#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 4.66 -0.35 12.58 1.09 -0.98 -4.88 121.20 133.32 3gnq s ILE 2 Ca 0.00 1.49 -0.12 0.00 -1.10 0.00 0.00 60.65 60.92 3gnq s ILE 2 Cb 0.00 -4.04 -0.00 0.00 -1.06 0.00 0.00 42.46 37.35 3gnq s ILE 2 CO 0.00 0.46 0.22 -0.13 -0.10 0.00 0.00 174.94 175.39 3gnq s ARG 3 N -0.61 3.30 -0.07 2.79 0.52 -1.26 -0.41 118.95 123.20 3gnq s ARG 3 Ca 0.34 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 54.81 3gnq s ARG 3 Cb -0.21 -3.77 -0.02 0.00 0.52 0.00 0.00 34.95 31.48 3gnq s ARG 3 CO 0.22 -0.51 -0.15 0.08 0.02 0.00 0.00 175.30 174.96 3gnq s VAL 4 N 1.67 3.00 0.03 3.52 1.01 0.32 -0.47 120.40 129.47 3gnq s VAL 4 Ca 0.05 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.38 3gnq s VAL 4 Cb -0.18 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3gnq s VAL 4 CO 0.09 0.57 -0.23 0.00 0.00 0.00 0.00 175.10 175.53 3gnq s ALA 5 N -0.44 2.35 -0.35 5.51 0.00 -0.70 -1.13 121.76 127.00 3gnq s ALA 5 Ca 0.05 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 3gnq s ALA 5 Cb -0.12 -0.59 0.05 0.00 0.00 0.00 0.00 23.12 22.46 3gnq s ALA 5 CO 0.02 0.54 0.12 0.42 0.00 0.00 0.00 175.76 176.87 3gnq s ILE 6 N -0.80 3.68 -0.41 0.00 1.01 -0.82 -0.21 121.20 123.66 3gnq s ILE 6 Ca 0.12 -1.31 -0.27 0.00 0.00 0.00 0.00 60.65 59.20 3gnq s ILE 6 Cb -0.10 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.23 3gnq s ILE 6 CO 0.02 -0.27 0.98 0.21 0.00 0.00 0.00 174.94 175.88 3gnq s ASN 7 N 1.54 6.64 0.00 3.58 2.47 -0.34 -1.28 114.94 127.54 3gnq s ASN 7 Ca -0.00 0.46 0.00 0.00 0.42 0.00 0.00 52.86 53.73 3gnq s ASN 7 Cb -0.20 -2.48 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 3gnq s ASN 7 CO 0.01 -0.99 0.00 0.61 -3.72 0.00 0.00 177.10 173.02 3gnq n GLY 8 N 4.59 -0.63 2.68 1.21 0.00 0.55 -0.76 105.19 112.83 3gnq n GLY 8 Ca 0.08 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 1.73 3.46 -0.20 1.61 4.19 -1.26 -4.22 117.16 122.47 3gnq n TYR 9 Ca 0.00 -3.17 0.00 0.00 3.31 0.00 0.00 57.90 58.04 3gnq n TYR 9 Cb 0.00 -0.46 0.00 0.00 0.49 0.00 0.00 39.34 39.37 3gnq n TYR 9 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3gnq n GLY 10 N -0.40 -0.35 0.23 2.98 0.00 -1.26 -4.57 105.19 101.82 3gnq n GLY 10 Ca 0.40 -1.66 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.18 -0.32 1.61 3.08 -1.94 0.44 114.38 117.08 3gnq h ARG 11 Ca 0.00 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.11 3gnq h ARG 11 Cb 0.00 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 3gnq h ARG 11 CO 0.00 -0.12 0.04 0.82 -1.07 0.00 0.00 179.97 179.64 3gnq h ILE 12 N -0.18 0.81 0.29 2.04 2.04 -1.93 0.11 117.51 120.70 3gnq h ILE 12 Ca 0.14 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 3gnq h ILE 12 Cb 0.39 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3gnq h ILE 12 CO -0.36 0.03 -0.26 1.23 0.00 0.00 0.00 178.15 178.79 3gnq h GLY 13 N 0.14 -0.60 1.02 5.37 0.00 -1.58 -0.89 103.07 106.53 3gnq h GLY 13 Ca 0.15 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 3gnq h GLY 13 CO -0.22 -0.24 0.50 3.21 0.00 0.00 0.00 176.54 179.78 3gnq h ARG 14 N -0.57 1.21 -0.15 4.80 3.08 -0.54 -1.11 114.38 121.09 3gnq h ARG 14 Ca -0.01 -0.13 -0.20 0.00 0.07 0.00 0.00 59.98 59.70 3gnq h ARG 14 Cb 0.52 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3gnq h ARG 14 CO -0.04 0.87 -0.71 -0.91 -1.07 0.00 0.00 179.97 178.11 3gnq h ASN 15 N 1.21 0.78 -0.25 7.04 2.35 -0.64 -0.07 115.58 126.01 3gnq h ASN 15 Ca 0.31 -0.49 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3gnq h ASN 15 Cb -0.00 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3gnq h ASN 15 CO -0.05 1.26 0.12 0.74 -1.65 0.00 0.00 177.43 177.85 3gnq h THR 16 N 0.47 0.99 -0.83 2.81 2.02 -0.88 0.26 112.91 117.75 3gnq h THR 16 Ca -0.03 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.09 3gnq h THR 16 Cb 1.32 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 3gnq h THR 16 CO 0.14 0.05 0.53 0.25 0.37 0.00 0.00 175.52 176.86 3gnq h LEU 17 N 0.25 0.88 -0.44 2.58 6.46 -0.78 -2.59 115.31 121.68 3gnq h LEU 17 Ca 0.10 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.73 3gnq h LEU 17 Cb 0.03 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 3gnq h LEU 17 CO -0.07 0.61 -0.20 0.03 -0.62 0.00 0.00 178.44 178.19 3gnq h ARG 18 N 1.04 0.91 -0.94 1.25 3.08 -0.62 -3.00 114.38 116.09 3gnq h ARG 18 Ca 0.33 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3gnq h ARG 18 Cb -0.01 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 3gnq h ARG 18 CO -0.11 1.05 0.57 0.00 -1.07 0.00 0.00 179.97 180.41 3gnq h ALA 19 N 0.84 1.24 -0.01 0.04 0.00 -0.76 0.50 119.26 121.11 3gnq h ALA 19 Ca 0.10 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3gnq h ALA 19 Cb 0.76 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3gnq h ALA 19 CO 0.06 0.66 -0.27 0.35 0.00 0.00 0.00 179.25 180.05 3gnq h PHE 20 N 1.29 -0.72 -0.14 0.00 3.57 -1.34 -0.89 116.94 118.72 3gnq h PHE 20 Ca 0.34 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.71 3gnq h PHE 20 Cb -0.07 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3gnq h PHE 20 CO 0.00 -0.36 -0.54 1.88 -2.23 0.00 0.00 178.31 177.07 3gnq h TYR 21 N -0.40 0.52 0.00 0.41 -1.99 -1.31 -2.67 116.97 111.53 3gnq h TYR 21 Ca 0.07 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.61 3gnq h TYR 21 Cb 0.49 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.12 3gnq h TYR 21 CO -0.31 0.86 -0.01 0.93 -0.00 0.00 0.00 178.16 179.64 3gnq h GLU 22 N 0.32 0.00 -0.20 4.88 5.08 0.19 -2.35 114.58 122.50 3gnq h GLU 22 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3gnq h GLU 22 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3gnq h GLU 22 CO 0.09 0.01 0.00 -1.71 -1.00 0.00 0.00 179.01 176.40 3gnq n ASN 23 N -3.10 1.21 -0.11 1.42 5.15 -0.36 -4.91 115.26 114.57 3gnq n ASN 23 Ca 0.02 -1.88 -0.01 0.00 -0.60 0.00 0.00 54.58 52.11 3gnq n ASN 23 Cb 0.41 -0.13 -0.00 0.00 -0.53 0.00 0.00 39.78 39.53 3gnq n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gnq n GLY 24 N 0.92 0.45 3.73 8.20 0.00 -0.88 -3.77 105.19 113.83 3gnq n GLY 24 Ca 0.10 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.67 -5.07 0.13 1.61 5.02 -1.01 -4.88 118.16 111.28 3gnq n LYS 25 Ca -0.01 0.60 -0.00 0.00 -2.02 0.00 0.00 58.31 56.88 3gnq n LYS 25 Cb 0.12 -5.46 0.25 0.00 -0.02 0.00 0.00 35.03 29.92 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 -1.81 0.10 -6.74 1.97 1.57 -1.81 -3.43 116.57 106.42 3gnq h LYS 26 Ca -0.55 -0.05 -0.53 0.00 -1.87 0.00 0.00 60.65 57.66 3gnq h LYS 26 Cb 1.36 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.73 3gnq h LYS 26 CO 0.64 0.54 0.77 -1.01 -0.57 0.00 0.00 179.45 179.82 3gnq s HIS 27 N -4.02 3.02 -1.51 -1.35 3.76 -1.26 -4.89 115.29 109.04 3gnq s HIS 27 Ca -0.03 1.00 -0.12 0.00 -0.15 0.00 0.00 55.06 55.76 3gnq s HIS 27 Cb 0.13 -3.83 -0.00 0.00 1.11 0.00 0.00 32.58 29.99 3gnq s HIS 27 CO 0.76 -2.72 2.51 -3.47 -0.85 0.00 0.00 174.74 170.96 3gnq n ASP 28 N 2.45 6.04 -4.06 1.40 4.64 -1.26 -4.83 116.55 120.93 3gnq n ASP 28 Ca 0.07 -2.76 -0.10 0.00 -1.38 0.00 0.00 54.79 50.62 3gnq n ASP 28 Cb 0.40 -1.60 -0.07 0.00 -1.04 0.00 0.00 41.12 38.81 3gnq n ASP 28 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 3gnq s LEU 29 N 1.11 0.78 -0.01 -2.67 0.05 -1.26 -2.32 118.68 114.36 3gnq s LEU 29 Ca 0.56 -1.07 0.02 0.00 0.05 0.00 0.00 54.13 53.70 3gnq s LEU 29 Cb 0.16 1.15 -0.01 0.00 -2.05 0.00 0.00 46.19 45.44 3gnq s LEU 29 CO -0.07 -0.97 -0.08 -1.61 -0.55 0.00 0.00 176.35 173.06 3gnq s GLU 30 N -4.05 0.63 -0.40 1.48 0.41 0.45 -4.86 118.70 112.36 3gnq s GLU 30 Ca 0.26 -0.29 -0.21 0.00 -0.41 0.00 0.00 54.97 54.33 3gnq s GLU 30 Cb 0.03 -0.61 0.01 0.00 -1.78 0.00 0.00 34.13 31.78 3gnq s GLU 30 CO 0.08 0.17 0.66 0.42 -0.49 0.00 0.00 175.26 176.10 3gnq s ILE 31 N -0.20 4.83 -1.09 -1.63 1.01 -1.26 -0.52 121.20 122.33 3gnq s ILE 31 Ca 0.03 0.38 0.14 0.00 0.00 0.00 0.00 60.65 61.21 3gnq s ILE 31 Cb -0.03 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 3gnq s ILE 31 CO -0.00 -0.49 0.72 1.33 0.00 0.00 0.00 174.94 176.50 3gnq n VAL 32 N 5.78 0.00 -3.56 2.92 0.24 -0.28 -4.74 118.33 118.69 3gnq n VAL 32 Ca -0.01 -0.28 -0.09 0.00 -2.04 0.00 0.00 64.34 61.92 3gnq n VAL 32 Cb 0.48 1.11 -0.04 0.00 -1.47 0.00 0.00 33.84 33.92 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 -1.97 -1.92 -0.04 2.33 0.00 -1.25 -2.88 121.76 116.03 3gnq s ALA 33 Ca 0.10 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.48 3gnq s ALA 33 Cb 0.11 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.91 3gnq s ALA 33 CO 0.44 -0.45 0.08 0.42 0.00 0.00 0.00 175.76 176.25 3gnq s ILE 34 N -1.83 -0.05 -0.24 0.00 1.01 0.08 -1.94 121.20 118.24 3gnq s ILE 34 Ca 0.02 0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.79 3gnq s ILE 34 Cb -0.01 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.31 3gnq s ILE 34 CO -0.02 0.07 0.01 0.21 0.00 0.00 0.00 174.94 175.21 3gnq s ASN 35 N 0.97 4.69 -0.02 3.58 2.47 -0.40 -0.58 114.94 125.64 3gnq s ASN 35 Ca -0.08 -0.38 -0.20 0.00 0.42 0.00 0.00 52.86 52.62 3gnq s ASN 35 Cb -0.11 -1.82 0.04 0.00 -1.45 0.00 0.00 41.25 37.91 3gnq s ASN 35 CO -0.04 -0.05 0.42 -0.62 -3.72 0.00 0.00 177.10 173.09 3gnq s ASP 36 N 1.52 -0.33 0.14 -4.21 2.15 -0.59 -0.33 116.67 115.03 3gnq s ASP 36 Ca 0.05 0.27 0.24 0.00 0.43 0.00 0.00 52.55 53.54 3gnq s ASP 36 Cb -0.15 0.38 0.22 0.00 -0.30 0.00 0.00 42.92 43.07 3gnq s ASP 36 CO -0.00 -0.50 1.22 -0.07 -0.17 0.00 0.00 175.17 175.65 3gnq h LEU 37 N 3.58 0.00-10.32 -1.34 4.07 -1.92 -3.35 115.31 106.04 3gnq h LEU 37 Ca -0.29 -0.17 -0.47 0.00 0.08 0.00 0.00 57.88 57.03 3gnq h LEU 37 Cb 1.17 0.00 0.16 0.00 1.08 0.00 0.00 40.66 43.07 3gnq h LEU 37 CO 0.40 0.08 0.21 -0.83 -1.08 0.00 0.00 178.44 177.22 3gnq s GLY 38 N -3.86 1.60 0.29 0.83 0.00 -1.26 -5.02 107.32 99.91 3gnq s GLY 38 Ca 0.04 -0.09 -0.14 0.00 0.00 0.00 0.00 44.72 44.54 3gnq s GLY 38 CO 0.75 0.45 0.69 0.51 0.00 0.00 0.00 173.10 175.49 3gnq s ASP 39 N -3.29 6.75 0.23 1.64 -4.77 -1.26 -4.97 116.67 111.01 3gnq s ASP 39 Ca 0.64 1.20 -0.07 0.00 -3.30 0.00 0.00 52.55 51.02 3gnq s ASP 39 Cb -0.19 -2.34 0.27 0.00 -1.09 0.00 0.00 42.92 39.57 3gnq s ASP 39 CO 0.58 -0.16 1.86 0.00 0.70 0.00 0.00 175.17 178.15 3gnq h ALA 40 N 2.40 1.09 -0.30 2.11 0.00 -1.96 -2.68 119.26 119.92 3gnq h ALA 40 Ca -0.48 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.45 3gnq h ALA 40 Cb 1.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3gnq h ALA 40 CO 0.66 0.29 0.10 -0.22 0.00 0.00 0.00 179.25 180.08 3gnq h LYS 41 N 0.96 0.23 -0.40 0.00 3.64 -1.99 0.76 116.57 119.78 3gnq h LYS 41 Ca 0.34 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3gnq h LYS 41 Cb 0.08 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3gnq h LYS 41 CO -0.14 0.15 0.25 1.15 -2.27 0.00 0.00 179.45 178.59 3gnq h THR 42 N 0.23 1.07 0.00 1.00 2.02 -1.89 -1.21 112.91 114.13 3gnq h THR 42 Ca 0.13 -0.17 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 3gnq h THR 42 Cb 0.10 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3gnq h THR 42 CO -0.14 0.09 -0.35 0.78 0.37 0.00 0.00 175.52 176.28 3gnq h ASN 43 N 0.50 0.00 -0.18 4.18 2.35 -1.17 -0.81 115.58 120.47 3gnq h ASN 43 Ca 0.15 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 3gnq h ASN 43 Cb -0.