.44 2.96 -0.08 -0.94 118.68 116.40 3gnq s LEU 275 Ca -0.14 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3gnq s LEU 275 Cb 0.05 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.97 3gnq s LEU 275 CO 0.74 0.02 0.69 -0.83 -1.32 0.00 0.00 176.35 175.64 3gnq s GLY 276 N 1.26 1.88 -0.03 7.98 0.00 0.15 -4.60 107.32 113.96 3gnq s GLY 276 Ca 0.03 -1.48 0.02 0.00 0.00 0.00 0.00 44.72 43.30 3gnq s GLY 276 CO 0.00 -1.24 -0.06 -0.47 0.00 0.00 0.00 173.10 171.33 3gnq s TYR 277 N -2.58 0.77 -0.05 1.90 5.04 -1.26 -1.45 117.35 119.71 3gnq s TYR 277 Ca 0.56 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 55.02 3gnq s TYR 277 Cb -0.10 -0.59 0.01 0.00 0.35 0.00 0.00 41.96 41.63 3gnq s TYR 277 CO 0.36 -0.12 -0.10 1.21 -1.34 0.00 0.00 175.55 175.56 3gnq s ASN 278 N 0.41 1.51 0.00 4.32 2.47 -0.19 -4.93 114.94 118.53 3gnq s ASN 278 Ca -0.06 -0.24 0.03 0.00 0.42 0.00 0.00 52.86 53.01 3gnq s ASN 278 Cb -0.10 -0.65 -0.03 0.00 -1.45 0.00 0.00 41.25 39.03 3gnq s ASN 278 CO 0.00 0.02 0.22 -0.62 -3.72 0.00 0.00 177.10 173.01 3gnq n GLU 279 N 3.75 4.89 -1.68 0.43 1.02 -1.26 -1.05 120.64 126.74 3gnq n GLU 279 Ca -0.23 -0.11 -0.31 0.00 -0.02 0.00 0.00 57.16 56.49 3gnq n GLU 279 Cb 0.52 -0.73 0.04 0.00 -0.02 0.00 0.00 31.44 31.25 3gnq n GLU 279 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gnq s ALA 280 N -1.17 2.82 -1.25 0.62 0.00 -1.26 -4.81 121.76 116.71 3gnq s ALA 280 Ca 0.02 0.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.84 3gnq s ALA 280 Cb 0.03 -3.14 0.14 0.00 0.00 0.00 0.00 23.12 20.15 3gnq s ALA 280 CO 0.13 -1.05 1.58 -0.35 0.00 0.00 0.00 175.76 176.07 3gnq n PRO 281 N -3.00 3.33 -3.98 0.00 -0.04 -1.26 -4.94 135.00 125.11 3gnq n PRO 281 Ca 0.07 -3.64 -0.22 0.00 -0.04 0.00 0.00 63.50 59.67 3gnq n PRO 281 Cb 0.54 -3.16 -0.05 0.00 -0.04 0.00 0.00 33.50 30.79 3gnq n PRO 281 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gnq s LEU 282 N 2.14 3.42 0.47 1.53 1.43 -1.26 -5.14 118.68 121.27 3gnq s LEU 282 Ca 0.46 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3gnq s LEU 282 Cb 0.00 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 3gnq s LEU 282 CO 0.02 -0.31 0.03 0.68 0.23 0.00 0.00 176.35 177.00 3gnq s VAL 283 N -2.36 1.14 0.26 -1.59 -7.23 -1.26 -5.05 120.40 104.31 3gnq s VAL 283 Ca 0.39 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 3gnq s VAL 283 Cb -0.04 -2.32 0.25 0.00 0.56 0.00 0.00 36.38 34.83 3gnq s VAL 283 CO 0.24 0.00 1.83 0.77 -0.31 0.00 0.00 175.10 177.63 3gnq h SER 284 N 1.52 0.82 0.61 4.85 4.64 -1.98 -1.84 113.55 122.17 3gnq h SER 284 Ca -0.42 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3gnq h SER 284 Cb 1.30 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3gnq h SER 284 CO 0.71 0.46 0.00 -0.29 -0.87 0.00 0.00 176.83 176.84 3gnq h ILE 285 N 0.92 