#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 3.52 0.10 12.58 1.09 -1.11 -4.87 121.20 132.51 3gnq s ILE 2 Ca 0.00 0.49 0.08 0.00 -1.10 0.00 0.00 60.65 60.13 3gnq s ILE 2 Cb 0.00 -3.42 -0.04 0.00 -1.06 0.00 0.00 42.46 37.94 3gnq s ILE 2 CO 0.00 -0.65 -0.17 -0.13 -0.10 0.00 0.00 174.94 173.89 3gnq s ARG 3 N -5.29 1.89 0.01 2.79 0.52 -1.26 -2.19 118.95 115.42 3gnq s ARG 3 Ca 0.58 -1.11 -0.03 0.00 -0.52 0.00 0.00 55.73 54.65 3gnq s ARG 3 Cb -0.12 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 3gnq s ARG 3 CO 0.53 0.50 0.04 0.08 0.02 0.00 0.00 175.30 176.47 3gnq s VAL 4 N -1.10 0.10 0.04 3.52 1.01 -0.24 -1.83 120.40 121.90 3gnq s VAL 4 Ca 0.17 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3gnq s VAL 4 Cb -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 3gnq s VAL 4 CO 0.09 -0.45 -0.05 0.00 0.00 0.00 0.00 175.10 174.69 3gnq s ALA 5 N -1.45 0.42 -0.23 5.51 0.00 0.11 -1.56 121.76 124.56 3gnq s ALA 5 Ca -0.15 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 50.98 3gnq s ALA 5 Cb -0.09 0.14 0.06 0.00 0.00 0.00 0.00 23.12 23.23 3gnq s ALA 5 CO 0.00 -0.16 -0.08 0.42 0.00 0.00 0.00 175.76 175.94 3gnq s ILE 6 N -2.10 1.69 -0.28 0.00 1.01 -0.64 -0.74 121.20 120.15 3gnq s ILE 6 Ca -0.07 -1.26 -0.11 0.00 0.00 0.00 0.00 60.65 59.21 3gnq s ILE 6 Cb -0.05 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 3gnq s ILE 6 CO -0.03 -0.02 0.19 0.21 0.00 0.00 0.00 174.94 175.29 3gnq s ASN 7 N 1.33 6.03 0.00 3.58 2.47 -0.99 0.31 114.94 127.67 3gnq s ASN 7 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.23 3gnq s ASN 7 Cb -0.18 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.50 3gnq s ASN 7 CO -0.06 -0.04 0.00 0.61 -3.72 0.00 0.00 177.10 173.88 3gnq n GLY 8 N 4.99 -0.10 2.54 1.21 0.00 -0.32 -0.35 105.19 113.16 3gnq n GLY 8 Ca -0.14 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.17 2.64 -0.66 1.61 -0.00 -1.23 -3.50 117.16 115.84 3gnq n TYR 9 Ca 0.00 -2.78 0.00 0.00 -0.00 0.00 0.00 57.90 55.12 3gnq n TYR 9 Cb 0.00 -1.74 0.00 0.00 -0.00 0.00 0.00 39.34 37.60 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 1.54 3.34 0.38 2.98 0.00 -1.26 -4.42 105.19 107.73 3gnq n GLY 10 Ca 0.58 -1.77 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 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 1.30 0.16 1.61 2.47 -1.92 -0.60 114.38 117.41 3gnq h ARG 11 Ca 0.00 -0.08 -0.35 0.00 -1.26 0.00 0.00 59.98 58.29 3gnq h ARG 11 Cb 0.00 -0.29 0.00 0.00 -1.65 0.00 0.00 29.97 28.03 3gnq h ARG 11 CO 0.00 0.86 -1.78 0.82 0.56 0.00 0.00 179.97 180.43 3gnq h ILE 12 N 1.34 0.85 -0.57 2.04 1.08 -1.89 -3.19 117.51 117.18 3gnq h ILE 12 Ca 0.38 -2.44 -0.01 0.00 -0.39 0.00 0.00 64.86 62.39 3gnq h ILE 12 Cb -0.12 2.68 -0.03 0.00 -3.07 0.00 0.00 36.82 36.28 3gnq h ILE 12 CO -0.09 0.85 0.31 1.23 -0.69 0.00 0.00 178.15 179.76 3gnq h GLY 13 N 0.70 0.85 1.73 5.37 0.00 -1.58 -1.96 103.07 108.17 3gnq h GLY 13 Ca -0.36 -0.39 -0.23 0.00 0.00 0.00 0.00 47.33 46.35 3gnq h GLY 13 CO 0.13 0.37 -1.03 3.21 0.00 0.00 0.00 176.54 179.23 3gnq h ARG 14 N 0.76 0.22 0.00 4.80 3.08 -1.28 -3.08 114.38 118.89 3gnq h ARG 14 Ca 0.20 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3gnq h ARG 14 Cb 0.05 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3gnq h ARG 14 CO -0.03 1.07 -0.15 -0.91 -1.07 0.00 0.00 179.97 178.87 3gnq h ASN 15 N 0.10 0.00 0.00 7.04 2.35 -1.55 -1.72 115.58 121.80 3gnq h ASN 15 Ca -0.07 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3gnq h ASN 15 Cb 1.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.08 3gnq h ASN 15 CO 0.16 0.02 -0.00 0.74 -1.65 0.00 0.00 177.43 176.70 3gnq h THR 16 N 0.00 1.54 -0.10 2.81 2.02 -1.38 -1.73 112.91 116.08 3gnq h THR 16 Ca 0.00 -1.63 0.04 0.00 0.77 0.00 0.00 66.41 65.59 3gnq h THR 16 Cb 0.81 2.65 -0.06 0.00 -1.74 0.00 0.00 68.15 69.81 3gnq h THR 16 CO 0.00 0.42 -0.38 0.25 0.37 0.00 0.00 175.52 176.19 3gnq h LEU 17 N -0.70 -1.16 -0.88 2.58 6.46 -1.51 -1.35 115.31 118.74 3gnq h LEU 17 Ca -0.00 0.16 0.08 0.00 -0.12 0.00 0.00 57.88 57.99 3gnq h LEU 17 Cb 0.70 0.48 -0.07 0.00 -0.73 0.00 0.00 40.66 41.03 3gnq h LEU 17 CO 0.00 -0.41 0.54 0.03 -0.62 0.00 0.00 178.44 177.99 3gnq h ARG 18 N -0.47 0.92 -0.67 1.25 3.08 -1.37 -1.07 114.38 116.05 3gnq h ARG 18 Ca 0.08 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3gnq h ARG 18 Cb 0.60 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3gnq h ARG 18 CO -0.36 0.61 0.18 0.00 -1.07 0.00 0.00 179.97 179.33 3gnq h ALA 19 N 1.44 1.04 0.10 0.04 0.00 -0.98 0.16 119.26 121.05 3gnq h ALA 19 Ca 0.40 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3gnq h ALA 19 Cb 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3gnq h ALA 19 CO -0.20 0.64 -0.21 0.35 0.00 0.00 0.00 179.25 179.82 3gnq h PHE 20 N 1.01 -0.56 -0.55 0.00 3.57 -0.07 -1.19 116.94 119.15 3gnq h PHE 20 Ca 0.22 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.61 3gnq h PHE 20 Cb 0.33 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 3gnq h PHE 20 CO 0.02 -0.31 -0.11 1.88 -2.23 0.00 0.00 178.31 177.57 3gnq h TYR 21 N -0.39 1.17 -0.21 0.41 -1.99 -1.12 -2.01 116.97 112.83 3gnq h TYR 21 Ca 0.03 -0.24 -0.11 0.00 2.00 0.00 0.00 58.73 60.41 3gnq h TYR 21 Cb 0.42 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 3gnq h TYR 21 CO -0.21 1.07 -0.33 0.93 -0.00 0.00 0.00 178.16 179.62 3gnq h GLU 22 N 0.92 0.43 0.00 4.88 5.08 -0.62 -1.54 114.58 123.73 3gnq h GLU 22 Ca 0.14 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3gnq h GLU 22 Cb 0.68 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3gnq h GLU 22 CO 0.05 0.72 0.00 -1.71 -1.00 0.00 0.00 179.01 177.07 3gnq n ASN 23 N -4.07 0.40 -0.21 1.42 5.15 -0.46 -4.90 115.26 112.59 3gnq n ASN 23 Ca -0.01 0.59 0.00 0.00 -0.60 0.00 0.00 54.58 54.56 3gnq n ASN 23 Cb 0.45 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 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 0.27 1.01 2.41 8.20 0.00 -0.58 -4.10 105.19 112.40 3gnq n GLY 24 Ca 0.03 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.34 -1.44 0.11 1.61 5.02 -0.77 -4.86 118.16 117.49 3gnq n LYS 25 Ca 0.00 1.07 0.08 0.00 -2.02 0.00 0.00 58.31 57.44 3gnq n LYS 25 Cb 0.24 -5.43 0.40 0.00 -0.02 0.00 0.00 35.03 30.21 3gnq n LYS 25 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3gnq n LYS 26 N -2.27 0.10 -2.93 1.97 5.02 -1.26 -4.45 118.16 114.34 3gnq n LYS 26 Ca -0.19 0.56 -0.41 0.00 -2.02 0.00 0.00 58.31 56.26 3gnq n LYS 26 Cb 0.61 -1.80 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 3gnq n LYS 26 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3gnq s HIS 27 N -3.35 3.58 -0.91 2.13 3.76 -1.26 -4.97 115.29 114.26 3gnq s HIS 27 Ca -0.01 1.38 -0.25 0.00 -0.15 0.00 0.00 55.06 56.03 3gnq s HIS 27 Cb 0.05 -2.92 -0.07 0.00 1.11 0.00 0.00 32.58 30.74 3gnq s HIS 27 CO 0.16 0.01 2.04 -0.51 -0.85 0.00 0.00 174.74 175.59 3gnq s ASP 28 N 0.91 4.83 -0.10 1.40 1.01 -1.26 -4.78 116.67 118.68 3gnq s ASP 28 Ca 0.42 -0.64 -0.31 0.00 0.71 0.00 0.00 52.55 52.73 3gnq s ASP 28 Cb -0.18 -2.56 0.12 0.00 1.01 0.00 0.00 42.92 41.30 3gnq s ASP 28 CO 0.20 -3.07 1.01 -0.22 0.21 0.00 0.00 175.17 173.30 3gnq s LEU 29 N 11.33 -0.30 0.03 1.23 0.20 -1.26 -2.76 118.68 127.15 3gnq s LEU 29 Ca 0.75 0.11 -0.02 0.00 0.69 0.00 0.00 54.13 55.65 3gnq s LEU 29 Cb -0.07 1.80 -0.02 0.00 -0.43 0.00 0.00 46.19 47.46 3gnq s LEU 29 CO 0.03 -0.43 0.02 -1.61 -0.29 0.00 0.00 176.35 174.06 3gnq s GLU 30 N -2.34 0.49 -0.27 1.98 0.41 -0.93 -4.90 118.70 113.14 3gnq s GLU 30 Ca 0.04 -0.82 -0.06 0.00 -0.41 0.00 0.00 54.97 53.72 3gnq s GLU 30 Cb -0.01 0.18 -0.00 0.00 -1.78 0.00 0.00 34.13 32.52 3gnq s GLU 30 CO -0.05 -0.10 0.04 0.42 -0.49 0.00 0.00 175.26 175.08 3gnq s ILE 31 N -2.53 3.85 -0.11 -1.63 1.01 -1.26 -1.08 121.20 119.45 3gnq s ILE 31 Ca -0.06 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.14 3gnq s ILE 31 Cb -0.02 -2.89 -0.13 0.00 0.01 0.00 0.00 42.46 39.42 3gnq s ILE 31 CO -0.05 0.22 0.03 1.33 0.00 0.00 0.00 174.94 176.47 3gnq n VAL 32 N 4.85 0.76 -3.68 2.92 0.24 -0.60 -4.71 118.33 118.11 3gnq n VAL 32 Ca -0.16 -0.46 -0.10 0.00 -2.04 0.00 0.00 64.34 61.58 3gnq n VAL 32 Cb 0.49 -0.72 -0.05 0.00 -1.47 0.00 0.00 33.84 32.09 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 -2.27 -0.79 -0.06 2.33 0.00 -1.25 -2.35 121.76 117.37 3gnq s ALA 33 Ca -0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 3gnq s ALA 33 Cb 0.03 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.84 3gnq s ALA 33 CO 0.44 -0.63 0.15 0.42 0.00 0.00 0.00 175.76 176.14 3gnq s ILE 34 N -3.82 -0.01 -0.07 0.00 1.01 0.54 -1.62 121.20 117.24 3gnq s ILE 34 Ca 0.04 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.76 3gnq s ILE 34 Cb 0.02 -0.22 0.00 0.00 0.01 0.00 0.00 42.46 42.28 3gnq s ILE 34 CO -0.11 0.02 -0.18 0.21 0.00 0.00 0.00 174.94 174.88 3gnq s ASN 35 N 0.31 2.34 -0.29 3.58 2.47 0.15 0.48 114.94 123.97 3gnq s ASN 35 Ca -0.02 -0.40 -0.16 0.00 0.42 0.00 0.00 52.86 52.69 3gnq s ASN 35 Cb -0.03 -0.93 0.18 0.00 -1.45 0.00 0.00 41.25 39.02 3gnq s ASN 35 CO -0.01 0.12 1.15 -0.62 -3.72 0.00 0.00 177.10 174.01 3gnq s ASP 36 N 0.34 -0.25 0.00 -4.21 2.15 -0.85 -1.18 116.67 112.68 3gnq s ASP 36 Ca -0.12 0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.26 3gnq s ASP 36 Cb -0.15 1.07 0.00 0.00 -0.30 0.00 0.00 42.92 43.54 3gnq s ASP 36 CO 0.05 -0.06 0.00 0.00 -0.17 0.00 0.00 175.17 174.98 3gnq n LEU 37 N 3.28 0.00 -4.84 -1.34 -0.00 -1.26 -4.55 117.00 108.29 3gnq n LEU 37 Ca -0.17 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.62 3gnq n LEU 37 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.95 3gnq n LEU 37 CO 0.04 0.00 -0.15 -0.83 -0.00 0.00 0.00 177.39 176.45 3gnq s GLY 38 N -1.08 1.39 0.87 1.47 0.00 -1.26 -5.03 107.32 103.69 3gnq s GLY 38 Ca 0.00 -1.40 -0.15 0.00 0.00 0.00 0.00 44.72 43.17 3gnq s GLY 38 CO 0.00 -1.44 0.79 2.09 0.00 0.00 0.00 173.10 174.54 3gnq n ASP 39 N -1.21 -1.70 -0.23 1.64 3.85 -1.26 -4.78 116.55 112.85 3gnq n ASP 39 Ca -0.08 -0.99 -0.08 0.00 -0.71 0.00 0.00 54.79 52.93 3gnq n ASP 39 Cb 0.58 -0.72 0.04 0.00 -1.35 0.00 0.00 41.12 39.66 3gnq n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gnq h ALA 40 N -2.50 0.86 0.20 2.12 0.00 -1.91 -2.94 119.26 115.09 3gnq h ALA 40 Ca -0.29 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.38 3gnq h ALA 40 Cb 0.90 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3gnq h ALA 40 CO 0.19 0.58 -0.32 0.87 0.00 0.00 0.00 179.25 180.58 3gnq h LYS 41 N 0.97 -0.57 -0.47 0.00 1.57 -1.93 -1.83 116.57 114.31 3gnq h LYS 41 Ca 0.20 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.07 3gnq h LYS 41 Cb 0.37 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 3gnq h LYS 41 CO 0.00 -0.38 0.20 1.15 -0.57 0.00 0.00 179.45 179.86 3gnq h THR 42 N -0.59 0.91 -0.61 -0.16 2.02 -1.92 -1.41 112.91 111.16 3gnq h THR 42 Ca 0.01 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 3gnq h THR 42 Cb 0.58 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3gnq h THR 42 CO -0.14 0.07 0.09 0.78 0.37 0.00 0.00 175.52 176.70 3gnq h ASN 43 N 0.41 0.95 0.06 4.18 2.35 -1.42 -2.34 115.58 119.77 3gnq h ASN 43 Ca 0.21 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3gnq h ASN 43 Cb 0.16 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3gnq h ASN 43 CO -0.18 0.95 -0.03 0.00 -1.65 0.00 0.00 177.43 176.52 3gnq h ALA 44 N 1.16 -0.08 -0.32 -0.83 0.00 -0.62 -1.50 119.26 117.07 3gnq h ALA 44 Ca 0.19 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3gnq h ALA 44 Cb 0.41 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3gnq h ALA 44 CO 0.01 -0.54 0.11 1.25 0.00 0.00 0.00 179.25 180.08 3gnq h HIS 45 N -0.09 0.19 0.00 0.00 -0.00 -1.15 0.12 115.15 114.22 3gnq h HIS 45 Ca -0.01 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 3gnq h HIS 45 Cb 0.07 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 3gnq h HIS 45 CO -0.07 0.08 -0.17 -0.07 -0.00 0.00 0.00 177.93 177.70 3gnq h LEU 46 N 0.25 0.00 -0.12 0.26 3.38 -1.37 0.11 115.31 117.81 3gnq h LEU 46 Ca 0.14 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.88 3gnq h LEU 46 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3gnq h LEU 46 CO -0.15 0.17 -0.94 0.74 0.09 0.00 0.00 178.44 178.34 3gnq h THR 47 N 0.00 1.33 -0.02 0.22 2.02 -0.58 -3.33 112.91 112.56 3gnq h THR 47 Ca -0.00 -2.27 -0.18 0.00 0.77 0.00 0.00 66.41 64.72 3gnq h THR 47 Cb 0.58 2.