#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 5.04 -0.19 12.58 1.09 -1.05 -4.94 121.20 133.73 3gnq s ILE 2 Ca 0.00 1.44 -0.18 0.00 -1.10 0.00 0.00 60.65 60.82 3gnq s ILE 2 Cb 0.00 -4.04 -0.03 0.00 -1.06 0.00 0.00 42.46 37.32 3gnq s ILE 2 CO 0.00 0.23 0.48 -0.13 -0.10 0.00 0.00 174.94 175.42 3gnq s ARG 3 N 0.93 4.20 0.09 2.79 0.52 -1.26 -1.99 118.95 124.23 3gnq s ARG 3 Ca 0.37 0.36 0.07 0.00 -0.52 0.00 0.00 55.73 56.01 3gnq s ARG 3 Cb -0.18 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.72 3gnq s ARG 3 CO 0.17 -0.09 -0.18 0.08 0.02 0.00 0.00 175.30 175.30 3gnq s VAL 4 N 1.46 1.49 0.40 3.52 1.01 -0.72 -0.82 120.40 126.74 3gnq s VAL 4 Ca 0.23 -1.43 0.04 0.00 0.00 0.00 0.00 61.98 60.81 3gnq s VAL 4 Cb -0.15 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3gnq s VAL 4 CO 0.09 -0.11 0.11 0.00 0.00 0.00 0.00 175.10 175.20 3gnq s ALA 5 N -1.18 2.92 -0.00 5.51 0.00 -0.90 0.68 121.76 128.79 3gnq s ALA 5 Ca 0.03 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.70 3gnq s ALA 5 Cb -0.10 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.71 3gnq s ALA 5 CO 0.03 -0.31 -0.01 0.42 0.00 0.00 0.00 175.76 175.89 3gnq s ILE 6 N -3.20 0.12 -0.06 0.00 1.01 -0.56 -3.18 121.20 115.33 3gnq s ILE 6 Ca 0.24 -0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.89 3gnq s ILE 6 Cb 0.03 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.38 3gnq s ILE 6 CO 0.14 0.04 -0.24 0.21 0.00 0.00 0.00 174.94 175.09 3gnq s ASN 7 N 0.02 2.94 0.06 3.58 2.47 0.93 -2.22 114.94 122.72 3gnq s ASN 7 Ca 0.00 -0.49 0.00 0.00 0.42 0.00 0.00 52.86 52.79 3gnq s ASN 7 Cb -0.01 -0.84 0.00 0.00 -1.45 0.00 0.00 41.25 38.95 3gnq s ASN 7 CO -0.00 0.23 0.00 0.61 -3.72 0.00 0.00 177.10 174.22 3gnq n GLY 8 N 3.00 -4.02 2.59 1.21 0.00 -1.26 -1.12 105.19 105.60 3gnq n GLY 8 Ca -0.18 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 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 0.32 2.65 -0.68 1.61 4.19 -1.26 -4.38 117.16 119.60 3gnq n TYR 9 Ca 0.00 -3.34 0.00 0.00 3.31 0.00 0.00 57.90 57.87 3gnq n TYR 9 Cb 0.00 -0.29 0.00 0.00 0.49 0.00 0.00 39.34 39.54 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 -0.23 1.53 0.24 2.98 0.00 -1.26 -4.36 105.19 104.08 3gnq n GLY 10 Ca 0.29 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.34 0.08 1.61 3.08 -1.96 0.16 114.38 117.00 3gnq h ARG 11 Ca 0.00 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3gnq h ARG 11 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3gnq h ARG 11 CO 0.00 -0.23 -0.04 0.82 -1.07 0.00 0.00 179.97 179.45 3gnq h ILE 12 N -0.36 0.95 0.00 2.04 2.04 -1.93 -1.90 117.51 118.36 3gnq h ILE 12 Ca 0.04 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3gnq h ILE 12 Cb 0.40 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3gnq h ILE 12 CO -0.14 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.64 3gnq n GLY 13 N -1.02 -3.02 0.36 5.37 0.00 -1.11 -0.51 105.19 105.25 3gnq n GLY 13 Ca -0.08 0.48 0.07 0.00 0.00 0.00 0.00 46.02 46.49 3gnq n GLY 13 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gnq h ARG 14 N 0.00 0.74 0.00 1.61 3.08 -0.73 -1.64 114.38 117.44 3gnq h ARG 14 Ca 0.00 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 3gnq h ARG 14 Cb 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3gnq h ARG 14 CO 0.00 0.49 -0.42 -0.91 -1.07 0.00 0.00 179.97 178.06 3gnq h ASN 15 N 0.77 0.00 -0.19 7.04 2.35 -1.04 0.44 115.58 124.94 3gnq h ASN 15 Ca 0.34 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.04 3gnq h ASN 15 Cb 0.34 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3gnq h ASN 15 CO -0.12 0.42 -0.08 0.74 -1.65 0.00 0.00 177.43 176.74 3gnq h THR 16 N 0.00 1.30 0.30 2.81 2.02 0.09 0.12 112.91 119.55 3gnq h THR 16 Ca -0.00 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 3gnq h THR 16 Cb 1.18 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 3gnq h THR 16 CO 0.05 0.33 -0.19 0.25 0.37 0.00 0.00 175.52 176.34 3gnq h LEU 17 N 0.08 -0.47 -0.67 2.58 6.46 -1.15 -2.33 115.31 119.80 3gnq h LEU 17 Ca 0.04 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 57.92 3gnq h LEU 17 Cb 0.55 0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 40.55 3gnq h LEU 17 CO 0.02 -0.30 0.32 0.03 -0.62 0.00 0.00 178.44 177.89 3gnq h ARG 18 N -0.47 0.54 -0.38 1.25 3.08 -0.98 -2.47 114.38 114.95 3gnq h ARG 18 Ca -0.03 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.07 3gnq h ARG 18 Cb 0.39 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.23 3gnq h ARG 18 CO 0.03 0.36 -0.29 0.00 -1.07 0.00 0.00 179.97 178.99 3gnq h ALA 19 N 1.41 -0.11 0.25 0.04 0.00 -0.52 0.15 119.26 120.47 3gnq h ALA 19 Ca 0.33 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3gnq h ALA 19 Cb 0.34 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3gnq h ALA 19 CO -0.26 -0.68 -0.27 0.35 0.00 0.00 0.00 179.25 178.39 3gnq h PHE 20 N -0.23 -0.71 -0.57 0.00 3.57 -0.97 -1.52 116.94 116.51 3gnq h PHE 20 Ca 0.18 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3gnq h PHE 20 Cb 0.51 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 3gnq h PHE 20 CO -0.50 -0.39 0.27 1.88 -2.23 0.00 0.00 178.31 177.34 3gnq h TYR 21 N -0.56 0.80 0.00 0.41 -1.99 -1.28 -2.49 116.97 111.87 3gnq h TYR 21 Ca -0.00 -0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.59 3gnq h TYR 21 Cb 0.52 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 3gnq h TYR 21 CO -0.18 0.59 -0.54 0.93 -0.00 0.00 0.00 178.16 178.96 3gnq h GLU 22 N 0.81 0.00 -0.11 4.88 5.08 -0.32 -2.95 114.58 121.97 3gnq h GLU 22 Ca 0.20 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 3gnq h GLU 22 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3gnq h GLU 22 CO -0.03 0.54 -0.27 -0.97 -1.00 0.00 0.00 179.01 177.29 3gnq h ASN 23 N 0.00 0.19 0.00 1.42 -1.24 -1.12 -3.46 115.58 111.36 3gnq h ASN 23 Ca -0.01 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.95 3gnq h ASN 23 Cb 0.99 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.99 3gnq h ASN 23 CO 0.07 0.46 0.00 0.61 -1.29 0.00 0.00 177.43 177.28 3gnq n GLY 24 N -0.57 1.73 2.62 1.57 0.00 -1.11 -4.61 105.19 104.81 3gnq n GLY 24 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.54 -2.55 0.00 1.61 5.02 -0.95 -4.85 118.16 115.90 3gnq n LYS 25 Ca 0.00 0.51 0.11 0.00 -2.02 0.00 0.00 58.31 56.91 3gnq n LYS 25 Cb 0.00 -5.12 0.50 0.00 -0.02 0.00 0.00 35.03 30.39 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 -2.95 0.04 -2.47 1.97 5.02 -1.26 -4.62 118.16 113.89 3gnq n LYS 26 Ca -0.11 0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 3gnq n LYS 26 Cb 0.59 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 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 -2.95 3.52 -0.90 2.13 3.76 -1.26 -4.93 115.29 114.66 3gnq s HIS 27 Ca 0.12 1.47 -0.25 0.00 -0.15 0.00 0.00 55.06 56.26 3gnq s HIS 27 Cb 0.15 -3.34 -0.18 0.00 1.11 0.00 0.00 32.58 30.32 3gnq s HIS 27 CO 0.41 -0.89 1.92 -3.47 -0.85 0.00 0.00 174.74 171.86 3gnq n ASP 28 N 3.04 2.30 -3.44 1.40 2.03 -1.26 -4.78 116.55 115.83 3gnq n ASP 28 Ca 0.05 -2.62 -0.12 0.00 0.52 0.00 0.00 54.79 52.62 3gnq n ASP 28 Cb 0.46 -1.41 -0.02 0.00 -0.72 0.00 0.00 41.12 39.43 3gnq n ASP 28 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3gnq s LEU 29 N 8.42 -0.55 -0.17 -2.67 0.20 -1.26 -2.51 118.68 120.14 3gnq s LEU 29 Ca 0.69 -0.02 -0.05 0.00 0.69 0.00 0.00 54.13 55.44 3gnq s LEU 29 Cb 0.04 2.56 0.08 0.00 -0.43 0.00 0.00 46.19 48.45 3gnq s LEU 29 CO 0.17 -0.96 0.33 -1.83 -0.29 0.00 0.00 176.35 173.77 3gnq s GLU 30 N -3.71 0.23 -0.49 1.98 4.04 -0.84 -4.88 118.70 115.02 3gnq s GLU 30 Ca 0.02 0.82 -0.29 0.00 0.04 0.00 0.00 54.97 55.56 3gnq s GLU 30 Cb -0.01 0.03 0.02 0.00 0.02 0.00 0.00 34.13 34.19 3gnq s GLU 30 CO -0.12 -0.31 1.22 0.42 -1.84 0.00 0.00 175.26 174.63 3gnq s ILE 31 N 2.50 4.08 -1.10 1.83 1.01 -1.26 -1.76 121.20 126.50 3gnq s ILE 31 Ca 0.01 1.06 0.11 0.00 0.00 0.00 0.00 60.65 61.84 3gnq s ILE 31 Cb -0.12 -4.54 0.26 0.00 0.01 0.00 0.00 42.46 38.07 3gnq s ILE 31 CO -0.11 -1.03 1.17 1.33 0.00 0.00 0.00 174.94 176.30 3gnq n VAL 32 N 6.88 0.75 -3.58 2.92 0.24 0.22 -4.76 118.33 120.99 3gnq n VAL 32 Ca 0.12 -0.87 -0.12 0.00 -2.04 0.00 0.00 64.34 61.43 3gnq n VAL 32 Cb 0.49 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.49 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 -0.99 -1.91 -0.13 2.33 0.00 -1.25 -3.27 121.76 116.54 3gnq s ALA 33 Ca 0.22 1.59 -0.05 0.00 0.00 0.00 0.00 51.96 53.72 3gnq s ALA 33 Cb 0.12 -0.70 0.06 0.00 0.00 0.00 0.00 23.12 22.60 3gnq s ALA 33 CO 0.16 -0.31 0.28 0.42 0.00 0.00 0.00 175.76 176.31 3gnq s ILE 34 N -0.89 -0.36 -0.26 0.00 1.01 -0.24 -1.50 121.20 118.96 3gnq s ILE 34 Ca -0.03 0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.97 3gnq s ILE 34 Cb -0.01 -0.45 0.46 0.00 0.01 0.00 0.00 42.46 42.47 3gnq s ILE 34 CO 0.02 0.10 1.18 -3.20 0.00 0.00 0.00 174.94 173.04 3gnq n ASN 35 N 5.13 3.84 -2.99 3.58 4.05 -0.94 -1.56 115.26 126.37 3gnq n ASN 35 Ca -0.10 -3.47 -0.08 0.00 0.45 0.00 0.00 54.58 51.38 3gnq n ASN 35 Cb 0.50 -0.39 0.08 0.00 1.23 0.00 0.00 39.78 41.20 3gnq n ASN 35 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3gnq n ASP 36 N -0.72 -2.29 -0.00 1.20 2.03 -1.26 -4.10 116.55 111.41 3gnq n ASP 36 Ca 0.34 -0.35 0.01 0.00 0.52 0.00 0.00 54.79 55.31 3gnq n ASP 36 Cb 0.91 -0.27 -0.02 0.00 -0.72 0.00 0.00 41.12 41.02 3gnq n ASP 36 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3gnq n LEU 37 N 0.00 0.00 -4.73 -2.67 4.77 -1.26 -4.43 117.00 108.68 3gnq n LEU 37 Ca 0.04 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 3gnq n LEU 37 Cb 0.16 0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 3gnq n LEU 37 CO 0.11 0.02 0.80 -0.83 -1.33 0.00 0.00 177.39 176.16 3gnq s GLY 38 N -2.56 2.40 1.00 -0.72 0.00 -1.26 -4.99 107.32 101.19 3gnq s GLY 38 Ca -0.01 0.89 -0.12 0.00 0.00 0.00 0.00 44.72 45.48 3gnq s GLY 38 CO 0.10 1.30 1.09 0.51 0.00 0.00 0.00 173.10 176.10 3gnq s ASP 39 N -1.99 2.56 0.10 1.64 -4.77 -1.26 -4.85 116.67 108.11 3gnq s ASP 39 Ca 0.75 1.25 0.00 0.00 -3.30 0.00 0.00 52.55 51.25 3gnq s ASP 39 Cb -0.29 -1.93 -0.22 0.00 -1.09 0.00 0.00 42.92 39.39 3gnq s ASP 39 CO 0.44 -3.18 1.22 0.00 0.70 0.00 0.00 175.17 174.35 3gnq h ALA 40 N -1.92 0.23 -0.50 2.11 0.00 -1.94 -2.91 119.26 114.33 3gnq h ALA 40 Ca -0.55 -0.87 0.09 0.00 0.00 0.00 0.00 54.91 53.58 3gnq h ALA 40 Cb 1.32 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 3gnq h ALA 40 CO 0.57 1.05 0.09 1.57 0.00 0.00 0.00 179.25 182.53 3gnq h LYS 41 N 0.06 0.22 -0.64 0.00 5.09 -1.94 -2.07 116.57 117.29 3gnq h LYS 41 Ca -0.08 -0.01 -0.06 0.00 0.09 0.00 0.00 60.65 60.58 3gnq h LYS 41 Cb 1.84 -0.05 -0.03 0.00 0.10 0.00 0.00 32.23 34.10 3gnq h LYS 41 CO 0.17 0.14 0.15 1.15 -2.09 0.00 0.00 179.45 178.97 3gnq h THR 42 N 0.22 1.26 0.00 0.07 2.02 -1.91 -2.50 112.91 112.08 3gnq h THR 42 Ca 0.25 -0.95 -0.14 0.00 0.77 0.00 0.00 66.41 66.34 3gnq h THR 42 Cb 0.35 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3gnq h THR 42 CO -0.34 0.36 -0.68 0.78 0.37 0.00 0.00 175.52 176.01 3gnq h ASN 43 N 0.95 0.00 -0.16 4.18 2.35 -1.39 -2.56 115.58 118.95 3gnq h ASN 43 Ca 0.20 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3gnq h ASN 43 Cb 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3gnq h ASN 43 CO 0.00 0.68 0.00 0.00 -1.65 0.00 0.00 177.43 176.47 3gnq h ALA 44 N 1.32 0.22 -0.91 -0.83 0.00 -1.27 -1.48 119.26 116.30 3gnq h ALA 44 Ca -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3gnq h ALA 44 Cb 1.23 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3gnq h ALA 44 CO 0.09 -0.08 0.60 1.25 0.00 0.00 0.00 179.25 181.11 3gnq h HIS 45 N 0.04 1.12 0.00 0.00 -0.00 -1.42 0.49 115.15 115.38 3gnq h HIS 45 Ca 0.05 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3gnq h HIS 45 Cb 0.37 -0.37 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3gnq h HIS 45 CO 0.03 0.67 -0.03 -0.07 -0.00 0.00 0.00 177.93 178.53 3gnq h LEU 46 N 1.17 0.00 0.01 0.26 3.38 -1.38 -0.79 115.31 117.97 3gnq h LEU 46 Ca 0.35 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 3gnq h LEU 46 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3gnq h LEU 46 CO -0.09 0.00 -0.18 0.74 0.09 0.00 0.00 178.44 179.00 3gnq h THR 47 N 0.00 1.62 0.05 0.22 2.02 -0.53 -3.37 112.91 112.93 3gnq h THR 47 Ca 0.00 -2.06 -0.00 0.00 0.77 0.00 0.00 66.41 65.12 3gnq h THR 47 Cb 0.82 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 3gnq h THR 47 CO 0.00 0.55 -0.03 -0.61 0.37 0.00 0.00 175.52 175.81 3gnq h GLN 48 N -0.67 -0.07 -5.74 6.66 5.75 -0.81 -3.40 115.11 116.82 3gnq h GLN 48 Ca -0.03 0.00 -0.66 0.00 -0.15 0.00 0.00 58.65 57.82 3gnq h GLN 48 Cb 1.00 0.02 -0.19 0.00 1.07 0.00 0.00 27.48 29.38 3gnq h GLN 48 CO 0.03 0.04 -0.67 0.71 -2.65 0.00 0.00 178.83 176.30 3gnq s TYR 49 N -5.81 3.03 -0.15 3.99 2.02 -0.31 -0.42 117.35 119.69 3gnq s TYR 49 Ca -0.14 -0.07 -0.09 0.00 -0.37 0.00 0.00 57.07 56.40 3gnq s TYR 49 