0.00 0.00 0.95 6.09 -1.96 -2.52 117.51 120.99 3gnq h ILE 285 Ca 0.45 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 63.65 3gnq h ILE 285 Cb 0.41 1.20 0.00 0.00 0.47 0.00 0.00 36.82 38.90 3gnq h ILE 285 CO -0.25 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.30 3gnq n ASP 286 N -2.89 0.00 -0.69 2.19 10.43 -0.69 -2.04 116.55 122.86 3gnq n ASP 286 Ca -0.00 0.29 0.07 0.00 2.57 0.00 0.00 54.79 57.72 3gnq n ASP 286 Cb 0.21 -0.41 0.13 0.00 1.84 0.00 0.00 41.12 42.89 3gnq n ASP 286 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3gnq n PHE 287 N -1.41 0.31 -1.98 1.24 3.72 -0.95 -4.90 117.46 113.50 3gnq n PHE 287 Ca 0.07 -0.27 -0.42 0.00 -0.05 0.00 0.00 57.45 56.78 3gnq n PHE 287 Cb 0.20 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 3gnq n PHE 287 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3gnq s ASN 288 N -1.07 6.63 -1.04 4.37 2.47 -0.87 -1.96 114.94 123.46 3gnq s ASN 288 Ca 0.23 2.58 0.00 0.00 0.42 0.00 0.00 52.86 56.09 3gnq s ASN 288 Cb 0.13 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 3gnq s ASN 288 CO 0.19 -0.79 0.00 1.57 -3.72 0.00 0.00 177.10 174.35 3gnq n HIS 289 N 3.79 -0.19 -3.19 0.43 -0.00 -1.26 -5.01 115.22 109.78 3gnq n HIS 289 Ca 0.13 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.91 3gnq n HIS 289 Cb 0.39 -2.21 -0.07 0.00 -0.12 0.00 0.00 29.99 27.99 3gnq n HIS 289 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 3gnq s ASN 290 N -2.75 6.56 0.00 0.26 3.84 -0.83 -4.97 114.94 117.05 3gnq s ASN 290 Ca 0.00 0.68 0.31 0.00 0.21 0.00 0.00 52.86 54.07 3gnq s ASN 290 Cb 0.00 -2.31 1.79 0.00 -0.55 0.00 0.00 41.25 40.18 3gnq s ASN 290 CO 0.00 -0.26 2.16 -0.81 -2.79 0.00 0.00 177.10 175.41 3gnq n PRO 291 N 5.16 1.09 -1.68 0.43 -0.04 -1.26 -3.95 135.00 134.75 3gnq n PRO 291 Ca -0.03 -0.13 -0.39 0.00 -0.04 0.00 0.00 63.50 62.91 3gnq n PRO 291 Cb 0.50 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 3gnq n PRO 291 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gnq n ALA 292 N -0.85 0.95 0.14 0.55 0.00 -1.26 -4.50 120.51 115.55 3gnq n ALA 292 Ca 0.23 0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.79 3gnq n ALA 292 Cb 0.14 -2.23 0.21 0.00 0.00 0.00 0.00 19.45 17.57 3gnq n ALA 292 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3gnq h SER 293 N 1.28 0.03 -1.79 0.00 0.02 -1.27 -3.38 113.55 108.44 3gnq h SER 293 Ca -0.49 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 60.53 3gnq h SER 293 Cb 1.32 -0.01 -0.20 0.00 0.14 0.00 0.00 62.40 63.65 3gnq h SER 293 CO 0.56 0.58 -0.14 -0.55 -1.14 0.00 0.00 176.83 176.13 3gnq s SER 294 N -6.87 -1.17 -0.42 3.07 0.15 -1.03 -3.70 113.70 103.73 3gnq s SER 294 Ca -0.02 1.43 -0.06 0.00 0.70 0.00 0.00 55.95 58.00 3gnq s SER 294 Cb 0.13 2.26 0.10 0.00 -1.71 0.00 0.00 66.02 66.80 3gnq s SER 294 