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.29 3gnq h THR 47 CO 0.02 0.69 -0.80 -0.61 0.37 0.00 0.00 175.52 175.20 3gnq h GLN 48 N 0.35 0.21 -5.87 6.66 5.75 -0.09 -3.39 115.11 118.72 3gnq h GLN 48 Ca -0.09 -0.20 -0.62 0.00 -0.15 0.00 0.00 58.65 57.59 3gnq h GLN 48 Cb 1.58 0.05 -0.30 0.00 1.07 0.00 0.00 27.48 29.88 3gnq h GLN 48 CO 0.18 0.90 -0.86 0.71 -2.65 0.00 0.00 178.83 177.11 3gnq s TYR 49 N -3.36 1.98 -0.18 3.99 2.02 0.30 -1.63 117.35 120.46 3gnq s TYR 49 Ca -0.03 -0.48 -0.14 0.00 -0.37 0.00 0.00 57.07 56.05 3gnq s TYR 49 Cb 0.11 -1.29 0.05 0.00 -0.40 0.00 0.00 41.96 40.43 3gnq s TYR 49 CO 0.82 -0.11 0.47 0.34 -1.57 0.00 0.00 175.55 175.50 3gnq s ASP 50 N -0.28 -0.54 0.06 2.29 -1.08 -1.05 -4.54 116.67 111.53 3gnq s ASP 50 Ca 0.02 0.98 -0.35 0.00 -0.52 0.00 0.00 52.55 52.68 3gnq s ASP 50 Cb -0.10 0.94 -0.20 0.00 -1.46 0.00 0.00 42.92 42.10 3gnq s ASP 50 CO 0.01 -0.18 1.52 0.74 0.52 0.00 0.00 175.17 177.78 3gnq h THR 51 N 4.78 0.09 -0.37 1.71 2.02 -1.98 -0.65 112.91 118.53 3gnq h THR 51 Ca -0.30 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3gnq h THR 51 Cb 1.18 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3gnq h THR 51 CO 0.23 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.31 3gnq h ALA 52 N -1.15 0.47 -0.00 6.16 0.00 -1.97 -3.34 119.26 119.43 3gnq h ALA 52 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3gnq h ALA 52 Cb 0.92 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3gnq h ALA 52 CO 0.20 0.01 -0.52 0.72 0.00 0.00 0.00 179.25 179.66 3gnq n HIS 53 N -4.74 0.00 -1.25 0.00 8.25 -1.25 -4.99 115.22 111.24 3gnq n HIS 53 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3gnq n HIS 53 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 1.24 -1.81 3.76 -1.41 0.00 -0.25 -4.91 105.19 101.82 3gnq n GLY 54 Ca 0.03 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 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 3.48 -0.09 1.61 2.20 -1.26 -2.51 119.74 123.16 3gnq s LYS 55 Ca 0.00 1.91 -0.30 0.00 -0.36 0.00 0.00 55.97 57.22 3gnq s LYS 55 Cb 0.00 -2.29 -0.02 0.00 -1.51 0.00 0.00 37.83 34.00 3gnq s LYS 55 CO 0.00 -0.82 1.14 0.12 -0.36 0.00 0.00 175.35 175.43 3gnq s PHE 56 N -1.49 3.27 -1.35 4.03 5.36 -0.65 -4.95 117.98 122.21 3gnq s PHE 56 Ca 0.68 1.32 -0.13 0.00 -0.96 0.00 0.00 56.93 57.84 3gnq s PHE 56 Cb -0.32 -3.35 -0.04 0.00 -0.34 0.00 0.00 43.02 38.97 3gnq s PHE 56 CO 0.38 -0.98 2.39 -2.30 -1.46 0.00 0.00 175.22 173.25 3gnq n PRO 57 N 5.29 2.81 -0.31 10.12 -0.02 -1.26 -4.76 135.00 146.86 3gnq n PRO 57 Ca 0.11 -2.24 0.00 0.00 -2.02 0.00 0.00 63.50 59.34 3gnq n PRO 57 Cb 0.47 -3.00 0.00 0.00 -0.02 0.00 0.00 33.50 30.95 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 3.97 2.40 3.31 -1.23 0.00 -1.26 -5.03 105.19 107.35 3gnq n GLY 58 Ca 0.59 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 0.19 1.84 0.01 1.61 2.02 -1.26 -5.01 118.70 118.10 3gnq s GLU 59 Ca 0.00 -1.01 0.01 0.00 0.02 0.00 0.00 54.97 53.99 3gnq s GLU 59 Cb 0.00 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.30 3gnq s GLU 59 CO 0.00 0.51 -0.04 0.08 0.02 0.00 0.00 175.26 175.83 3gnq s VAL 60 N -0.72 0.26 0.05 2.63 1.01 -1.26 -1.95 120.40 120.43 3gnq s VAL 60 Ca 0.10 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 3gnq s VAL 60 Cb -0.10 -0.29 0.09 0.00 0.00 0.00 0.00 36.38 36.08 3gnq s VAL 60 CO 0.01 -0.16 0.93 -0.94 0.00 0.00 0.00 175.10 174.94 3gnq s SER 61 N -0.70 -0.28 0.10 3.32 1.04 -1.13 -5.02 113.70 111.03 3gnq s SER 61 Ca -0.05 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.26 3gnq s SER 61 Cb -0.05 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 3gnq s SER 61 CO -0.00 -0.70 0.17 -0.69 0.98 0.00 0.00 173.24 172.99 3gnq s VAL 62 N -3.14 4.93 -0.41 5.02 1.01 -1.26 -1.84 120.40 124.71 3gnq s VAL 62 Ca 0.08 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.44 3gnq s VAL 62 Cb -0.01 -3.45 0.26 0.00 0.00 0.00 0.00 36.38 33.18 3gnq s VAL 62 CO -0.05 0.04 0.55 -0.67 0.00 0.00 0.00 175.10 174.98 3gnq n ASP 63 N 0.06 0.50 0.00 3.32 -0.08 0.12 -4.92 116.55 115.55 3gnq n ASP 63 Ca -0.07 -2.77 0.00 0.00 -1.51 0.00 0.00 54.79 50.44 3gnq n ASP 63 Cb 0.52 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.34 3gnq n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gnq n GLY 64 N 1.30 1.57 0.89 0.27 0.00 -1.26 -2.25 105.19 105.71 3gnq n GLY 64 Ca 0.22 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 9.95 2.61 -4.62 1.61 10.43 -1.26 -4.71 116.55 130.56 3gnq n ASP 65 Ca 0.00 -1.91 -0.31 0.00 2.57 0.00 0.00 54.79 55.13 3gnq n ASP 65 Cb 0.00 -0.25 -0.10 0.00 1.84 0.00 0.00 41.12 42.62 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 -1.50 2.90 -0.15 1.24 1.51 -0.95 -1.87 117.35 118.53 3gnq s TYR 66 Ca 0.35 -0.04 -0.01 0.00 -1.01 0.00 0.00 57.07 56.36 3gnq s TYR 66 Cb 0.19 -1.57 -0.01 0.00 -0.11 0.00 0.00 41.96 40.46 3gnq s TYR 66 CO 0.26 0.41 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.83 3gnq s LEU 67 N -1.77 2.75 -0.29 -1.29 2.96 0.53 0.14 118.68 121.71 3gnq s LEU 67 Ca 0.20 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3gnq s LEU 67 Cb -0.11 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 44.98 3gnq s LEU 67 CO 0.11 0.13 0.00 -0.69 -1.32 0.00 0.00 176.35 174.59 3gnq s VAL 68 N 0.55 3.17 -0.34 1.68 1.01 -0.77 -0.29 120.40 125.41 3gnq s VAL 68 Ca -0.07 -1.15 -0.05 0.00 0.00 0.00 0.00 61.98 60.71 3gnq s VAL 68 Cb -0.15 -2.73 0.05 0.00 0.00 0.00 0.00 36.38 33.55 3gnq s VAL 68 CO 0.03 0.01 0.10 -0.69 0.00 0.00 0.00 175.10 174.55 3gnq s VAL 69 N 1.33 3.52 -1.14 2.92 1.01 -0.87 -2.86 120.40 124.30 3gnq s VAL 69 Ca -0.02 -1.35 -0.23 0.00 0.00 0.00 0.00 61.98 60.38 3gnq s VAL 69 Cb -0.18 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3gnq s VAL 69 CO -0.01 -0.25 0.78 0.59 0.00 0.00 0.00 175.10 176.21 3gnq n ASN 70 N 4.74 -5.17 0.00 3.32 3.02 -0.82 -2.32 115.26 118.03 3gnq n ASN 70 Ca -0.11 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 3gnq n ASN 70 Cb 0.44 -3.08 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 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 -1.75 1.78 3.50 7.41 0.00 -1.26 -4.98 105.19 109.88 3gnq n GLY 71 Ca -0.10 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3gnq n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gnq n ASP 72 N 2.98 -0.79 -4.31 1.61 9.92 -0.98 -4.98 116.55 120.00 3gnq n ASP 72 Ca 0.00 0.65 -0.32 0.00 -0.53 0.00 0.00 54.79 54.59 3gnq n ASP 72 Cb 0.00 -1.24 -0.15 0.00 -0.64 0.00 0.00 41.12 39.08 3gnq n ASP 72 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3gnq s ARG 73 N -2.66 3.02 -0.01 -1.24 3.52 -1.26 -2.06 118.95 118.26 3gnq s ARG 73 Ca 0.68 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 3gnq s ARG 73 Cb -0.38 -2.41 0.01 0.00 -1.56 0.00 0.00 34.95 30.61 3gnq s ARG 73 CO 0.55 0.28 0.01 0.42 -0.81 0.00 0.00 175.30 175.75 3gnq s ILE 74 N 0.13 0.01 0.05 4.11 1.01 0.60 -4.74 121.20 122.37 3gnq s ILE 74 Ca -0.10 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 3gnq s ILE 74 Cb -0.16 -0.05 -0.05 0.00 0.01 0.00 0.00 42.46 42.21 3gnq s ILE 74 CO 0.06 0.03 0.31 -0.60 0.00 0.00 0.00 174.94 174.74 3gnq s ARG 75 N 0.30 3.62 -0.35 2.79 3.52 -0.99 0.20 118.95 128.03 3gnq s ARG 75 Ca -0.03 -0.04 -0.07 0.00 -0.13 0.00 0.00 55.73 55.46 3gnq s ARG 75 Cb -0.04 -3.02 0.04 0.00 -1.56 0.00 0.00 34.95 30.37 3gnq s ARG 75 CO -0.01 0.60 0.13 0.08 -0.81 0.00 0.00 175.30 175.29 3gnq s VAL 76 N -1.39 3.88 0.22 7.11 1.01 -0.78 -0.34 120.40 130.11 3gnq s VAL 76 Ca 0.31 -1.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 3gnq s VAL 76 Cb -0.13 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3gnq s VAL 76 CO 0.19 -0.22 0.43 -0.76 0.00 0.00 0.00 175.10 174.74 3gnq s LEU 77 N 1.41 4.18 -0.37 3.92 1.43 0.18 -4.91 118.68 124.52 3gnq s LEU 77 Ca -0.01 0.50 0.12 0.00 -1.03 0.00 0.00 54.13 53.72 3gnq s LEU 77 Cb -0.20 -3.28 0.37 0.00 0.03 0.00 0.00 46.19 43.11 3gnq s LEU 77 CO 0.03 -0.08 0.81 0.00 0.23 0.00 0.00 176.35 177.35 3gnq n ALA 78 N -0.67 2.00 -4.04 4.21 0.00 -1.26 -2.00 120.51 118.75 3gnq n ALA 78 Ca -0.04 -3.15 -0.31 0.00 0.00 0.00 0.00 53.44 49.95 3gnq n ALA 78 Cb 0.54 -0.95 -0.16 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.43 2.84 0.55 0.00 3.84 -1.26 -4.87 114.94 113.61 3gnq s ASN 79 Ca 0.36 -0.54 0.34 0.00 0.21 0.00 0.00 52.86 53.22 3gnq s ASN 79 Cb 0.37 -1.29 1.46 0.00 -0.55 0.00 0.00 41.25 41.24 3gnq s ASN 79 CO -0.06 -0.03 2.02 0.08 -2.79 0.00 0.00 177.10 176.33 3gnq h ARG 80 N 7.98 0.00 -4.72 0.43 -0.00 -1.99 -3.41 114.38 112.67 3gnq h ARG 80 Ca -0.41 0.00 -0.68 0.00 -0.00 0.00 0.00 59.98 58.89 3gnq h ARG 80 Cb 1.14 0.00 -0.22 0.00 -0.00 0.00 0.00 29.97 30.89 3gnq h ARG 80 CO 0.57 0.04 -0.53 1.21 -0.00 0.00 0.00 179.97 181.25 3gnq s ASN 81 N -5.72 5.70 0.41 0.08 3.84 -1.26 -4.99 114.94 112.99 3gnq s ASN 81 Ca -0.00 -0.60 0.18 0.00 0.21 0.00 0.00 52.86 52.64 3gnq s ASN 81 Cb 0.10 -2.04 0.87 0.00 -0.55 0.00 0.00 41.25 39.63 3gnq s ASN 81 CO 0.54 -0.25 1.85 -0.65 -2.79 0.00 0.00 177.10 175.81 3gnq h PRO 82 N 8.40 0.00 -0.73 0.43 0.11 -1.85 -3.13 132.00 135.24 3gnq h PRO 82 Ca -0.31 0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.01 3gnq h PRO 82 Cb 1.14 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3gnq h PRO 82 CO 0.63 0.32 0.53 0.00 -0.21 0.00 0.00 178.00 179.27 3gnq h ALA 83 N 1.68 2.68 -0.18 -0.75 0.00 -1.87 -1.37 119.26 119.45 3gnq h ALA 83 Ca -0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3gnq h ALA 83 Cb 0.66 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3gnq h ALA 83 CO 0.04 -0.90 -0.17 -0.85 0.00 0.00 0.00 179.25 177.37 3gnq n GLU 84 N -4.28 1.84 -3.21 0.00 0.28 -1.18 -3.35 120.64 110.74 3gnq n GLU 84 Ca 0.14 -3.07 -0.39 0.00 -0.16 0.00 0.00 57.16 53.68 3gnq n GLU 84 Cb 0.80 -1.72 -0.06 0.00 1.43 0.00 0.00 31.44 31.89 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 -3.12 4.16 -1.20 -1.84 1.43 -0.51 -4.99 118.68 112.61 3gnq s LEU 85 Ca 0.40 0.76 -0.20 0.00 -1.03 0.00 0.00 54.13 54.06 3gnq s LEU 85 Cb 0.37 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 3gnq s LEU 85 CO -0.00 -0.19 1.88 -0.81 0.23 0.00 0.00 176.35 177.46 3gnq n PRO 86 N 4.73 2.24 0.02 1.29 -0.04 -1.26 -4.55 135.00 137.42 3gnq n PRO 86 Ca -0.04 -2.70 -0.12 0.00 -0.04 0.00 0.00 63.50 60.60 3gnq n PRO 86 Cb 0.50 -3.54 -0.14 0.00 -0.04 0.00 0.00 33.50 30.29 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 8.52 0.17 -0.17 0.54 -0.00 -1.77 -3.29 115.95 119.95 3gnq h TRP 87 Ca 0.34 -0.13 -0.00 0.00 -0.00 0.00 0.00 58.89 59.10 3gnq h TRP 87 Cb 0.87 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 30.01 3gnq h TRP 87 CO 1.31 1.19 0.09 0.78 -0.00 0.00 0.00 178.44 181.80 3gnq h GLY 88 N 2.67 0.25 0.71 1.49 0.00 -0.86 0.28 103.07 107.61 3gnq h GLY 88 Ca -0.24 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.03 3gnq h GLY 88 CO 0.11 0.11 0.41 -2.09 0.00 0.00 0.00 176.54 175.09 3gnq h GLU 89 N 0.16 0.74 0.00 4.80 4.81 -1.86 -1.63 114.58 121.60 3gnq h GLU 89 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3gnq h GLU 89 Cb 0.09 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3gnq h GLU 89 CO -0.01 0.49 0.00 -0.07 -0.73 0.00 0.00 179.01 178.69 3gnq h LEU 90 N 0.76 0.00 -2.62 1.64 3.38 -1.58 -3.48 115.31 113.42 3gnq h LEU 90 Ca 0.31 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.16 3gnq h LEU 90 Cb 0.17 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.02 3gnq h LEU 90 CO -0.17 0.00 -0.44 0.61 0.09 0.00 0.00 178.44 178.53 3gnq n GLY 91 N 0.83 -0.60 3.70 0.83 0.00 0.80 -4.99 105.19 105.77 3gnq n GLY 91 Ca 0.04 0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.20 5.06 -0.25 1.61 1.01 -0.19 -4.92 120.40 119.52 3gnq s VAL 92 Ca 0.23 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.57 3gnq s VAL 92 Cb -0.03 -3.99 -0.18 0.00 0.00 0.00 0.00 36.38 32.18 3gnq s VAL 92 CO 0.50 0.22 -0.17 0.47 0.00 0.00 0.00 175.10 176.12 3gnq n ASP 93 N 4.10 1.86 -3.87 3.32 9.92 -1.22 -3.29 116.55 127.37 3gnq n ASP 93 Ca -0.02 -0.11 -0.25 0.00 -0.53 0.00 0.00 54.79 53.89 3gnq n ASP 93 Cb 0.51 -0.35 -0.17 0.00 -0.64 0.00 0.00 41.12 40.47 3gnq n ASP 93 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3gnq s VAL 94 N -2.52 0.76 -0.30 2.53 1.01 -0.76 -1.37 120.40 119.75 3gnq s VAL 94 Ca -0.32 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 3gnq s VAL 94 Cb 0.09 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 3gnq s VAL 94 CO 0.63 0.32 0.34 -0.69 0.00 0.00 0.00 175.10 175.69 3gnq s VAL 95 N 1.65 5.19 -0.48 2.92 1.01 -0.80 -0.71 120.40 129.18 3gnq s VAL 95 Ca 0.02 0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 3gnq s VAL 95 Cb -0.13 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.57 3gnq s VAL 95 CO -0.06 0.07 0.82 -0.04 0.00 0.00 0.00 175.10 175.90 3gnq s MET 96 N 2.00 3.37 -0.42 2.72 -1.94 0.09 -0.97 119.30 124.15 3gnq s MET 96 Ca 0.12 -0.19 -0.21 0.00 -1.71 0.00 0.00 55.69 53.71 3gnq s MET 96 Cb -0.16 -3.98 0.02 0.00 2.01 0.00 0.00 34.83 32.72 3gnq s MET 96 CO 0.11 -1.22 0.64 -2.00 -0.01 0.00 0.00 175.02 172.53 3gnq s GLU 97 N 3.43 3.38 -0.11 2.03 2.56 0.58 -2.34 118.70 128.22 3gnq s GLU 97 Ca 0.29 -0.27 0.21 0.00 0.00 0.00 0.00 54.97 55.20 3gnq s GLU 97 Cb -0.13 -3.91 0.45 0.00 2.00 0.00 0.00 34.13 32.54 3gnq s GLU 97 CO 0.21 -0.94 1.17 0.00 -0.56 0.00 0.00 175.26 175.15 3gnq n THR 99 N -0.13 1.18 -0.04 0.00 -2.24 -1.24 -4.58 114.28 107.23 3gnq n THR 99 Ca 0.12 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3gnq n THR 99 Cb 0.98 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.46 0.81 0.04 3.38 0.00 -1.26 -4.93 105.19 104.70 3gnq n GLY 100 Ca -0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.10 1.61 3.01 -1.26 -4.76 117.46 110.96 3gnq n PHE 101 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 3gnq n PHE 101 Cb 0.00 -0.57 -0.05 0.00 -0.01 0.00 0.00 39.48 38.85 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 -2.32 3.34 1.00 1.38 3.72 -1.26 -4.89 117.46 118.43 3gnq n PHE 102 Ca -0.14 -4.00 0.11 0.00 -0.05 0.00 0.00 57.45 53.37 3gnq n PHE 102 Cb 0.71 -0.49 0.01 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.17 0.00 -2.84 4.37 -2.24 -1.26 -4.06 114.28 108.41 3gnq n THR 103 Ca 0.30 -0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.87 3gnq n THR 103 Cb 0.43 0.76 0.03 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.97 5.38 0.10 3.42 1.04 -1.26 -3.82 113.70 115.59 3gnq s SER 104 Ca 0.10 -0.29 -0.17 0.00 0.48 0.00 0.00 55.95 56.06 3gnq s SER 104 Cb 0.17 -0.62 -0.07 0.00 0.10 0.00 0.00 66.02 65.60 3gnq s SER 104 CO 0.80 -1.03 1.51 0.50 0.98 0.00 0.00 173.24 176.01 3gnq h LYS 105 N 0.31 0.55 -0.55 4.02 3.64 -1.88 -1.20 116.57 121.45 3gnq h LYS 105 Ca -0.40 -0.19 0.06 0.00 -1.27 0.00 0.00 60.65 58.85 3gnq h LYS 105 Cb 1.29 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 3gnq h LYS 105 CO 0.47 0.72 -0.56 0.93 -2.27 0.00 0.00 179.45 178.74 3gnq h GLU 106 N 0.32 -0.29 0.01 1.90 4.39 -1.96 0.27 114.58 119.22 3gnq h GLU 106 Ca 0.08 0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.60 3gnq h GLU 106 Cb 0.49 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 3gnq h GLU 106 CO 0.02 -0.19 -0.91 0.87 -1.16 0.00 0.00 179.01 177.64 3gnq h LYS 107 N -0.30 0.08 0.00 2.33 1.57 -1.90 -3.09 116.57 115.27 3gnq h LYS 107 Ca 0.10 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 3gnq h LYS 107 Cb 0.55 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 3gnq h LYS 107 CO -0.68 0.93 -0.52 0.00 -0.57 0.00 0.00 179.45 178.61 3gnq h ALA 108 N 1.03 0.97 0.00 3.86 0.00 -0.96 -3.09 119.26 121.07 3gnq h ALA 108 Ca -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3gnq h ALA 108 Cb 1.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3gnq h ALA 108 CO 0.13 0.65 0.00 0.43 0.00 0.00 0.00 179.25 180.46 3gnq n SER 109 N -3.68 0.46 0.29 0.00 7.64 0.92 -1.67 113.62 117.57 3gnq n SER 109 Ca -0.01 0.67 0.19 0.00 1.01 0.00 0.00 58.87 60.74 3gnq n SER 109 Cb 0.58 -0.75 0.94 0.00 -1.01 0.00 0.00 64.21 63.97 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 2.11 1.00 -0.18 -0.43 0.00 -1.68 -1.05 119.26 119.03 3gnq h ALA 110 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3gnq h ALA 110 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gnq h ALA 110 CO 0.00 0.00 -0.52 0.45 0.00 0.00 0.00 179.25 179.18 3gnq h HIS 111 N 0.00 0.63 -0.19 0.00 3.86 -1.56 -2.70 115.15 115.19 3gnq h HIS 111 Ca 0.00 -0.21 -0.14 0.00 -1.16 0.00 0.00 60.37 58.85 3gnq h HIS 111 Cb 0.20 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3gnq h HIS 111 CO 0.00 0.92 -0.47 -0.07 0.86 0.00 0.00 177.93 179.17 3gnq h LEU 112 N 0.40 0.54 -1.44 2.43 4.07 -1.37 -2.64 115.31 117.29 3gnq h LEU 112 Ca 0.01 -0.26 -0.06 0.00 0.08 0.00 0.00 57.88 57.66 3gnq h LEU 112 Cb 1.05 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 3gnq h LEU 112 CO 0.10 0.93 -0.24 0.11 -1.08 0.00 0.00 178.44 178.26 3gnq h LYS 113 N 0.40 0.06 0.00 1.13 6.56 -1.45 -0.10 116.57 123.17 3gnq h LYS 113 Ca 0.02 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3gnq h LYS 113 Cb 0.98 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.63 3gnq h LYS 113 CO 0.09 0.30 -0.02 0.78 -2.06 0.00 0.00 179.45 178.53 3gnq h GLY 114 N 0.79 0.00 0.00 3.86 0.00 -1.17 -3.47 103.07 103.08 3gnq h GLY 114 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3gnq h GLY 114 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 3gnq n GLY 115 N -0.36 0.75 3.26 4.60 0.00 -0.06 -2.34 105.19 111.05 3gnq n GLY 115 Ca -0.01 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.95 -0.94 0.00 4.61 0.00 -1.19 -1.48 121.76 121.81 3gnq s ALA 116 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3gnq s ALA 116 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.47 3gnq s ALA 116 CO 0.00 -0.19 0.32 1.63 0.00 0.00 0.00 175.76 177.53 3gnq n LYS 117 N 3.02 0.00 -4.08 0.00 5.02 -1.21 -4.48 118.16 116.43 3gnq n LYS 117 Ca -0.14 0.15 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 3gnq n LYS 117 Cb 0.57 -0.82 -0.06 0.00 -0.02 0.00 0.00 35.03 34.70 3gnq n LYS 117 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3gnq s LYS 118 N -0.64 2.33 0.00 1.97 3.01 -0.47 -4.88 119.74 121.05 3gnq s LYS 118 Ca 0.00 -1.64 0.01 0.00 -1.01 0.00 0.00 55.97 53.33 3gnq s LYS 118 Cb 0.00 -2.13 -0.00 0.00 -1.01 0.00 0.00 37.83 34.69 3gnq s LYS 118 CO 0.00 0.03 -0.02 0.08 0.51 0.00 0.00 175.35 175.95 3gnq s VAL 119 N -2.48 0.14 -0.17 3.17 1.01 0.39 -1.91 120.40 120.55 3gnq s VAL 119 Ca 0.39 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.20 3gnq s VAL 119 Cb -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.25 3gnq s VAL 119 CO 0.23 -0.03 -0.17 -0.63 0.00 0.00 0.00 175.10 174.50 3gnq s ILE 120 N -0.22 1.83 -0.22 2.22 1.01 -0.15 -1.76 121.20 123.91 3gnq s ILE 120 Ca -0.01 -0.81 -0.24 0.00 0.00 0.00 0.00 60.65 59.59 3gnq s ILE 120 Cb -0.02 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 3gnq s ILE 120 CO -0.00 0.49 0.79 -0.63 0.00 0.00 0.00 174.94 175.59 3gnq s ILE 121 N 1.38 4.88 -0.71 2.92 1.01 0.17 -0.31 121.20 130.54 3gnq s ILE 121 Ca 0.05 1.50 -0.07 0.00 0.00 0.00 0.00 60.65 62.12 3gnq s ILE 121 Cb -0.13 -4.08 -0.16 0.00 0.01 0.00 0.00 42.46 38.10 3gnq s ILE 121 CO -0.12 -0.02 3.25 -1.54 0.00 0.00 0.00 174.94 176.52 3gnq n SER 122 N 5.69 6.81 -3.59 3.58 3.41 -0.59 -1.71 113.62 127.22 3gnq n SER 122 Ca 0.04 -2.60 0.02 0.00 -0.26 0.00 0.00 58.87 56.06 3gnq n SER 122 Cb 0.48 -1.46 -0.01 0.00 -0.26 0.00 0.00 64.21 62.97 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 1.13 -2.39 0.45 7.33 0.00 -1.21 -4.95 121.76 122.11 3gnq s ALA 123 Ca 0.67 1.29 -0.25 0.00 0.00 0.00 0.00 51.96 53.66 3gnq s ALA 123 Cb 0.26 0.01 -0.08 0.00 0.00 0.00 0.00 23.12 23.32 3gnq s ALA 123 CO -0.04 -0.88 1.38 -2.14 0.00 0.00 0.00 175.76 174.07 3gnq s PRO 124 N -2.05 3.73 0.49 0.00 0.02 -1.20 -3.99 135.00 132.00 3gnq s PRO 124 Ca 0.14 2.31 0.03 0.00 0.02 0.00 0.00 61.00 63.50 3gnq s PRO 124 Cb 0.05 -2.65 0.02 0.00 0.02 0.00 0.00 34.50 31.94 3gnq s PRO 124 CO -0.05 -0.74 0.69 0.20 -0.33 0.00 0.00 177.00 176.76 3gnq s GLY 125 N -0.64 1.82 0.68 0.52 0.00 -1.26 -4.91 107.32 103.53 3gnq s GLY 125 Ca 0.61 -1.40 -0.12 0.00 0.00 0.00 0.00 44.72 43.81 3gnq s GLY 125 CO 0.53 -1.17 1.07 -0.32 0.00 0.00 0.00 173.10 173.21 3gnq s GLY 126 N -4.37 1.79 0.30 0.20 0.00 -1.25 -4.92 107.32 99.08 3gnq s GLY 126 Ca 0.55 0.20 0.08 0.00 0.00 0.00 0.00 44.72 45.55 3gnq s GLY 126 CO 0.36 0.52 1.06 0.28 0.00 0.00 0.00 173.10 175.33 3gnq n LYS 127 N -2.91 0.06 -0.03 2.90 4.01 -1.26 -2.02 118.16 118.91 3gnq n LYS 127 Ca 0.08 0.50 0.13 0.00 -0.51 0.00 0.00 58.31 58.51 3gnq n LYS 127 Cb 0.53 -2.13 0.27 0.00 -0.51 0.00 0.00 35.03 33.19 3gnq n LYS 127 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 3gnq n ASP 128 N -1.88 2.48 -4.78 4.39 5.75 -1.26 -4.97 116.55 116.28 3gnq n ASP 128 Ca -0.01 -1.82 -0.34 0.00 -0.01 0.00 0.00 54.79 52.62 3gnq n ASP 128 Cb 0.46 -0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.53 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 -1.93 3.29 0.19 2.12 -7.23 -0.85 -4.79 120.40 111.21 3gnq s VAL 129 Ca 0.33 0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 61.08 3gnq s VAL 129 Cb 0.20 -3.24 0.10 0.00 0.56 0.00 0.00 36.38 34.01 3gnq s VAL 129 CO 0.31 -0.27 1.82 0.44 -0.31 0.00 0.00 175.10 177.09 3gnq h ASP 130 N 0.71 0.56 -4.96 4.85 3.32 -1.39 -3.46 116.42 116.05 3gnq h ASP 130 Ca -0.48 0.01 0.09 0.00 0.02 0.00 0.00 57.03 56.66 3gnq h ASP 130 Cb 1.25 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 40.58 3gnq h ASP 130 CO 0.56 0.39 0.38 0.00 -1.72 0.00 0.00 179.24 178.85 3gnq s ALA 131 N -6.13 -1.63 -0.21 3.45 0.00 -1.26 -5.04 121.76 110.94 3gnq s ALA 131 Ca -0.13 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.30 3gnq s ALA 131 Cb 0.14 0.66 0.05 0.00 0.00 0.00 0.00 23.12 23.97 3gnq s ALA 131 CO 0.75 -0.85 -0.07 0.99 0.00 0.00 0.00 175.76 176.58 3gnq s THR 132 N -3.44 1.51 -0.17 0.00 2.01 -1.26 -0.44 115.64 113.85 3gnq s THR 132 Ca 0.07 -1.03 -0.00 0.00 0.31 0.00 0.00 61.69 61.04 3gnq s THR 132 Cb -0.02 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.82 3gnq s THR 132 CO -0.05 0.06 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.16 3gnq s ILE 133 N 1.44 2.63 -0.53 1.82 -1.09 0.44 -4.63 121.20 121.28 3gnq s ILE 133 Ca -0.03 -0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 57.46 3gnq s ILE 133 Cb -0.17 -2.12 0.12 0.00 -1.58 0.00 0.00 42.46 38.71 3gnq s ILE 133 CO -0.07 0.51 0.49 -0.69 -1.23 0.00 0.00 174.94 173.94 3gnq s VAL 134 N 0.96 5.20 0.19 2.92 1.01 -1.26 -3.96 120.40 125.47 3gnq s VAL 134 Ca -0.02 -1.45 -0.33 0.00 0.00 0.00 0.00 61.98 60.17 3gnq s VAL 134 Cb -0.15 -4.31 -0.14 0.00 0.00 0.00 0.00 36.38 31.78 3gnq s VAL 134 CO -0.03 -0.84 1.41 0.00 0.00 0.00 0.00 175.10 175.64 3gnq n TYR 135 N 5.24 2.00 -0.08 5.22 9.36 -1.26 -1.59 117.16 136.05 3gnq n TYR 135 Ca -0.14 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.53 3gnq n TYR 135 Cb 0.40 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 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 2.48 0.82 0.03 2.98 0.00 -1.26 -4.82 105.19 105.42 3gnq n GLY 136 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 0.35 -2.53 1.61 0.31 -0.62 -4.89 118.33 110.57 3gnq n VAL 137 Ca 0.00 -0.14 -0.02 0.00 -0.01 0.00 0.00 64.34 64.17 3gnq n VAL 137 Cb 0.00 -0.73 0.05 0.00 -0.91 0.00 0.00 33.84 32.25 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 -2.65 -0.19 0.00 4.52 6.94 -1.11 -4.93 115.26 117.83 3gnq n ASN 138 Ca -0.11 -2.08 0.06 0.00 -0.02 0.00 0.00 54.58 52.43 3gnq n ASN 138 Cb 0.62 0.14 0.36 0.00 -2.36 0.00 0.00 39.78 38.54 3gnq n ASN 138 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gnq n HIS 139 N -0.61 0.00 0.12 -2.53 1.44 -1.26 -3.64 115.22 108.74 3gnq n HIS 139 Ca -0.10 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.38 3gnq n HIS 139 Cb 0.86 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.82 3gnq n HIS 139 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 3gnq h ASP 140 N 0.00 0.71 0.00 4.39 5.19 -1.97 -3.30 116.42 121.44 3gnq h ASP 140 Ca 0.00 -0.82 0.00 0.00 -0.62 0.00 0.00 57.03 55.59 3gnq h ASP 140 Cb 0.00 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.28 3gnq h ASP 140 CO 0.00 1.65 0.07 1.33 -3.12 0.00 0.00 179.24 179.17 3gnq n VAL 141 N -3.65 0.53 -2.18 -1.35 0.24 -1.24 -4.65 118.33 106.04 3gnq n VAL 141 Ca -0.17 0.20 -0.37 0.00 -2.04 0.00 0.00 64.34 61.96 3gnq n VAL 141 Cb 1.08 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 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 -2.06 3.97 -0.01 1.34 1.43 -1.24 -5.05 118.68 117.06 3gnq s LEU 142 Ca 0.00 2.37 -0.14 0.00 -1.03 0.00 0.00 54.13 55.33 3gnq s LEU 142 Cb 0.00 -4.27 0.02 0.00 0.03 0.00 0.00 46.19 41.97 3gnq s LEU 142 CO 0.00 -1.05 0.30 -0.54 0.23 0.00 0.00 176.35 175.29 3gnq s LYS 143 N -2.77 0.68 0.36 1.70 1.02 -1.26 -4.32 119.74 115.14 3gnq s LYS 143 Ca 0.66 -0.25 0.26 0.00 0.02 0.00 0.00 55.97 56.66 3gnq s LYS 143 Cb -0.30 0.30 1.24 0.00 -0.52 0.00 0.00 37.83 38.54 3gnq s LYS 143 CO 0.36 -0.19 1.79 0.00 -0.92 0.00 0.00 175.35 176.39 3gnq h ALA 144 N 3.80 1.00 -0.26 5.17 0.00 -1.90 -1.62 119.26 125.45 3gnq h ALA 144 Ca -0.30 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 3gnq h ALA 144 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3gnq h ALA 144 CO 0.41 0.00 -0.26 1.49 0.00 0.00 0.00 179.25 180.89 3gnq h GLU 145 N 0.00 0.50 -6.26 0.00 4.81 -1.96 -3.45 114.58 108.21 3gnq h GLU 145 Ca 0.00 -0.19 -0.55 0.00 -0.13 0.00 0.00 59.36 58.49 3gnq h GLU 145 Cb 0.22 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3gnq h GLU 145 CO 0.00 0.72 1.01 -1.01 -0.73 0.00 0.00 179.01 179.00 3gnq s HIS 146 N -4.48 2.31 -0.16 0.92 3.76 -0.61 -4.92 115.29 112.11 3gnq s HIS 146 Ca -0.07 0.46 0.14 0.00 -0.15 0.00 0.00 55.06 55.44 3gnq s HIS 146 Cb 0.14 -3.79 -0.20 0.00 1.11 0.00 0.00 32.58 29.83 3gnq s HIS 146 CO 0.79 -3.20 0.05 0.25 -0.85 0.00 0.00 174.74 171.79 3gnq n THR 147 N 5.30 1.13 -3.67 1.30 -2.24 -1.26 -4.89 114.28 109.95 3gnq n THR 147 Ca 0.16 -0.68 -0.29 0.00 -2.27 0.00 0.00 64.05 60.96 3gnq n THR 147 Cb 0.43 -0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 67.92 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 -2.40 0.55 0.45 2.28 1.01 -1.26 0.15 120.40 121.18 3gnq s VAL 148 Ca -0.09 -1.15 0.06 0.00 0.00 0.00 0.00 61.98 60.80 3gnq s VAL 148 Cb 0.05 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3gnq s VAL 148 CO 0.66 -0.67 0.17 0.27 0.00 0.00 0.00 175.10 175.54 3gnq s ILE 149 N 1.79 2.00 -0.04 2.22 -4.36 -0.72 -0.90 121.20 121.17 3gnq s ILE 149 Ca 0.09 -1.74 0.07 0.00 -0.26 0.00 0.00 60.65 58.80 3gnq s ILE 149 Cb -0.17 -2.74 -0.01 0.00 1.25 0.00 0.00 42.46 40.79 3gnq s ILE 149 CO -0.28 0.00 -0.25 -0.55 0.24 0.00 0.00 174.94 174.10 3gnq s SER 150 N -3.94 3.01 -0.05 4.36 0.15 0.41 -0.66 113.70 116.98 3gnq s SER 150 Ca 0.34 -0.49 0.10 0.00 0.70 0.00 0.00 55.95 56.60 3gnq s SER 150 Cb 0.03 -0.67 0.37 0.00 -1.71 0.00 0.00 66.02 64.05 3gnq s SER 150 CO 0.19 0.26 1.21 -3.20 1.20 0.00 0.00 173.24 172.91 3gnq n ASN 151 N 2.80 2.64 0.00 5.45 5.15 -0.69 -0.42 115.26 130.18 3gnq n ASN 151 Ca -0.17 -2.21 0.00 0.00 -0.60 0.00 0.00 54.58 51.60 3gnq n ASN 151 Cb 0.52 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 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 0.48 0.00 -2.52 5.20 0.00 -1.25 -4.71 120.51 117.70 3gnq n ALA 152 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.34 3gnq n ALA 152 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 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 4.54 0.25 0.00 1.04 -1.26 -3.22 113.70 111.05 3gnq s SER 153 Ca 0.00 -0.83 -0.05 0.00 0.48 0.00 0.00 55.95 55.54 3gnq s SER 153 Cb 0.00 -0.67 0.47 0.00 0.10 0.00 0.00 66.02 65.92 3gnq s SER 153 CO 0.00 -0.28 1.65 0.00 0.98 0.00 0.00 173.24 175.59 3gnq h THR 155 N 0.17 1.26 -0.27 0.00 2.02 -1.95 -2.54 112.91 111.60 3gnq h THR 155 Ca 0.43 -0.96 -0.14 0.00 0.77 0.00 0.00 66.41 66.51 3gnq h THR 155 Cb 0.76 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3gnq h THR 155 CO -0.61 0.37 -0.37 0.74 0.37 0.00 0.00 175.52 176.02 3gnq h THR 156 N 1.04 1.30 0.00 3.16 2.02 -1.51 -0.66 112.91 118.27 3gnq h THR 156 Ca 0.22 -1.56 -0.00 0.00 0.77 0.00 0.00 66.41 65.84 3gnq h THR 156 Cb 0.37 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3gnq h THR 156 CO 0.00 0.50 -0.00 0.78 0.37 0.00 0.00 175.52 177.17 3gnq h ASN 157 N 0.47 0.00 0.18 4.18 2.35 -1.01 -2.24 115.58 119.50 3gnq h ASN 157 Ca 0.03 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.44 3gnq h ASN 157 Cb 0.96 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.33 3gnq h ASN 157 CO 0.09 0.00 -1.69 0.00 -1.65 0.00 0.00 177.43 174.18 3gnq h LEU 159 N 0.04 0.97 0.77 0.00 5.85 -0.95 -3.23 115.31 118.77 3gnq h LEU 159 Ca -0.34 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 57.87 3gnq h LEU 159 Cb 2.05 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 42.81 3gnq h LEU 159 CO 0.16 1.25 -0.37 0.00 -0.34 0.00 0.00 178.44 179.14 3gnq h ALA 160 N 0.75 -1.04 -0.33 1.25 0.00 -1.60 -0.57 119.26 117.72 3gnq h ALA 160 Ca 0.05 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3gnq h ALA 160 Cb 0.99 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3gnq h ALA 160 CO 0.10 -1.06 0.28 -1.35 0.00 0.00 0.00 179.25 177.21 3gnq h PRO 161 N -1.08 0.00 -0.20 0.00 0.11 -1.75 -1.02 132.00 128.06 3gnq h PRO 161 Ca -0.11 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.91 3gnq h PRO 161 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 3gnq h PRO 161 CO 0.17 0.00 -0.24 1.25 -0.21 0.00 0.00 178.00 178.97 3gnq h LEU 162 N 0.00 0.56 0.09 2.35 6.46 -1.42 -3.34 115.31 120.00 3gnq h LEU 162 Ca 0.16 -0.50 -0.27 0.00 -0.12 0.00 0.00 57.88 57.15 3gnq h LEU 162 Cb 0.70 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 3gnq h LEU 162 CO -0.00 0.94 -1.30 1.62 -0.62 0.00 0.00 178.44 179.08 3gnq h VAL 163 N 0.19 1.40 0.05 1.05 3.04 0.08 -3.39 116.25 118.68 3gnq h VAL 163 Ca 0.03 -3.04 0.02 0.00 -1.01 0.00 0.00 66.70 62.70 3gnq h VAL 163 Cb 0.80 2.83 -0.04 0.00 -2.01 0.00 0.00 31.29 32.88 3gnq h VAL 163 CO 0.06 0.86 -0.23 0.50 -1.01 0.00 0.00 177.57 177.75 3gnq h LYS 164 N 0.05 -0.38 -0.10 4.17 3.64 -1.36 0.10 116.57 122.69 3gnq h LYS 164 Ca -0.15 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 3gnq h LYS 164 Cb 1.94 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.83 3gnq h LYS 164 CO 0.17 -0.25 -0.35 -1.35 -2.27 0.00 0.00 179.45 175.39 3gnq h PRO 165 N -0.39 0.20 -0.15 1.90 0.11 -1.77 0.35 132.00 132.25 3gnq h PRO 165 Ca 0.05 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 3gnq h PRO 165 Cb 0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3gnq h PRO 165 CO -0.17 0.53 -0.40 -0.07 -0.21 0.00 0.00 178.00 177.68 3gnq h LEU 166 N 0.17 0.36 0.03 2.35 3.38 -1.61 -1.50 115.31 118.50 3gnq h LEU 166 Ca 0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3gnq h LEU 166 Cb 0.71 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3gnq h LEU 166 CO 0.05 0.73 -0.01 -1.13 0.09 0.00 0.00 178.44 178.17 3gnq h ASN 167 N 0.29 -0.03 -0.52 -0.43 -1.24 -0.16 -0.68 115.58 112.81 3gnq h ASN 167 Ca 0.03 -0.43 0.09 0.00 0.71 0.00 0.00 56.30 56.70 3gnq h ASN 167 Cb 0.83 0.01 -0.07 0.00 0.73 0.00 0.00 38.32 39.82 3gnq h ASN 167 CO 0.07 0.42 0.12 0.44 -1.29 0.00 0.00 177.43 177.18 3gnq h ASP 168 N -0.49 0.03 0.00 1.15 3.32 -0.23 -1.84 116.42 118.36 3gnq h ASP 168 Ca -0.00 0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 3gnq h ASP 168 Cb 0.46 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3gnq h ASP 168 CO 0.01 0.04 -2.00 0.29 -1.72 0.00 0.00 179.24 175.86 3gnq n LYS 169 N -5.10 0.69 -0.02 3.56 4.76 -0.57 -4.68 118.16 116.81 3gnq n LYS 169 Ca 0.06 -0.14 -0.02 0.00 -2.87 0.00 0.00 58.31 55.34 3gnq n LYS 169 Cb 0.25 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.95 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 -2.31 0.19 -0.25 -0.18 5.41 -0.39 -5.08 119.36 116.75 3gnq n ILE 170 Ca -0.10 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.57 3gnq n ILE 170 Cb 0.66 -0.70 0.00 0.00 -0.71 0.00 0.00 39.64 38.89 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 3.21 -1.31 3.46 7.39 0.00 -0.45 -4.00 105.19 113.50 3gnq n GLY 171 Ca -0.05 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.04 3.60 -0.06 0.99 0.20 -1.26 -0.99 118.68 121.12 3gnq s LEU 172 Ca 0.00 -0.22 -0.03 0.00 0.69 0.00 0.00 54.13 54.56 3gnq s LEU 172 Cb 0.00 -1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.78 3gnq s LEU 172 CO 0.00 -0.06 0.16 -0.08 -0.29 0.00 0.00 176.35 176.08 3gnq h GLU 173 N 8.27 -0.11 -4.22 1.98 4.81 -1.20 -3.48 114.58 120.64 3gnq h GLU 173 Ca -0.37 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.74 3gnq h GLU 173 Cb 1.17 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.43 3gnq h GLU 173 CO 0.58 -0.07 -0.61 0.95 -0.73 0.00 0.00 179.01 179.12 3gnq s THR 174 N -1.85 0.17 0.02 0.32 -4.23 -1.25 -4.92 115.64 103.90 3gnq s THR 174 Ca -0.02 -1.73 -0.11 0.00 -1.18 0.00 0.00 61.69 58.65 3gnq s THR 174 Cb 0.00 -1.66 0.01 0.00 1.34 0.00 0.00 72.50 72.20 3gnq s THR 174 CO 0.05 -0.77 0.22 -0.83 -0.54 0.00 0.00 174.62 172.75 3gnq s GLY 175 N -2.95 -0.02 -0.03 3.99 0.00 -0.38 -0.91 107.32 107.02 3gnq s GLY 175 Ca 0.12 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.79 3gnq s GLY 175 CO -0.06 -0.25 -0.08 1.08 0.00 0.00 0.00 173.10 173.79 3gnq s LEU 176 N -1.74 1.67 -0.06 0.66 1.43 0.43 -1.86 118.68 119.22 3gnq s LEU 176 Ca -0.09 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 3gnq s LEU 176 Cb -0.04 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.63 3gnq s LEU 176 CO -0.01 0.03 -0.16 -0.32 0.23 0.00 0.00 176.35 176.13 3gnq s MET 177 N 0.40 2.56 -0.17 1.70 -2.45 0.64 -1.73 119.30 120.25 3gnq s MET 177 Ca -0.06 -0.72 -0.01 0.00 -1.25 0.00 0.00 55.69 53.65 3gnq s MET 177 Cb -0.10 -2.37 -0.00 0.00 1.25 0.00 0.00 34.83 33.61 3gnq s MET 177 CO 0.01 0.57 -0.13 0.99 1.05 0.00 0.00 175.02 177.51 3gnq s THR 178 N -0.59 2.81 -0.19 10.11 2.01 -0.55 -1.14 115.64 128.10 3gnq s THR 178 Ca 0.09 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.30 3gnq s THR 178 Cb -0.11 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 3gnq s THR 178 CO 0.01 0.50 0.07 0.28 -0.69 0.00 0.00 174.62 174.79 3gnq s THR 179 N 0.96 4.79 -0.40 -0.82 -1.32 -0.54 -0.97 115.64 117.35 3gnq s THR 179 Ca -0.02 -0.03 -0.16 0.00 -1.21 0.00 0.00 61.69 60.27 3gnq s THR 179 Cb -0.15 -3.17 0.01 0.00 -1.51 0.00 0.00 72.50 67.69 3gnq s THR 179 CO -0.02 0.45 0.37 -0.63 -2.21 0.00 0.00 174.62 172.58 3gnq s ILE 180 N 0.46 5.17 -0.04 5.08 1.01 0.04 -0.05 121.20 132.86 3gnq s ILE 180 Ca 0.03 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.39 3gnq s ILE 180 Cb -0.13 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 3gnq s ILE 180 CO 0.01 -0.30 -0.18 -2.28 0.00 0.00 0.00 174.94 172.19 3gnq s HIS 181 N 1.96 1.80 0.78 3.97 2.46 -0.35 -0.89 115.29 125.02 3gnq s HIS 181 Ca 0.10 -0.49 -0.15 0.00 0.47 0.00 0.00 55.06 54.99 3gnq s HIS 181 Cb -0.17 -1.20 -0.00 0.00 -0.13 0.00 0.00 32.58 31.08 3gnq s HIS 181 CO 0.12 -0.15 0.65 0.00 -2.47 0.00 0.00 174.74 172.90 3gnq n ALA 182 N 3.02 -1.37 -1.51 1.58 0.00 -1.20 -1.39 120.51 119.64 3gnq n ALA 182 Ca -0.17 -0.32 -0.32 0.00 0.00 0.00 0.00 53.44 52.62 3gnq n ALA 182 Cb 0.53 -1.93 0.05 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.03 2.80 0.44 0.00 -0.85 -0.55 -4.71 117.35 112.45 3gnq s TYR 183 Ca 0.66 1.52 0.04 0.00 -0.52 0.00 0.00 57.07 58.76 3gnq s TYR 183 Cb -0.31 -3.05 -0.02 0.00 0.38 0.00 0.00 41.96 38.96 3gnq s TYR 183 CO 0.58 -1.47 0.12 0.95 -1.52 0.00 0.00 175.55 174.22 3gnq s THR 184 N -2.61 0.60 -1.38 -3.49 -4.23 -1.26 -4.76 115.64 98.51 3gnq s THR 184 Ca 0.63 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.37 3gnq s THR 184 Cb -0.17 -2.27 0.38 0.00 1.34 0.00 0.00 72.50 71.78 3gnq s THR 184 CO 0.45 0.00 1.75 0.59 -0.54 0.00 0.00 174.62 176.87 3gnq n ASN 185 N -1.40 0.00 -0.03 3.99 3.02 -1.26 -1.93 115.26 117.65 3gnq n ASN 185 Ca -0.08 0.02 0.15 0.00 -0.03 0.00 0.00 54.58 54.64 3gnq n ASN 185 Cb 0.65 -0.31 0.88 0.00 -0.61 0.00 0.00 39.78 40.40 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 -1.31 0.10 -4.97 6.41 3.85 -1.26 -4.88 116.55 114.50 3gnq n ASP 186 Ca 0.10 -1.07 -0.20 0.00 -0.71 0.00 0.00 54.79 52.91 3gnq n ASP 186 Cb 0.19 -0.00 0.07 0.00 -1.35 0.00 0.00 41.12 40.03 3gnq n ASP 186 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3gnq s GLN 187 N -2.00 2.14 0.17 0.11 -0.21 -0.81 -4.98 119.66 114.08 3gnq s GLN 187 Ca 0.45 -1.59 0.10 0.00 0.02 0.00 0.00 55.36 54.35 3gnq s GLN 187 Cb 0.21 -2.58 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 3gnq s GLN 187 CO 0.35 -1.02 -0.21 0.14 -2.12 0.00 0.00 175.29 172.43 3gnq s VAL 188 N -2.78 2.07 -0.04 1.09 -7.23 -1.25 -5.01 120.40 107.25 3gnq s VAL 188 Ca 0.63 -1.93 -0.23 0.00 -1.81 0.00 0.00 61.98 58.65 3gnq s VAL 188 Cb -0.05 -1.95 -0.26 0.00 0.56 0.00 0.00 36.38 34.68 3gnq s VAL 188 CO 0.40 -0.18 0.99 -0.07 -0.31 0.00 0.00 175.10 175.94 3gnq h LEU 189 N 3.33 0.37 -7.96 1.32 3.38 -1.95 -0.99 115.31 112.81 3gnq h LEU 189 Ca -0.45 -0.84 -0.24 0.00 0.09 0.00 0.00 57.88 56.45 3gnq h LEU 189 Cb 1.20 -0.11 -0.24 0.00 0.09 0.00 0.00 40.66 41.60 3gnq h LEU 189 CO 0.48 1.16 -0.72 0.28 0.09 0.00 0.00 178.44 179.73 3gnq s THR 190 N -2.89 0.25 -0.27 0.22 -1.32 -1.26 -4.36 115.64 105.99 3gnq s THR 190 Ca -0.15 -0.64 -0.44 0.00 -1.21 0.00 0.00 61.69 59.26 3gnq s THR 190 Cb 0.01 -0.31 -0.20 0.00 -1.51 0.00 0.00 72.50 70.50 3gnq s THR 190 CO 0.79 -0.26 1.39 0.47 -2.21 0.00 0.00 174.62 174.80 3gnq n ASP 191 N 2.12 0.79 -3.76 8.08 9.92 -1.26 -4.72 116.55 127.71 3gnq n ASP 191 Ca -0.19 1.17 -0.05 0.00 -0.53 0.00 0.00 54.79 55.19 3gnq n ASP 191 Cb 0.57 -0.92 -0.01 0.00 -0.64 0.00 0.00 41.12 40.12 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 1.75 0.00 0.14 2.53 0.11 -0.36 -5.00 120.40 119.56 3gnq s VAL 192 Ca 0.99 -0.77 -0.33 0.00 -2.93 0.00 0.00 61.98 58.94 3gnq s VAL 192 Cb -1.37 -2.04 -0.17 0.00 -1.53 0.00 0.00 36.38 31.26 3gnq s VAL 192 CO 0.70 0.00 0.89 0.00 -3.33 0.00 0.00 175.10 173.37 3gnq n TYR 193 N -0.48 0.45 -3.55 1.54 9.36 -1.26 -4.49 117.16 118.73 3gnq n TYR 193 Ca -0.05 0.90 -0.15 0.00 3.32 0.00 0.00 57.90 61.91 3gnq n TYR 193 Cb 0.60 -2.10 -0.06 0.00 -0.63 0.00 0.00 39.34 37.15 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 -0.47 -0.59 0.10 2.98 2.46 -1.26 -4.88 115.29 113.62 3gnq s HIS 194 Ca 0.75 1.07 0.30 0.00 0.47 0.00 0.00 55.06 57.64 3gnq s HIS 194 Cb -1.00 0.41 1.17 0.00 -0.13 0.00 0.00 32.58 33.02 3gnq s HIS 194 CO 0.55 -0.50 1.91 1.05 -2.47 0.00 0.00 174.74 175.28 3gnq h GLU 195 N 3.11 0.00 -5.13 2.88 4.11 -1.96 -3.39 114.58 114.20 3gnq h GLU 195 Ca -0.25 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.55 3gnq h GLU 195 Cb 1.15 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.22 3gnq h GLU 195 CO 0.33 0.08 -0.58 0.34 0.07 0.00 0.00 179.01 179.25 3gnq s ASP 196 N -5.90 5.49 0.43 3.06 2.15 -1.26 -5.01 116.67 115.63 3gnq s ASP 196 Ca 0.01 -0.03 0.28 0.00 0.43 0.00 0.00 52.55 53.25 3gnq s ASP 196 Cb 0.09 -1.96 1.00 0.00 -0.30 0.00 0.00 42.92 41.75 3gnq s ASP 196 CO 0.58 0.08 1.82 -0.07 -0.17 0.00 0.00 175.17 177.42 3gnq h LEU 197 N 7.38 0.00 0.17 -1.34 4.07 -2.00 -1.65 115.31 121.95 3gnq h LEU 197 Ca -0.37 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.27 3gnq h LEU 197 Cb 1.17 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.93 3gnq h LEU 197 CO 0.64 0.00 -1.52 0.03 -1.08 0.00 0.00 178.44 176.51 3gnq h ARG 198 N 0.00 0.37 0.00 1.13 3.08 -1.93 -3.29 114.38 113.73 3gnq h ARG 198 Ca 0.00 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3gnq h ARG 198 Cb 0.62 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3gnq h ARG 198 CO 0.00 1.27 0.00 0.54 -1.07 0.00 0.00 179.97 180.71 3gnq n ARG 199 N -3.57 0.01 0.00 0.04 1.74 -0.95 -2.34 116.66 111.59 3gnq n ARG 199 Ca -0.17 0.12 0.10 0.00 -0.77 0.00 0.00 57.85 57.13 3gnq n ARG 199 Cb 1.07 -1.52 0.48 0.00 -1.02 0.00 0.00 32.46 31.46 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 -1.52 2.01 -2.91 7.54 0.00 -0.66 -3.87 120.51 121.10 3gnq n ALA 200 Ca 0.05 -0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 3gnq n ALA 200 Cb 0.27 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.85 3.43 -0.38 0.00 1.81 -0.99 -1.23 118.95 118.74 3gnq s ARG 201 Ca 0.14 -0.39 -0.41 0.00 -1.72 0.00 0.00 55.73 53.35 3gnq s ARG 201 Cb 0.14 -3.06 -0.16 0.00 -0.45 0.00 0.00 34.95 31.42 3gnq s ARG 201 CO 0.36 0.64 1.95 0.45 -0.68 0.00 0.00 175.30 178.02 3gnq n SER 202 N 0.60 1.76 0.29 0.23 2.88 -1.26 -4.48 113.62 113.65 3gnq n SER 202 Ca -0.08 0.80 0.19 0.00 -1.33 0.00 0.00 58.87 58.45 3gnq n SER 202 Cb 0.52 -1.08 0.84 0.00 -0.75 0.00 0.00 64.21 63.74 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 8.85 1.00 0.00 -1.46 0.00 -1.37 -3.07 119.26 123.21 3gnq h ALA 203 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3gnq h ALA 203 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3gnq h ALA 203 CO 1.01 0.00 -0.42 1.79 0.00 0.00 0.00 179.25 181.63 3gnq h THR 204 N 0.00 0.00 0.00 0.00 1.35 -1.80 -3.31 112.91 109.15 3gnq h THR 204 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3gnq h THR 204 Cb 0.35 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3gnq h THR 204 CO 0.00 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.68 3gnq n HIS 205 N -2.26 0.00 -4.16 4.73 -0.00 -1.16 -4.73 115.22 107.64 3gnq n HIS 205 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.63 3gnq n HIS 205 Cb 0.45 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.33 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 -0.30 1.26 -0.05 0.41 0.01 -1.21 -5.08 113.70 108.75 3gnq s SER 206 Ca 0.00 -0.85 -0.27 0.00 1.31 0.00 0.00 55.95 56.14 3gnq s SER 206 Cb 0.00 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 3gnq s SER 206 CO 0.00 -0.33 0.86 -1.10 0.41 0.00 0.00 173.24 173.08 3gnq s GLN 207 N -3.00 4.48 -0.33 12.44 -0.21 -1.26 -4.31 119.66 127.47 3gnq s GLN 207 Ca 0.06 1.17 -0.00 0.00 0.02 0.00 0.00 55.36 56.61 3gnq s GLN 207 Cb -0.01 -3.47 0.11 0.00 1.00 0.00 0.00 33.01 30.64 3gnq s GLN 207 CO -0.02 -0.05 0.12 0.42 -2.12 0.00 0.00 175.29 173.64 3gnq s ILE 208 N 1.10 0.99 0.44 1.08 1.01 -0.45 -4.92 121.20 120.46 3gnq s ILE 208 Ca 0.45 -1.60 -0.25 0.00 0.00 0.00 0.00 60.65 59.24 3gnq s ILE 208 Cb -0.19 -1.74 -0.08 0.00 0.01 0.00 0.00 42.46 40.45 3gnq s ILE 208 CO 0.22 -0.71 1.39 -2.84 0.00 0.00 0.00 174.94 173.00 3gnq s PRO 209 N 1.40 3.74 -0.09 2.79 0.02 -1.26 -1.07 135.00 140.53 3gnq s PRO 209 Ca 0.11 2.34 -0.14 0.00 0.02 0.00 0.00 61.00 63.33 3gnq s PRO 209 Cb -0.18 -2.66 0.03 0.00 0.02 0.00 0.00 34.50 31.70 3gnq s PRO 209 CO -0.20 -0.74 0.35 -0.08 -0.33 0.00 0.00 177.00 175.99 3gnq s THR 210 N -1.22 0.02 0.53 0.99 -1.32 -0.57 -4.83 115.64 109.24 3gnq s THR 210 Ca 0.60 -0.16 -0.21 0.00 -1.21 0.00 0.00 61.69 60.71 3gnq s THR 210 Cb -0.42 -0.56 -0.05 0.00 -1.51 0.00 0.00 72.50 69.96 3gnq s THR 210 CO 0.54 -0.09 1.24 -0.54 -2.21 0.00 0.00 174.62 173.56 3gnq s LYS 211 N -0.35 3.28 -0.01 7.08 1.02 -1.26 -0.61 119.74 128.89 3gnq s LYS 211 Ca -0.05 1.92 -0.04 0.00 0.02 0.00 0.00 55.97 57.82 3gnq s LYS 211 Cb -0.03 -2.18 -0.00 0.00 -0.52 0.00 0.00 37.83 35.10 3gnq s LYS 211 CO 0.02 -0.98 0.09 -0.08 -0.92 0.00 0.00 175.35 173.48 3gnq s THR 212 N -1.50 0.06 -2.18 2.17 -1.32 -1.26 -4.72 115.64 106.90 3gnq s THR 212 Ca 0.71 -0.50 0.21 0.00 -1.21 0.00 0.00 61.69 60.90 3gnq s THR 212 Cb -0.33 -0.30 0.52 0.00 -1.51 0.00 0.00 72.50 70.88 3gnq s THR 212 CO 0.38 -0.28 1.66 0.61 -2.21 0.00 0.00 174.62 174.78 3gnq n GLY 213 N 2.02 -0.29 0.32 6.08 0.00 -1.26 -4.57 105.19 107.49 3gnq n GLY 213 Ca -0.19 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 