Cb 0.05 -1.83 0.05 0.00 -0.40 0.00 0.00 41.96 39.83 3gnq s TYR 49 CO 0.66 0.21 0.36 0.34 -1.57 0.00 0.00 175.55 175.54 3gnq s ASP 50 N -0.33 -0.43 0.06 2.29 -1.08 -1.22 -4.50 116.67 111.46 3gnq s ASP 50 Ca 0.05 0.77 -0.35 0.00 -0.52 0.00 0.00 52.55 52.50 3gnq s ASP 50 Cb -0.12 0.68 -0.20 0.00 -1.46 0.00 0.00 42.92 41.82 3gnq s ASP 50 CO 0.02 -0.17 1.59 0.74 0.52 0.00 0.00 175.17 177.87 3gnq h THR 51 N 5.37 0.18 0.02 1.71 2.02 -1.97 -0.27 112.91 119.96 3gnq h THR 51 Ca -0.35 -0.01 -0.24 0.00 0.77 0.00 0.00 66.41 66.58 3gnq h THR 51 Cb 1.18 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3gnq h THR 51 CO 0.31 0.00 -1.01 0.00 0.37 0.00 0.00 175.52 175.19 3gnq h ALA 52 N -0.95 0.28 -0.25 6.16 0.00 -1.97 -3.22 119.26 119.31 3gnq h ALA 52 Ca -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3gnq h ALA 52 Cb 0.86 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3gnq h ALA 52 CO 0.19 0.80 0.00 0.72 0.00 0.00 0.00 179.25 180.95 3gnq n HIS 53 N -3.75 0.31 -1.02 0.00 8.25 -1.25 -4.95 115.22 112.80 3gnq n HIS 53 Ca -0.08 -0.18 0.11 0.00 -0.26 0.00 0.00 57.72 57.31 3gnq n HIS 53 Cb 0.87 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.95 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 1.20 -2.03 3.74 -1.41 0.00 -0.11 -4.83 105.19 101.75 3gnq n GLY 54 Ca 0.15 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 3gnq n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gnq n LYS 55 N -2.84 2.65 -2.00 1.61 3.00 -1.26 -3.46 118.16 115.87 3gnq n LYS 55 Ca 0.01 0.94 -0.42 0.00 -0.00 0.00 0.00 58.31 58.84 3gnq n LYS 55 Cb 0.37 -2.72 -0.03 0.00 0.00 0.00 0.00 35.03 32.65 3gnq n LYS 55 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3gnq s PHE 56 N 0.04 2.54 -1.40 5.64 5.36 0.44 -4.91 117.98 125.70 3gnq s PHE 56 Ca 0.65 0.45 -0.14 0.00 -0.96 0.00 0.00 56.93 56.93 3gnq s PHE 56 Cb -0.51 -3.89 0.07 0.00 -0.34 0.00 0.00 43.02 38.35 3gnq s PHE 56 CO 0.48 -3.52 2.09 -0.35 -1.46 0.00 0.00 175.22 172.45 3gnq n PRO 57 N 5.48 3.03 -3.92 10.12 -0.04 -1.26 -4.81 135.00 143.60 3gnq n PRO 57 Ca 0.15 -2.87 0.05 0.00 -0.04 0.00 0.00 63.50 60.79 3gnq n PRO 57 Cb 0.41 -3.26 0.01 0.00 -0.04 0.00 0.00 33.50 30.62 3gnq n PRO 57 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3gnq s GLY 58 N 2.98 -0.29 -0.21 0.55 0.00 -1.26 -5.03 107.32 104.06 3gnq s GLY 58 Ca 0.47 0.35 -0.09 0.00 0.00 0.00 0.00 44.72 45.45 3gnq s GLY 58 CO -0.05 5.34 0.11 -0.54 0.00 0.00 0.00 173.10 177.96 3gnq s GLU 59 N -2.01 4.02 -0.05 2.90 2.02 -1.26 -4.97 118.70 119.34 3gnq s GLU 59 Ca 0.28 -0.31 0.03 0.00 0.02 0.00 0.00 54.97 54.99 3gnq s GLU 59 Cb 0.02 -3.39 0.01 0.00 0.10 0.00 0.00 34.13 30.87 3gnq s GLU 59 CO -0.04 0.15 -0.12 0.08 0.02 0.00 0.00 175.26 175.36 3gnq s VAL 60 N 0.76 1.05 0.31 2.63 1.01 -1.26 -1.54 120.40 123.36 3gnq s VAL 60 Ca 0.06 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 3gnq s VAL 60 Cb -0.13 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.32 3gnq s VAL 60 CO 0.02 0.33 0.66 -0.94 0.00 0.00 0.00 175.10 175.17 3gnq s SER 61 N 0.49 0.00 -0.09 3.32 1.04 -0.69 -5.01 113.70 112.77 3gnq s SER 61 Ca -0.10 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.39 3gnq s SER 61 Cb -0.14 0.73 0.01 0.00 0.10 0.00 0.00 66.02 66.73 3gnq s SER 61 CO 0.03 -1.41 -0.13 0.68 0.98 0.00 0.00 173.24 173.38 3gnq s VAL 62 N -3.32 1.29 -0.59 5.02 -7.23 -1.26 -0.96 120.40 113.35 3gnq s VAL 62 Ca 0.17 -0.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.81 3gnq s VAL 62 Cb -0.04 -1.19 0.15 0.00 0.56 0.00 0.00 36.38 35.86 3gnq s VAL 62 CO 0.10 0.40 0.37 -0.62 -0.31 0.00 0.00 175.10 175.04 3gnq s ASP 63 N 0.86 4.78 1.72 4.85 2.15 -1.23 -5.02 116.67 124.78 3gnq s ASP 63 Ca -0.10 -3.03 0.00 0.00 0.43 0.00 0.00 52.55 49.85 3gnq s ASP 63 Cb -0.15 -1.74 0.00 0.00 -0.30 0.00 0.00 42.92 40.73 3gnq s ASP 63 CO 0.01 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 3gnq n GLY 64 N 3.16 3.35 2.91 2.66 0.00 -1.26 -3.57 105.19 112.43 3gnq n GLY 64 Ca 0.08 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 9.45 6.67 -3.57 1.61 10.43 -1.26 -4.94 116.55 134.95 3gnq n ASP 65 Ca 0.00 -3.48 -0.05 0.00 2.57 0.00 0.00 54.79 53.82 3gnq n ASP 65 Cb 0.00 -1.25 -0.02 0.00 1.84 0.00 0.00 41.12 41.69 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 -3.16 -0.21 -0.04 1.24 1.51 -1.23 -4.20 117.35 111.26 3gnq s TYR 66 Ca 0.33 0.10 0.03 0.00 -1.01 0.00 0.00 57.07 56.53 3gnq s TYR 66 Cb 0.09 0.53 0.00 0.00 -0.11 0.00 0.00 41.96 42.47 3gnq s TYR 66 CO 0.05 -0.38 -0.13 -1.17 -1.11 0.00 0.00 175.55 172.81 3gnq s LEU 67 N -2.40 1.81 -0.21 -1.29 2.96 0.33 -3.53 118.68 116.35 3gnq s LEU 67 Ca 0.08 -0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3gnq s LEU 67 Cb -0.01 -0.78 0.02 0.00 0.50 0.00 0.00 46.19 45.93 3gnq s LEU 67 CO -0.06 0.10 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.24 3gnq s VAL 68 N 0.22 2.48 -0.25 1.68 1.01 -0.14 0.68 120.40 126.08 3gnq s VAL 68 Ca -0.06 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 3gnq s VAL 68 Cb -0.11 -2.13 0.08 0.00 0.00 0.00 0.00 36.38 34.21 3gnq s VAL 68 CO 0.02 0.41 0.03 -0.69 0.00 0.00 0.00 175.10 174.87 3gnq s VAL 69 N 1.32 1.10 -1.44 2.92 1.01 -0.91 -1.70 120.40 122.69 3gnq s VAL 69 Ca 0.03 -1.17 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 3gnq s VAL 69 Cb -0.14 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.66 3gnq s VAL 69 CO -0.09 -0.35 0.62 0.59 0.00 0.00 0.00 175.10 175.87 3gnq n ASN 70 N 4.80 -1.58 0.00 3.32 3.02 -0.59 -2.75 115.26 121.47 3gnq n ASN 70 Ca -0.07 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3gnq n ASN 70 Cb 0.44 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 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 -1.76 3.24 3.80 7.41 0.00 -1.26 -5.04 105.19 111.58 3gnq n GLY 71 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.54 6.86 -0.39 1.61 1.01 -1.11 -5.03 116.67 119.07 3gnq s ASP 72 Ca 0.00 1.02 -0.22 0.00 0.71 0.00 0.00 52.55 54.06 3gnq s ASP 72 Cb 0.00 -2.30 0.01 0.00 1.01 0.00 0.00 42.92 41.65 3gnq s ASP 72 CO 0.00 0.22 0.71 -0.13 0.21 0.00 0.00 175.17 176.17 3gnq s ARG 73 N -0.60 3.60 -0.28 8.23 0.52 -1.26 -2.14 118.95 127.03 3gnq s ARG 73 Ca 0.26 0.05 -0.12 0.00 -0.52 0.00 0.00 55.73 55.40 3gnq s ARG 73 Cb -0.17 -3.85 -0.05 0.00 0.52 0.00 0.00 34.95 31.40 3gnq s ARG 73 CO 0.14 -0.88 0.22 0.42 0.02 0.00 0.00 175.30 175.23 3gnq s ILE 74 N 2.95 5.29 -0.14 1.52 1.09 0.21 -4.90 121.20 127.21 3gnq s ILE 