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 3gnq h ASN 43 CO -0.05 0.35 -0.12 0.00 -1.65 0.00 0.00 177.43 175.96 3gnq h ALA 44 N 1.65 0.25 -0.77 -0.83 0.00 -0.52 -2.18 119.26 116.86 3gnq h ALA 44 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3gnq h ALA 44 Cb 0.62 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3gnq h ALA 44 CO 0.04 0.10 0.43 1.25 0.00 0.00 0.00 179.25 181.08 3gnq h HIS 45 N 0.06 1.04 0.00 0.00 -0.00 -0.81 -1.77 115.15 113.67 3gnq h HIS 45 Ca 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3gnq h HIS 45 Cb 0.62 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 3gnq h HIS 45 CO 0.07 0.72 0.00 -0.07 -0.00 0.00 0.00 177.93 178.66 3gnq h LEU 46 N 1.06 0.00 -0.02 0.26 3.38 -1.14 -0.94 115.31 117.91 3gnq h LEU 46 Ca 0.27 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 3gnq h LEU 46 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 3gnq h LEU 46 CO -0.05 0.00 -0.41 0.74 0.09 0.00 0.00 178.44 178.82 3gnq h THR 47 N 0.00 1.47 -0.51 0.22 2.02 -0.80 -3.36 112.91 111.95 3gnq h THR 47 Ca 0.00 -1.94 -0.10 0.00 0.77 0.00 0.00 66.41 65.14 3gnq h THR 47 Cb 0.60 2.58 -0.02 0.00 -1.74 0.00 0.00 68.15 69.57 3gnq h THR 47 CO 0.00 0.55 -0.07 -0.61 0.37 0.00 0.00 175.52 175.76 3gnq h GLN 48 N -0.25 0.92 -5.95 6.66 5.75 -1.12 -3.40 115.11 117.73 3gnq h GLN 48 Ca -0.04 -0.31 -0.62 0.00 -0.15 0.00 0.00 58.65 57.53 3gnq h GLN 48 Cb 1.12 -0.08 -0.30 0.00 1.07 0.00 0.00 27.48 29.29 3gnq h GLN 48 CO 0.08 0.96 -0.86 0.71 -2.65 0.00 0.00 178.83 177.07 3gnq s TYR 49 N -4.88 1.99 -0.08 3.99 2.02 -0.38 -1.28 117.35 118.73 3gnq s TYR 49 Ca -0.10 -0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 56.03 3gnq s TYR 49 Cb 0.14 -1.30 0.03 0.00 -0.40 0.00 0.00 41.96 40.43 3gnq s TYR 49 CO 0.84 -0.09 0.29 0.34 -1.57 0.00 0.00 175.55 175.36 3gnq s ASP 50 N -0.34 -0.26 -0.02 2.29 3.68 -1.10 -4.55 116.67 116.38 3gnq s ASP 50 Ca 0.04 0.43 -0.23 0.00 2.13 0.00 0.00 52.55 54.92 3gnq s ASP 50 Cb -0.10 0.52 -0.16 0.00 -1.45 0.00 0.00 42.92 41.73 3gnq s ASP 50 CO 0.01 -0.20 1.04 0.74 0.13 0.00 0.00 175.17 176.89 3gnq h THR 51 N 4.46 0.70 -0.43 1.71 2.02 -1.98 -0.55 112.91 118.85 3gnq h THR 51 Ca -0.27 -0.82 -0.14 0.00 0.77 0.00 0.00 66.41 65.95 3gnq h THR 51 Cb 1.19 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 3gnq h THR 51 CO 0.34 0.15 -0.28 0.00 0.37 0.00 0.00 175.52 176.10 3gnq h ALA 52 N -0.33 0.69 -0.02 6.16 0.00 -1.97 -3.26 119.26 120.54 3gnq h ALA 52 Ca -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gnq h ALA 52 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3gnq h ALA 52 CO 0.06 0.67 -0.42 0.72 0.00 0.00 0.00 179.25 180.28 3gnq n HIS 53 N -4.09 0.00 -3.24 0.00 8.25 -1.26 -4.93 115.22 109.96 3gnq n HIS 53 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3gnq n HIS 53 Cb 0.49 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 1.34 -2.08 3.72 -1.41 0.00 -0.21 -4.84 105.19 101.70 3gnq n GLY 54 Ca 0.09 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.22 4.59 -0.08 1.61 2.20 -1.26 -2.71 119.74 123.87 3gnq s LYS 55 Ca 0.00 1.51 -0.36 0.00 -0.36 0.00 0.00 55.97 56.76 3gnq s LYS 55 Cb 0.00 -3.40 -0.14 0.00 -1.51 0.00 0.00 37.83 32.78 3gnq s LYS 55 CO 0.00 0.01 1.75 0.34 -0.36 0.00 0.00 175.35 177.09 3gnq n PHE 56 N 3.43 2.18 0.70 4.03 7.35 -0.40 -4.85 117.46 129.90 3gnq n PHE 56 Ca 0.05 0.23 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 3gnq n PHE 56 Cb 0.49 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.76 3gnq n PHE 56 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3gnq n PRO 57 N 5.43 0.56 0.00 -7.13 -0.04 -1.26 -4.76 135.00 127.80 3gnq n PRO 57 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3gnq n PRO 57 Cb 0.24 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 3gnq n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gnq n GLY 58 N 0.18 6.57 3.49 0.55 0.00 -1.26 -5.15 105.19 109.57 3gnq n GLY 58 Ca 0.00 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 3gnq n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gnq s GLU 59 N 1.25 3.28 -0.02 1.61 2.12 -1.26 -5.01 118.70 120.67 3gnq s GLU 59 Ca 0.00 -0.58 0.03 0.00 0.36 0.00 0.00 54.97 54.78 3gnq s GLU 59 Cb 0.00 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.67 3gnq s GLU 59 CO 0.00 0.37 -0.09 0.08 -0.54 0.00 0.00 175.26 175.08 3gnq s VAL 60 N -0.02 0.80 0.22 3.70 1.01 -1.26 -2.02 120.40 122.83 3gnq s VAL 60 Ca -0.01 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 3gnq s VAL 60 Cb -0.14 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.57 3gnq s VAL 60 CO 0.03 0.25 0.61 -0.94 0.00 0.00 0.00 175.10 175.05 3gnq s SER 61 N 0.13 -0.31 -0.05 3.32 1.04 -0.58 -5.00 113.70 112.24 3gnq s SER 61 Ca -0.02 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 55.99 3gnq s SER 61 Cb -0.08 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 3gnq s SER 61 CO 0.00 -1.15 -0.15 -0.69 0.98 0.00 0.00 173.24 172.23 3gnq s VAL 62 N -3.87 3.01 -0.34 5.02 1.01 -1.26 -0.41 120.40 123.55 3gnq s VAL 62 Ca 0.09 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3gnq s VAL 62 Cb -0.03 -2.18 0.14 0.00 0.00 0.00 0.00 36.38 34.31 3gnq s VAL 62 CO -0.01 0.59 0.26 -0.62 0.00 0.00 0.00 175.10 175.32 3gnq s ASP 63 N -0.67 2.34 1.69 3.32 2.15 -0.16 -4.98 116.67 120.36 3gnq s ASP 63 Ca 0.10 -1.62 0.00 0.00 0.43 0.00 0.00 52.55 51.46 3gnq s ASP 63 Cb -0.11 0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.55 3gnq s ASP 63 CO 0.01 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 3gnq n GLY 64 N 4.52 3.05 1.10 2.66 0.00 -1.26 -1.92 105.19 113.35 3gnq n GLY 64 Ca 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 7.00 2.79 -3.84 1.61 10.43 -1.26 -4.87 116.55 128.41 3gnq n ASP 65 Ca 0.00 -2.28 -0.15 0.00 2.57 0.00 0.00 54.79 54.93 3gnq n ASP 65 Cb 0.00 -0.56 -0.15 0.00 1.84 0.00 0.00 41.12 42.25 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 -0.87 0.18 -0.10 1.24 1.51 -0.81 -1.41 117.35 117.10 3gnq s TYR 66 Ca 0.11 0.02 -0.14 0.00 -1.01 0.00 0.00 57.07 56.05 3gnq s TYR 66 Cb 0.09 -0.24 -0.05 0.00 -0.11 0.00 0.00 41.96 41.65 3gnq s TYR 66 CO 0.03 -0.07 0.33 -1.17 -1.11 0.00 0.00 175.55 173.56 3gnq s LEU 67 N 0.60 4.34 -0.15 -1.29 1.98 0.33 -0.98 118.68 123.50 3gnq s LEU 67 Ca -0.05 0.69 0.02 0.00 -2.89 0.00 0.00 54.13 51.89 3gnq s LEU 67 Cb -0.08 -2.44 0.01 0.00 0.66 0.00 0.00 46.19 44.33 3gnq s LEU 67 CO -0.01 0.20 -0.20 -0.69 -1.89 0.00 0.00 176.35 173.75 3gnq s VAL 68 N -0.19 2.19 -0.10 1.68 1.01 0.45 -0.07 120.40 125.37 3gnq s VAL 68 Ca 0.20 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3gnq s VAL 68 Cb -0.14 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.38 3gnq s VAL 68 CO 0.08 0.54 0.01 -0.69 0.00 0.00 0.00 175.10 175.04 3gnq s VAL 69 N 0.86 0.39 -1.51 2.92 1.01 -0.43 -1.52 120.40 122.11 3gnq s VAL 69 Ca -0.06 -0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 3gnq s VAL 69 Cb -0.15 -0.62 0.14 0.00 0.00 0.00 0.00 36.38 35.75 3gnq s VAL 69 CO -0.02 0.16 0.61 0.59 0.00 0.00 0.00 175.10 176.44 3gnq n ASN 70 N 5.13 -2.91 0.00 3.32 3.02 -0.86 -1.02 115.26 121.94 3gnq n ASN 70 Ca -0.07 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 3gnq n ASN 70 Cb 0.49 -2.43 0.00 0.00 -0.61 0.00 0.00 39.78 37.24 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 -1.19 3.09 3.75 7.41 0.00 -1.26 -5.04 105.19 111.96 3gnq n GLY 71 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 0.10 7.46 -0.21 1.61 1.01 -0.19 -5.02 116.67 121.41 3gnq s ASP 72 Ca 0.00 2.05 -0.06 0.00 0.71 0.00 0.00 52.55 55.25 3gnq s ASP 72 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 3gnq s ASP 72 CO 0.00 -0.02 0.04 -0.13 0.21 0.00 0.00 175.17 175.27 3gnq s ARG 73 N -0.98 3.70 -0.22 8.23 0.52 -1.26 -1.32 118.95 127.63 3gnq s ARG 73 Ca 0.44 -0.47 -0.00 0.00 -0.52 0.00 0.00 55.73 55.18 3gnq s ARG 73 Cb -0.28 -3.18 0.02 0.00 0.52 0.00 0.00 34.95 32.03 3gnq s ARG 73 CO 0.35 -0.00 -0.13 0.42 0.02 0.00 0.00 175.30 175.96 3gnq s ILE 74 N 1.08 2.47 0.21 1.52 1.01 0.89 -4.90 121.20 123.49 3gnq s ILE 74 Ca 0.03 -1.01 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 3gnq s ILE 74 Cb -0.14 -2.17 -0.10 0.00 0.01 0.00 0.00 42.46 40.05 3gnq s ILE 74 CO 0.02 0.35 1.46 -0.60 0.00 0.00 0.00 174.94 176.17 3gnq s ARG 75 N 1.30 4.26 -0.16 2.79 6.06 -1.14 -0.51 118.95 131.55 3gnq s ARG 75 Ca 0.02 2.29 -0.04 0.00 -2.50 0.00 0.00 55.73 55.50 3gnq s ARG 75 Cb -0.15 -3.14 -0.03 0.00 0.06 0.00 0.00 34.95 31.69 3gnq s ARG 75 CO -0.08 -0.46 -0.03 0.08 -2.50 0.00 0.00 175.30 172.31 3gnq s VAL 76 N 0.38 3.96 0.25 7.11 1.01 -0.50 -0.74 120.40 131.87 3gnq s VAL 76 Ca 0.62 -0.33 0.10 0.00 0.00 0.00 0.00 61.98 62.37 3gnq s VAL 76 Cb -0.42 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 3gnq s VAL 76 CO 0.39 0.49 -0.18 -0.76 0.00 0.00 0.00 175.10 175.04 3gnq s LEU 77 N 0.35 2.57 -0.44 3.92 1.43 0.25 -4.87 118.68 121.89 3gnq s LEU 77 Ca -0.04 -1.02 0.07 0.00 -1.03 0.00 0.00 54.13 52.11 3gnq s LEU 77 Cb -0.14 -0.94 0.23 0.00 0.03 0.00 0.00 46.19 45.37 3gnq s LEU 77 CO 0.03 -0.04 0.62 0.00 0.23 0.00 0.00 176.35 177.20 3gnq n ALA 78 N -0.49 0.90 -3.47 4.21 0.00 -1.26 -1.54 120.51 118.86 3gnq n ALA 78 Ca -0.06 -2.51 -0.23 0.00 0.00 0.00 0.00 53.44 50.64 3gnq n ALA 78 Cb 0.60 -1.03 -0.16 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.93 1.54 0.17 0.00 3.84 -1.26 -4.93 114.94 113.37 3gnq s ASN 79 Ca 0.33 -0.25 0.26 0.00 0.21 0.00 0.00 52.86 53.41 3gnq s ASN 79 Cb 0.15 -0.71 0.91 0.00 -0.55 0.00 0.00 41.25 41.05 3gnq s ASN 79 CO -0.16 0.02 1.79 -2.11 -2.79 0.00 0.00 177.10 173.84 3gnq n ARG 80 N 3.83 0.20 -3.72 0.43 1.85 -1.26 -4.59 116.66 113.40 3gnq n ARG 80 Ca -0.23 0.21 -0.38 0.00 -1.00 0.00 0.00 57.85 56.44 3gnq n ARG 80 Cb 0.52 -1.75 -0.11 0.00 -1.05 0.00 0.00 32.46 30.07 3gnq n ARG 80 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3gnq s ASN 81 N -4.16 5.37 0.00 2.89 2.47 -1.26 -5.00 114.94 115.26 3gnq s ASN 81 Ca 0.10 -1.71 0.21 0.00 0.42 0.00 0.00 52.86 51.89 3gnq s ASN 81 Cb 0.13 -1.88 1.00 0.00 -1.45 0.00 0.00 41.25 39.04 3gnq s ASN 81 CO 0.54 -0.51 1.69 -2.65 -3.72 0.00 0.00 177.10 172.46 3gnq n PRO 82 N 4.74 0.15 0.04 0.43 -0.02 -1.26 -1.85 135.00 137.23 3gnq n PRO 82 Ca -0.07 0.11 0.02 0.00 -2.02 0.00 0.00 63.50 61.54 3gnq n PRO 82 Cb 0.42 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.77 3gnq n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gnq h ALA 83 N 2.87 1.53 -0.03 3.55 0.00 -1.90 -3.05 119.26 122.23 3gnq h ALA 83 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gnq h ALA 83 Cb 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gnq h ALA 83 CO 0.00 0.35 0.00 0.39 0.00 0.00 0.00 179.25 179.99 3gnq n GLU 84 N -4.35 1.65 -2.52 0.00 1.02 -0.77 -3.47 120.64 112.20 3gnq n GLU 84 Ca 0.01 -0.95 -0.33 0.00 -0.02 0.00 0.00 57.16 55.88 3gnq n GLU 84 Cb 0.19 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 3gnq n GLU 84 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gnq s LEU 85 N -1.96 3.73 -0.18 -4.62 1.43 -1.15 -4.96 118.68 110.96 3gnq s LEU 85 Ca 0.38 1.64 -0.00 0.00 -1.03 0.00 0.00 54.13 55.12 3gnq s LEU 85 Cb 0.21 -4.52 0.14 0.00 0.03 0.00 0.00 46.19 42.04 3gnq s LEU 85 CO 0.33 -0.56 1.91 -0.81 0.23 0.00 0.00 176.35 177.45 3gnq n PRO 86 N -1.27 1.46 -0.29 1.29 -0.04 -1.26 -4.58 135.00 130.31 3gnq n PRO 86 Ca 0.07 -0.92 -0.04 0.00 -0.04 0.00 0.00 63.50 62.56 3gnq n PRO 86 Cb 0.54 -1.36 0.07 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.14 1.00 -0.74 0.54 -0.00 -1.82 0.96 115.95 117.05 3gnq h TRP 87 Ca 0.17 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 59.04 3gnq h TRP 87 Cb 1.03 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.16 29.82 3gnq h TRP 87 CO 0.56 0.65 0.31 0.78 -0.00 0.00 0.00 178.44 180.73 3gnq h GLY 88 N 1.07 1.17 1.22 1.49 0.00 -1.56 0.16 103.07 106.62 3gnq h GLY 88 Ca 0.29 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3gnq h GLY 88 CO -0.06 0.59 0.38 -2.09 0.00 0.00 0.00 176.54 175.36 3gnq h GLU 89 N 1.05 1.02 0.00 4.80 4.81 -1.62 -2.93 114.58 121.72 3gnq h GLU 89 Ca 0.25 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3gnq h GLU 89 Cb 0.19 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3gnq h GLU 89 CO -0.02 0.77 -0.22 1.28 -0.73 0.00 0.00 179.01 180.09 3gnq n LEU 90 N -4.35 0.32 -0.54 1.64 4.77 0.25 -4.94 117.00 114.15 3gnq n LEU 90 Ca 0.07 0.33 -0.06 0.00 -0.03 0.00 0.00 56.01 56.32 3gnq n LEU 90 Cb 0.11 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 3gnq n LEU 90 CO 0.38 0.01 -0.06 0.61 -1.33 0.00 0.00 177.39 177.00 3gnq n GLY 91 N 1.46 0.47 3.65 -0.72 0.00 0.45 -4.95 105.19 105.55 3gnq n GLY 91 Ca 0.06 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.25 3.67 0.06 1.61 1.01 -0.63 -4.65 120.40 119.22 3gnq s VAL 92 Ca 0.00 0.79 0.04 0.00 0.00 0.00 0.00 61.98 62.81 3gnq s VAL 92 Cb 0.00 -3.57 -0.24 0.00 0.00 0.00 0.00 36.38 32.58 3gnq s VAL 92 CO 0.00 -0.13 1.05 0.44 0.00 0.00 0.00 175.10 176.46 3gnq h ASP 93 N 9.87 0.15 -2.80 3.32 3.32 -1.13 -3.07 116.42 126.08 3gnq h ASP 93 Ca -0.37 -0.18 -0.28 0.00 0.02 0.00 0.00 57.03 56.22 3gnq h ASP 93 Cb 1.17 -0.05 -0.35 0.00 0.22 0.00 0.00 39.33 40.32 3gnq h ASP 93 CO 0.97 1.15 -0.60 -0.69 -1.72 0.00 0.00 179.24 178.35 3gnq s VAL 94 N -2.66 -0.34 -0.09 -1.35 1.01 -1.10 -1.39 120.40 114.49 3gnq s VAL 94 Ca -0.03 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 3gnq s VAL 94 Cb 0.08 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 3gnq s VAL 94 CO 0.84 0.01 0.79 -0.69 0.00 0.00 0.00 175.10 176.04 3gnq s VAL 95 N 2.35 4.97 -0.33 2.92 1.01 -0.12 -1.72 120.40 129.47 3gnq s VAL 95 Ca 0.04 1.60 -0.21 0.00 0.00 0.00 0.00 61.98 63.41 3gnq s VAL 95 Cb -0.13 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 3gnq s VAL 95 CO -0.09 0.17 0.67 -0.04 0.00 0.00 0.00 175.10 175.80 3gnq s MET 96 N 1.26 3.79 -0.48 2.72 -1.94 0.71 -0.79 119.30 124.57 3gnq s MET 96 Ca 0.40 0.22 -0.18 0.00 -1.71 0.00 0.00 55.69 54.42 3gnq s MET 96 Cb -0.18 -3.77 0.05 0.00 2.01 0.00 0.00 34.83 32.94 3gnq s MET 96 CO 0.18 -0.69 0.55 -2.00 -0.01 0.00 0.00 175.02 173.05 3gnq s GLU 97 N 2.75 3.10 -0.05 2.03 2.56 0.79 -1.20 118.70 128.67 3gnq s GLU 97 Ca 0.26 -0.93 0.08 0.00 0.00 0.00 0.00 54.97 54.38 3gnq s GLU 97 Cb -0.14 -4.08 0.12 0.00 2.00 0.00 0.00 34.13 32.03 3gnq s GLU 97 CO 0.14 -1.11 1.02 0.00 -0.56 0.00 0.00 175.26 174.74 3gnq h THR 99 N 0.97 0.83 0.00 0.00 1.35 -1.79 -3.44 112.91 110.83 3gnq h THR 99 Ca 0.00 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 3gnq h THR 99 Cb 0.85 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 3gnq h THR 99 CO 0.00 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 3gnq n GLY 100 N 1.43 3.07 1.81 5.82 0.00 -1.26 -4.93 105.19 111.13 3gnq n GLY 100 Ca -0.10 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 2.07 -2.69 1.61 3.01 -1.26 -4.26 117.46 115.94 3gnq n PHE 101 Ca 0.00 -1.03 -0.07 0.00 1.01 0.00 0.00 57.45 57.36 3gnq n PHE 101 Cb 0.00 -0.61 0.06 0.00 -0.01 0.00 0.00 39.48 38.92 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 -0.07 0.11 1.46 1.38 3.72 -1.26 -4.96 117.46 117.84 3gnq n PHE 102 Ca 0.34 -2.45 0.14 0.00 -0.05 0.00 0.00 57.45 55.43 3gnq n PHE 102 Cb 1.22 0.22 0.53 0.00 -0.94 0.00 0.00 39.48 40.52 3gnq n PHE 102 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3gnq n THR 103 N -0.32 0.00 -4.03 4.37 -2.24 -1.26 -3.95 114.28 106.85 3gnq n THR 103 Ca 0.05 -0.17 -0.28 0.00 -2.27 0.00 0.00 64.05 61.37 3gnq n THR 103 Cb 0.83 0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 3gnq n THR 103 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gnq s SER 104 N -2.20 5.76 0.21 3.42 1.04 -1.26 -1.55 113.70 119.12 3gnq s SER 104 Ca 0.34 0.02 -0.10 0.00 0.48 0.00 0.00 55.95 56.69 3gnq s SER 104 Cb 0.20 -1.60 0.21 0.00 0.10 0.00 0.00 66.02 64.94 3gnq s SER 104 CO 0.41 0.12 1.81 0.50 0.98 0.00 0.00 173.24 177.06 3gnq h LYS 105 N 2.79 0.68 -0.47 4.02 3.64 -1.89 0.40 116.57 125.75 3gnq h LYS 105 Ca -0.47 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 58.96 3gnq h LYS 105 Cb 1.18 -0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.77 3gnq h LYS 105 CO 0.67 0.45 -0.01 1.49 -2.27 0.00 0.00 179.45 179.78 3gnq h GLU 106 N 0.70 0.10 0.05 1.90 4.81 -1.95 0.11 114.58 120.30 3gnq h GLU 106 Ca 0.28 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3gnq h GLU 106 Cb 0.14 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3gnq h GLU 106 CO -0.16 0.07 -0.02 0.87 -0.73 0.00 0.00 179.01 179.03 3gnq h LYS 107 N 0.10 -0.06 -0.92 1.92 1.57 -1.79 -3.31 116.57 114.09 3gnq h LYS 107 Ca 0.23 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.18 3gnq h LYS 107 Cb 0.35 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.59 3gnq h LYS 107 CO -0.40 0.55 0.59 0.00 -0.57 0.00 0.00 179.45 179.62 3gnq h ALA 108 N 0.08 1.87 0.00 3.86 0.00 -0.14 -1.17 119.26 123.76 3gnq h ALA 108 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gnq h ALA 108 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3gnq h ALA 108 CO 0.01 -0.15 0.19 0.43 0.00 0.00 0.00 179.25 179.73 3gnq n SER 109 N -4.58 0.37 -0.18 0.00 7.64 0.37 -0.64 113.62 116.60 3gnq n SER 109 Ca 0.19 0.60 0.12 0.00 1.01 0.00 0.00 58.87 60.78 3gnq n SER 109 Cb 0.53 -0.59 0.43 0.00 -1.01 0.00 0.00 64.21 63.57 3gnq n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gnq h ALA 110 N 1.47 1.92 -0.47 -0.43 0.00 -1.39 -1.17 119.26 119.19 3gnq h ALA 110 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3gnq h ALA 110 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3gnq h ALA 110 CO 0.00 -0.09 -0.02 0.45 0.00 0.00 0.00 179.25 179.59 3gnq h HIS 111 N 0.57 0.84 -0.97 0.00 3.86 -1.08 -1.46 115.15 116.91 3gnq h HIS 111 Ca 0.36 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.45 3gnq h HIS 111 Cb 0.61 -0.23 -0.05 0.00 1.06 0.00 0.00 27.41 28.80 3gnq h HIS 111 CO -0.00 0.79 0.64 -0.07 0.86 0.00 0.00 177.93 180.15 3gnq h LEU 112 N 0.73 1.12 -0.66 2.43 4.07 -1.36 -2.04 115.31 119.61 3gnq h LEU 112 Ca 0.14 -0.03 -0.14 0.00 0.08 0.00 0.00 57.88 57.93 3gnq h LEU 112 Cb 0.47 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3gnq h LEU 112 CO 0.02 0.82 -0.50 0.50 -1.08 0.00 0.00 178.44 178.20 3gnq h LYS 113 N 1.32 0.43 0.00 1.13 1.63 -1.09 -2.32 116.57 117.68 3gnq h LYS 113 Ca 0.36 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3gnq h LYS 113 Cb -0.14 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 3gnq h LYS 113 CO -0.08 0.83 0.00 0.41 -3.45 0.00 0.00 179.45 177.17 3gnq n GLY 114 N 0.11 -1.12 0.00 5.01 0.00 -0.58 -4.90 105.19 103.71 3gnq n GLY 114 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3gnq n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gnq n GLY 115 N -0.17 1.64 3.77 -0.02 0.00 -0.86 -2.33 105.19 107.22 3gnq n GLY 115 Ca 0.02 0.00 -0.38 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 -1.95 3.02 0.00 4.61 0.00 -0.83 -3.78 121.76 122.82 3gnq s ALA 116 Ca 0.00 1.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 3gnq s ALA 116 Cb 0.00 -3.41 -0.27 0.00 0.00 0.00 0.00 23.12 19.43 3gnq s ALA 116 CO 0.00 -0.74 0.85 0.87 0.00 0.00 0.00 175.76 176.74 3gnq h LYS 117 N 2.14 0.24 -4.03 0.00 1.57 -1.60 -3.37 116.57 111.52 3gnq h LYS 117 Ca -0.49 -0.41 -0.11 0.00 -1.87 0.00 0.00 60.65 57.77 3gnq h LYS 117 Cb 1.25 0.15 -0.14 0.00 0.08 0.00 0.00 32.23 33.57 3gnq h LYS 117 CO 0.60 1.10 -0.50 0.15 -0.57 0.00 0.00 179.45 180.23 3gnq s LYS 118 N -2.62 0.81 -0.01 3.15 1.02 -0.49 -4.83 119.74 116.78 3gnq s LYS 118 Ca -0.09 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 54.78 3gnq s LYS 118 Cb 0.07 0.29 0.02 0.00 -0.52 0.00 0.00 37.83 37.69 3gnq s LYS 118 CO 0.85 -0.23 0.01 0.08 -0.92 0.00 0.00 175.35 175.14 3gnq s VAL 119 N -3.92 0.01 -0.15 3.17 1.01 0.35 -0.94 120.40 119.93 3gnq s VAL 119 Ca 0.09 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.18 3gnq s VAL 119 Cb 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.37 3gnq s VAL 119 CO -0.08 0.06 -0.19 -0.51 0.00 0.00 0.00 175.10 174.39 3gnq s ILE 120 N 0.59 1.88 -0.11 2.22 2.07 0.03 -1.72 121.20 126.17 3gnq s ILE 120 Ca -0.05 -0.84 -0.21 0.00 -1.41 0.00 0.00 60.65 58.14 3gnq s ILE 120 Cb -0.07 -1.70 -0.04 0.00 0.13 0.00 0.00 42.46 40.78 3gnq s ILE 120 CO -0.02 0.51 0.61 -0.63 -1.91 0.00 0.00 174.94 173.50 3gnq s ILE 121 N 1.18 5.09 -0.36 2.00 1.01 0.41 -0.15 121.20 130.39 3gnq s ILE 121 Ca 0.00 1.22 -0.04 0.00 0.00 0.00 0.00 60.65 61.84 3gnq s ILE 121 Cb -0.14 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.43 3gnq s ILE 121 CO -0.08 0.25 2.74 -1.54 0.00 0.00 0.00 174.94 176.31 3gnq n SER 122 N 3.95 6.28 -3.60 3.58 3.41 -0.74 -0.82 113.62 125.68 3gnq n SER 122 Ca -0.03 -3.06 -0.05 0.00 -0.26 0.00 0.00 58.87 55.47 3gnq n SER 122 Cb 0.51 -1.22 -0.03 0.00 -0.26 0.00 0.00 64.21 63.21 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 -1.32 -2.06 0.41 7.33 0.00 -1.18 -4.97 121.76 119.98 3gnq s ALA 123 Ca 0.54 1.66 -0.26 0.00 0.00 0.00 0.00 51.96 53.90 3gnq s ALA 123 Cb 0.34 -0.55 -0.10 0.00 0.00 0.00 0.00 23.12 22.81 3gnq s ALA 123 CO -0.15 -0.46 1.22 -2.30 0.00 0.00 0.00 175.76 174.07 3gnq n PRO 124 N 0.19 1.83 -3.76 0.00 -0.02 -1.08 -3.95 135.00 128.21 3gnq n PRO 124 Ca -0.02 0.65 -0.20 0.00 -2.02 0.00 0.00 63.50 61.91 3gnq n PRO 124 Cb 0.58 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.55 1.51 1.17 -1.23 0.00 -1.26 -4.95 107.32 102.00 3gnq s GLY 125 Ca 0.61 -1.43 -0.17 0.00 0.00 0.00 0.00 44.72 43.72 3gnq s GLY 125 CO 0.58 -1.40 0.39 0.61 0.00 0.00 0.00 173.10 173.29 3gnq n GLY 126 N -1.46 -2.62 0.34 0.20 0.00 -0.59 -4.91 105.19 96.14 3gnq n GLY 126 Ca -0.04 -1.01 0.06 0.00 0.00 0.00 0.00 46.02 45.03 3gnq n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gnq h LYS 127 N -2.56 0.64 0.00 1.61 6.56 -2.00 -3.16 116.57 117.66 3gnq h LYS 127 Ca -0.49 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.06 3gnq h LYS 127 Cb 1.25 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 3gnq h LYS 127 CO 0.35 0.43 0.00 -0.40 -2.06 0.00 0.00 179.45 177.77 3gnq n ASP 128 N -4.47 0.00 -4.81 0.86 5.75 -1.26 -4.89 116.55 107.73 3gnq n ASP 128 Ca 0.08 -1.58 -0.33 0.00 -0.01 0.00 0.00 54.79 52.95 3gnq n ASP 128 Cb 0.17 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 3gnq n ASP 128 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3gnq s VAL 129 N -2.00 4.19 0.36 2.12 -7.23 -1.20 -4.55 120.40 112.10 3gnq s VAL 129 Ca 0.10 1.35 0.15 0.00 -1.81 0.00 0.00 61.98 61.77 3gnq s VAL 129 Cb 0.05 -3.55 0.12 0.00 0.56 0.00 0.00 36.38 33.56 3gnq s VAL 129 CO 0.08 -0.30 1.86 0.44 -0.31 0.00 0.00 175.10 176.86 3gnq h ASP 130 N 1.76 0.00 -5.02 4.85 3.32 -1.55 -3.46 116.42 116.31 3gnq h ASP 130 Ca -0.49 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.76 3gnq h ASP 130 Cb 1.19 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.61 3gnq h ASP 130 CO 0.60 0.33 0.62 0.00 -1.72 0.00 0.00 179.24 179.07 3gnq s ALA 131 N -4.18 -1.90 -0.08 3.45 0.00 -1.26 -5.05 121.76 112.75 3gnq s ALA 131 Ca -0.03 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.73 3gnq s ALA 131 Cb 0.14 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.65 3gnq s ALA 131 CO 0.71 -0.86 -0.17 0.99 0.00 0.00 0.00 175.76 176.43 3gnq s THR 132 N -2.91 1.49 -0.04 0.00 2.01 -1.26 -0.85 115.64 114.08 3gnq s THR 132 Ca 0.10 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.45 3gnq s THR 132 Cb 0.00 -1.32 -0.00 0.00 0.01 0.00 0.00 72.50 71.19 3gnq s THR 132 CO -0.04 0.43 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.54 3gnq s ILE 133 N 0.52 1.36 -0.30 1.82 -1.09 -0.57 -4.71 121.20 118.23 3gnq s ILE 133 Ca -0.16 -0.67 -0.02 0.00 -2.23 0.00 0.00 60.65 57.57 3gnq s ILE 133 Cb -0.16 -1.18 0.05 0.00 -1.58 0.00 0.00 42.46 39.59 3gnq s ILE 133 CO 0.06 0.40 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.47 3gnq s VAL 134 N 0.10 3.00 0.28 2.92 1.01 -1.26 -4.00 120.40 122.45 3gnq s VAL 134 Ca -0.05 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.30 3gnq s VAL 134 Cb -0.12 -2.70 -0.10 0.00 0.00 0.00 0.00 36.38 33.46 3gnq s VAL 134 CO 0.02 -0.08 1.46 -0.47 0.00 0.00 0.00 175.10 176.04 3gnq s TYR 135 N 1.26 2.92 0.00 5.22 5.04 -1.26 -1.37 117.35 129.16 3gnq s TYR 135 Ca -0.05 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 3gnq s TYR 135 Cb -0.19 -3.88 0.00 0.00 0.35 0.00 0.00 41.96 38.24 3gnq s TYR 135 CO -0.01 -2.80 0.00 0.41 -1.34 0.00 0.00 175.55 171.81 3gnq n GLY 136 N 1.82 1.17 0.91 8.97 0.00 -1.26 -4.86 105.19 111.95 3gnq n GLY 136 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 1.10 -2.19 1.61 0.31 -0.47 -4.85 118.33 111.84 3gnq n VAL 137 Ca 0.00 0.30 0.04 0.00 -0.01 0.00 0.00 64.34 64.68 3gnq n VAL 137 Cb 0.00 -1.67 0.09 0.00 -0.91 0.00 0.00 33.84 31.35 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 -3.55 1.30 0.22 4.52 6.94 -0.96 -4.84 115.26 118.88 3gnq n ASN 138 Ca -0.03 -2.69 0.10 0.00 -0.02 0.00 0.00 54.58 51.94 3gnq n ASN 138 Cb 0.15 -0.38 0.45 0.00 -2.36 0.00 0.00 39.78 37.63 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 1.04 0.00 -0.57 -2.53 2.07 -1.91 -2.69 115.15 110.55 3gnq h HIS 139 Ca -0.14 0.00 0.16 0.00 -2.85 0.00 0.00 60.37 57.54 3gnq h HIS 139 Cb 1.57 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.53 3gnq h HIS 139 CO 0.40 0.24 0.69 -0.44 -3.07 0.00 0.00 177.93 175.74 3gnq h ASP 140 N 0.00 0.00 0.90 3.10 5.19 -1.96 -1.84 116.42 121.81 3gnq h ASP 140 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3gnq h ASP 140 Cb 0.76 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.27 3gnq h ASP 140 CO 0.03 0.00 0.00 1.33 -3.12 0.00 0.00 179.24 177.48 3gnq n VAL 141 N -3.48 0.60 -1.95 -1.35 0.24 -1.02 -4.84 118.33 106.55 3gnq n VAL 141 Ca 0.11 0.06 -0.41 0.00 -2.04 0.00 0.00 64.34 62.06 3gnq n VAL 141 Cb 0.90 -0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 32.43 3gnq n VAL 141 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gnq s LEU 142 N -3.69 4.37 0.07 1.34 1.43 -0.69 -5.02 118.68 116.49 3gnq s LEU 142 Ca 0.09 2.77 0.05 0.00 -1.03 0.00 0.00 54.13 56.00 3gnq s LEU 142 Cb 0.13 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 3gnq s LEU 142 CO 0.44 -0.75 -0.13 -0.54 0.23 0.00 0.00 176.35 175.60 3gnq s LYS 143 N -0.68 0.76 0.22 1.70 -0.14 -1.26 -4.49 119.74 115.85 3gnq s LYS 143 Ca 0.59 -0.92 -0.02 0.00 -1.36 0.00 0.00 55.97 54.26 3gnq s LYS 143 Cb -0.43 -0.71 0.46 0.00 -1.68 0.00 0.00 37.83 35.46 3gnq s LYS 143 CO 0.47 0.15 1.16 0.00 -0.76 0.00 0.00 175.35 176.37 3gnq n ALA 144 N 1.30 0.28 0.62 5.17 0.00 -1.21 -0.23 120.51 126.44 3gnq n ALA 144 Ca -0.21 0.80 0.09 0.00 0.00 0.00 0.00 53.44 54.12 3gnq n ALA 144 Cb 0.54 -0.54 0.40 0.00 0.00 0.00 0.00 19.45 19.85 3gnq n ALA 144 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3gnq n GLU 145 N -5.11 0.01 -2.57 0.00 0.28 -1.26 -4.74 120.64 107.25 3gnq n GLU 145 Ca 0.15 0.20 -0.42 0.00 -0.16 0.00 0.00 57.16 56.92 3gnq n GLU 145 Cb 0.47 -1.52 -0.03 0.00 1.43 0.00 0.00 31.44 31.79 3gnq n GLU 145 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3gnq s HIS 146 N -3.02 3.50 -0.01 -1.84 3.76 0.68 -4.92 115.29 113.44 3gnq s HIS 146 Ca 0.09 1.48 0.01 0.00 -0.15 0.00 0.00 55.06 56.49 3gnq s HIS 146 Cb 0.12 -3.28 -0.02 0.00 1.11 0.00 0.00 32.58 30.51 3gnq s HIS 146 CO 0.34 -0.67 0.01 0.25 -0.85 0.00 0.00 174.74 173.82 3gnq n THR 147 N 4.06 0.06 -3.84 1.30 -2.24 -1.26 -4.93 114.28 107.43 3gnq n THR 147 Ca 0.08 -0.05 -0.29 0.00 -2.27 0.00 0.00 64.05 61.52 3gnq n THR 147 Cb 0.48 -0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.04 1.05 0.33 2.28 1.01 -1.26 -0.50 120.40 121.27 3gnq s VAL 148 Ca -0.01 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.13 3gnq s VAL 148 Cb 0.00 -1.43 -0.07 0.00 0.00 0.00 0.00 36.38 34.88 3gnq s VAL 148 CO 0.05 -0.16 -0.03 0.27 0.00 0.00 0.00 175.10 175.23 3gnq s ILE 149 N 1.62 1.81 0.06 2.22 -4.36 -0.70 -1.34 121.20 120.51 3gnq s ILE 149 Ca -0.03 -2.10 0.04 0.00 -0.26 0.00 0.00 60.65 58.30 3gnq s ILE 149 Cb -0.18 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 40.80 3gnq s ILE 149 CO -0.07 -0.15 -0.01 -0.55 0.24 0.00 0.00 174.94 174.39 3gnq s SER 150 N -3.56 4.98 -0.04 4.36 0.15 -0.03 -0.45 113.70 119.12 3gnq s SER 150 Ca 0.33 -0.14 0.21 0.00 0.70 0.00 0.00 55.95 57.04 3gnq s SER 150 Cb 0.06 -1.20 0.66 0.00 -1.71 0.00 0.00 66.02 63.83 3gnq s SER 150 CO 0.15 0.21 1.56 -3.20 1.20 0.00 0.00 173.24 173.16 3gnq n ASN 151 N 0.86 4.16 0.00 5.45 5.15 -0.00 -1.51 115.26 129.37 3gnq n ASN 151 Ca -0.12 -2.15 0.00 0.00 -0.60 0.00 0.00 54.58 51.71 3gnq n ASN 151 Cb 0.52 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 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 1.44 0.00 -2.30 5.20 0.00 -1.25 -4.70 120.51 118.90 3gnq n ALA 152 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 3gnq n ALA 152 Cb 0.70 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.05 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 1.62 0.29 0.00 1.04 -1.26 -2.62 113.70 108.77 3gnq s SER 153 Ca 0.00 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.22 3gnq s SER 153 Cb 0.00 0.05 0.46 0.00 0.10 0.00 0.00 66.02 66.62 3gnq s SER 153 CO 0.00 -0.52 1.92 0.00 0.98 0.00 0.00 173.24 175.61 3gnq h THR 155 N 1.12 1.36 -0.96 0.00 2.02 -1.95 -2.10 112.91 112.40 3gnq h THR 155 Ca 0.38 -1.28 0.07 0.00 0.77 0.00 0.00 66.41 66.35 3gnq h THR 155 Cb 0.09 1.96 -0.07 0.00 -1.74 0.00 0.00 68.15 68.40 3gnq h THR 155 CO -0.13 0.37 0.61 0.74 0.37 0.00 0.00 175.52 177.47 3gnq h THR 156 N -0.13 1.05 0.00 3.16 2.02 -1.68 0.29 112.91 117.62 3gnq h THR 156 Ca 0.02 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 3gnq h THR 156 Cb 0.64 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3gnq h THR 156 CO 0.03 0.20 -0.21 0.78 0.37 0.00 0.00 175.52 176.69 3gnq h ASN 157 N 1.09 0.00 0.01 4.18 4.21 -0.96 -1.51 115.58 122.59 3gnq h ASN 157 Ca 0.42 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.80 3gnq h ASN 157 Cb 0.21 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.42 3gnq h ASN 157 CO -0.19 0.21 -0.54 0.00 -1.29 0.00 0.00 177.43 175.63 3gnq h LEU 159 N -0.22 0.93 -0.46 0.00 5.85 -0.57 -3.21 115.31 117.64 3gnq h LEU 159 Ca -0.07 -0.61 -0.04 0.00 0.84 0.00 0.00 57.88 57.99 3gnq h LEU 159 Cb 1.27 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3gnq h LEU 159 CO 0.11 1.41 0.12 0.00 -0.34 0.00 0.00 178.44 179.73 3gnq h ALA 160 N 0.57 0.60 0.00 1.25 0.00 -1.51 -0.98 119.26 119.19 3gnq h ALA 160 Ca -0.05 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3gnq h ALA 160 Cb 1.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3gnq h ALA 160 CO 0.16 0.28 -0.31 -1.35 0.00 0.00 0.00 179.25 178.03 3gnq h PRO 161 N 0.61 0.00 0.04 0.00 0.11 -1.78 -1.58 132.00 129.40 3gnq h PRO 161 Ca 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3gnq h PRO 161 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3gnq h PRO 161 CO 0.00 0.31 -0.02 1.25 -0.21 0.00 0.00 178.00 179.34 3gnq h LEU 162 N 0.00 -0.05 0.00 2.35 5.85 -1.43 -3.35 115.31 118.68 3gnq h LEU 162 Ca -0.00 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3gnq h LEU 162 Cb 0.75 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3gnq h LEU 162 CO 0.04 0.39 -0.35 1.62 -0.34 0.00 0.00 178.44 179.80 3gnq h VAL 163 N -0.49 0.00 0.43 1.05 3.04 -1.11 -3.39 116.25 115.77 3gnq h VAL 163 Ca -0.01 -0.93 -0.02 0.00 -1.01 0.00 0.00 66.70 64.74 3gnq h VAL 163 Cb 0.45 1.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 3gnq h VAL 163 CO 0.01 0.00 -0.20 0.50 -1.01 0.00 0.00 177.57 176.86 3gnq h LYS 164 N 0.00 -0.55 -0.98 4.17 3.64 -1.41 -0.57 116.57 120.86 3gnq h LYS 164 Ca 0.00 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.57 3gnq h LYS 164 Cb 0.96 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.82 3gnq h LYS 164 CO 0.00 -0.27 0.62 -1.35 -2.27 0.00 0.00 179.45 176.17 3gnq h PRO 165 N -0.77 0.83 -0.22 1.90 0.11 -1.76 -0.89 132.00 131.19 3gnq h PRO 165 Ca -0.06 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.87 3gnq h PRO 165 Cb 0.53 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 3gnq h PRO 165 CO 0.10 0.55 -0.37 -0.07 -0.21 0.00 0.00 178.00 177.99 3gnq h LEU 166 N 0.86 0.72 -0.49 2.35 3.38 -1.66 -1.40 115.31 119.05 3gnq h LEU 166 Ca 0.51 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3gnq h LEU 166 Cb 0.68 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3gnq h LEU 166 CO -0.29 1.11 0.13 -1.13 0.09 0.00 0.00 178.44 178.35 3gnq h ASN 167 N 0.35 0.74 -0.77 -0.43 -1.24 -0.90 0.27 115.58 113.60 3gnq h ASN 167 Ca 0.02 -0.23 0.04 0.00 0.71 0.00 0.00 56.30 56.84 3gnq h ASN 167 Cb 0.97 -0.20 -0.05 0.00 0.73 0.00 0.00 38.32 39.77 3gnq h ASN 167 CO 0.08 0.77 0.48 0.44 -1.29 0.00 0.00 177.43 177.92 3gnq h ASP 168 N 0.68 0.77 0.00 1.15 3.32 -0.99 -2.33 116.42 119.01 3gnq h ASP 168 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3gnq h ASP 168 Cb 0.32 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3gnq h ASP 168 CO -0.00 0.52 -1.18 0.29 -1.72 0.00 0.00 179.24 177.15 3gnq n LYS 169 N -4.65 1.41 0.00 3.56 4.76 -0.54 -4.76 118.16 117.93 3gnq n LYS 169 Ca 0.10 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3gnq n LYS 169 Cb 0.12 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 3gnq n LYS 169 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3gnq n ILE 170 N -1.68 0.00 0.00 -0.18 5.41 0.83 -5.06 119.36 118.68 3gnq n ILE 170 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3gnq n ILE 170 Cb 0.28 -1.33 0.00 0.00 -0.71 0.00 0.00 39.64 37.88 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 2.88 1.71 3.17 7.39 0.00 -0.40 -4.15 105.19 115.78 3gnq n GLY 171 Ca 0.00 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.01 2.07 -0.10 0.99 0.20 -1.26 -0.18 118.68 120.39 3gnq s LEU 172 Ca 0.00 -0.58 -0.02 0.00 0.69 0.00 0.00 54.13 54.22 3gnq s LEU 172 Cb 0.00 -1.40 -0.01 0.00 -0.43 0.00 0.00 46.19 44.35 3gnq s LEU 172 CO 0.00 0.09 -0.04 -0.08 -0.29 0.00 0.00 176.35 176.03 3gnq h GLU 173 N 7.20 0.00 -4.20 1.98 4.57 -1.27 -3.47 114.58 119.39 3gnq h GLU 173 Ca -0.30 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.74 3gnq h GLU 173 Cb 1.20 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.65 3gnq h GLU 173 CO 0.53 0.00 -0.53 0.95 -1.18 0.00 0.00 179.01 178.78 3gnq s THR 174 N -1.65 0.10 -0.06 0.32 -4.23 -1.26 -4.87 115.64 103.98 3gnq s THR 174 Ca -0.03 -1.70 -0.14 0.00 -1.18 0.00 0.00 61.69 58.64 3gnq s THR 174 Cb 0.00 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 71.97 3gnq s THR 174 CO 0.05 -0.45 0.34 -0.83 -0.54 0.00 0.00 174.62 173.19 3gnq s GLY 175 N -3.00 -0.21 -0.04 3.99 0.00 -0.23 -2.10 107.32 105.72 3gnq s GLY 175 Ca 0.20 0.63 0.01 0.00 0.00 0.00 0.00 44.72 45.56 3gnq s GLY 175 CO -0.00 0.45 -0.05 1.08 0.00 0.00 0.00 173.10 174.57 3gnq s LEU 176 N -0.72 1.39 -0.05 0.66 1.43 0.20 -2.44 118.68 119.16 3gnq s LEU 176 Ca -0.08 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3gnq s LEU 176 Cb -0.04 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.67 3gnq s LEU 176 CO 0.03 -0.04 -0.10 -0.32 0.23 0.00 0.00 176.35 176.15 3gnq s MET 177 N 0.83 2.62 -0.12 1.70 -2.45 -0.11 -0.88 119.30 120.90 3gnq s MET 177 Ca -0.12 -0.64 0.00 0.00 -1.25 0.00 0.00 55.69 53.69 3gnq s MET 177 Cb -0.14 -2.50 -0.02 0.00 1.25 0.00 0.00 34.83 33.42 3gnq s MET 177 CO 0.01 0.64 -0.12 0.99 1.05 0.00 0.00 175.02 177.58 3gnq s THR 178 N -0.82 3.17 -0.24 10.11 2.01 -0.46 -1.88 115.64 127.53 3gnq s THR 178 Ca 0.13 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.45 3gnq s THR 178 Cb -0.11 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 3gnq s THR 178 CO 0.02 0.54 -0.00 0.28 -0.69 0.00 0.00 174.62 174.77 3gnq s THR 179 N 0.13 3.67 -0.44 -0.82 -1.32 -0.08 -0.80 115.64 115.97 3gnq s THR 179 Ca -0.06 -0.44 -0.22 0.00 -1.21 0.00 0.00 61.69 59.77 3gnq s THR 179 Cb -0.15 -2.71 0.02 0.00 -1.51 0.00 0.00 72.50 68.16 3gnq s THR 179 CO 0.04 0.36 0.72 -0.63 -2.21 0.00 0.00 174.62 172.90 3gnq s ILE 180 N 1.51 4.74 -0.04 5.08 1.01 0.15 -1.13 121.20 132.53 3gnq s ILE 180 Ca 0.06 0.30 0.06 0.00 0.00 0.00 0.00 60.65 61.07 3gnq s ILE 180 Cb -0.15 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.05 3gnq s ILE 180 CO -0.01 -0.64 -0.21 -2.28 0.00 0.00 0.00 174.94 171.80 3gnq s HIS 181 N 3.05 1.97 0.70 3.97 2.46 -0.17 -0.77 115.29 126.50 3gnq s HIS 181 Ca 0.26 -0.50 -0.16 0.00 0.47 0.00 0.00 55.06 55.13 3gnq s HIS 181 Cb -0.13 -1.29 -0.02 0.00 -0.13 0.00 0.00 32.58 31.00 3gnq s HIS 181 CO 0.21 -0.13 0.78 0.00 -2.47 0.00 0.00 174.74 173.13 3gnq n ALA 182 N 2.86 -0.72 -1.49 1.58 0.00 -1.20 -0.66 120.51 120.88 3gnq n ALA 182 Ca -0.17 -0.18 -0.30 0.00 0.00 0.00 0.00 53.44 52.79 3gnq n ALA 182 Cb 0.53 -2.00 0.09 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.82 2.82 0.27 0.00 -0.85 -0.84 -4.72 117.35 112.21 3gnq s TYR 183 Ca 0.70 1.28 0.02 0.00 -0.52 0.00 0.00 57.07 58.55 3gnq s TYR 183 Cb -0.36 -3.05 -0.04 0.00 0.38 0.00 0.00 41.96 38.88 3gnq s TYR 183 CO 0.53 -1.70 0.12 0.95 -1.52 0.00 0.00 175.55 173.93 3gnq s THR 184 N -3.07 0.42 -1.07 -3.49 -4.23 -1.26 -4.75 115.64 98.19 3gnq s THR 184 Ca 0.60 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.32 3gnq s THR 184 Cb -0.15 -2.58 0.20 0.00 1.34 0.00 0.00 72.50 71.31 3gnq s THR 184 CO 0.55 0.00 1.66 0.59 -0.54 0.00 0.00 174.62 176.88 3gnq n ASN 185 N -0.62 0.00 0.00 3.99 3.02 -1.26 -1.25 115.26 119.14 3gnq n ASN 185 Ca 0.01 0.42 0.09 0.00 -0.03 0.00 0.00 54.58 55.07 3gnq n ASN 185 Cb 0.66 -0.47 0.45 0.00 -0.61 0.00 0.00 39.78 39.81 3gnq n ASN 185 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3gnq n ASP 186 N -1.47 0.00 -2.73 6.41 2.03 -1.26 -4.80 116.55 114.73 3gnq n ASP 186 Ca 0.06 0.21 -0.06 0.00 0.52 0.00 0.00 54.79 55.52 3gnq n ASP 186 Cb 0.23 -0.37 0.03 0.00 -0.72 0.00 0.00 41.12 40.28 3gnq n ASP 186 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gnq n GLN 187 N -1.37 0.65 -4.29 -0.67 6.02 -0.38 -5.00 117.38 112.33 3gnq n GLN 187 Ca 0.07 -0.78 -0.20 0.00 -0.01 0.00 0.00 57.00 56.08 3gnq n GLN 187 Cb 0.18 -0.12 -0.11 0.00 1.02 0.00 0.00 30.24 31.20 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 -0.33 1.59 -0.12 5.09 -7.23 -1.25 -5.02 120.40 113.13 3gnq s VAL 188 Ca 0.17 -1.83 -0.23 0.00 -1.81 0.00 0.00 61.98 58.28 3gnq s VAL 188 Cb -0.01 -1.70 -0.21 0.00 0.56 0.00 0.00 36.38 35.02 3gnq s VAL 188 CO 0.11 -0.37 0.68 -0.07 -0.31 0.00 0.00 175.10 175.14 3gnq h LEU 189 N 3.37 -0.01 -8.00 1.32 3.38 -1.95 -0.81 115.31 112.60 3gnq h LEU 189 Ca -0.41 -0.76 -0.33 0.00 0.09 0.00 0.00 57.88 56.47 3gnq h LEU 189 Cb 1.20 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.69 3gnq h LEU 189 CO 0.51 0.85 -0.76 0.28 0.09 0.00 0.00 178.44 179.41 3gnq s THR 190 N -2.31 0.52 -0.38 0.22 -1.32 -1.26 -4.33 115.64 106.78 3gnq s THR 190 Ca -0.15 -0.46 -0.44 0.00 -1.21 0.00 0.00 61.69 59.42 3gnq s THR 190 Cb -0.02 -0.47 -0.19 0.00 -1.51 0.00 0.00 72.50 70.30 3gnq s THR 190 CO 0.56 0.02 1.45 0.47 -2.21 0.00 0.00 174.62 174.91 3gnq n ASP 191 N 2.58 0.93 -3.55 8.08 9.92 -1.26 -4.80 116.55 128.44 3gnq n ASP 191 Ca -0.15 1.15 -0.11 0.00 -0.53 0.00 0.00 54.79 55.15 3gnq n ASP 191 Cb 0.57 -0.86 -0.02 0.00 -0.64 0.00 0.00 41.12 40.17 3gnq n ASP 191 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3gnq s VAL 192 N 2.30 0.00 0.08 2.53 0.11 -0.39 -5.01 120.40 120.02 3gnq s VAL 192 Ca 0.99 -0.29 -0.37 0.00 -2.93 0.00 0.00 61.98 59.39 3gnq s VAL 192 Cb -1.41 -1.29 -0.17 0.00 -1.53 0.00 0.00 36.38 31.98 3gnq s VAL 192 CO 0.75 0.00 1.20 0.00 -3.33 0.00 0.00 175.10 173.72 3gnq n TYR 193 N -0.40 1.16 -3.79 1.54 9.36 -1.26 -4.45 117.16 119.31 3gnq n TYR 193 Ca -0.13 0.78 -0.13 0.00 3.32 0.00 0.00 57.90 61.74 3gnq n TYR 193 Cb 0.63 -2.24 -0.09 0.00 -0.63 0.00 0.00 39.34 37.01 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 0.18 -0.13 0.49 2.98 2.46 -1.26 -4.91 115.29 115.10 3gnq s HIS 194 Ca 0.84 0.19 0.18 0.00 0.47 0.00 0.00 55.06 56.74 3gnq s HIS 194 Cb -1.03 0.06 1.24 0.00 -0.13 0.00 0.00 32.58 32.73 3gnq s HIS 194 CO 0.51 -0.36 2.08 1.05 -2.47 0.00 0.00 174.74 175.56 3gnq h GLU 195 N 4.04 0.00 -5.11 2.88 4.11 -1.97 -3.38 114.58 115.14 3gnq h GLU 195 Ca -0.30 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.52 3gnq h GLU 195 Cb 1.18 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 3gnq h GLU 195 CO 0.40 0.09 -0.50 0.34 0.07 0.00 0.00 179.01 179.41 3gnq s ASP 196 N -6.83 6.12 0.38 3.06 -1.08 -1.26 -5.02 116.67 112.04 3gnq s ASP 196 Ca -0.04 0.13 0.28 0.00 -0.52 0.00 0.00 52.55 52.39 3gnq s ASP 196 Cb 0.16 -2.10 1.24 0.00 -1.46 0.00 0.00 42.92 40.76 3gnq s ASP 196 CO 0.66 0.08 1.83 -0.07 0.52 0.00 0.00 175.17 178.19 3gnq h LEU 197 N 7.39 0.00 0.12 -1.34 3.38 -2.00 -2.18 115.31 120.68 3gnq h LEU 197 Ca -0.38 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.24 3gnq h LEU 197 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3gnq h LEU 197 CO 0.67 0.00 -1.83 0.03 0.09 0.00 0.00 178.44 177.40 3gnq h ARG 198 N 0.00 0.26 0.00 1.13 3.08 -1.94 -3.32 114.38 113.60 3gnq h ARG 198 Ca 0.00 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3gnq h ARG 198 Cb 0.31 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3gnq h ARG 198 CO 0.00 1.14 0.00 0.54 -1.07 0.00 0.00 179.97 180.58 3gnq n ARG 199 N -3.45 0.15 0.00 0.04 1.74 -1.08 -2.00 116.66 112.06 3gnq n ARG 199 Ca -0.26 0.32 0.08 0.00 -0.77 0.00 0.00 57.85 57.22 3gnq n ARG 199 Cb 1.06 -1.76 0.47 0.00 -1.02 0.00 0.00 32.46 31.21 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 -1.70 2.13 -2.64 7.54 0.00 -0.84 -3.86 120.51 121.13 3gnq n ALA 200 Ca 0.03 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 3gnq n ALA 200 Cb 0.26 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.00 2.38 -0.17 0.00 1.81 -0.85 -1.26 118.95 118.85 3gnq s ARG 201 Ca 0.24 -0.94 -0.36 0.00 -1.72 0.00 0.00 55.73 52.95 3gnq s ARG 201 Cb 0.11 -2.43 -0.13 0.00 -0.45 0.00 0.00 34.95 32.04 3gnq s ARG 201 CO 0.18 0.52 1.86 0.45 -0.68 0.00 0.00 175.30 177.63 3gnq n SER 202 N 0.54 3.03 0.28 0.23 2.88 -1.26 -4.49 113.62 114.82 3gnq n SER 202 Ca -0.12 0.97 0.17 0.00 -1.33 0.00 0.00 58.87 58.56 3gnq n SER 202 Cb 0.52 -1.29 0.76 0.00 -0.75 0.00 0.00 64.21 63.45 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 8.79 1.03 -0.00 -1.46 0.00 -1.33 -3.20 119.26 123.09 3gnq h ALA 203 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gnq h ALA 203 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3gnq h ALA 203 CO 0.96 0.05 -0.37 0.25 0.00 0.00 0.00 179.25 180.13 3gnq n THR 204 N -3.18 0.00 -0.26 0.00 -2.24 -1.26 -3.93 114.28 103.40 3gnq n THR 204 Ca -0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3gnq n THR 204 Cb 0.27 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.40 0.00 -3.87 4.78 -0.00 -1.21 -4.81 115.22 108.71 3gnq n HIS 205 Ca 0.07 -0.17 -0.10 0.00 -0.00 0.00 0.00 57.72 57.52 3gnq n HIS 205 Cb 0.33 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.99 30.22 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 -0.34 0.09 -0.15 0.41 0.01 -1.23 -5.08 113.70 107.41 3gnq s SER 206 Ca 0.00 -0.49 -0.25 0.00 1.31 0.00 0.00 55.95 56.52 3gnq s SER 206 Cb 0.00 0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 3gnq s SER 206 CO 0.00 -0.59 0.82 -1.10 0.41 0.00 0.00 173.24 172.77 3gnq s GLN 207 N -2.95 4.33 -0.28 12.44 -0.21 -1.26 -4.27 119.66 127.45 3gnq s GLN 207 Ca -0.02 1.01 0.01 0.00 0.02 0.00 0.00 55.36 56.38 3gnq s GLN 207 Cb 0.01 -3.55 0.08 0.00 1.00 0.00 0.00 33.01 30.55 3gnq s GLN 207 CO -0.06 -0.26 0.01 0.42 -2.12 0.00 0.00 175.29 173.28 3gnq s ILE 208 N 1.92 1.59 0.26 1.08 1.01 -0.01 -4.94 121.20 122.12 3gnq s ILE 208 Ca 0.39 -1.