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 3.90 0.97 0.39 4.61 0.00 -1.96 -0.51 119.26 126.67 3gnq h ALA 214 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3gnq h ALA 214 Cb 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gnq h ALA 214 CO 0.00 0.66 -0.19 0.00 0.00 0.00 0.00 179.25 179.72 3gnq h ALA 215 N 1.12 -0.53 -0.14 0.00 0.00 -1.86 -2.40 119.26 115.45 3gnq h ALA 215 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gnq h ALA 215 Cb 0.38 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3gnq h ALA 215 CO 0.00 -0.76 0.08 0.00 0.00 0.00 0.00 179.25 178.57 3gnq h ALA 216 N -0.01 1.88 0.00 0.00 0.00 -1.43 -2.39 119.26 117.31 3gnq h ALA 216 Ca -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3gnq h ALA 216 Cb 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gnq h ALA 216 CO 0.09 0.11 -0.13 0.00 0.00 0.00 0.00 179.25 179.32 3gnq h ALA 217 N 1.90 1.00 0.00 0.00 0.00 -0.75 -2.00 119.26 119.41 3gnq h ALA 217 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3gnq h ALA 217 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3gnq h ALA 217 CO -0.01 0.16 -0.21 0.28 0.00 0.00 0.00 179.25 179.47 3gnq h VAL 218 N 0.00 0.81 0.00 0.00 2.07 -0.93 -2.30 116.25 115.90 3gnq h VAL 218 Ca -0.00 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3gnq h VAL 218 Cb 0.71 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3gnq h VAL 218 CO 0.02 0.21 0.00 0.61 0.02 0.00 0.00 177.57 178.43 3gnq n GLY 219 N -0.53 -0.87 0.10 2.17 0.00 -0.75 -1.23 105.19 104.08 3gnq n GLY 219 Ca -0.02 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3gnq n GLY 219 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gnq n LEU 220 N -1.68 1.16 0.09 0.99 4.77 -0.87 -3.77 117.00 117.68 3gnq n LEU 220 Ca 0.02 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 3gnq n LEU 220 Cb 0.11 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3gnq n LEU 220 CO 0.10 0.57 0.11 -0.37 -1.33 0.00 0.00 177.39 176.47 3gnq h VAL 221 N 0.01 1.51 -3.11 4.08 -1.51 -1.54 -3.39 116.25 112.31 3gnq h VAL 221 Ca -0.43 -2.85 -0.62 0.00 -1.23 0.00 0.00 66.70 61.56 3gnq h VAL 221 Cb 2.08 2.68 -0.41 0.00 -2.13 0.00 0.00 31.29 33.51 3gnq h VAL 221 CO 0.04 0.83 -0.65 -0.76 -1.23 0.00 0.00 177.57 175.80 3gnq s LEU 222 N -7.30 4.01 0.57 4.19 1.43 -0.37 -4.76 118.68 116.45 3gnq s LEU 222 Ca -0.03 -3.30 0.28 0.00 -1.03 0.00 0.00 54.13 50.05 3gnq s LEU 222 Cb 0.09 -1.44 1.48 0.00 0.03 0.00 0.00 46.19 46.35 3gnq s LEU 222 CO 0.86 -0.17 1.94 -0.65 0.23 0.00 0.00 176.35 178.55 3gnq h PRO 223 N 6.01 0.00 0.00 1.29 0.11 -1.76 -0.71 132.00 136.94 3gnq h PRO 223 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3gnq h PRO 223 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3gnq h PRO 223 CO 0.64 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.58 3gnq n GLU 224 N -3.94 0.05 -0.22 1.05 0.00 -1.26 -2.29 120.64 114.03 3gnq n GLU 224 Ca 0.09 0.23 0.09 0.00 0.00 0.00 0.00 57.16 57.57 3gnq n GLU 224 Cb 0.66 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.80 3gnq n GLU 224 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3gnq n LEU 225 N -1.45 3.23 -4.68 -1.84 4.77 -0.27 -5.00 117.00 111.76 3gnq n LEU 225 Ca 0.04 -1.79 -0.46 0.00 -0.03 0.00 0.00 56.01 53.78 3gnq n LEU 225 Cb 0.16 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 3gnq n LEU 225 CO 0.13 0.77 1.42 -3.20 -1.33 0.00 0.00 177.39 175.18 3gnq n ASN 226 N 1.06 3.55 -0.35 -1.43 5.15 -0.97 -0.78 115.26 121.50 3gnq n ASN 226 Ca 0.16 1.00 -0.05 0.00 -0.60 0.00 0.00 54.58 55.10 3gnq n ASN 226 Cb 0.51 -1.44 -0.02 0.00 -0.53 0.00 0.00 39.78 38.30 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 4.11 0.67 0.00 8.20 0.00 -1.26 -4.87 105.19 112.04 3gnq n GLY 227 Ca 0.20 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.87 0.92 -4.92 1.61 5.02 0.04 -4.95 118.16 114.01 3gnq n LYS 228 Ca -0.05 -0.09 -0.33 0.00 -2.02 0.00 0.00 58.31 55.83 3gnq n LYS 228 Cb 0.27 -1.36 -0.15 0.00 -0.02 0.00 0.00 35.03 33.77 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 -3.60 2.52 0.25 -0.35 1.43 -1.25 -1.25 118.68 116.43 3gnq s LEU 229 Ca -0.01 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 3gnq s LEU 229 Cb 0.12 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 3gnq s LEU 229 CO 0.71 0.17 0.06 -0.62 0.23 0.00 0.00 176.35 176.90 3gnq s ASP 230 N 0.32 1.50 0.00 2.29 2.15 -0.78 -3.02 116.67 119.14 3gnq s ASP 230 Ca -0.13 -1.33 0.00 0.00 0.43 0.00 0.00 52.55 51.52 3gnq s ASP 230 Cb -0.16 0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.54 3gnq s ASP 230 CO 0.07 -0.65 0.00 0.61 -0.17 0.00 0.00 175.17 175.03 3gnq n GLY 231 N -0.46 -1.07 3.83 2.66 0.00 -1.26 -0.26 105.19 108.62 3gnq n GLY 231 Ca -0.02 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 0.02 0.26 1.61 -0.85 -0.30 -4.54 117.35 110.55 3gnq s TYR 232 Ca 0.00 -0.55 0.10 0.00 -0.52 0.00 0.00 57.07 56.10 3gnq s TYR 232 Cb 0.00 0.76 -0.04 0.00 0.38 0.00 0.00 41.96 43.06 3gnq s TYR 232 CO 0.00 -1.29 -0.07 0.00 -1.52 0.00 0.00 175.55 172.68 3gnq s ALA 233 N -2.72 3.03 -0.13 9.51 0.00 0.22 -1.46 121.76 130.21 3gnq s ALA 233 Ca 0.15 -1.68 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 3gnq s ALA 233 Cb -0.04 -0.64 0.04 0.00 0.00 0.00 0.00 23.12 22.47 3gnq s ALA 233 CO 0.08 0.30 -0.02 0.42 0.00 0.00 0.00 175.76 176.54 3gnq s ILE 234 N -2.28 0.71 0.03 0.00 1.01 0.92 -1.51 121.20 120.09 3gnq s ILE 234 Ca 0.30 -0.27 -0.24 0.00 0.00 0.00 0.00 60.65 60.44 3gnq s ILE 234 Cb -0.06 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 3gnq s ILE 234 CO 0.18 0.16 0.74 -0.13 0.00 0.00 0.00 174.94 175.90 3gnq s ARG 235 N 1.82 4.47 0.28 2.79 1.81 -0.23 -1.21 118.95 128.68 3gnq s ARG 235 Ca 0.03 1.02 0.06 0.00 -1.72 0.00 0.00 55.73 55.12 3gnq s ARG 235 Cb -0.14 -3.37 -0.06 0.00 -0.45 0.00 0.00 34.95 30.94 3gnq s ARG 235 CO -0.07 0.27 -0.03 0.14 -0.68 0.00 0.00 175.30 174.93 3gnq s VAL 236 N -0.00 1.48 -1.15 3.52 -7.23 -0.48 -1.34 120.40 115.20 3gnq s VAL 236 Ca 0.38 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 58.34 3gnq s VAL 236 Cb -0.20 -2.48 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 3gnq s VAL 236 CO 0.22 -0.26 2.28 -2.65 -0.31 0.00 0.00 175.10 174.38 3gnq n PRO 237 N -0.57 2.46 -4.23 4.82 -0.02 -1.25 -3.12 135.00 133.08 3gnq n PRO 237 Ca -0.05 -1.94 -0.18 0.00 -2.02 0.00 0.00 63.50 59.31 3gnq n PRO 237 Cb 0.64 -2.80 -0.13 0.00 -0.02 0.00 0.00 33.50 31.19 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 3.47 0.99 0.20 3.45 -4.23 -1.26 -5.01 115.64 113.25 3gnq s THR 238 Ca 0.52 -1.08 0.13 0.00 -1.18 0.00 0.00 61.69 60.07 3gnq s THR 238 Cb 0.14 -0.94 -0.00 0.00 1.34 0.00 0.00 72.50 73.04 3gnq s THR 238 CO -0.01 -0.13 1.59 -0.29 -0.54 0.00 0.00 174.62 175.23 3gnq h ILE 239 N 4.45 1.29 -2.87 2.99 2.10 -1.88 -1.45 117.51 122.13 3gnq h ILE 239 Ca -0.38 -2.14 0.02 0.00 1.08 0.00 0.00 64.86 63.44 3gnq h ILE 239 Cb 1.19 2.20 -0.11 0.00 -1.09 0.00 0.00 36.82 39.01 3gnq h ILE 239 CO 0.42 0.58 0.26 0.21 -1.08 0.00 0.00 178.15 178.55 3gnq s ASN 240 N -6.69 -0.47 0.00 2.19 2.47 -1.26 -4.67 114.94 106.51 3gnq s ASN 240 Ca -0.00 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.15 3gnq s ASN 240 Cb 0.11 0.59 0.00 0.00 -1.45 0.00 0.00 41.25 40.50 3gnq s ASN 240 CO 0.75 -0.99 0.00 0.52 -3.72 0.00 0.00 177.10 173.66 3gnq n VAL 241 N -0.38 -0.59 -3.96 -5.21 0.31 -1.26 -4.77 118.33 102.46 3gnq n VAL 241 Ca -0.13 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.10 3gnq n VAL 241 Cb 0.63 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.49 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 -2.25 0.02 -0.01 4.52 0.01 0.23 -3.27 113.70 112.94 3gnq s SER 242 Ca 0.00 -0.88 0.02 0.00 1.31 0.00 0.00 55.95 56.40 3gnq s SER 242 Cb 0.00 0.45 -0.00 0.00 0.21 0.00 0.00 66.02 66.68 3gnq s SER 242 CO 0.00 -0.92 -0.08 -0.51 0.41 0.00 0.00 173.24 172.14 3gnq s ILE 243 N -3.98 0.65 -0.26 1.44 2.07 -0.07 -0.62 121.20 120.45 3gnq s ILE 243 Ca 0.18 -0.33 -0.09 0.00 -1.41 0.00 0.00 60.65 59.00 3gnq s ILE 243 Cb 0.03 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 3gnq s ILE 243 CO 0.01 0.19 0.12 -0.69 -1.91 0.00 0.00 174.94 172.66 3gnq s VAL 244 N -0.06 4.74 -0.17 4.00 1.01 0.59 -0.78 120.40 129.73 3gnq s VAL 244 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 3gnq s VAL 244 Cb -0.05 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3gnq s VAL 244 CO -0.00 0.31 -0.03 -0.62 0.00 0.00 0.00 175.10 174.76 3gnq s ASP 245 N 1.59 4.79 -0.11 3.32 -1.08 -0.14 -1.04 116.67 123.99 3gnq s ASP 245 Ca 0.06 -0.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.94 3gnq s ASP 245 Cb -0.15 -1.79 0.02 0.00 -1.46 0.00 0.00 42.92 39.54 3gnq s ASP 245 CO 0.06 0.13 -0.10 -0.22 0.52 0.00 0.00 175.17 175.56 3gnq s LEU 246 N 0.59 1.38 -0.04 -1.34 2.96 0.02 -1.48 118.68 120.77 3gnq s LEU 246 Ca -0.02 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 3gnq s LEU 246 Cb -0.14 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 3gnq s LEU 246 CO 0.02 -0.08 0.08 -0.44 -1.32 0.00 0.00 176.35 174.61 3gnq s SER 247 N 1.48 5.72 0.15 3.68 0.01 -0.71 -1.04 113.70 123.00 3gnq s SER 247 Ca 0.02 0.21 -0.16 0.00 1.31 0.00 0.00 55.95 57.33 3gnq s SER 247 Cb -0.13 -1.68 0.03 0.00 0.21 0.00 0.00 66.02 64.44 3gnq s SER 247 CO -0.07 0.32 0.43 0.72 0.41 0.00 0.00 173.24 175.05 3gnq s PHE 248 N -1.10 -0.12 -0.30 2.43 -0.12 -0.37 -0.43 117.98 117.97 3gnq s PHE 248 Ca 0.20 -0.21 -0.17 0.00 -0.05 0.00 0.00 56.93 56.70 3gnq s PHE 248 Cb -0.12 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.52 3gnq s PHE 248 CO 0.10 -0.77 0.45 0.42 -0.05 0.00 0.00 175.22 175.36 3gnq s ILE 249 N -3.84 5.10 0.18 -4.49 1.01 -0.08 -1.56 121.20 117.52 3gnq s ILE 249 Ca 0.06 0.55 -0.18 0.00 0.00 0.00 0.00 60.65 61.08 3gnq s ILE 249 Cb 0.01 -3.82 -0.08 0.00 0.01 0.00 0.00 42.46 38.59 3gnq s ILE 249 CO -0.08 0.01 0.65 0.00 0.00 0.00 0.00 174.94 175.52 3gnq s ALA 250 N 2.22 3.49 -0.26 9.38 0.00 -0.15 -0.63 121.76 135.80 3gnq s ALA 250 Ca 0.17 0.05 0.25 0.00 0.00 0.00 0.00 51.96 52.43 3gnq s ALA 250 Cb -0.16 -2.70 1.17 0.00 0.00 0.00 0.00 23.12 21.43 3gnq s ALA 250 CO 0.11 0.38 1.76 0.87 0.00 0.00 0.00 175.76 178.88 3gnq h LYS 251 N 3.54 0.00 -4.15 0.00 1.57 -1.20 -3.45 116.57 112.88 3gnq h LYS 251 Ca -0.48 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.07 3gnq h LYS 251 Cb 1.19 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.41 3gnq h LYS 251 CO 0.65 0.00 -0.27 -0.98 -0.57 0.00 0.00 179.45 178.28 3gnq s ARG 252 N -3.48 1.68 0.41 3.15 1.70 -1.26 -5.09 118.95 116.07 3gnq s ARG 252 Ca 0.01 -1.62 -0.25 0.00 -0.47 0.00 0.00 55.73 53.40 3gnq s ARG 252 Cb 0.08 0.41 -0.08 0.00 -0.57 0.00 0.00 34.95 34.79 3gnq s ARG 252 CO 0.35 -0.67 1.21 -0.51 -1.08 0.00 0.00 175.30 174.60 3gnq s ASP 253 N -3.18 6.39 0.11 -2.89 1.11 -1.26 -4.82 116.67 112.14 3gnq s ASP 253 Ca 0.31 2.44 -0.04 0.00 0.18 0.00 0.00 52.55 55.44 3gnq s ASP 253 Cb 0.01 -2.62 0.02 0.00 1.07 0.00 0.00 42.92 41.40 3gnq s ASP 253 CO 0.16 -0.77 0.22 1.07 1.18 0.00 0.00 175.17 177.03 3gnq n THR 254 N 0.01 0.00 -3.92 -1.27 5.66 -1.26 -5.12 114.28 108.39 3gnq n THR 254 Ca 0.05 -0.30 -0.09 0.00 -3.05 0.00 0.00 64.05 60.65 3gnq n THR 254 Cb 0.46 0.28 -0.09 