74 Ca 0.27 0.25 -0.29 0.00 -1.10 0.00 0.00 60.65 59.77 3gnq s ILE 74 Cb -0.14 -3.56 -0.03 0.00 -1.06 0.00 0.00 42.46 37.67 3gnq s ILE 74 CO 0.17 0.23 1.54 -0.60 -0.10 0.00 0.00 174.94 176.19 3gnq s ARG 75 N 1.81 4.05 0.27 2.79 6.06 -1.20 -0.51 118.95 132.21 3gnq s ARG 75 Ca 0.09 1.86 -0.21 0.00 -2.50 0.00 0.00 55.73 54.97 3gnq s ARG 75 Cb -0.16 -3.95 -0.09 0.00 0.06 0.00 0.00 34.95 30.81 3gnq s ARG 75 CO 0.11 -0.98 0.79 0.08 -2.50 0.00 0.00 175.30 172.80 3gnq s VAL 76 N 4.33 4.49 0.08 7.11 1.01 -1.26 -1.08 120.40 135.08 3gnq s VAL 76 Ca 0.68 1.37 0.01 0.00 0.00 0.00 0.00 61.98 64.04 3gnq s VAL 76 Cb -0.27 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 3gnq s VAL 76 CO 0.26 0.11 0.02 0.18 0.00 0.00 0.00 175.10 175.68 3gnq n LEU 77 N 0.47 0.00 -0.83 3.92 4.77 -0.60 -4.86 117.00 119.87 3gnq n LEU 77 Ca -0.00 -0.58 -0.05 0.00 -0.03 0.00 0.00 56.01 55.35 3gnq n LEU 77 Cb 0.51 0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 3gnq n LEU 77 CO 0.43 -0.09 0.31 0.00 -1.33 0.00 0.00 177.39 176.71 3gnq n ALA 78 N -2.65 3.07 -2.70 -1.18 0.00 -1.26 -4.59 120.51 111.20 3gnq n ALA 78 Ca -0.03 -0.47 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 3gnq n ALA 78 Cb 0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.68 6.97 0.36 0.00 3.84 -1.26 -4.95 114.94 119.21 3gnq s ASN 79 Ca 0.00 1.17 0.16 0.00 0.21 0.00 0.00 52.86 54.39 3gnq s ASN 79 Cb 0.00 -2.42 0.67 0.00 -0.55 0.00 0.00 41.25 38.96 3gnq s ASN 79 CO 0.00 -0.18 1.76 0.08 -2.79 0.00 0.00 177.10 175.96 3gnq h ARG 80 N 6.93 0.00 -5.27 0.43 -0.00 -1.97 -3.44 114.38 111.06 3gnq h ARG 80 Ca -0.38 0.00 -0.61 0.00 -0.00 0.00 0.00 59.98 58.99 3gnq h ARG 80 Cb 1.18 0.00 -0.14 0.00 -0.00 0.00 0.00 29.97 31.01 3gnq h ARG 80 CO 0.77 0.41 -0.53 1.21 -0.00 0.00 0.00 179.97 181.83 3gnq s ASN 81 N -6.65 5.85 0.42 0.08 2.47 -1.26 -5.01 114.94 110.85 3gnq s ASN 81 Ca -0.01 0.14 0.22 0.00 0.42 0.00 0.00 52.86 53.63 3gnq s ASN 81 Cb 0.12 -2.01 0.33 0.00 -1.45 0.00 0.00 41.25 38.25 3gnq s ASN 81 CO 0.71 0.17 1.60 1.55 -3.72 0.00 0.00 177.10 177.41 3gnq h PRO 82 N 6.70 0.00 0.00 0.43 0.14 -1.85 -3.32 132.00 134.10 3gnq h PRO 82 Ca -0.38 0.00 -0.00 0.00 0.14 0.00 0.00 66.00 65.75 3gnq h PRO 82 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.30 3gnq h PRO 82 CO 0.72 0.08 -0.01 0.00 0.14 0.00 0.00 178.00 178.93 3gnq h ALA 83 N 1.92 1.01 0.00 -0.56 0.00 -1.87 -3.26 119.26 116.51 3gnq h ALA 83 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gnq h ALA 83 Cb 1.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3gnq h ALA 83 CO 0.01 0.02 -0.04 -0.85 0.00 0.00 0.00 179.25 178.39 3gnq n GLU 84 N -3.12 1.85 -2.28 0.00 0.28 -1.25 -3.05 120.64 113.07 3gnq n GLU 84 Ca -0.00 -1.73 -0.34 0.00 -0.16 0.00 0.00 57.16 54.93 3gnq n GLU 84 Cb 0.26 -1.08 -0.01 0.00 1.43 0.00 0.00 31.44 32.05 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 -1.47 3.71 0.48 -1.84 1.43 -1.23 -4.96 118.68 114.79 3gnq s LEU 85 Ca 0.11 2.01 0.24 0.00 -1.03 0.00 0.00 54.13 55.46 3gnq s LEU 85 Cb 0.10 -4.56 1.19 0.00 0.03 0.00 0.00 46.19 42.95 3gnq s LEU 85 CO 0.01 -1.09 1.97 1.55 0.23 0.00 0.00 176.35 179.02 3gnq h PRO 86 N 1.09 0.00 0.00 1.29 0.13 -1.93 -3.42 132.00 129.15 3gnq h PRO 86 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3gnq h PRO 86 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3gnq h PRO 86 CO 0.57 0.19 0.00 0.91 -0.23 0.00 0.00 178.00 179.45 3gnq n TRP 87 N -3.67 0.00 0.24 1.56 5.03 -1.23 -0.00 117.44 119.37 3gnq n TRP 87 Ca -0.01 0.00 0.11 0.00 3.03 0.00 0.00 57.50 60.63 3gnq n TRP 87 Cb 0.31 0.00 0.62 0.00 -1.03 0.00 0.00 31.31 31.21 3gnq n TRP 87 CO 0.00 0.00 0.00 0.78 -0.03 0.00 0.00 177.69 178.44 3gnq h GLY 88 N 0.00 0.00 0.35 6.99 0.00 -1.70 0.16 103.07 108.87 3gnq h GLY 88 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 3gnq h GLY 88 CO 0.00 0.00 0.38 -2.09 0.00 0.00 0.00 176.54 174.83 3gnq h GLU 89 N 0.00 0.58 -0.44 4.80 4.81 -0.72 -3.00 114.58 120.61 3gnq h GLU 89 Ca -0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3gnq h GLU 89 Cb 0.49 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3gnq h GLU 89 CO 0.02 0.39 0.00 1.47 -0.73 0.00 0.00 179.01 180.16 3gnq n LEU 90 N -4.88 4.73 -2.37 1.64 -0.00 0.42 -4.98 117.00 111.57 3gnq n LEU 90 Ca 0.14 -2.88 -0.17 0.00 -0.00 0.00 0.00 56.01 53.10 3gnq n LEU 90 Cb 0.35 -0.59 0.03 0.00 -0.00 0.00 0.00 43.42 43.20 3gnq n LEU 90 CO 0.23 0.67 0.04 0.61 -0.00 0.00 0.00 177.39 178.94 3gnq n GLY 91 N 0.18 -0.18 3.62 1.47 0.00 -0.28 -4.91 105.19 105.08 3gnq n GLY 91 Ca 0.24 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.05 3.66 0.06 1.61 1.01 -0.90 -4.56 120.40 118.22 3gnq s VAL 92 Ca 0.27 0.72 -0.12 0.00 0.00 0.00 0.00 61.98 62.85 3gnq s VAL 92 Cb -0.12 -3.76 -0.30 0.00 0.00 0.00 0.00 36.38 32.20 3gnq s VAL 92 CO 0.33 -0.39 1.10 0.44 0.00 0.00 0.00 175.10 176.58 3gnq h ASP 93 N 11.34 0.73 -3.59 3.32 3.32 -1.33 -3.05 116.42 127.17 3gnq h ASP 93 Ca -0.33 -0.73 -0.23 0.00 0.02 0.00 0.00 57.03 55.77 3gnq h ASP 93 Cb 1.15 -0.23 -0.30 0.00 0.22 0.00 0.00 39.33 40.17 3gnq h ASP 93 CO 1.02 1.55 -0.61 -0.69 -1.72 0.00 0.00 179.24 178.79 3gnq s VAL 94 N -2.81 -0.03 0.12 -1.35 1.01 -1.22 -1.79 120.40 114.33 3gnq s VAL 94 Ca -0.08 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.10 3gnq s VAL 94 Cb 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 3gnq s VAL 94 CO 0.92 0.04 -0.17 -0.69 0.00 0.00 0.00 175.10 175.20 3gnq s VAL 95 N 0.66 2.89 -0.21 2.92 1.01 -1.21 -2.12 120.40 124.35 3gnq s VAL 95 Ca -0.05 -1.52 0.01 0.00 0.00 0.00 0.00 61.98 60.42 3gnq s VAL 95 Cb -0.07 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 34.02 3gnq s VAL 95 CO -0.03 0.08 -0.11 -0.04 0.00 0.00 0.00 175.10 175.00 3gnq s MET 96 N -2.22 2.12 -0.45 2.72 -1.94 -1.19 -0.26 119.30 118.08 3gnq s MET 96 Ca 0.19 -0.92 -0.18 0.00 -1.71 0.00 0.00 55.69 53.07 3gnq s MET 96 Cb -0.10 -2.50 0.03 0.00 2.01 0.00 0.00 34.83 34.27 3gnq s MET 96 CO 0.11 -0.44 0.53 -2.00 -0.01 0.00 0.00 175.02 173.21 3gnq s GLU 97 N 1.35 3.14 -0.00 2.03 2.56 -0.91 -0.05 118.70 126.82 3gnq s GLU 97 Ca -0.02 -0.72 0.01 0.00 0.00 0.00 0.00 54.97 54.24 3gnq s GLU 97 Cb -0.17 -4.00 0.01 0.00 2.00 0.00 0.00 34.13 31.97 3gnq s GLU 97 CO -0.08 -0.98 0.89 0.00 -0.56 0.00 0.00 175.26 174.53 3gnq h THR 99 N 0.77 1.14 0.00 0.00 1.35 -1.83 -3.44 112.91 110.90 3gnq h THR 99 Ca 0.00 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 3gnq h THR 99 Cb 0.64 