CO 0.76 -0.22 0.24 -0.89 1.20 0.00 0.00 173.24 174.32 3gnq s THR 295 N 2.88 3.70 0.34 6.45 2.01 -0.34 0.33 115.64 131.01 3gnq s THR 295 Ca -0.01 -1.80 -0.28 0.00 0.31 0.00 0.00 61.69 59.91 3gnq s THR 295 Cb -0.12 -3.42 -0.10 0.00 0.01 0.00 0.00 72.50 68.87 3gnq s THR 295 CO -0.19 -0.63 1.30 0.12 -0.69 0.00 0.00 174.62 174.52 3gnq s PHE 296 N 1.27 3.03 -0.40 4.92 5.36 -0.53 -0.85 117.98 130.78 3gnq s PHE 296 Ca 0.05 1.43 -0.02 0.00 -0.96 0.00 0.00 56.93 57.43 3gnq s PHE 296 Cb -0.23 -3.66 0.11 0.00 -0.34 0.00 0.00 43.02 38.89 3gnq s PHE 296 CO -0.02 -1.84 0.18 0.34 -1.46 0.00 0.00 175.22 172.43 3gnq s ASP 297 N -0.56 5.21 0.40 6.13 -1.08 -0.34 -1.03 116.67 125.40 3gnq s ASP 297 Ca 0.50 -1.99 0.08 0.00 -0.52 0.00 0.00 52.55 50.62 3gnq s ASP 297 Cb -0.39 -1.81 0.83 0.00 -1.46 0.00 0.00 42.92 40.09 3gnq s ASP 297 CO 0.52 -0.52 1.99 0.00 0.52 0.00 0.00 175.17 177.68 3gnq h ALA 298 N 8.02 1.62 0.00 3.66 0.00 -1.40 -2.72 119.26 128.45 3gnq h ALA 298 Ca -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gnq h ALA 298 Cb 1.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3gnq h ALA 298 CO 0.68 0.30 0.00 0.25 0.00 0.00 0.00 179.25 180.47 3gnq n THR 299 N -4.39 1.36 0.09 0.00 -2.24 -1.25 -2.07 114.28 105.78 3gnq n THR 299 Ca 0.01 0.47 0.03 0.00 -2.27 0.00 0.00 64.05 62.29 3gnq n THR 299 Cb 0.15 -1.41 0.05 0.00 -2.10 0.00 0.00 70.33 67.03 3gnq n THR 299 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gnq n LEU 300 N -1.81 1.97 -4.77 3.22 4.77 -1.02 -5.02 117.00 114.34 3gnq n LEU 300 Ca 0.01 -1.46 -0.40 0.00 -0.03 0.00 0.00 56.01 54.13 3gnq n LEU 300 Cb 0.08 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3gnq n LEU 300 CO 0.08 0.46 0.92 -0.89 -1.33 0.00 0.00 177.39 176.64 3gnq s THR 301 N -0.73 2.88 -0.08 -5.08 2.01 -0.88 -4.75 115.64 109.00 3gnq s THR 301 Ca 0.10 0.84 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 3gnq s THR 301 Cb 0.06 -3.52 0.04 0.00 0.01 0.00 0.00 72.50 69.09 3gnq s THR 301 CO 0.08 0.17 0.18 -0.75 -0.69 0.00 0.00 174.62 173.61 3gnq s LYS 302 N -1.91 0.14 -0.07 4.92 2.47 -0.70 -5.01 119.74 119.57 3gnq s LYS 302 Ca 0.51 0.41 0.02 0.00 -1.56 0.00 0.00 55.97 55.35 3gnq s LYS 302 Cb -0.37 -0.13 0.01 0.00 -1.46 0.00 0.00 37.83 35.88 3gnq s LYS 302 CO 0.48 -0.15 -0.12 0.14 0.16 0.00 0.00 175.35 175.86 3gnq s VAL 303 N 1.09 1.17 -0.33 4.02 -7.23 -1.26 -1.00 120.40 116.86 3gnq s VAL 303 Ca -0.08 -0.49 -0.00 0.00 -1.81 0.00 0.00 61.98 59.60 3gnq s VAL 303 Cb -0.10 -1.08 0.11 0.00 0.56 0.00 0.00 36.38 35.87 3gnq s VAL 303 CO -0.06 0.37 0.12 -0.55 -0.31 0.00 0.00 175.10 174.67 3gnq s SER 304 N 0.76 3.95 1.40 4.85 0.15 0.87 -4.91 113.70 120.78 3gnq s SER 304 Ca -0.13 -1.82 0.00 0.00 0.70 0.00 0.00 55.95 54.70 3gnq s SER 304 Cb -0.16 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 