0.00 -1.55 0.00 0.00 70.33 69.43 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 -2.73 0.13 0.20 1.09 -4.23 -1.26 -4.82 115.64 104.02 3gnq s THR 255 Ca 0.05 -1.08 -0.16 0.00 -1.18 0.00 0.00 61.69 59.32 3gnq s THR 255 Cb -0.01 -0.91 0.19 0.00 1.34 0.00 0.00 72.50 73.11 3gnq s THR 255 CO 0.04 -0.60 1.61 0.00 -0.54 0.00 0.00 174.62 175.13 3gnq h ALA 256 N 3.61 0.25 -0.55 3.99 0.00 -1.92 0.34 119.26 124.99 3gnq h ALA 256 Ca -0.32 0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.90 3gnq h ALA 256 Cb 1.19 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 19.44 3gnq h ALA 256 CO 0.50 -0.51 -0.31 0.00 0.00 0.00 0.00 179.25 178.93 3gnq h ALA 257 N 1.40 -0.02 -0.49 0.00 0.00 -1.98 0.37 119.26 118.54 3gnq h ALA 257 Ca 0.27 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 3gnq h ALA 257 Cb 0.49 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3gnq h ALA 257 CO -0.64 -0.66 0.06 1.49 0.00 0.00 0.00 179.25 179.49 3gnq h GLU 258 N -0.17 0.83 -0.34 0.00 4.81 -1.69 -1.64 114.58 116.39 3gnq h GLU 258 Ca 0.23 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3gnq h GLU 258 Cb 0.54 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3gnq h GLU 258 CO -0.64 0.84 0.15 0.28 -0.73 0.00 0.00 179.01 178.91 3gnq h VAL 259 N 0.70 1.18 -0.17 0.32 2.07 0.28 -0.16 116.25 120.48 3gnq h VAL 259 Ca 0.15 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3gnq h VAL 259 Cb 0.43 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3gnq h VAL 259 CO 0.01 0.19 0.08 0.78 0.02 0.00 0.00 177.57 178.65 3gnq h ASN 260 N 0.41 0.22 -0.65 0.57 2.35 -0.92 -2.64 115.58 114.92 3gnq h ASN 260 Ca 0.11 -0.13 0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3gnq h ASN 260 Cb 0.16 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.41 3gnq h ASN 260 CO -0.01 0.29 0.35 0.00 -1.65 0.00 0.00 177.43 176.41 3gnq h ALA 261 N 0.94 0.87 -0.71 -0.83 0.00 -1.07 -0.87 119.26 117.59 3gnq h ALA 261 Ca 0.06 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3gnq h ALA 261 Cb 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3gnq h ALA 261 CO -0.01 0.00 0.42 0.82 0.00 0.00 0.00 179.25 180.49 3gnq h ILE 262 N 0.63 1.02 -0.05 0.00 2.04 -0.86 -1.73 117.51 118.56 3gnq h ILE 262 Ca 0.30 -0.27 -0.21 0.00 1.00 0.00 0.00 64.86 65.67 3gnq h ILE 262 Cb 0.22 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3gnq h ILE 262 CO -0.20 0.14 -0.85 0.24 0.00 0.00 0.00 178.15 177.48 3gnq h MET 263 N 0.79 0.50 -0.22 2.37 2.86 -1.07 -1.65 114.93 118.51 3gnq h MET 263 Ca 0.31 -0.47 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3gnq h MET 263 Cb 0.13 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 3gnq h MET 263 CO -0.16 1.10 0.04 -0.22 1.06 0.00 0.00 176.91 178.73 3gnq h LYS 264 N 0.31 0.12 -0.03 1.72 3.64 -1.02 0.48 116.57 121.78 3gnq h LYS 264 Ca -0.06 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3gnq h LYS 264 Cb 1.46 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.21 3gnq h LYS 264 CO 0.15 0.08 -0.25 1.49 -2.27 0.00 0.00 179.45 178.65 3gnq h GLU 265 N 0.12 -0.36 -0.66 1.90 4.81 -1.26 -0.39 114.58 118.74 3gnq h GLU 265 Ca 0.10 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3gnq h GLU 265 Cb 0.10 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3gnq h GLU 265 CO -0.14 -0.24 0.40 0.00 -0.73 0.00 0.00 179.01 178.31 3gnq h ALA 266 N 0.48 1.47 -0.57 2.92 0.00 -0.88 0.46 119.26 123.15 3gnq h ALA 266 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3gnq h ALA 266 Cb 0.47 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3gnq h ALA 266 CO -0.24 0.47 0.26 0.66 0.00 0.00 0.00 179.25 180.39 3gnq h SER 267 N 0.91 0.75 1.41 0.00 4.64 0.33 -2.54 113.55 119.04 3gnq h SER 267 Ca 0.24 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 3gnq h SER 267 Cb -0.05 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.85 3gnq h SER 267 CO -0.05 0.69 -0.07 -0.33 -0.87 0.00 0.00 176.83 176.20 3gnq h GLU 268 N 0.77 0.00 0.00 4.77 4.39 -0.33 -2.98 114.58 121.20 3gnq h GLU 268 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3gnq h GLU 268 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3gnq h GLU 268 CO -0.02 0.07 0.00 0.41 -1.16 0.00 0.00 179.01 178.31 3gnq n GLY 269 N 0.54 0.65 0.26 -3.84 0.00 0.15 -4.73 105.19 98.23 3gnq n GLY 269 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.79 1.00 -0.37 4.61 0.00 -1.85 -3.10 119.26 117.77 3gnq h ALA 270 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 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 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.57 3gnq n LEU 271 N -3.13 3.45 -4.46 0.00 4.77 -1.16 -4.97 117.00 111.51 3gnq n LEU 271 Ca 0.01 -1.48 -0.52 0.00 -0.03 0.00 0.00 56.01 53.99 3gnq n LEU 271 Cb 0.36 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3gnq n LEU 271 CO 0.29 0.74 0.29 1.17 -1.33 0.00 0.00 177.39 178.54 3gnq n LYS 272 N 1.49 0.14 -0.92 3.23 4.81 -1.13 -0.16 118.16 125.62 3gnq n LYS 272 Ca 0.19 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 3gnq n LYS 272 Cb 0.61 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.37 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 1.80 0.78 0.00 3.14 0.00 -1.26 -4.65 105.19 104.99 3gnq n GLY 273 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3gnq n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gnq n ILE 274 N -2.10 0.00 -4.04 -0.61 -0.00 -0.06 -4.76 119.36 107.78 3gnq n ILE 274 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 62.75 62.41 3gnq n ILE 274 Cb 0.01 -0.50 -0.15 0.00 -0.00 0.00 0.00 39.64 39.00 3gnq n ILE 274 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 3gnq s LEU 275 N -3.77 2.55 0.30 1.39 2.96 0.78 -1.48 118.68 121.40 3gnq s LEU 275 Ca 0.00 -0.68 0.02 0.00 -0.22 0.00 0.00 54.13 53.26 3gnq s LEU 275 Cb 0.00 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 3gnq s LEU 275 CO 0.00 -0.04 0.47 -0.83 -1.32 0.00 0.00 176.35 174.63 3gnq s GLY 276 N 1.32 1.32 -0.03 7.98 0.00 0.26 -4.51 107.32 113.67 3gnq s GLY 276 Ca 0.04 -1.03 0.06 0.00 0.00 0.00 0.00 44.72 43.79 3gnq s GLY 276 CO -0.09 -1.00 -0.22 -0.47 0.00 0.00 0.00 173.10 171.33 3gnq s TYR 277 N -2.16 2.47 -0.04 1.90 5.04 -1.26 -1.00 117.35 122.30 3gnq s TYR 277 Ca 0.38 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.66 3gnq s TYR 277 Cb -0.09 -1.55 0.03 0.00 0.35 0.00 0.00 41.96 40.69 3gnq s TYR 277 CO 0.33 0.04 -0.01 1.21 -1.34 0.00 0.00 175.55 175.78 3gnq s ASN 278 N -0.64 0.88 -0.00 4.32 2.47 -0.34 -4.93 114.94 116.70 3gnq s ASN 278 Ca 0.10 -0.07 0.01 0.00 0.42 0.00 0.00 52.86 53.33 3gnq s ASN 278 Cb -0.10 -0.34 -0.02 0.00 -1.45 0.00 0.00 41.25 39.34 3gnq s ASN 278 CO -0.00 -0.11 0.06 -0.62 -3.72 0.00 0.00 177.10 172.70 3gnq n GLU 279 N 4.37 5.61 -2.31 0.43 1.02 -1.26 -0.79 120.64 127.71 3gnq n GLU 279 Ca -0.21 -0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.60 3gnq n GLU 279 Cb 0.50 -0.63 -0.02 0.00 -0.02 0.00 0.00 31.44 31.27 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 -1.27 2.84 -1.32 0.62 0.00 -1.26 -4.86 121.76 116.51 3gnq s ALA 280 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 3gnq s ALA 280 Cb 0.01 -3.22 0.13 0.00 0.00 0.00 0.00 23.12 20.04 3gnq s ALA 280 CO 0.06 -0.51 1.92 -0.35 0.00 0.00 0.00 175.76 176.88 3gnq n PRO 281 N -1.51 3.38 -2.81 0.00 -0.04 -1.26 -4.94 135.00 127.82 3gnq n PRO 281 Ca 0.09 -3.31 -0.21 0.00 -0.04 0.00 0.00 63.50 60.03 3gnq n PRO 281 Cb 0.53 -3.06 0.03 0.00 -0.04 0.00 0.00 33.50 30.96 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 0.82 3.45 0.38 1.53 1.43 -1.26 -5.14 118.68 119.90 3gnq s LEU 282 Ca 0.42 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 3gnq s LEU 282 Cb 0.09 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 3gnq s LEU 282 CO -0.02 -0.95 0.06 0.68 0.23 0.00 0.00 176.35 176.35 3gnq s VAL 283 N -2.63 1.15 0.25 -1.59 -7.23 -1.26 -5.04 120.40 104.05 3gnq s VAL 283 Ca 0.54 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.68 3gnq s VAL 283 Cb -0.10 -2.63 0.22 0.00 0.56 0.00 0.00 36.38 34.44 3gnq s VAL 283 CO 0.37 0.00 1.73 0.77 -0.31 0.00 0.00 175.10 177.66 3gnq h SER 284 N 1.88 0.28 0.19 4.85 4.64 -1.99 0.12 113.55 123.53 3gnq h SER 284 Ca -0.40 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 3gnq h SER 284 Cb 1.26 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3gnq h SER 284 CO 0.69 0.10 -0.09 -0.29 -0.87 0.00 0.00 176.83 176.37 3gnq h ILE 285 N 0.44 0.69 0.00 0.95 -0.00 -1.97 -1.37 117.51 116.25 3gnq h ILE 285 Ca 0.43 -0.35 -0.00 0.00 -0.00 0.00 0.00 64.86 64.93 3gnq h ILE 285 Cb 0.66 1.21 -0.00 0.00 -0.00 0.00 0.00 36.82 38.69 3gnq h ILE 285 CO -0.41 0.09 -0.01 0.44 -0.00 0.00 0.00 178.15 178.25 3gnq h ASP 286 N 0.00 0.00 -0.72 2.19 3.45 -1.15 -2.07 116.42 118.12 3gnq h ASP 286 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3gnq h ASP 286 Cb 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 3gnq h ASP 286 CO 0.01 0.01 0.00 0.49 -1.57 0.00 0.00 179.24 178.19 3gnq n PHE 287 N -3.16 0.95 -2.05 4.55 3.72 -0.52 -4.89 117.46 116.07 3gnq n PHE 287 Ca -0.01 -0.48 -0.41 0.00 -0.05 0.00 0.00 57.45 56.50 3gnq n PHE 287 Cb 0.18 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.04 6.69 -0.49 4.37 2.47 -0.78 -2.62 114.94 123.54 3gnq s ASN 288 Ca 0.49 2.72 0.00 0.00 0.42 0.00 0.00 52.86 56.49 3gnq s ASN 288 Cb 0.26 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 3gnq s ASN 288 CO 0.34 -0.63 0.00 1.57 -3.72 0.00 0.00 177.10 174.66 3gnq n HIS 289 N 1.26 0.00 -3.12 0.43 -0.00 -1.26 -4.99 115.22 107.54 3gnq n HIS 289 Ca 0.02 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.80 3gnq n HIS 289 Cb 0.41 -1.59 -0.06 0.00 -0.12 0.00 0.00 29.99 28.62 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 -2.32 6.56 0.00 0.26 3.84 -1.08 -4.95 114.94 117.25 3gnq s ASN 290 Ca 0.00 0.67 0.31 0.00 0.21 0.00 0.00 52.86 54.04 3gnq s ASN 290 Cb 0.00 -2.33 1.58 0.00 -0.55 0.00 0.00 41.25 39.95 3gnq s ASN 290 CO 0.00 -0.37 2.08 -0.81 -2.79 0.00 0.00 177.10 175.21 3gnq n PRO 291 N 5.71 0.52 -1.40 0.43 -0.04 -1.26 -4.18 135.00 134.77 3gnq n PRO 291 Ca -0.01 -0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.08 3gnq n PRO 291 Cb 0.49 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.24 -0.83 0.03 0.55 0.00 -1.26 -4.37 120.51 113.39 3gnq n ALA 292 Ca 0.16 -0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 3gnq n ALA 292 Cb 0.22 -1.95 -0.12 0.00 0.00 0.00 0.00 19.45 17.61 3gnq n ALA 292 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gnq h SER 293 N -0.03 0.00 -3.44 0.00 0.87 -1.56 -3.38 113.55 106.01 3gnq h SER 293 Ca -0.47 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 59.98 3gnq h SER 293 Cb 1.36 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 63.07 3gnq h SER 293 CO 0.46 0.94 -0.27 -0.55 -0.53 0.00 0.00 176.83 176.88 3gnq s SER 294 N -6.39 -0.50 -0.34 6.23 0.15 -0.88 -3.72 113.70 108.26 3gnq s SER 294 Ca -0.01 0.88 0.03 0.00 0.70 0.00 0.00 55.95 57.55 3gnq s SER 294 Cb 0.09 0.81 0.10 0.00 -1.71 0.00 0.00 66.02 65.31 3gnq s SER 294 CO 0.82 -0.18 0.06 -0.89 1.20 0.00 0.00 173.24 174.25 3gnq s THR 295 N 1.01 2.11 0.41 6.45 2.01 -0.21 -0.57 115.64 126.85 3gnq s THR 295 Ca -0.06 -2.27 -0.27 0.00 0.31 0.00 0.00 61.69 59.40 3gnq s THR 295 Cb -0.07 -2.56 -0.09 0.00 0.01 0.00 0.00 72.50 69.79 3gnq s THR 295 CO -0.08 -0.62 1.42 0.12 -0.69 0.00 0.00 174.62 174.77 3gnq s PHE 296 N 0.94 2.61 -0.38 4.92 5.36 -0.17 -1.04 117.98 130.23 3gnq s PHE 296 Ca 0.11 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 3gnq s PHE 296 Cb -0.19 -3.90 0.10 0.00 -0.34 0.00 0.00 43.02 38.70 3gnq s PHE 296 CO -0.10 -2.73 0.13 0.34 -1.46 0.00 0.00 175.22 171.40 3gnq s ASP 297 N -0.41 5.04 0.45 6.13 -1.08 -0.85 -1.20 116.67 124.76 3gnq s ASP 297 Ca 0.56 -2.06 0.11 0.00 -0.52 0.00 0.00 52.55 50.64 3gnq s ASP 297 Cb -0.43 -1.74 1.03 0.00 -1.46 0.00 0.00 42.92 40.31 3gnq s ASP 297 CO 0.57 -0.47 2.09 0.00 0.52 0.00 0.00 175.17 177.88 3gnq h ALA 298 N 7.86 1.85 0.00 3.66 0.00 -1.28 -2.68 119.26 128.67 3gnq h ALA 298 Ca -0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3gnq h ALA 298 Cb 1.