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 3gnq h THR 99 CO 0.00 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 3gnq n GLY 100 N 1.40 2.17 0.39 5.82 0.00 -1.26 -4.81 105.19 108.89 3gnq n GLY 100 Ca -0.06 -0.36 0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 0.08 -3.27 1.61 3.01 -1.26 -0.95 117.46 116.69 3gnq n PHE 101 Ca 0.00 0.09 -0.30 0.00 1.01 0.00 0.00 57.45 58.24 3gnq n PHE 101 Cb 0.00 -0.40 -0.06 0.00 -0.01 0.00 0.00 39.48 39.02 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 -3.27 3.40 0.01 1.38 3.72 -1.26 -4.92 117.46 116.52 3gnq n PHE 102 Ca 0.26 -3.79 -0.15 0.00 -0.05 0.00 0.00 57.45 53.72 3gnq n PHE 102 Cb 1.13 -0.70 -0.14 0.00 -0.94 0.00 0.00 39.48 38.83 3gnq n PHE 102 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3gnq h THR 103 N 3.17 0.87 -4.14 4.37 1.35 -1.45 -3.43 112.91 113.66 3gnq h THR 103 Ca 0.20 -2.63 -0.45 0.00 -0.55 0.00 0.00 66.41 62.98 3gnq h THR 103 Cb 0.62 2.54 0.14 0.00 -1.73 0.00 0.00 68.15 69.73 3gnq h THR 103 CO 0.94 0.71 0.30 -0.94 -0.25 0.00 0.00 175.52 176.29 3gnq s SER 104 N -6.63 3.18 0.07 5.36 1.04 -1.26 -4.48 113.70 110.98 3gnq s SER 104 Ca -0.11 0.80 -0.17 0.00 0.48 0.00 0.00 55.95 56.94 3gnq s SER 104 Cb 0.07 -1.24 -0.12 0.00 0.10 0.00 0.00 66.02 64.83 3gnq s SER 104 CO 0.81 -2.74 1.36 0.50 0.98 0.00 0.00 173.24 174.15 3gnq h LYS 105 N -1.63 0.55 -0.10 4.02 1.63 -1.89 -1.85 116.57 117.30 3gnq h LYS 105 Ca -0.49 -0.31 -0.18 0.00 -0.85 0.00 0.00 60.65 58.82 3gnq h LYS 105 Cb 1.31 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.96 3gnq h LYS 105 CO 0.55 0.91 -0.71 1.49 -3.45 0.00 0.00 179.45 178.24 3gnq h GLU 106 N 0.22 0.45 -0.15 1.90 4.22 -1.95 -1.35 114.58 117.92 3gnq h GLU 106 Ca 0.03 -0.35 -0.08 0.00 0.08 0.00 0.00 59.36 59.03 3gnq h GLU 106 Cb 0.84 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3gnq h GLU 106 CO 0.06 0.98 -0.27 0.87 -2.18 0.00 0.00 179.01 178.48 3gnq h LYS 107 N 0.31 0.27 0.01 1.92 1.57 -1.94 -3.28 116.57 115.42 3gnq h LYS 107 Ca -0.03 -0.09 -0.20 0.00 -1.87 0.00 0.00 60.65 58.46 3gnq h LYS 107 Cb 1.28 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 3gnq h LYS 107 CO 0.12 0.53 -0.92 0.00 -0.57 0.00 0.00 179.45 178.60 3gnq h ALA 108 N 1.48 0.48 0.00 3.86 0.00 -0.90 -3.15 119.26 121.03 3gnq h ALA 108 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3gnq h ALA 108 Cb 0.61 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gnq h ALA 108 CO 0.04 1.11 0.00 0.43 0.00 0.00 0.00 179.25 180.83 3gnq n SER 109 N -3.48 0.00 0.03 0.00 7.64 -0.55 -2.99 113.62 114.28 3gnq n SER 109 Ca -0.01 -0.08 0.04 0.00 1.01 0.00 0.00 58.87 59.83 3gnq n SER 109 Cb 0.87 -0.25 0.43 0.00 -1.01 0.00 0.00 64.21 64.24 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 2.99 1.68 -0.09 -0.43 0.00 -1.68 -1.80 119.26 119.93 3gnq h ALA 110 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3gnq h ALA 110 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3gnq h ALA 110 CO 0.00 0.27 -0.20 0.45 0.00 0.00 0.00 179.25 179.77 3gnq h HIS 111 N 0.47 0.16 -0.35 0.00 3.86 -1.65 -1.40 115.15 116.24 3gnq h HIS 111 Ca 0.12 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.21 3gnq h HIS 111 Cb 0.02 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3gnq h HIS 111 CO 0.00 0.35 -0.17 -0.07 0.86 0.00 0.00 177.93 178.90 3gnq h LEU 112 N 0.14 0.76 -1.16 2.43 4.07 -1.48 -0.06 115.31 120.01 3gnq h LEU 112 Ca 0.03 -0.41 0.04 0.00 0.08 0.00 0.00 57.88 57.62 3gnq h LEU 112 Cb 0.45 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 3gnq h LEU 112 CO 0.03 1.00 0.58 0.11 -1.08 0.00 0.00 178.44 179.08 3gnq h LYS 113 N 0.52 1.05 0.00 1.13 1.57 -1.17 -2.21 116.57 117.45 3gnq h LYS 113 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3gnq h LYS 113 Cb 0.71 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3gnq h LYS 113 CO 0.05 0.69 0.00 0.41 -0.57 0.00 0.00 179.45 180.03 3gnq n GLY 114 N -1.40 -1.22 0.00 3.86 0.00 -0.55 -4.87 105.19 101.01 3gnq n GLY 114 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.25 1.28 3.74 -0.02 0.00 -0.83 -3.05 105.19 106.57 3gnq n GLY 115 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.84 3.59 -0.06 4.61 0.00 -0.10 -4.17 121.76 124.79 3gnq s ALA 116 Ca 0.00 1.26 0.16 0.00 0.00 0.00 0.00 51.96 53.38 3gnq s ALA 116 Cb 0.00 -3.53 0.22 0.00 0.00 0.00 0.00 23.12 19.81 3gnq s ALA 116 CO 0.00 -0.68 1.52 0.87 0.00 0.00 0.00 175.76 177.47 3gnq h LYS 117 N 5.04 0.00 -4.52 0.00 1.57 -1.58 -3.35 116.57 113.73 3gnq h LYS 117 Ca -0.46 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 57.99 3gnq h LYS 117 Cb 1.22 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.41 3gnq h LYS 117 CO 0.77 0.49 -0.42 0.15 -0.57 0.00 0.00 179.45 179.87 3gnq s LYS 118 N -3.11 1.64 -0.22 3.15 -0.14 -0.74 -4.75 119.74 115.56 3gnq s LYS 118 Ca 0.03 -1.79 -0.14 0.00 -1.36 0.00 0.00 55.97 52.70 3gnq s LYS 118 Cb 0.08 0.35 0.07 0.00 -1.68 0.00 0.00 37.83 36.65 3gnq s LYS 118 CO 0.73 -0.62 0.56 0.08 -0.76 0.00 0.00 175.35 175.34 3gnq s VAL 119 N -3.57 -0.01 -0.16 3.17 1.01 -0.07 -3.30 120.40 117.47 3gnq s VAL 119 Ca 0.36 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 3gnq s VAL 119 Cb 0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3gnq s VAL 119 CO 0.20 0.01 -0.02 -0.63 0.00 0.00 0.00 175.10 174.66 3gnq s ILE 120 N 1.23 3.99 -0.11 2.22 1.01 0.64 -1.44 121.20 128.75 3gnq s ILE 120 Ca -0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 3gnq s ILE 120 Cb -0.06 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 3gnq s ILE 120 CO -0.12 0.48 0.22 -0.63 0.00 0.00 0.00 174.94 174.89 3gnq s ILE 121 N 0.46 5.36 -0.56 2.92 1.01 -0.73 -2.14 121.20 127.52 3gnq s ILE 121 Ca -0.03 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 3gnq s ILE 121 Cb -0.14 -3.52 0.40 0.00 0.01 0.00 0.00 42.46 39.21 3gnq s ILE 121 CO 0.02 0.56 2.02 -1.54 0.00 0.00 0.00 174.94 176.00 3gnq n SER 122 N 2.36 7.12 -3.77 3.58 3.41 -1.12 -1.23 113.62 123.98 3gnq n SER 122 Ca -0.17 -3.57 -0.04 0.00 -0.26 0.00 0.00 58.87 54.83 3gnq n SER 122 Cb 0.54 -0.99 -0.01 0.00 -0.26 0.00 0.00 64.21 63.48 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 -3.23 -1.61 0.12 7.33 0.00 -1.17 -4.93 121.76 118.26 3gnq s ALA 123 Ca 0.55 0.08 -0.31 0.00 0.00 0.00 0.00 51.96 52.28 3gnq s ALA 123 Cb 0.43 0.66 -0.08 0.00 0.00 0.00 0.00 23.12 24.13 3gnq s ALA 123 CO -0.00 -1.05 1.38 -2.14 0.00 0.00 0.00 175.76 173.95 3gnq s PRO 124 N -3.34 4.33 0.24 0.00 