3gnq s SER 304 CO 0.03 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3gnq n GLY 305 N 4.60 2.92 0.00 9.45 0.00 -1.26 -1.63 105.19 119.27 3gnq n GLY 305 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.81 3gnq n GLY 305 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gnq n ARG 306 N 13.72 0.19 -3.31 1.61 5.12 -1.26 -4.62 116.66 128.11 3gnq n ARG 306 Ca 0.00 0.13 -0.40 0.00 -1.93 0.00 0.00 57.85 55.65 3gnq n ARG 306 Cb 0.00 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 29.72 3gnq n ARG 306 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3gnq s LEU 307 N -2.70 4.07 -0.07 0.55 2.96 -0.64 0.03 118.68 122.88 3gnq s LEU 307 Ca 0.15 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 3gnq s LEU 307 Cb 0.12 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 3gnq s LEU 307 CO 0.30 -0.26 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.23 3gnq s VAL 308 N 2.21 2.93 -0.12 1.68 1.01 -0.21 -0.09 120.40 127.81 3gnq s VAL 308 Ca 0.18 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3gnq s VAL 308 Cb -0.16 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.07 3gnq s VAL 308 CO 0.10 0.57 -0.17 -0.75 0.00 0.00 0.00 175.10 174.84 3gnq s LYS 309 N -0.33 2.46 0.04 2.72 2.20 -0.17 -0.51 119.74 126.15 3gnq s LYS 309 Ca 0.03 -0.65 0.04 0.00 -0.36 0.00 0.00 55.97 55.03 3gnq s LYS 309 Cb -0.13 -2.06 -0.02 0.00 -1.51 0.00 0.00 37.83 34.11 3gnq s LYS 309 CO 0.02 -0.05 -0.13 0.14 -0.36 0.00 0.00 175.35 174.97 3gnq s VAL 310 N 0.95 1.00 0.06 4.02 -7.23 -0.23 -1.72 120.40 117.24 3gnq s VAL 310 Ca -0.06 -1.02 0.05 0.00 -1.81 0.00 0.00 61.98 59.14 3gnq s VAL 310 Cb -0.15 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 3gnq s VAL 310 CO -0.02 -0.08 -0.15 -0.44 -0.31 0.00 0.00 175.10 174.10 3gnq s SER 311 N -1.24 1.76 -0.02 4.85 0.01 -1.26 -0.67 113.70 117.14 3gnq s SER 311 Ca -0.01 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.72 3gnq s SER 311 Cb -0.08 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.07 3gnq s SER 311 CO 0.01 -0.01 -0.02 -0.55 0.41 0.00 0.00 173.24 173.08 3gnq s SER 312 N -1.45 0.44 0.18 2.44 0.15 -0.45 -1.20 113.70 113.81 3gnq s SER 312 Ca 0.01 -0.05 -0.20 0.00 0.70 0.00 0.00 55.95 56.41 3gnq s SER 312 Cb -0.09 -0.14 -0.08 0.00 -1.71 0.00 0.00 66.02 64.01 3gnq s SER 312 CO 0.02 -0.02 0.68 0.26 1.20 0.00 0.00 173.24 175.39 3gnq s TRP 313 N 0.39 3.72 -0.11 3.44 0.52 -0.03 0.11 118.94 126.99 3gnq s TRP 313 Ca -0.04 1.37 -0.05 0.00 0.02 0.00 0.00 56.10 57.40 3gnq s TRP 313 Cb -0.07 -2.59 0.05 0.00 -1.15 0.00 0.00 33.47 29.71 3gnq s TRP 313 CO -0.01 0.42 0.25 1.52 0.02 0.00 0.00 176.95 179.15 3gnq s TYR 314 N -1.38 -0.34 -0.61 -1.98 -0.85 0.04 -1.20 117.35 111.03 3gnq s TYR 314 Ca 0.39 0.81 -0.27 0.00 -0.52 0.00 0.00 57.07 57.47 3gnq s TYR 