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3gnq h ALA 298 CO 0.62 0.13 -0.12 1.79 0.00 0.00 0.00 179.25 181.67 3gnq h THR 299 N 0.33 0.59 0.00 0.00 1.35 -1.89 -2.50 112.91 110.79 3gnq h THR 299 Ca 0.10 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3gnq h THR 299 Cb 0.01 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3gnq h THR 299 CO -0.02 0.12 -0.76 0.18 -0.25 0.00 0.00 175.52 174.79 3gnq n LEU 300 N -3.67 0.63 -4.71 3.87 4.77 -1.01 -4.96 117.00 111.92 3gnq n LEU 300 Ca -0.02 0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 3gnq n LEU 300 Cb 0.24 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3gnq n LEU 300 CO 0.30 0.03 1.13 0.41 -1.33 0.00 0.00 177.39 177.93 3gnq n THR 301 N -1.91 0.99 -4.09 -5.08 -1.04 -0.94 -4.85 114.28 97.36 3gnq n THR 301 Ca 0.03 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.05 61.65 3gnq n THR 301 Cb 0.41 -1.73 -0.13 0.00 -1.82 0.00 0.00 70.33 67.06 3gnq n THR 301 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3gnq s LYS 302 N -0.46 0.39 -0.10 -2.82 3.01 -0.42 -4.99 119.74 114.35 3gnq s LYS 302 Ca 0.66 -0.35 -0.04 0.00 -1.01 0.00 0.00 55.97 55.23 3gnq s LYS 302 Cb -0.57 -0.29 0.05 0.00 -1.01 0.00 0.00 37.83 36.00 3gnq s LYS 302 CO 0.49 0.07 0.22 0.14 0.51 0.00 0.00 175.35 176.78 3gnq s VAL 303 N -0.54 -0.09 -0.41 3.17 -7.23 -1.26 -0.20 120.40 113.84 3gnq s VAL 303 Ca -0.03 0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.34 3gnq s VAL 303 Cb -0.04 -0.35 0.13 0.00 0.56 0.00 0.00 36.38 36.68 3gnq s VAL 303 CO -0.00 0.07 0.21 -0.55 -0.31 0.00 0.00 175.10 174.52 3gnq s SER 304 N 1.41 3.78 1.34 4.85 0.15 -0.14 -4.80 113.70 120.28 3gnq s SER 304 Ca -0.08 -2.44 0.00 0.00 0.70 0.00 0.00 55.95 54.13 3gnq s SER 304 Cb -0.11 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 3gnq s SER 304 CO -0.08 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.68 3gnq n GLY 305 N 3.79 1.52 0.10 9.45 0.00 -1.26 -2.93 105.19 115.86 3gnq n GLY 305 Ca 0.06 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.59 -2.96 1.61 5.12 -1.26 -4.17 116.66 115.59 3gnq n ARG 306 Ca 0.00 0.08 -0.41 0.00 -1.93 0.00 0.00 57.85 55.59 3gnq n ARG 306 Cb 0.00 -1.78 -0.05 0.00 -1.16 0.00 0.00 32.46 29.48 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 -5.17 4.18 -0.10 0.55 2.96 -1.15 -0.98 118.68 118.98 3gnq s LEU 307 Ca -0.01 1.10 0.04 0.00 -0.22 0.00 0.00 54.13 55.03 3gnq s LEU 307 Cb 0.10 -3.14 -0.00 0.00 0.50 0.00 0.00 46.19 43.65 3gnq s LEU 307 CO 0.80 -0.34 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.58 3gnq s VAL 308 N 1.95 2.16 -0.14 1.68 1.01 -0.60 -0.97 120.40 125.49 3gnq s VAL 308 Ca 0.36 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 3gnq s VAL 308 Cb -0.17 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3gnq s VAL 308 CO 0.13 0.56 -0.11 -0.75 0.00 0.00 0.00 175.10 174.92 3gnq s LYS 309 N 0.29 3.45 0.00 2.72 2.20 0.73 -1.24 119.74 127.89 3gnq s LYS 309 Ca -0.17 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 3gnq s LYS 309 Cb -0.17 -2.70 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 3gnq s LYS 309 CO 0.08 0.22 -0.02 0.14 -0.36 0.00 0.00 175.35 175.41 3gnq s VAL 310 N 0.35 0.13 0.08 4.02 -7.23 -0.20 -1.30 120.40 116.24 3gnq s VAL 310 Ca -0.09 -0.25 0.06 0.00 -1.81 0.00 0.00 61.98 59.88 3gnq s VAL 310 Cb -0.16 -0.15 -0.03 0.00 0.56 0.00 0.00 36.38 36.60 3gnq s VAL 310 CO 0.05 -0.08 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.15 3gnq s SER 311 N -0.35 2.02 -0.06 4.85 0.01 -1.26 -0.80 113.70 118.11 3gnq s SER 311 Ca -0.03 -0.62 -0.05 0.00 1.31 0.00 0.00 55.95 56.56 3gnq s SER 311 Cb -0.03 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.13 3gnq s SER 311 CO -0.00 -0.00 0.15 -0.55 0.41 0.00 0.00 173.24 173.24 3gnq s SER 312 N -1.71 -0.15 0.20 2.44 0.15 -0.21 -2.00 113.70 112.41 3gnq s SER 312 Ca 0.02 0.30 -0.08 0.00 0.70 0.00 0.00 55.95 56.89 3gnq s SER 312 Cb -0.10 0.29 -0.07 0.00 -1.71 0.00 0.00 66.02 64.44 3gnq s SER 312 CO 0.03 -0.06 0.49 0.26 1.20 0.00 0.00 173.24 175.15 3gnq s TRP 313 N 0.22 3.45 -0.15 3.44 0.52 -0.21 -0.30 118.94 125.91 3gnq s TRP 313 Ca -0.01 0.77 -0.11 0.00 0.02 0.00 0.00 56.10 56.77 3gnq s TRP 313 Cb -0.02 -2.17 0.05 0.00 -1.15 0.00 0.00 33.47 30.17 3gnq s TRP 313 CO -0.01 0.33 0.39 1.52 0.02 0.00 0.00 176.95 179.20 3gnq s TYR 314 N -1.75 -0.50 -0.96 -1.98 -0.00 0.21 -1.04 117.35 111.33 3gnq s TYR 314 Ca 0.45 1.14 -0.24 0.00 -0.00 0.00 0.00 57.07 58.42 3gnq s TYR 314 Cb -0.12 0.19 -0.00 0.00 -0.00 0.00 0.00 41.96 42.03 3gnq s TYR 314 CO 0.22 -0.27 1.72 0.34 -0.00 0.00 0.00 175.55 177.56 3gnq s ASP 315 N 0.84 5.77 0.60 -0.18 3.68 -1.26 -0.60 116.67 125.52 3gnq s ASP 315 Ca -0.05 -1.06 0.27 0.00 2.13 0.00 0.00 52.55 53.84 3gnq s ASP 315 Cb -0.06 -2.57 1.23 0.00 -1.45 0.00 0.00 42.92 40.08 3gnq s ASP 315 CO -0.06 -2.18 1.64 -0.55 0.13 0.00 0.00 175.17 174.15 3gnq h ASN 316 N 10.56 0.00 0.08 -0.34 -1.07 -1.91 -0.95 115.58 121.94 3gnq h ASN 316 Ca 0.15 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.15 3gnq h ASN 316 Cb 1.00 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.22 3gnq h ASN 316 CO 1.31 0.00 -2.15 -0.62 0.07 0.00 0.00 177.43 176.04 3gnq n GLU 317 N -3.44 0.72 -0.02 4.14 1.02 -1.26 -4.40 120.64 117.40 3gnq n GLU 317 Ca 0.13 0.23 -0.22 0.00 -0.02 0.00 0.00 57.16 57.29 3gnq n GLU 317 Cb 1.00 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 30.64 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 0.03 0.35 0.56 -0.32 2.91 -1.54 -2.71 115.95 115.23 3gnq h TRP 318 Ca -0.48 -0.25 -0.02 0.00 1.13 0.00 0.00 58.89 59.27 3gnq h TRP 318 Cb 1.98 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 30.61 3gnq h TRP 318 CO 0.06 1.67 -0.37 0.78 -1.03 0.00 0.00 178.44 179.55 3gnq h GLY 319 N 0.33 -0.97 0.76 2.65 0.00 -1.51 -1.31 103.07 103.02 3gnq h GLY 319 Ca -0.39 0.41 0.08 0.00 0.00 0.00 0.00 47.33 47.44 3gnq h GLY 319 CO -0.00 -0.35 0.60 -2.75 0.00 0.00 0.00 176.54 174.04 3gnq h PHE 320 N -0.89 1.06 0.00 5.60 3.57 -1.72 0.11 116.94 124.67 3gnq h PHE 320 Ca -0.07 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.34 3gnq h PHE 320 Cb 0.73 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3gnq h PHE 320 CO -0.12 0.52 -0.61 0.77 -2.23 0.00 0.00 178.31 176.65 3gnq h SER 321 N 1.02 0.00 -0.01 0.41 0.02 -1.37 -1.86 113.55 111.76 3gnq h SER 321 Ca 0.41 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 61.12 3gnq h SER 321 Cb 0.28 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.83 3gnq h SER 321 CO -0.17 0.61 -0.94 0.78 -1.14 0.00 0.00 176.83 175.97 3gnq h ASN 322 N 0.00 0.88 -0.03 3.07 2.35 0.04 -3.07 115.58 118.83 3gnq h ASN 322 Ca -0.01 -0.66 0.01 0.00 -0.55 0.00 0.00 56.30 55.10 3gnq h ASN 322 Cb 1.07 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.18 3gnq h ASN 322 CO 0.08 1.46 0.02 0.03 -1.65 0.00 0.00 177.43 177.36 3gnq h ARG 323 N 0.43 0.00 -0.56 0.81 2.47 -0.68 -2.74 114.38 114.11 3gnq h ARG 323 Ca -0.10 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.59 3gnq h ARG 323 Cb 1.58 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.87 3gnq h ARG 323 CO 0.18 0.00 0.20 0.52 0.56 0.00 0.00 179.97 181.44 3gnq h MET 324 N 0.00 0.82 -0.09 0.04 2.86 -1.23 0.42 114.93 117.75 3gnq h MET 324 Ca 0.01 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 3gnq h MET 324 Cb 0.05 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.57 3gnq h MET 324 CO -0.00 0.69 -0.22 -0.07 1.06 0.00 0.00 176.91 178.37 3gnq h LEU 325 N 0.80 0.35 -2.25 1.22 3.38 -1.58 -1.70 115.31 115.54 3gnq h LEU 325 Ca 0.19 -0.59 0.02 0.00 0.09 0.00 0.00 57.88 57.59 3gnq h LEU 325 Cb 0.19 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3gnq h LEU 325 CO -0.01 0.87 0.05 0.44 0.09 0.00 0.00 178.44 179.88 3gnq h ASP 326 N -0.16 0.00 0.36 -0.43 5.19 -1.18 -2.48 116.42 117.73 3gnq h ASP 326 Ca -0.00 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.09 3gnq h ASP 326 Cb 0.83 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.31 3gnq h ASP 326 CO 0.05 0.00 -1.76 0.74 -3.12 0.00 0.00 179.24 175.15 3gnq h THR 327 N 0.00 0.86 -0.63 0.35 2.02 -0.92 -3.30 112.91 111.28 3gnq h THR 327 Ca 0.03 -2.61 0.11 0.00 0.77 0.00 0.00 66.41 64.71 3gnq h THR 327 Cb 0.13 2.54 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 3gnq h THR 327 CO -0.00 0.72 0.42 0.00 0.37 0.00 0.00 175.52 177.04 3gnq h ALA 328 N 0.55 2.04 -0.13 6.16 0.00 -0.86 -1.39 119.26 125.62 3gnq h ALA 328 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3gnq h ALA 328 Cb 2.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.73 3gnq h ALA 328 CO 0.10 -0.18 0.00 -0.89 0.00 0.00 0.00 179.25 178.28 3gnq n ILE 329 N -4.47 0.00 0.26 0.00 2.08 -1.03 -2.58 119.36 113.63 3gnq n ILE 329 Ca 0.11 1.24 0.12 0.00 0.56 0.00 0.00 62.75 64.78 3gnq n ILE 329 Cb 0.40 -2.23 0.54 0.00 -0.75 0.00 0.00 39.64 37.60 3gnq n ILE 329 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gnq h ALA 330 N -2.00 1.76 0.18 -1.39 0.00 -1.59 0.58 119.26 116.80 3gnq h ALA 330 Ca 0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 3gnq h ALA 330 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3gnq h ALA 330 CO 0.00 -0.68 -1.62 1.25 0.00 0.00 0.00 179.25 178.19 3gnq h LEU 331 N 0.00 0.60 -0.38 0.00 5.85 -1.30 -3.18 115.31 116.90 3gnq h LEU 331 Ca 0.06 -0.92 -0.19 0.00 0.84 0.00 0.00 57.88 57.67 3gnq h LEU 331 Cb 1.29 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3gnq h LEU 331 CO -0.00 1.74 -0.76 0.00 -0.34 0.00 0.00 178.44 179.08 3gnq h ALA 332 N 0.08 0.58 -0.31 1.25 0.00 -0.66 -3.10 119.26 117.11 3gnq h ALA 332 Ca -0.32 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 53.90 3gnq h ALA 332 Cb 2.03 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.72 3gnq h ALA 332 CO 0.17 0.78 0.08 0.09 0.00 0.00 0.00 179.25 180.37 3gnq n ASN 333 N -3.81 3.18 -4.76 0.00 4.13 -0.57 -4.97 115.26 108.45 3gnq n ASN 333 Ca -0.04 -2.50 -0.40 0.00 1.68 0.00 0.00 54.58 53.32 3gnq n ASN 333 Cb 0.72 -0.60 -0.04 0.00 -1.54 0.00 0.00 39.78 38.33 3gnq n ASN 333 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gnq s ALA 334 N -1.69 3.38 0.00 5.41 0.00 -1.17 -4.98 121.76 122.71 3gnq s ALA 334 Ca 0.25 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.18 3gnq s ALA 334 Cb 0.19 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3gnq s ALA 334 CO 0.06 -0.31 0.00 1.63 0.00 0.00 0.00 175.76 177.14