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.16 3gnq s ILE 208 Cb -0.17 -2.02 -0.09 0.00 0.01 0.00 0.00 42.46 40.19 3gnq s ILE 208 CO 0.14 -0.37 1.24 -2.84 0.00 0.00 0.00 174.94 173.10 3gnq s PRO 209 N 1.31 4.46 0.01 2.79 0.02 -1.26 -0.38 135.00 141.94 3gnq s PRO 209 Ca 0.02 2.01 -0.10 0.00 0.02 0.00 0.00 61.00 62.96 3gnq s PRO 209 Cb -0.19 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.18 3gnq s PRO 209 CO -0.11 -0.09 0.19 -0.08 -0.33 0.00 0.00 177.00 176.58 3gnq s THR 210 N -0.64 0.08 0.35 0.99 -1.32 0.72 -4.84 115.64 110.98 3gnq s THR 210 Ca 0.50 -0.70 -0.27 0.00 -1.21 0.00 0.00 61.69 60.02 3gnq s THR 210 Cb -0.36 -0.59 -0.09 0.00 -1.51 0.00 0.00 72.50 69.95 3gnq s THR 210 CO 0.43 -0.38 1.08 -0.54 -2.21 0.00 0.00 174.62 173.00 3gnq s LYS 211 N -1.66 4.36 0.00 7.08 1.02 -1.26 -0.22 119.74 129.06 3gnq s LYS 211 Ca -0.12 1.68 0.00 0.00 0.02 0.00 0.00 55.97 57.55 3gnq s LYS 211 Cb -0.05 -2.85 -0.00 0.00 -0.52 0.00 0.00 37.83 34.41 3gnq s LYS 211 CO 0.01 -0.00 -0.02 -0.08 -0.92 0.00 0.00 175.35 174.34 3gnq s THR 212 N -1.41 0.10 -1.76 2.17 -1.32 -1.26 -4.79 115.64 107.37 3gnq s THR 212 Ca 0.52 -0.19 0.11 0.00 -1.21 0.00 0.00 61.69 60.91 3gnq s THR 212 Cb -0.27 -0.12 0.35 0.00 -1.51 0.00 0.00 72.50 70.95 3gnq s THR 212 CO 0.35 -0.06 1.26 0.61 -2.21 0.00 0.00 174.62 174.57 3gnq n GLY 213 N 2.81 1.04 0.22 6.08 0.00 -1.26 -4.57 105.19 109.51 3gnq n GLY 213 Ca -0.14 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 3.59 1.04 0.04 4.61 0.00 -1.96 -1.16 119.26 125.42 3gnq h ALA 214 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gnq h ALA 214 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3gnq h ALA 214 CO 0.04 0.31 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 3gnq h ALA 215 N 1.75 -0.05 -0.52 0.00 0.00 -1.88 -3.29 119.26 115.27 3gnq h ALA 215 Ca -0.00 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.66 3gnq h ALA 215 Cb 0.74 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3gnq h ALA 215 CO 0.03 -0.10 0.35 0.00 0.00 0.00 0.00 179.25 179.53 3gnq h ALA 216 N -0.16 2.02 0.00 0.00 0.00 -1.50 -2.45 119.26 117.16 3gnq h ALA 216 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gnq h ALA 216 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3gnq h ALA 216 CO 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.13 3gnq n ALA 217 N -2.53 1.51 0.29 0.00 0.00 -0.44 -2.35 120.51 116.99 3gnq n ALA 217 Ca 0.08 0.09 0.16 0.00 0.00 0.00 0.00 53.44 53.77 3gnq n ALA 217 Cb 0.33 -1.34 0.88 0.00 0.00 0.00 0.00 19.45 19.31 3gnq n ALA 217 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gnq h VAL 218 N 0.00 0.40 -0.04 0.00 2.07 -1.52 -1.25 116.25 115.91 3gnq h VAL 218 Ca 0.00 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.26 3gnq h VAL 218 Cb 0.27 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3gnq h VAL 218 CO 0.00 0.05 0.03 1.23 0.02 0.00 0.00 177.57 178.90 3gnq h GLY 219 N 0.52 0.00 1.88 2.17 0.00 -1.68 -0.94 103.07 105.03 3gnq h GLY 219 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3gnq h GLY 219 CO 0.01 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.89 3gnq h LEU 220 N 0.00 0.14 0.00 3.11 3.38 -1.44 -3.11 115.31 117.39 3gnq h LEU 220 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gnq h LEU 220 Cb 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3gnq h LEU 220 CO -0.00 0.24 -0.68 1.33 0.09 0.00 0.00 178.44 179.42 3gnq n VAL 221 N -4.37 0.00 -3.32 1.22 0.24 -1.00 -4.71 118.33 106.39 3gnq n VAL 221 Ca -0.01 -0.28 -0.26 0.00 -2.04 0.00 0.00 64.34 61.76 3gnq n VAL 221 Cb 0.19 0.77 -0.08 0.00 -1.47 0.00 0.00 33.84 33.25 3gnq n VAL 221 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3gnq n LEU 222 N -1.37 0.43 -0.05 1.34 4.77 -0.39 -4.60 117.00 117.13 3gnq n LEU 222 Ca 0.00 -4.68 0.25 0.00 -0.03 0.00 0.00 56.01 51.55 3gnq n LEU 222 Cb 0.14 0.41 0.71 0.00 -2.33 0.00 0.00 43.42 42.35 3gnq n LEU 222 CO 0.15 1.98 1.22 -0.65 -1.33 0.00 0.00 177.39 178.76 3gnq h PRO 223 N 4.65 0.00 0.00 3.23 0.11 -1.79 0.56 132.00 138.75 3gnq h PRO 223 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3gnq h PRO 223 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3gnq h PRO 223 CO 0.48 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.32 3gnq h GLU 224 N 0.00 0.00 -0.38 1.05 9.09 -1.94 -1.77 114.58 120.63 3gnq h GLU 224 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.73 3gnq h GLU 224 Cb 1.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.67 3gnq h GLU 224 CO -0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 3gnq n LEU 225 N -2.66 3.06 -4.69 3.06 4.77 0.19 -4.96 117.00 115.77 3gnq n LEU 225 Ca -0.02 -1.77 -0.44 0.00 -0.03 0.00 0.00 56.01 53.75 3gnq n LEU 225 Cb 0.08 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 3gnq n LEU 225 CO 0.16 0.73 1.21 -3.20 -1.33 0.00 0.00 177.39 174.96 3gnq n ASN 226 N 0.91 3.36 0.00 -1.43 5.15 -0.67 -1.03 115.26 121.54 3gnq n ASN 226 Ca 0.15 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.22 3gnq n ASN 226 Cb 0.47 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 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 3.18 0.67 0.02 8.20 0.00 -1.26 -4.87 105.19 111.13 3gnq n GLY 227 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.00 0.09 -4.41 1.61 5.02 -0.20 -4.93 118.16 113.34 3gnq n LYS 228 Ca 0.00 0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 3gnq n LYS 228 Cb 0.00 -1.54 -0.14 0.00 -0.02 0.00 0.00 35.03 33.33 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 -3.35 2.12 0.30 -0.35 1.43 -1.26 -1.06 118.68 116.51 3gnq s LEU 229 Ca 0.09 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 3gnq s LEU 229 Cb 0.16 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.79 3gnq s LEU 229 CO 0.73 0.07 0.52 -0.62 0.23 0.00 0.00 176.35 177.28 3gnq s ASP 230 N -0.82 0.31 0.00 2.29 2.15 -1.02 -2.72 116.67 116.86 3gnq s ASP 230 Ca 0.02 -1.18 0.00 0.00 0.43 0.00 0.00 52.55 51.83 3gnq s ASP 230 Cb -0.07 0.65 0.00 0.00 -0.30 0.00 0.00 42.92 43.20 3gnq s ASP 230 CO 0.01 -1.27 0.00 0.61 -0.17 0.00 0.00 175.17 174.34 3gnq n GLY 231 N -0.47 -1.35 3.73 2.66 0.00 -1.26 -0.94 105.19 107.56 3gnq n GLY 231 Ca -0.02 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 3gnq n GLY 231 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gnq s TYR 232 N -3.00 0.30 0.06 1.61 -0.85 -0.79 -4.44 117.35 110.23 3gnq s TYR 232 Ca 0.00 -0.84 0.06 0.00 -0.52 0.00 0.00 57.07 55.77 3gnq s TYR 232 Cb 0.00 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 3gnq s TYR 232 CO 0.00 -1.41 -0.13 0.00 -1.52 0.00 0.00 175.55 172.49 3gnq s ALA 233 N -2.75 2.82 -0.25 9.51 0.00 0.70 -0.90 121.76 130.88 3gnq s ALA 233 Ca 0.18 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.99 3gnq s ALA 233 Cb -0.04 -0.88 0.05 0.00 0.00 0.00 0.00 23.12 22.26 3gnq s ALA 233 CO 0.13 0.61 -0.11 0.42 0.00 0.00 0.00 175.76 176.80 3gnq s ILE 234 N -1.05 2.22 -0.08 0.00 1.01 -0.28 -0.20 121.20 122.81 3gnq s ILE 234 Ca 0.18 -1.54 -0.30 0.00 0.00 0.00 0.00 60.65 58.99 3gnq s ILE 234 Cb -0.11 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 3gnq s ILE 234 CO 0.09 0.03 1.10 -0.13 0.00 0.00 0.00 174.94 176.03 3gnq s ARG 235 N 1.13 4.39 0.31 2.79 1.81 0.48 -1.00 118.95 128.87 3gnq s ARG 235 Ca -0.07 1.52 0.10 0.00 -1.72 0.00 0.00 55.73 55.56 3gnq s ARG 235 Cb -0.19 -3.55 -0.06 0.00 -0.45 0.00 0.00 34.95 30.70 3gnq s ARG 235 CO -0.06 -0.38 -0.10 0.14 -0.68 0.00 0.00 175.30 174.22 3gnq s VAL 236 N 2.13 2.50 -0.99 3.52 -7.23 0.16 -0.83 120.40 119.67 3gnq s VAL 236 Ca 0.52 -2.21 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 3gnq s VAL 236 Cb -0.21 -2.57 -0.07 0.00 0.56 0.00 0.00 36.38 34.09 3gnq s VAL 236 CO 0.20 -0.29 2.17 -2.65 -0.31 0.00 0.00 175.10 174.23 3gnq n PRO 237 N -0.77 2.19 -4.14 4.82 -0.02 -1.25 -3.28 135.00 132.55 3gnq n PRO 237 Ca -0.05 -1.63 -0.15 0.00 -2.02 0.00 0.00 63.50 59.64 3gnq n PRO 237 Cb 0.62 -2.59 -0.11 0.00 -0.02 0.00 0.00 33.50 31.39 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 3.51 0.87 -0.16 3.45 -4.23 -1.26 -5.03 115.64 112.79 3gnq s THR 238 Ca 0.46 -1.36 0.15 0.00 -1.18 0.00 0.00 61.69 59.76 3gnq s THR 238 Cb 0.12 -1.04 0.04 0.00 1.34 0.00 0.00 72.50 72.96 3gnq s THR 238 CO -0.02 -0.40 1.37 -0.29 -0.54 0.00 0.00 174.62 174.74 3gnq h ILE 239 N 4.08 0.81 -2.32 2.99 2.10 -1.88 -2.24 117.51 121.05 3gnq h ILE 239 Ca -0.38 -2.17 0.06 0.00 1.08 0.00 0.00 64.86 63.45 3gnq h ILE 239 Cb 1.19 2.37 -0.16 0.00 -1.09 0.00 0.00 36.82 39.13 3gnq h ILE 239 CO 0.45 0.46 0.41 0.21 -1.08 0.00 0.00 178.15 178.61 3gnq s ASN 240 N -6.37 -0.43 0.00 2.19 2.47 -1.26 -4.67 114.94 106.87 3gnq s ASN 240 Ca 0.03 0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.42 3gnq s ASN 240 Cb 0.08 0.43 0.00 0.00 -1.45 0.00 0.00 41.25 40.31 3gnq s ASN 240 CO 0.75 -0.66 0.00 0.52 -3.72 0.00 0.00 177.10 173.99 3gnq n VAL 241 N -0.05 -0.75 -4.05 -5.21 0.31 -1.26 -4.84 118.33 102.48 3gnq n VAL 241 Ca -0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.11 3gnq n VAL 241 Cb 0.62 -0.15 -0.08 0.00 -0.91 0.00 0.00 33.84 33.32 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 -1.35 0.08 0.00 4.52 0.01 -0.27 -3.25 113.70 113.45 3gnq s SER 242 Ca 0.00 -1.04 0.01 0.00 1.31 0.00 0.00 55.95 56.23 3gnq s SER 242 Cb 0.00 0.43 -0.00 0.00 0.21 0.00 0.00 66.02 66.65 3gnq s SER 242 CO 0.00 -0.90 -0.04 -0.51 0.41 0.00 0.00 173.24 172.20 3gnq s ILE 243 N -4.03 0.27 -0.23 1.44 2.07 0.05 -1.36 121.20 119.41 3gnq s ILE 243 Ca 0.24 -0.21 -0.11 0.00 -1.41 0.00 0.00 60.65 59.16 3gnq s ILE 243 Cb 0.04 -0.25 -0.05 0.00 0.13 0.00 0.00 42.46 42.33 3gnq s ILE 243 CO 0.04 0.04 0.19 -0.69 -1.91 0.00 0.00 174.94 172.61 3gnq s VAL 244 N -0.17 5.34 -0.36 4.00 1.01 0.24 -0.67 120.40 129.78 3gnq s VAL 244 Ca 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 3gnq s VAL 244 Cb -0.02 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.92 3gnq s VAL 244 CO -0.00 0.34 0.12 -0.62 0.00 0.00 0.00 175.10 174.94 3gnq s ASP 245 N 0.97 5.11 -0.20 3.32 -1.08 0.02 -1.42 116.67 123.39 3gnq s ASP 245 Ca 0.09 -1.74 -0.06 0.00 -0.52 0.00 0.00 52.55 50.32 3gnq s ASP 245 Cb -0.13 -1.78 -0.03 0.00 -1.46 0.00 0.00 42.92 39.51 3gnq s ASP 245 CO 0.04 -0.43 0.04 -0.22 0.52 0.00 0.00 175.17 175.12 3gnq s LEU 246 N 1.18 3.51 -0.15 -1.34 2.96 0.25 -1.36 118.68 123.73 3gnq s LEU 246 Ca 0.03 -0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 3gnq s LEU 246 Cb -0.21 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3gnq s LEU 246 CO -0.03 0.09 0.01 -0.44 -1.32 0.00 0.00 176.35 174.66 3gnq s SER 247 N 0.89 5.24 0.02 3.68 0.01 -0.05 -0.96 113.70 122.51 3gnq s SER 247 Ca 0.03 0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.19 3gnq s SER 247 Cb -0.14 -1.81 0.01 0.00 0.21 0.00 0.00 66.02 64.29 3gnq s SER 247 CO 0.02 0.21 0.23 0.72 0.41 0.00 0.00 173.24 174.84 3gnq s PHE 248 N 0.13 -0.04 -0.36 2.43 -0.12 0.29 -0.63 117.98 119.69 3gnq s PHE 248 Ca 0.02 -0.06 -0.24 0.00 -0.05 0.00 0.00 56.93 56.60 3gnq s PHE 248 Cb -0.13 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.29 3gnq s PHE 248 CO 0.02 -0.40 0.83 0.42 -0.05 0.00 0.00 175.22 176.03 3gnq s ILE 249 N -1.99 4.70 0.45 -4.49 1.01 -0.89 -0.47 121.20 119.52 3gnq s ILE 249 Ca -0.09 1.01 -0.21 0.00 0.00 0.00 0.00 60.65 61.36 3gnq s ILE 249 Cb -0.03 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.10 3gnq s ILE 249 CO -0.00 -0.44 0.98 0.00 0.00 0.00 0.00 174.94 175.47 3gnq s ALA 250 N 3.19 2.99 -0.32 9.38 0.00 0.70 -0.77 121.76 136.93 3gnq s ALA 250 Ca 0.33 0.44 0.23 0.00 0.00 0.00 0.00 51.96 52.97 3gnq s ALA 250 Cb -0.13 -3.18 0.44 0.00 0.00 0.00 0.00 23.12 20.26 3gnq s ALA 250 CO 0.17 -0.01 1.64 0.87 0.00 0.00 0.00 175.76 178.42 3gnq h LYS 251 N 1.75 0.00 -4.90 0.00 1.57 -0.73 -3.45 116.57 110.81 3gnq h LYS 251 Ca -0.49 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.82 3gnq h LYS 251 Cb 1.19 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.37 3gnq h LYS 251 CO 0.60 0.08 -0.51 -0.98 -0.57 0.00 0.00 179.45 178.07 3gnq s ARG 252 N -3.24 1.74 0.25 3.15 1.70 -1.26 -5.07 118.95 116.22 3gnq s ARG 252 Ca 0.06 -2.01 -0.27 0.00 -0.47 0.00 0.00 55.73 53.03 3gnq s ARG 252 Cb 0.06 0.16 -0.09 0.00 -0.57 0.00 0.00 34.95 34.51 3gnq s ARG 252 CO 0.66 -0.60 0.89 -0.51 -1.08 0.00 0.00 175.30 174.67 3gnq s ASP 253 N -3.40 7.45 0.34 -2.89 1.11 -1.26 -4.91 116.67 113.12 3gnq s ASP 253 Ca 0.38 1.81 0.04 0.00 0.18 0.00 0.00 52.55 54.97 3gnq s ASP 253 Cb 0.03 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.44 3gnq s ASP 253 CO 0.24 0.08 0.35 0.28 1.18 0.00 0.00 175.17 177.31 3gnq s THR 254 N -1.35 0.00 0.21 -1.27 -1.32 -1.26 -5.15 115.64 105.50 3gnq s THR 254 Ca 0.43 -1.86 0.08 0.00 -1.21 0.00 0.00 61.69 59.13 3gnq s THR 254 Cb -0.22 -2.56 -0.05 0.00 -1.51 0.00 0.00 72.50 68.16 3gnq s THR 254 CO 0.27 0.00 -0.15 0.42 -2.21 0.00 0.00 174.62 172.96 3gnq s THR 255 N -3.25 1.78 0.23 5.08 -4.23 -1.26 -4.96 115.64 109.02 3gnq s THR 255 Ca 0.37 -2.22 -0.07 0.00 -1.18 0.00 0.00 61.69 58.60 3gnq s THR 255 Cb 0.01 -2.06 0.18 0.00 1.34 0.00 0.00 72.50 71.98 3gnq s THR 255 CO 0.26 -0.58 1.74 0.00 -0.54 0.00 0.00 174.62 175.49 3gnq h ALA 256 N 2.55 0.92 -0.53 3.99 0.00 -1.92 -0.56 119.26 123.71 3gnq h ALA 256 Ca -0.38 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.67 3gnq h ALA 256 Cb 1.22 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3gnq h ALA 256 CO 0.62 -0.20 0.30 0.00 0.00 0.00 0.00 179.25 179.96 3gnq h ALA 257 N 1.49 0.68 -0.45 0.00 0.00 -1.97 -2.16 119.26 116.85 3gnq h ALA 257 Ca 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 3gnq h ALA 257 Cb 0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3gnq h ALA 257 CO -0.36 -0.02 0.05 1.49 0.00 0.00 0.00 179.25 180.41 3gnq h GLU 258 N 0.58 0.77 -0.91 0.00 4.81 -1.83 -2.48 114.58 115.52 3gnq h GLU 258 Ca 0.22 -0.22 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3gnq h GLU 258 Cb 0.08 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 3gnq h GLU 258 CO -0.13 0.80 0.57 0.28 -0.73 0.00 0.00 179.01 179.80 3gnq h VAL 259 N 0.62 1.03 -0.22 0.32 2.07 -0.92 -1.97 116.25 117.18 3gnq h VAL 259 Ca 0.14 -0.35 -0.19 0.00 0.82 0.00 0.00 66.70 67.12 3gnq h VAL 259 Cb 0.42 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3gnq h VAL 259 CO 0.01 0.18 -0.59 0.78 0.02 0.00 0.00 177.57 177.98 3gnq h ASN 260 N 1.01 0.90 -0.45 0.57 2.35 -1.22 -2.60 115.58 116.15 3gnq h ASN 260 Ca 0.41 -0.57 0.04 0.00 -0.55 0.00 0.00 56.30 55.62 3gnq h ASN 260 Cb 0.23 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 3gnq h ASN 260 CO -0.19 1.31 0.22 0.00 -1.65 0.00 0.00 177.43 177.13 3gnq h ALA 261 N 0.61 0.56 -0.86 -0.83 0.00 -1.22 -0.31 119.26 117.21 3gnq h ALA 261 Ca -0.01 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3gnq h ALA 261 Cb 1.21 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 3gnq h ALA 261 CO 0.13 -0.13 0.56 0.82 0.00 0.00 0.00 179.25 180.63 3gnq h ILE 262 N 0.45 0.99 0.07 0.00 2.04 -1.26 -0.95 117.51 118.86 3gnq h ILE 262 Ca 0.19 -0.30 -0.27 0.00 1.00 0.00 0.00 64.86 65.48 3gnq h ILE 262 Cb 0.10 0.03 0.02 0.00 -0.74 0.00 0.00 36.82 36.23 3gnq h ILE 262 CO -0.14 0.16 -1.14 0.24 0.00 0.00 0.00 178.15 177.28 3gnq h MET 263 N 0.88 0.56 -0.24 2.37 2.86 -1.00 -2.33 114.93 118.04 3gnq h MET 263 Ca 0.39 -0.70 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3gnq h MET 263 Cb 0.35 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3gnq h MET 263 CO -0.16 1.29 0.15 -0.22 1.06 0.00 0.00 176.91 179.03 3gnq h LYS 264 N 0.27 0.33 -0.72 1.72 3.64 -0.71 0.23 116.57 121.33 3gnq h LYS 264 Ca -0.15 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.26 3gnq h LYS 264 Cb 1.80 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.50 3gnq h LYS 264 CO 0.21 0.26 0.41 1.49 -2.27 0.00 0.00 179.45 179.55 3gnq h GLU 265 N 0.30 0.74 -0.66 1.90 4.81 -1.26 -0.86 114.58 119.54 3gnq h GLU 265 Ca 0.09 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3gnq h GLU 265 Cb 0.01 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3gnq h GLU 265 CO -0.02 0.49 0.21 0.00 -0.73 0.00 0.00 179.01 178.96 3gnq h ALA 266 N 1.36 1.12 -0.00 2.92 0.00 -0.87 -2.89 119.26 120.90 3gnq h ALA 266 Ca 0.32 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3gnq h ALA 266 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3gnq h ALA 266 CO -0.18 0.61 -0.67 0.66 0.00 0.00 0.00 179.25 179.67 3gnq h SER 267 N 0.98 0.00 0.54 0.00 4.64 0.19 -2.74 113.55 117.15 3gnq h SER 267 Ca 0.22 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3gnq h SER 267 Cb 0.28 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3gnq h SER 267 CO -0.01 0.67 -0.21 -0.62 -0.87 0.00 0.00 176.83 175.79 3gnq n GLU 268 N -3.75 0.34 0.00 4.77 1.02 -0.44 -3.34 120.64 119.24 3gnq n GLU 268 Ca -0.01 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 3gnq n GLU 268 Cb 0.66 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 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 1.40 1.62 0.26 0.62 0.00 -1.10 -4.83 105.19 103.16 3gnq n GLY 269 Ca 0.10 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 0.64 -0.46 4.61 0.00 -1.81 -2.06 119.26 121.19 3gnq h ALA 270 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3gnq h ALA 270 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gnq h ALA 270 CO 0.00 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.11 3gnq n LEU 271 N -5.36 5.03 -4.63 0.00 4.77 -1.05 -5.00 117.00 110.77 3gnq n LEU 271 Ca 0.11 -2.95 -0.50 0.00 -0.03 0.00 0.00 56.01 52.64 3gnq n LEU 271 Cb 0.41 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3gnq n LEU 271 CO 0.06 0.65 1.04 1.17 -1.33 0.00 0.00 177.39 178.97 3gnq n LYS 272 N 0.21 1.54 0.00 3.23 4.81 -0.78 -1.24 118.16 125.93 3gnq n LYS 272 Ca 0.25 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 3gnq n LYS 272 Cb 1.08 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.88 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 2.96 3.04 0.14 3.14 0.00 -1.26 -4.75 105.19 108.46 3gnq n GLY 273 Ca 0.18 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 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 0.81 -3.45 -0.61 5.03 -1.74 -3.40 117.51 114.16 3gnq h ILE 274 Ca 0.00 -2.41 -0.66 0.00 -0.12 0.00 0.00 64.86 61.68 3gnq h ILE 274 Cb 0.00 2.63 -0.27 0.00 -3.03 0.00 0.00 36.82 36.15 3gnq h ILE 274 CO 0.00 0.84 -0.70 -0.22 -0.68 0.00 0.00 178.15 177.39 3gnq s LEU 275 N -7.25 3.01 0.47 1.44 2.96 -0.37 -0.13 118.68 118.81 3gnq s LEU 275 Ca -0.20 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.43 3gnq s LEU 275 Cb 0.06 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 45.00 3gnq s LEU 275 CO 0.80 -0.02 0.64 -0.83 -1.32 0.00 0.00 176.35 175.62 3gnq s GLY 276 N 1.48 1.90 -0.04 7.98 0.00 -0.06 -4.62 107.32 113.95 3gnq s GLY 276 Ca 0.06 -1.68 -0.02 0.00 0.00 0.00 0.00 44.72 43.08 3gnq s GLY 276 CO -0.02 -1.44 0.07 -0.47 0.00 0.00 0.00 173.10 171.24 3gnq s TYR 277 N -2.47 0.04 -0.11 1.90 5.04 -1.26 -1.18 117.35 119.30 3gnq s TYR 277 Ca 0.56 0.28 0.01 0.00 -2.44 0.00 0.00 57.07 55.49 3gnq s TYR 277 Cb -0.09 -0.44 -0.01 0.00 0.35 0.00 0.00 41.96 41.76 3gnq s TYR 277 CO 0.35 -0.19 -0.16 1.21 -1.34 0.00 0.00 175.55 175.42 3gnq s ASN 278 N 2.10 3.76 0.00 4.32 2.47 -0.32 -4.96 114.94 122.31 3gnq s ASN 278 Ca 0.04 -0.38 0.10 0.00 0.42 0.00 0.00 52.86 53.04 3gnq s ASN 278 Cb -0.12 -1.48 -0.01 0.00 -1.45 0.00 0.00 41.25 38.19 3gnq s ASN 278 CO -0.03 0.18 0.61 -0.62 -3.72 0.00 0.00 177.10 173.52 3gnq n GLU 279 N 3.42 2.20 -2.55 0.43 1.02 -1.26 -1.24 120.64 122.66 3gnq n GLU 279 Ca -0.18 -0.56 -0.33 0.00 -0.02 0.00 0.00 57.16 56.06 3gnq n GLU 279 Cb 0.53 -1.07 -0.04 0.00 -0.02 0.00 0.00 31.44 30.84 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 -1.37 2.94 -1.25 0.62 0.00 -1.26 -4.81 121.76 116.63 3gnq s ALA 280 Ca 0.08 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.33 3gnq s ALA 280 Cb 0.08 -3.20 0.11 0.00 0.00 0.00 0.00 23.12 20.11 3gnq s ALA 280 CO 0.25 -0.22 1.59 -1.25 0.00 0.00 0.00 175.76 176.14 3gnq s PRO 281 N -3.44 4.01 0.33 0.00 0.04 -1.26 -4.93 135.00 129.75 3gnq s PRO 281 Ca 0.64 -2.21 0.09 0.00 0.04 0.00 0.00 61.00 59.57 3gnq s PRO 281 Cb -0.13 -5.33 -0.05 0.00 0.04 0.00 0.00 34.50 29.03 3gnq s PRO 281 CO 0.21 -2.05 -0.03 -0.51 0.04 0.00 0.00 177.00 174.67 3gnq s LEU 282 N 3.14 2.91 0.48 -3.56 1.43 -1.26 -5.15 118.68 116.66 3gnq s LEU 282 Ca 0.49 -1.01 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 3gnq s LEU 282 Cb 0.01 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 3gnq s LEU 282 CO 0.04 -0.19 0.04 0.68 0.23 0.00 0.00 176.35 177.16 3gnq s VAL 283 N -2.52 0.99 0.28 -1.59 -7.23 -1.26 -5.05 120.40 104.02 3gnq s VAL 283 Ca 0.34 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.47 3gnq s VAL 283 Cb -0.01 -2.23 0.22 0.00 0.56 0.00 0.00 36.38 34.92 3gnq s VAL 283 CO 0.18 0.00 1.90 0.77 -0.31 0.00 0.00 175.10 177.64 3gnq h SER 284 N 1.49 0.95 0.69 4.85 4.64 -1.99 -1.91 113.55 122.27 3gnq h SER 284 Ca -0.41 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3gnq h SER 284 Cb 1.30 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3gnq h SER 284 CO 0.69 0.77 0.00 0.00 -0.87 0.00 0.00 176.83 177.41 3gnq n ILE 285 N -4.35 0.84 0.53 0.95 3.06 -1.26 -1.86 119.36 117.26 3gnq n ILE 285 Ca 0.08 0.26 0.12 0.00 -2.50 0.00 0.00 62.75 60.71 3gnq n ILE 285 Cb 0.10 -1.19 0.46 0.00 0.54 0.00 0.00 39.64 39.54 3gnq n ILE 285 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3gnq n ASP 286 N -2.25 0.60 -0.85 9.51 10.43 -0.72 -1.95 116.55 131.32 3gnq n ASP 286 Ca 0.02 0.61 0.12 0.00 2.57 0.00 0.00 54.79 58.11 3gnq n ASP 286 Cb 0.22 -0.75 0.10 0.00 1.84 0.00 0.00 41.12 42.53 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 -2.12 0.00 -1.97 1.24 3.72 -0.78 -4.84 117.46 112.72 3gnq n PHE 287 Ca 0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 3gnq n PHE 287 Cb 0.30 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 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 -2.09 6.62 0.00 4.37 2.47 -0.82 -1.64 114.94 123.84 3gnq s ASN 288 Ca 0.27 2.59 0.00 0.00 0.42 0.00 0.00 52.86 56.13 3gnq s ASN 288 Cb 0.20 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 3gnq s ASN 288 CO 0.35 -0.79 0.00 1.57 -3.72 0.00 0.00 177.10 174.51 3gnq n HIS 289 N 3.83 0.00 -2.62 0.43 -0.00 -1.26 -5.00 115.22 110.60 3gnq n HIS 289 Ca 0.13 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.88 3gnq n HIS 289 Cb 0.39 -0.71 -0.02 0.00 -0.12 0.00 0.00 29.99 29.53 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 -2.03 7.12 0.00 0.26 3.84 -0.65 -4.95 114.94 118.52 3gnq s ASN 290 Ca 0.00 1.51 0.32 0.00 0.21 0.00 0.00 52.86 54.90 3gnq s ASN 290 Cb 0.00 -2.55 1.89 0.00 -0.55 0.00 0.00 41.25 40.04 3gnq s ASN 290 CO 0.00 -0.61 2.22 -0.81 -2.79 0.00 0.00 177.10 175.11 3gnq n PRO 291 N 5.85 1.00 -1.94 0.43 -0.04 -1.26 -3.97 135.00 135.07 3gnq n PRO 291 Ca 0.11 -0.02 -0.37 0.00 -0.04 0.00 0.00 63.50 63.18 3gnq n PRO 291 Cb 0.47 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 3gnq n PRO 291 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gnq s ALA 292 N -2.01 2.71 0.04 0.55 0.00 -1.26 -4.36 121.76 117.43 3gnq s ALA 292 Ca 0.48 1.14 0.22 0.00 0.00 0.00 0.00 51.96 53.80 3gnq s ALA 292 Cb 0.22 -3.49 0.70 0.00 0.00 0.00 0.00 23.12 20.55 3gnq s ALA 292 CO 0.37 -1.20 1.73 0.77 0.00 0.00 0.00 175.76 177.43 3gnq h SER 293 N 1.28 0.00 -1.88 0.00 0.02 -0.77 -3.39 113.55 108.82 3gnq h SER 293 Ca -0.50 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 60.57 3gnq h SER 293 Cb 1.29 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.60 3gnq h SER 293 CO 0.57 0.27 0.18 -0.55 -1.14 0.00 0.00 176.83 176.15 3gnq s SER 294 N -6.25 -0.71 -0.32 3.07 0.15 -1.05 -3.27 113.70 105.32 3gnq s SER 294 Ca 0.02 1.04 0.03 0.00 0.70 0.00 0.00 55.95 57.73 3gnq s SER 294 Cb 0.09 1.63 0.08 0.00 -1.71 0.00 0.00 66.02 66.11 3gnq s SER 294 CO 0.66 -0.15 0.01 -0.89 1.20 0.00 0.00 173.24 174.07 3gnq s THR 295 N 2.12 2.40 0.29 6.45 2.01 0.44 -0.88 115.64 128.47 3gnq