314 Cb -0.18 0.05 0.00 0.00 0.38 0.00 0.00 41.96 42.21 3gnq s TYR 314 CO 0.21 -0.24 1.57 0.34 -1.52 0.00 0.00 175.55 175.91 3gnq s ASP 315 N 1.32 5.79 0.59 -0.18 3.68 -1.26 -0.27 116.67 126.35 3gnq s ASP 315 Ca -0.09 0.18 0.36 0.00 2.13 0.00 0.00 52.55 55.13 3gnq s ASP 315 Cb -0.10 -2.54 1.82 0.00 -1.45 0.00 0.00 42.92 40.64 3gnq s ASP 315 CO -0.09 -2.00 2.17 -0.55 0.13 0.00 0.00 175.17 174.83 3gnq h ASN 316 N 12.41 0.00 0.00 -0.34 -1.07 -1.92 -0.92 115.58 123.73 3gnq h ASN 316 Ca -0.27 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 55.96 3gnq h ASN 316 Cb 1.11 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.34 3gnq h ASN 316 CO 1.21 0.03 -0.97 -0.62 0.07 0.00 0.00 177.43 177.15 3gnq n GLU 317 N -3.26 0.52 0.02 4.14 1.02 -1.26 -4.22 120.64 117.59 3gnq n GLU 317 Ca -0.02 0.54 -0.19 0.00 -0.02 0.00 0.00 57.16 57.48 3gnq n GLU 317 Cb 0.19 -1.71 -0.11 0.00 -0.02 0.00 0.00 31.44 29.78 3gnq n GLU 317 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3gnq h TRP 318 N -1.00 0.71 0.43 -0.32 -0.00 -1.85 -1.69 115.95 112.23 3gnq h TRP 318 Ca -0.21 -0.40 -0.01 0.00 -0.00 0.00 0.00 58.89 58.27 3gnq h TRP 318 Cb 0.97 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 30.04 3gnq h TRP 318 CO -0.05 1.24 -0.33 0.78 -0.00 0.00 0.00 178.44 180.08 3gnq h GLY 319 N -0.02 -0.82 1.09 2.65 0.00 -1.29 -2.06 103.07 102.63 3gnq h GLY 319 Ca -0.10 0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.66 3gnq h GLY 319 CO 0.15 -0.30 0.46 -2.75 0.00 0.00 0.00 176.54 174.09 3gnq h PHE 320 N -0.75 0.73 -0.18 5.60 3.57 -1.67 -2.79 116.94 121.46 3gnq h PHE 320 Ca -0.04 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 3gnq h PHE 320 Cb 0.65 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3gnq h PHE 320 CO -0.15 0.39 -0.40 0.77 -2.23 0.00 0.00 178.31 176.70 3gnq h SER 321 N 0.73 0.67 -0.42 0.41 0.02 -1.11 -1.36 113.55 112.48 3gnq h SER 321 Ca 0.30 -0.56 0.01 0.00 -0.84 0.00 0.00 61.79 60.69 3gnq h SER 321 Cb 0.24 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3gnq h SER 321 CO -0.09 1.10 0.28 0.78 -1.14 0.00 0.00 176.83 177.76 3gnq h ASN 322 N 0.25 0.48 0.60 3.07 2.35 -1.18 -2.39 115.58 118.75 3gnq h ASN 322 Ca 0.00 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 3gnq h ASN 322 Cb 1.01 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 3gnq h ASN 322 CO 0.09 0.34 -0.65 0.03 -1.65 0.00 0.00 177.43 175.59 3gnq h ARG 323 N 0.56 0.05 -0.74 0.81 2.47 -1.24 -2.84 114.38 113.45 3gnq h ARG 323 Ca 0.16 -0.04 0.06 0.00 -1.26 0.00 0.00 59.98 58.90 3gnq h ARG 323 Cb -0.05 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.23 3gnq h ARG 323 CO -0.03 0.69 0.49 0.52 0.56 0.00 0.00 179.97 182.19 3gnq h MET 324 N 0.04 0.78 0.29 0.04 2.86 -0.72 0.81 114.93 119.03 3gnq h MET 324 Ca -0.01 