0.02 -1.17 -3.74 135.00 131.34 3gnq s PRO 124 Ca 0.12 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.21 3gnq s PRO 124 Cb -0.02 -3.25 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 3gnq s PRO 124 CO 0.03 -0.42 0.42 0.20 -0.33 0.00 0.00 177.00 176.90 3gnq s GLY 125 N 1.07 1.59 0.82 0.52 0.00 -1.26 -4.97 107.32 105.09 3gnq s GLY 125 Ca 0.64 -0.91 -0.15 0.00 0.00 0.00 0.00 44.72 44.30 3gnq s GLY 125 CO 0.30 -0.87 0.46 0.61 0.00 0.00 0.00 173.10 173.61 3gnq n GLY 126 N -1.05 -1.76 2.66 0.20 0.00 -1.26 -4.75 105.19 99.23 3gnq n GLY 126 Ca -0.05 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 3gnq n GLY 126 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gnq n LYS 127 N -1.05 2.40 -1.94 1.61 4.01 -1.26 -3.79 118.16 118.14 3gnq n LYS 127 Ca 0.09 -1.84 -0.01 0.00 -0.51 0.00 0.00 58.31 56.04 3gnq n LYS 127 Cb 0.51 -2.73 0.03 0.00 -0.51 0.00 0.00 35.03 32.34 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 5.00 -0.52 -4.16 4.39 5.68 -1.26 -5.16 116.55 120.52 3gnq n ASP 128 Ca 0.54 -1.39 -0.19 0.00 -0.50 0.00 0.00 54.79 53.25 3gnq n ASP 128 Cb 0.24 0.31 -0.13 0.00 -1.14 0.00 0.00 41.12 40.41 3gnq n ASP 128 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3gnq s VAL 129 N 0.04 1.10 0.48 2.12 -7.23 -1.25 -4.62 120.40 111.04 3gnq s VAL 129 Ca 0.03 -1.16 0.25 0.00 -1.81 0.00 0.00 61.98 59.28 3gnq s VAL 129 Cb 0.12 -1.03 0.44 0.00 0.56 0.00 0.00 36.38 36.46 3gnq s VAL 129 CO -0.03 -0.13 1.86 0.44 -0.31 0.00 0.00 175.10 176.93 3gnq h ASP 130 N 4.58 0.21 -5.06 4.85 5.19 -1.93 -3.43 116.42 120.83 3gnq h ASP 130 Ca -0.40 0.03 0.09 0.00 -0.62 0.00 0.00 57.03 56.13 3gnq h ASP 130 Cb 1.19 -0.01 -0.07 0.00 0.18 0.00 0.00 39.33 40.61 3gnq h ASP 130 CO 0.42 0.07 0.30 0.00 -3.12 0.00 0.00 179.24 176.91 3gnq s ALA 131 N -5.21 -1.41 -0.11 3.45 0.00 -1.26 -5.03 121.76 112.19 3gnq s ALA 131 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3gnq s ALA 131 Cb 0.23 0.78 0.02 0.00 0.00 0.00 0.00 23.12 24.15 3gnq s ALA 131 CO 0.78 -0.99 -0.09 0.99 0.00 0.00 0.00 175.76 176.46 3gnq s THR 132 N -3.70 1.08 0.06 0.00 2.01 -1.26 -1.11 115.64 112.72 3gnq s THR 132 Ca 0.10 -0.35 0.09 0.00 0.31 0.00 0.00 61.69 61.84 3gnq s THR 132 Cb -0.04 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 3gnq s THR 132 CO 0.02 0.37 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.45 3gnq s ILE 133 N 1.48 2.33 -0.30 1.82 -1.09 0.79 -4.57 121.20 121.65 3gnq s ILE 133 Ca 0.01 -1.39 0.01 0.00 -2.23 0.00 0.00 60.65 57.05 3gnq s ILE 133 Cb -0.13 -1.94 0.09 0.00 -1.58 0.00 0.00 42.46 38.90 3gnq s ILE 133 CO -0.06 0.32 0.06 -0.69 -1.23 0.00 0.00 174.94 173.34 3gnq s VAL 134 N -0.87 1.31 0.24 2.92 1.01 -1.26 -4.06 120.40 119.69 3gnq s VAL 134 Ca 0.13 -1.59 -0.31 0.00 0.00 0.00 0.00 61.98 60.21 3gnq s VAL 134 Cb -0.10 -1.92 -0.11 0.00 0.00 0.00 0.00 36.38 34.25 3gnq s VAL 134 CO 0.03 -0.56 1.60 -0.47 0.00 0.00 0.00 175.10 175.71 3gnq s TYR 135 N 1.41 2.88 0.00 5.22 5.04 -1.26 -1.53 117.35 129.11 3gnq s TYR 135 Ca 0.08 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.38 3gnq s TYR 135 Cb -0.18 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.10 3gnq s TYR 135 CO -0.17 -3.63 0.00 0.41 -1.34 0.00 0.00 175.55 170.81 3gnq n GLY 136 N 2.92 0.59 0.80 8.97 0.00 -1.26 -4.85 105.19 112.35 3gnq n GLY 136 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.56 -1.54 1.61 0.31 -0.58 -4.62 118.33 112.07 3gnq n VAL 137 Ca 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.33 3gnq n VAL 137 Cb 0.00 -1.63 0.01 0.00 -0.91 0.00 0.00 33.84 31.31 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 -3.39 0.21 0.27 4.52 6.94 -1.02 -4.88 115.26 117.91 3gnq n ASN 138 Ca -0.11 -1.73 0.15 0.00 -0.02 0.00 0.00 54.58 52.87 3gnq n ASN 138 Cb 0.50 -0.14 0.70 0.00 -2.36 0.00 0.00 39.78 38.47 3gnq n ASN 138 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3gnq h HIS 139 N 0.00 0.00 0.00 -2.53 2.07 -1.92 -2.17 115.15 110.60 3gnq h HIS 139 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3gnq h HIS 139 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 3gnq h HIS 139 CO 0.06 0.09 0.05 -0.44 -3.07 0.00 0.00 177.93 174.61 3gnq h ASP 140 N 0.00 0.00 -0.10 3.10 3.32 -1.95 -2.27 116.42 118.52 3gnq h ASP 140 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gnq h ASP 140 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3gnq h ASP 140 CO 0.01 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.86 3gnq n VAL 141 N -2.59 0.46 -3.05 -1.35 0.24 -0.82 -4.87 118.33 106.35 3gnq n VAL 141 Ca -0.02 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.34 61.76 3gnq n VAL 141 Cb 0.09 -0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 31.99 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 -0.48 3.90 0.25 1.34 1.43 -0.86 -5.09 118.68 119.18 3gnq s LEU 142 Ca 0.09 0.90 -0.06 0.00 -1.03 0.00 0.00 54.13 54.03 3gnq s LEU 142 Cb 0.07 -3.76 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 3gnq s LEU 142 CO 0.03 -0.34 0.34 -0.54 0.23 0.00 0.00 176.35 176.07 3gnq s LYS 143 N -3.88 1.49 0.41 1.70 1.02 -1.26 -4.91 119.74 114.31 3gnq s LYS 143 Ca 0.47 -1.51 0.22 0.00 0.02 0.00 0.00 55.97 55.17 3gnq s LYS 143 Cb -0.10 0.39 0.79 0.00 -0.52 0.00 0.00 37.83 38.38 3gnq s LYS 143 CO 0.33 -0.57 1.78 0.00 -0.92 0.00 0.00 175.35 175.96 3gnq h ALA 144 N 2.36 1.00 -0.11 5.17 0.00 -1.29 -3.21 119.26 123.18 3gnq h ALA 144 Ca -0.30 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 3gnq h ALA 144 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3gnq h ALA 144 CO 0.42 0.36 -0.42 0.93 0.00 0.00 0.00 179.25 180.55 3gnq h GLU 145 N 0.00 0.26 -6.82 0.00 3.07 -1.97 -3.45 114.58 105.67 3gnq h GLU 145 Ca -0.00 -0.13 -0.52 0.00 -0.50 0.00 0.00 59.36 58.21 3gnq h GLU 145 Cb 0.83 -0.00 0.06 0.00 -0.84 0.00 0.00 28.75 28.80 3gnq h GLU 145 CO 0.04 0.64 0.69 -1.01 -1.40 0.00 0.00 179.01 177.96 3gnq s HIS 146 N -4.13 3.03 0.00 4.33 3.76 -1.21 -4.96 115.29 116.11 3gnq s HIS 146 Ca -0.05 1.25 0.00 0.00 -0.15 0.00 0.00 55.06 56.12 3gnq s HIS 146 Cb 0.13 -3.74 0.00 0.00 1.11 0.00 0.00 32.58 30.08 3gnq s HIS 146 CO 0.78 -2.19 0.00 0.25 -0.85 0.00 0.00 174.74 172.72 3gnq n THR 147 N 1.45 0.00 -3.19 1.30 -2.24 -1.26 -4.89 114.28 105.45 3gnq n THR 147 Ca 0.03 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.36 3gnq n THR 147 Cb 0.41 -0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.78 5.35 0.53 2.28 1.01 -1.26 -0.89 120.40 126.65 3gnq s VAL 