s THR 295 Ca -0.06 -2.02 -0.29 0.00 0.31 0.00 0.00 61.69 59.63 3gnq s THR 295 Cb -0.06 -2.62 -0.10 0.00 0.01 0.00 0.00 72.50 69.73 3gnq s THR 295 CO -0.17 -0.39 1.35 0.12 -0.69 0.00 0.00 174.62 174.83 3gnq s PHE 296 N 1.01 3.07 -0.40 4.92 5.36 -0.33 -0.91 117.98 130.71 3gnq s PHE 296 Ca 0.03 1.28 -0.06 0.00 -0.96 0.00 0.00 56.93 57.22 3gnq s PHE 296 Cb -0.20 -3.71 0.08 0.00 -0.34 0.00 0.00 43.02 38.86 3gnq s PHE 296 CO -0.06 -2.09 0.20 0.34 -1.46 0.00 0.00 175.22 172.15 3gnq s ASP 297 N -0.12 5.41 0.51 6.13 -1.08 -0.02 -1.18 116.67 126.31 3gnq s ASP 297 Ca 0.53 -1.62 0.17 0.00 -0.52 0.00 0.00 52.55 51.11 3gnq s ASP 297 Cb -0.40 -1.90 1.26 0.00 -1.46 0.00 0.00 42.92 40.42 3gnq s ASP 297 CO 0.48 -0.50 2.11 0.00 0.52 0.00 0.00 175.17 177.79 3gnq h ALA 298 N 8.24 1.83 0.00 3.66 0.00 -1.48 -2.46 119.26 129.05 3gnq h ALA 298 Ca -0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gnq h ALA 298 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3gnq h ALA 298 CO 0.70 0.07 0.00 0.25 0.00 0.00 0.00 179.25 180.28 3gnq n THR 299 N -4.37 0.81 0.75 0.00 -2.24 -1.26 -2.97 114.28 105.01 3gnq n THR 299 Ca -0.03 0.18 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 3gnq n THR 299 Cb 0.14 -1.00 0.04 0.00 -2.10 0.00 0.00 70.33 67.41 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 -1.89 2.18 -4.74 3.22 4.77 -0.93 -5.00 117.00 114.62 3gnq n LEU 300 Ca 0.03 -0.91 -0.41 0.00 -0.03 0.00 0.00 56.01 54.69 3gnq n LEU 300 Cb 0.23 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3gnq n LEU 300 CO 0.19 0.39 1.00 -0.89 -1.33 0.00 0.00 177.39 176.74 3gnq s THR 301 N -1.70 3.20 -0.01 -5.08 2.01 -1.16 -4.79 115.64 108.12 3gnq s THR 301 Ca 0.18 0.98 0.03 0.00 0.31 0.00 0.00 61.69 63.19 3gnq s THR 301 Cb 0.15 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 69.03 3gnq s THR 301 CO 0.31 0.14 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.74 3gnq s LYS 302 N -0.01 0.88 -0.02 4.92 3.01 -0.66 -4.96 119.74 122.89 3gnq s LYS 302 Ca 0.57 -0.34 0.02 0.00 -1.01 0.00 0.00 55.97 55.21 3gnq s LYS 302 Cb -0.37 -0.84 0.01 0.00 -1.01 0.00 0.00 37.83 35.63 3gnq s LYS 302 CO 0.38 0.18 -0.06 0.14 0.51 0.00 0.00 175.35 176.50 3gnq s VAL 303 N -0.08 0.56 -0.24 3.17 -7.23 -1.26 -0.18 120.40 115.14 3gnq s VAL 303 Ca 0.01 -0.22 -0.04 0.00 -1.81 0.00 0.00 61.98 59.92 3gnq s VAL 303 Cb -0.06 -0.52 0.09 0.00 0.56 0.00 0.00 36.38 36.45 3gnq s VAL 303 CO -0.00 0.19 0.13 -0.55 -0.31 0.00 0.00 175.10 174.56 3gnq s SER 304 N 0.33 2.88 1.82 4.85 0.15 -0.42 -4.89 113.70 118.41 3gnq s SER 304 Ca -0.04 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 55.66 3gnq s SER 304 Cb -0.08 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 3gnq s SER 304 CO 0.00 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.65 3gnq n GLY 305 N 5.27 3.77 1.20 9.45 0.00 -1.26 -1.67 105.19 121.95 3gnq n GLY 305 Ca -0.06 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 12.36 2.78 -3.41 1.61 5.12 -1.26 -4.59 116.66 129.28 3gnq n ARG 306 Ca 0.00 -2.54 -0.39 0.00 -1.93 0.00 0.00 57.85 53.00 3gnq n ARG 306 Cb 0.00 -1.51 -0.09 0.00 -1.16 0.00 0.00 32.46 29.70 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 -1.02 4.08 -0.08 0.55 2.96 -0.67 -0.21 118.68 124.29 3gnq s LEU 307 Ca 0.43 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.72 3gnq s LEU 307 Cb 0.23 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 3gnq s LEU 307 CO 0.29 -0.14 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.34 3gnq s VAL 308 N 1.78 2.87 -0.13 1.68 1.01 0.38 -1.30 120.40 126.68 3gnq s VAL 308 Ca 0.16 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3gnq s VAL 308 Cb -0.15 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.09 3gnq s VAL 308 CO 0.09 0.57 -0.19 -0.75 0.00 0.00 0.00 175.10 174.81 3gnq s LYS 309 N -0.30 3.14 0.02 2.72 2.20 0.75 -0.55 119.74 127.73 3gnq s LYS 309 Ca 0.02 -0.80 0.02 0.00 -0.36 0.00 0.00 55.97 54.85 3gnq s LYS 309 Cb -0.13 -2.48 -0.01 0.00 -1.51 0.00 0.00 37.83 33.69 3gnq s LYS 309 CO 0.03 0.08 -0.08 0.14 -0.36 0.00 0.00 175.35 175.16 3gnq s VAL 310 N 0.62 0.57 0.03 4.02 -7.23 -0.14 -1.65 120.40 116.61 3gnq s VAL 310 Ca -0.10 -0.69 0.05 0.00 -1.81 0.00 0.00 61.98 59.43 3gnq s VAL 310 Cb -0.16 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 3gnq s VAL 310 CO 0.03 -0.10 -0.14 -0.44 -0.31 0.00 0.00 175.10 174.13 3gnq s SER 311 N -0.87 1.68 -0.02 4.85 0.01 -1.26 -0.58 113.70 117.52 3gnq s SER 311 Ca -0.03 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 56.80 3gnq s SER 311 Cb -0.06 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.07 3gnq s SER 311 CO 0.00 0.06 0.03 -0.55 0.41 0.00 0.00 173.24 173.19 3gnq s SER 312 N -1.02 0.03 0.30 2.44 0.15 -0.51 -0.84 113.70 114.26 3gnq s SER 312 Ca 0.02 0.05 -0.21 0.00 0.70 0.00 0.00 55.95 56.52 3gnq s SER 312 Cb -0.07 -0.02 -0.09 0.00 -1.71 0.00 0.00 66.02 64.12 3gnq s SER 312 CO 0.01 -0.09 0.82 0.26 1.20 0.00 0.00 173.24 175.44 3gnq s TRP 313 N 0.75 3.55 -0.09 3.44 0.52 -0.08 -0.59 118.94 126.44 3gnq s TRP 313 Ca -0.06 1.49 -0.07 0.00 0.02 0.00 0.00 56.10 57.48 3gnq s TRP 313 Cb -0.09 -2.72 0.03 0.00 -1.15 0.00 0.00 33.47 29.54 3gnq s TRP 313 CO -0.02 0.18 0.23 1.52 0.02 0.00 0.00 176.95 178.87 3gnq s TYR 314 N -1.75 -0.26 -0.66 -1.98 -0.00 -0.47 -0.42 117.35 111.81 3gnq s TYR 314 Ca 0.50 0.64 -0.27 0.00 -0.00 0.00 0.00 57.07 57.95 3gnq s TYR 314 Cb -0.15 0.07 0.00 0.00 -0.00 0.00 0.00 41.96 41.88 3gnq s TYR 314 CO 0.20 -0.15 1.58 0.34 -0.00 0.00 0.00 175.55 177.51 3gnq s ASP 315 N 0.47 5.73 0.00 -0.18 3.68 -1.26 -1.11 116.67 124.00 3gnq s ASP 315 Ca -0.03 0.02 0.04 0.00 2.13 0.00 0.00 52.55 54.71 3gnq s ASP 315 Cb -0.04 -2.54 0.24 0.00 -1.45 0.00 0.00 42.92 39.13 3gnq s ASP 315 CO -0.02 -2.08 0.62 -0.46 0.13 0.00 0.00 175.17 173.35 3gnq n ASN 316 N 11.03 0.00 -0.02 -0.34 6.94 -1.26 -2.30 115.26 129.31 3gnq n ASN 316 Ca 0.12 -0.25 -0.03 0.00 -0.02 0.00 0.00 54.58 54.41 3gnq n ASN 316 Cb 0.50 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.91 3gnq n ASN 316 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3gnq n GLU 317 N -0.84 0.08 0.04 -3.83 1.02 -1.26 -4.70 120.64 111.15 3gnq n GLU 317 Ca 0.03 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 56.99 3gnq n GLU 317 Cb 0.01 -0.91 -0.14 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.04 0.52 -0.10 -0.32 -0.00 -1.82 -2.30 115.95 111.89 3gnq h TRP 318 Ca -0.08 -0.38 0.04 0.00 -0.00 0.00 0.00 58.89 58.47 3gnq h TRP 318 Cb 1.10 -0.02 -0.06 0.00 -0.00 0.00 0.00 29.16 30.17 3gnq h TRP 318 CO -0.00 1.36 -0.47 0.78 -0.00 0.00 0.00 178.44 180.10 3gnq h GLY 319 N -0.30 -0.87 1.53 2.65 0.00 -1.59 -0.53 103.07 103.97 3gnq h GLY 319 Ca -0.17 0.58 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 3gnq h GLY 319 CO 0.13 -0.22 0.28 -2.75 0.00 0.00 0.00 176.54 173.98 3gnq h PHE 320 N -0.55 0.61 -0.19 5.60 3.57 -1.73 -1.61 116.94 122.64 3gnq h PHE 320 Ca 0.05 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.35 3gnq h PHE 320 Cb 0.66 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.21 3gnq h PHE 320 CO -0.51 0.41 -0.69 0.77 -2.23 0.00 0.00 178.31 176.06 3gnq h SER 321 N 0.64 0.93 -0.54 0.41 0.02 -1.08 -2.16 113.55 111.77 3gnq h SER 321 Ca 0.17 -0.60 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3gnq h SER 321 Cb -0.02 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 3gnq h SER 321 CO -0.03 1.38 0.33 0.78 -1.14 0.00 0.00 176.83 178.15 3gnq h ASN 322 N 0.54 0.64 0.19 3.07 2.35 -0.51 -2.66 115.58 119.21 3gnq h ASN 322 Ca -0.03 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3gnq h ASN 322 Cb 1.32 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.52 3gnq h ASN 322 CO 0.15 0.50 -0.16 0.03 -1.65 0.00 0.00 177.43 176.30 3gnq h ARG 323 N 0.73 0.00 -0.38 0.81 2.47 -1.25 -1.96 114.38 114.80 3gnq h ARG 323 Ca 0.19 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.87 3gnq h ARG 323 Cb -0.03 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 3gnq h ARG 323 CO -0.04 0.16 0.06 0.52 0.56 0.00 0.00 179.97 181.23 3gnq h MET 324 N 0.00 0.57 -0.13 0.04 2.86 -1.02 -0.36 114.93 116.89 3gnq h MET 324 Ca -0.00 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 3gnq h MET 324 Cb 0.30 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 3gnq h MET 324 CO 0.02 0.55 -0.08 -0.07 1.06 0.00 0.00 176.91 178.39 3gnq h LEU 325 N 0.55 0.29 0.06 1.22 3.38 -1.33 -1.12 115.31 118.37 3gnq h LEU 325 Ca 0.12 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.68 3gnq h LEU 325 Cb 0.26 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3gnq h LEU 325 CO 0.00 0.66 -0.17 0.44 0.09 0.00 0.00 178.44 179.46 3gnq h ASP 326 N -0.08 -0.49 -0.16 -0.43 3.32 -1.12 -2.45 116.42 115.00 3gnq h ASP 326 Ca 0.03 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3gnq h ASP 326 Cb 0.56 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 3gnq h ASP 326 CO 0.02 -0.25 -0.17 0.74 -1.72 0.00 0.00 179.24 177.86 3gnq h THR 327 N -0.32 1.25 -0.74 0.35 2.02 -1.11 -2.29 112.91 112.07 3gnq h THR 327 Ca 0.04 -1.16 0.02 0.00 0.77 0.00 0.00 66.41 66.07 3gnq h THR 327 Cb 0.36 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 3gnq h THR 327 CO -0.12 0.38 0.48 0.00 0.37 0.00 0.00 175.52 176.63 3gnq h ALA 328 N 1.30 0.96 0.53 6.16 0.00 -0.95 0.13 119.26 127.38 3gnq h ALA 328 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3gnq h ALA 328 Cb 0.59 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gnq h ALA 328 CO 0.04 0.30 -0.25 0.82 0.00 0.00 0.00 179.25 180.15 3gnq h ILE 329 N 0.95 0.47 -0.09 0.00 1.08 -0.97 -2.19 117.51 116.75 3gnq h ILE 329 Ca 0.29 -0.05 0.03 0.00 -0.39 0.00 0.00 64.86 64.73 3gnq h ILE 329 Cb -0.03 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.21 3gnq h ILE 329 CO -0.09 0.01 0.07 0.00 -0.69 0.00 0.00 178.15 177.45 3gnq h ALA 330 N -0.28 2.05 -0.07 1.87 0.00 -1.06 -1.89 119.26 119.88 3gnq h ALA 330 Ca -0.07 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3gnq h ALA 330 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3gnq h ALA 330 CO 0.12 -0.12 -0.27 1.25 0.00 0.00 0.00 179.25 180.23 3gnq h LEU 331 N 0.00 0.36 -0.84 0.00 5.85 -0.71 -2.64 115.31 117.33 3gnq h LEU 331 Ca 0.04 -0.63 -0.09 0.00 0.84 0.00 0.00 57.88 58.04 3gnq h LEU 331 Cb 0.18 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3gnq h LEU 331 CO -0.00 0.93 -0.11 0.00 -0.34 0.00 0.00 178.44 178.92 3gnq h ALA 332 N 0.44 1.03 -0.35 1.25 0.00 -0.99 -3.05 119.26 117.58 3gnq h ALA 332 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3gnq h ALA 332 Cb 0.91 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3gnq h ALA 332 CO 0.06 0.59 0.00 0.09 0.00 0.00 0.00 179.25 179.99 3gnq n ASN 333 N -4.17 2.11 -4.72 0.00 3.02 -0.75 -4.98 115.26 105.77 3gnq n ASN 333 Ca 0.01 -2.06 -0.42 0.00 -0.03 0.00 0.00 54.58 52.08 3gnq n ASN 333 Cb 0.36 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 3gnq n ASN 333 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gnq s ALA 334 N -1.57 3.67 0.00 5.41 0.00 -1.00 -5.02 121.76 123.25 3gnq s ALA 334 Ca 0.24 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3gnq s ALA 334 Cb 0.14 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3gnq s ALA 334 CO 0.15 -0.69 0.00 1.17 0.00 0.00 0.00 175.76 176.39