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3gnq h MET 324 Cb 1.16 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.65 3gnq h MET 324 CO 0.09 0.51 -0.14 -0.07 1.06 0.00 0.00 176.91 178.36 3gnq h LEU 325 N 0.80 -0.33 -0.72 1.22 3.38 -1.43 -1.34 115.31 116.89 3gnq h LEU 325 Ca 0.32 -0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.25 3gnq h LEU 325 Cb 0.22 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 40.95 3gnq h LEU 325 CO -0.10 0.04 0.16 0.44 0.09 0.00 0.00 178.44 179.07 3gnq h ASP 326 N -0.75 -0.00 1.39 -0.43 3.32 -1.24 -2.02 116.42 116.68 3gnq h ASP 326 Ca -0.04 0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 3gnq h ASP 326 Cb 0.50 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3gnq h ASP 326 CO 0.07 -0.04 -0.42 0.74 -1.72 0.00 0.00 179.24 177.87 3gnq h THR 327 N 0.26 0.77 -0.10 0.35 2.02 -0.83 -2.49 112.91 112.89 3gnq h THR 327 Ca 0.40 -1.93 -0.00 0.00 0.77 0.00 0.00 66.41 65.65 3gnq h THR 327 Cb 0.67 2.26 -0.00 0.00 -1.74 0.00 0.00 68.15 69.34 3gnq h THR 327 CO -0.50 0.41 0.06 0.00 0.37 0.00 0.00 175.52 175.86 3gnq h ALA 328 N 1.58 0.13 0.29 6.16 0.00 -0.53 -2.23 119.26 124.65 3gnq h ALA 328 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3gnq h ALA 328 Cb 1.23 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gnq h ALA 328 CO 0.05 -0.34 -0.18 0.82 0.00 0.00 0.00 179.25 179.60 3gnq h ILE 329 N 0.07 0.00 -0.96 0.00 1.08 -1.30 -2.06 117.51 114.35 3gnq h ILE 329 Ca 0.04 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.79 3gnq h ILE 329 Cb 0.07 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 33.64 3gnq h ILE 329 CO -0.01 0.00 0.10 0.00 -0.69 0.00 0.00 178.15 177.55 3gnq n ALA 330 N -2.35 0.57 0.08 1.87 0.00 -0.95 0.52 120.51 120.25 3gnq n ALA 330 Ca -0.05 1.02 -0.02 0.00 0.00 0.00 0.00 53.44 54.39 3gnq n ALA 330 Cb 0.19 -0.79 0.23 0.00 0.00 0.00 0.00 19.45 19.08 3gnq n ALA 330 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3gnq h LEU 331 N 0.00 0.31 -0.14 0.00 5.85 -1.27 -3.20 115.31 116.86 3gnq h LEU 331 Ca 0.62 -0.12 -0.23 0.00 0.84 0.00 0.00 57.88 59.00 3gnq h LEU 331 Cb 1.35 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3gnq h LEU 331 CO -0.88 0.65 -0.99 0.00 -0.34 0.00 0.00 178.44 176.88 3gnq h ALA 332 N 1.37 0.36 -1.34 1.25 0.00 0.81 -3.35 119.26 118.36 3gnq h ALA 332 Ca 0.03 -0.76 -0.70 0.00 0.00 0.00 0.00 54.91 53.47 3gnq h ALA 332 Cb 0.75 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 18.17 3gnq h ALA 332 CO 0.06 0.91 0.33 0.09 0.00 0.00 0.00 179.25 180.63 3gnq n ASN 333 N -3.65 6.32 0.00 0.00 4.13 -0.80 -5.07 115.26 116.20 3gnq n ASN 333 Ca -0.06 -3.76 0.16 0.00 1.68 0.00 0.00 54.58 52.60 3gnq n ASN 333 Cb 0.87 -0.84 0.92 0.00 -1.54 0.00 0.00 39.78 39.19 3gnq n ASN 333 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54