148 Ca 0.00 -2.29 0.06 0.00 0.00 0.00 0.00 61.98 59.75 3gnq s VAL 148 Cb 0.00 -4.60 0.05 0.00 0.00 0.00 0.00 36.38 31.84 3gnq s VAL 148 CO 0.00 -1.22 0.73 0.27 0.00 0.00 0.00 175.10 174.89 3gnq s ILE 149 N 0.87 2.56 -0.00 2.22 -4.36 -0.52 -3.12 121.20 118.86 3gnq s ILE 149 Ca 0.25 -0.88 0.07 0.00 -0.26 0.00 0.00 60.65 59.82 3gnq s ILE 149 Cb -0.08 -2.68 -0.03 0.00 1.25 0.00 0.00 42.46 40.93 3gnq s ILE 149 CO -0.09 0.00 -0.20 -0.55 0.24 0.00 0.00 174.94 174.34 3gnq s SER 150 N -4.51 3.59 0.00 4.36 0.15 -0.27 -1.77 113.70 115.24 3gnq s SER 150 Ca 0.59 -0.39 0.21 0.00 0.70 0.00 0.00 55.95 57.07 3gnq s SER 150 Cb -0.08 -0.57 0.52 0.00 -1.71 0.00 0.00 66.02 64.18 3gnq s SER 150 CO 0.37 0.30 1.45 -3.20 1.20 0.00 0.00 173.24 173.36 3gnq n ASN 151 N 2.04 3.65 0.00 5.45 5.15 -0.37 -0.15 115.26 131.04 3gnq n ASN 151 Ca -0.16 -1.98 0.00 0.00 -0.60 0.00 0.00 54.58 51.83 3gnq n ASN 151 Cb 0.52 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 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 1.46 0.00 -2.50 5.20 0.00 -1.25 -4.75 120.51 118.68 3gnq n ALA 152 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.42 3gnq n ALA 152 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 3gnq n ALA 152 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gnq s SER 153 N -4.00 4.58 0.22 0.00 1.04 -1.26 -3.04 113.70 111.24 3gnq s SER 153 Ca 0.00 -0.84 -0.09 0.00 0.48 0.00 0.00 55.95 55.50 3gnq s SER 153 Cb 0.00 -0.66 0.24 0.00 0.10 0.00 0.00 66.02 65.69 3gnq s SER 153 CO 0.00 -0.33 1.84 0.00 0.98 0.00 0.00 173.24 175.73 3gnq h THR 155 N 0.84 1.27 -0.88 0.00 2.02 -1.95 -2.32 112.91 111.89 3gnq h THR 155 Ca 0.31 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.61 3gnq h THR 155 Cb 0.10 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 3gnq h THR 155 CO -0.14 0.26 0.58 0.74 0.37 0.00 0.00 175.52 177.33 3gnq h THR 156 N -0.00 1.22 0.00 3.16 2.02 -1.76 0.19 112.91 117.75 3gnq h THR 156 Ca 0.04 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 3gnq h THR 156 Cb 0.40 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3gnq h THR 156 CO 0.01 0.22 -0.00 0.78 0.37 0.00 0.00 175.52 176.89 3gnq h ASN 157 N 1.18 0.00 0.11 4.18 4.21 -0.96 -1.31 115.58 123.00 3gnq h ASN 157 Ca 0.32 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.47 3gnq h ASN 157 Cb -0.13 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.02 3gnq h ASN 157 CO -0.07 0.00 -2.20 0.00 -1.29 0.00 0.00 177.43 173.87 3gnq h LEU 159 N 0.02 0.64 0.14 0.00 5.85 -0.48 -3.15 115.31 118.33 3gnq h LEU 159 Ca -0.48 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 57.80 3gnq h LEU 159 Cb 2.02 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.84 3gnq h LEU 159 CO 0.01 0.96 -0.24 0.00 -0.34 0.00 0.00 178.44 178.83 3gnq h ALA 160 N 0.70 -0.42 0.00 1.25 0.00 -1.47 -0.57 119.26 118.75 3gnq h ALA 160 Ca 0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3gnq h ALA 160 Cb 0.76 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3gnq h ALA 160 CO 0.05 -0.78 -0.34 -1.35 0.00 0.00 0.00 179.25 176.83 3gnq h PRO 161 N -0.45 0.00 -0.01 0.00 0.11 -1.79 -1.74 132.00 128.12 3gnq h PRO 161 Ca 0.02 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 3gnq h PRO 161 Cb 0.47 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3gnq h PRO 161 CO -0.12 0.34 0.00 1.25 -0.21 0.00 0.00 178.00 179.27 3gnq h LEU 162 N 0.00 0.01 0.17 2.35 6.46 -1.38 -3.35 115.31 119.57 3gnq h LEU 162 Ca -0.00 -0.13 -0.30 0.00 -0.12 0.00 0.00 57.88 57.33 3gnq h LEU 162 Cb 0.69 -0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.64 3gnq h LEU 162 CO 0.04 0.14 -1.33 1.62 -0.62 0.00 0.00 178.44 178.29 3gnq h VAL 163 N -0.12 1.42 -0.01 1.05 3.04 -0.71 -3.40 116.25 117.53 3gnq h VAL 163 Ca 0.00 -2.94 0.01 0.00 -1.01 0.00 0.00 66.70 62.76 3gnq h VAL 163 Cb 0.13 2.98 -0.02 0.00 -2.01 0.00 0.00 31.29 32.37 3gnq h VAL 163 CO -0.00 0.87 -0.17 0.50 -1.01 0.00 0.00 177.57 177.76 3gnq h LYS 164 N 0.10 -0.20 0.00 4.17 3.64 -1.46 0.10 116.57 122.92 3gnq h LYS 164 Ca -0.18 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3gnq h LYS 164 Cb 2.04 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.91 3gnq h LYS 164 CO 0.23 -0.13 0.00 -0.35 -2.27 0.00 0.00 179.45 176.93 3gnq n PRO 165 N -3.45 0.11 0.05 1.90 -0.04 -1.26 -0.26 135.00 132.05 3gnq n PRO 165 Ca -0.02 0.58 -0.22 0.00 -0.04 0.00 0.00 63.50 63.80 3gnq n PRO 165 Cb 0.12 -1.85 -0.14 0.00 -0.04 0.00 0.00 33.50 31.59 3gnq n PRO 165 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3gnq h LEU 166 N 0.00 0.50 -0.69 1.53 3.38 -1.46 -2.86 115.31 115.71 3gnq h LEU 166 Ca 0.00 -0.90 -0.05 0.00 0.09 0.00 0.00 57.88 57.01 3gnq h LEU 166 Cb 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3gnq h LEU 166 CO 0.00 1.58 0.22 -1.13 0.09 0.00 0.00 178.44 179.21 3gnq h ASN 167 N -0.21 1.00 -0.36 -0.43 -1.24 0.30 -0.03 115.58 114.60 3gnq h ASN 167 Ca -0.25 -0.20 -0.11 0.00 0.71 0.00 0.00 56.30 56.45 3gnq h ASN 167 Cb 1.82 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 40.60 3gnq h ASN 167 CO 0.13 0.94 -0.15 0.44 -1.29 0.00 0.00 177.43 177.50 3gnq h ASP 168 N 1.00 0.83 0.00 1.15 3.32 -0.72 -1.78 116.42 120.21 3gnq h ASP 168 Ca 0.22 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3gnq h ASP 168 Cb 0.29 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3gnq h ASP 168 CO -0.01 0.98 -0.78 0.29 -1.72 0.00 0.00 179.24 178.00 3gnq n LYS 169 N -4.14 2.58 0.00 3.56 5.02 -1.08 -4.73 118.16 119.37 3gnq n LYS 169 Ca 0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3gnq n LYS 169 Cb 0.40 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 3gnq n LYS 169 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gnq n ILE 170 N -1.42 0.00 0.00 -0.18 5.41 -0.48 -5.07 119.36 117.62 3gnq n ILE 170 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 3gnq n ILE 170 Cb 0.20 -0.67 0.00 0.00 -0.71 0.00 0.00 39.64 38.46 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 2.80 0.25 2.84 7.39 0.00 -0.15 -3.89 105.19 114.43 3gnq n GLY 171 Ca 0.00 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.67 2.32 0.02 0.99 0.20 -1.26 -1.10 118.68 119.18 3gnq s LEU 172 Ca 0.00 -1.30 -0.26 0.00 0.69 0.00 0.00 54.13 53.26 3gnq s LEU 172 Cb 0.00 -0.99 -0.17 0.00 -0.43 0.00 0.00 46.19 44.61 3gnq s LEU 172 CO 0.00 -0.32 1.32 -0.08 -0.29 0.00 0.00 176.35 176.98 3gnq h GLU 173 N 8.03 -0.39 -2.75 1.98 4.57 -1.41 -3.47 114.58 121.15 3gnq h GLU 173 Ca -0.15 0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.00 3gnq h GLU 173 Cb 1.06 0.09 -0.16 0.00 -0.16 0.00 0.00 28.75 29.58 3gnq h GLU 173 CO 0.42 -0.09 0.08 0.95 -1.18 0.00 0.00 179.01 179.20 3gnq s THR 174 N -4.91 0.02 0.02 0.32 -4.23 -1.25 -4.89 115.64 100.73 3gnq s THR 174 Ca -0.15 -0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.19 3gnq s THR 174 Cb 0.03 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.86 3gnq s THR 174 CO 0.57 -0.10 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.68 3gnq s GLY 175 N -2.06 0.26 0.02 3.99 0.00 0.02 -0.69 107.32 108.87 3gnq s GLY 175 Ca -0.04 -0.52 0.08 0.00 0.00 0.00 0.00 44.72 44.24 3gnq s GLY 175 CO -0.03 -0.57 -0.24 1.08 0.00 0.00 0.00 173.10 173.35 3gnq s LEU 176 N -1.19 2.13 -0.03 0.66 1.43 0.88 -2.12 118.68 120.44 3gnq s LEU 176 Ca -0.11 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 3gnq s LEU 176 Cb -0.08 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 3gnq s LEU 176 CO -0.01 0.24 -0.24 -0.32 0.23 0.00 0.00 176.35 176.25 3gnq s MET 177 N -1.00 2.24 -0.17 1.70 -2.45 0.36 -1.51 119.30 118.47 3gnq s MET 177 Ca 0.10 -0.90 0.01 0.00 -1.25 0.00 0.00 55.69 53.65 3gnq s MET 177 Cb -0.09 -2.10 0.02 0.00 1.25 0.00 0.00 34.83 33.90 3gnq s MET 177 CO 0.01 0.53 -0.20 0.99 1.05 0.00 0.00 175.02 177.40 3gnq s THR 178 N -0.54 2.04 -0.27 10.11 2.01 -0.61 -1.86 115.64 126.52 3gnq s THR 178 Ca 0.08 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 61.03 3gnq s THR 178 Cb -0.11 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 3gnq s THR 178 CO 0.00 0.54 0.22 0.28 -0.69 0.00 0.00 174.62 174.97 3gnq s THR 179 N 1.21 5.30 -0.38 -0.82 -1.32 -0.82 -0.77 115.64 118.03 3gnq s THR 179 Ca 0.03 0.25 -0.19 0.00 -1.21 0.00 0.00 61.69 60.57 3gnq s THR 179 Cb -0.13 -3.56 0.01 0.00 -1.51 0.00 0.00 72.50 67.31 3gnq s THR 179 CO -0.11 0.26 0.58 -0.63 -2.21 0.00 0.00 174.62 172.51 3gnq s ILE 180 N 1.63 4.93 -0.04 5.08 1.01 0.73 -1.51 121.20 133.03 3gnq s ILE 180 Ca 0.09 0.32 0.04 0.00 0.00 0.00 0.00 60.65 61.11 3gnq s ILE 180 Cb -0.15 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.25 3gnq s ILE 180 CO 0.09 -0.36 -0.17 -2.28 0.00 0.00 0.00 174.94 172.22 3gnq s HIS 181 N 2.59 1.73 0.67 3.97 2.46 -0.56 -0.42 115.29 125.74 3gnq s HIS 181 Ca 0.21 -0.50 -0.17 0.00 0.47 0.00 0.00 55.06 55.08 3gnq s HIS 181 Cb -0.15 -1.16 -0.01 0.00 -0.13 0.00 0.00 32.58 31.13 3gnq s HIS 181 CO 0.15 -0.17 1.07 0.00 -2.47 0.00 0.00 174.74 173.32 3gnq n ALA 182 N 3.14 0.26 -1.42 1.58 0.00 -1.22 -1.46 120.51 121.40 3gnq n ALA 182 Ca -0.18 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 3gnq n ALA 182 Cb 0.53 -2.18 0.06 0.00 0.00 0.00 0.00 19.45 17.86 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 -1.63 2.63 0.34 0.00 -0.85 -0.28 -4.77 117.35 112.80 3gnq s TYR 183 Ca 0.77 1.55 0.03 0.00 -0.52 0.00 0.00 57.07 58.90 3gnq s TYR 183 Cb -0.37 -3.11 -0.04 0.00 0.38 0.00 0.00 41.96 38.82 3gnq s TYR 183 CO 0.46 -1.70 0.12 0.95 -1.52 0.00 0.00 175.55 173.87 3gnq s THR 184 N -2.59 0.61 -1.13 -3.49 -4.23 -1.26 -4.73 115.64 98.82 3gnq s THR 184 Ca 0.64 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.36 3gnq s THR 184 Cb -0.19 -2.52 0.23 0.00 1.34 0.00 0.00 72.50 71.37 3gnq s THR 184 CO 0.47 0.00 1.67 0.59 -0.54 0.00 0.00 174.62 176.82 3gnq n ASN 185 N -0.99 0.00 0.10 3.99 3.02 -1.26 -2.25 115.26 117.86 3gnq n ASN 185 Ca -0.02 0.34 0.12 0.00 -0.03 0.00 0.00 54.58 54.99 3gnq n ASN 185 Cb 0.65 -0.43 0.45 0.00 -0.61 0.00 0.00 39.78 39.84 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 -1.43 0.65 -3.36 6.41 5.68 -1.26 -4.86 116.55 118.38 3gnq n ASP 186 Ca 0.07 0.59 -0.21 0.00 -0.50 0.00 0.00 54.79 54.74 3gnq n ASP 186 Cb 0.22 -0.76 0.15 0.00 -1.14 0.00 0.00 41.12 39.59 3gnq n ASP 186 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gnq n GLN 187 N -2.15 -1.01 -4.33 0.11 6.02 -0.95 -4.99 117.38 110.08 3gnq n GLN 187 Ca 0.05 -1.47 -0.19 0.00 -0.01 0.00 0.00 57.00 55.37 3gnq n GLN 187 Cb 0.35 -0.99 -0.10 0.00 1.02 0.00 0.00 30.24 30.51 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 -3.06 1.73 -0.15 5.09 -7.23 -1.25 -5.02 120.40 110.51 3gnq s VAL 188 Ca 0.54 -2.07 -0.24 0.00 -1.81 0.00 0.00 61.98 58.40 3gnq s VAL 188 Cb -0.02 -1.93 -0.25 0.00 0.56 0.00 0.00 36.38 34.75 3gnq s VAL 188 CO 0.38 -0.49 0.59 -0.07 -0.31 0.00 0.00 175.10 175.20 3gnq h LEU 189 N 2.87 0.11 -7.97 1.32 3.38 -1.95 0.10 115.31 113.17 3gnq h LEU 189 Ca -0.40 -0.83 -0.27 0.00 0.09 0.00 0.00 57.88 56.48 3gnq h LEU 189 Cb 1.21 -0.03 -0.25 0.00 0.09 0.00 0.00 40.66 41.68 3gnq h LEU 189 CO 0.57 1.28 -0.73 0.28 0.09 0.00 0.00 178.44 179.93 3gnq s THR 190 N -2.32 0.34 -0.43 0.22 -1.32 -1.26 -4.33 115.64 106.54 3gnq s THR 190 Ca -0.21 -0.56 -0.45 0.00 -1.21 0.00 0.00 61.69 59.26 3gnq s THR 190 Cb 0.01 -0.36 -0.19 0.00 -1.51 0.00 0.00 72.50 70.45 3gnq s THR 190 CO 0.69 -0.15 1.68 0.47 -2.21 0.00 0.00 174.62 175.09 3gnq n ASP 191 N 2.29 1.56 -3.68 8.08 9.92 -1.26 -4.72 116.55 128.73 3gnq n ASP 191 Ca -0.18 1.12 -0.10 0.00 -0.53 0.00 0.00 54.79 55.11 3gnq n ASP 191 Cb 0.57 -0.96 -0.03 0.00 -0.64 0.00 0.00 41.12 40.06 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 3.39 0.01 0.06 2.53 0.11 -0.43 -4.99 120.40 121.07 3gnq s VAL 192 Ca 1.04 -0.63 -0.36 0.00 -2.93 0.00 0.00 61.98 59.10 3gnq s VAL 192 Cb -1.36 -1.54 -0.19 0.00 -1.53 0.00 0.00 36.38 31.76 3gnq s VAL 192 CO 0.76 -0.05 0.94 0.00 -3.33 0.00 0.00 175.10 173.42 3gnq n TYR 193 N -0.39 0.41 -3.68 1.54 9.36 -1.26 -4.55 117.16 118.58 3gnq n TYR 193 Ca -0.10 1.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.98 3gnq n TYR 193 Cb 0.62 -2.07 -0.08 0.00 -0.63 0.00 0.00 39.34 37.18 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 -0.25 -0.36 0.29 2.98 2.46 -1.26 -4.90 115.29 114.25 3gnq s HIS 194 Ca 0.83 0.62 0.22 0.00 0.47 0.00 0.00 55.06 57.20 3gnq s HIS 194 Cb -1.15 0.20 1.06 0.00 -0.13 0.00 0.00 32.58 32.55 3gnq s HIS 194 CO 0.56 -0.45 1.91 1.05 -2.47 0.00 0.00 174.74 175.34 3gnq h GLU 195 N 3.73 0.00 -5.48 2.88 4.11 -1.97 -3.39 114.58 114.46 3gnq h GLU 195 Ca -0.29 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.52 3gnq h GLU 195 Cb 1.17 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 3gnq h GLU 195 CO 0.38 0.24 -0.44 0.34 0.07 0.00 0.00 179.01 179.60 3gnq s ASP 196 N -6.35 6.35 0.46 3.06 -1.08 -1.26 -5.02 116.67 112.83 3gnq s ASP 196 Ca -0.01 0.41 0.27 0.00 -0.52 0.00 0.00 52.55 52.70 3gnq s ASP 196 Cb 0.12 -2.11 0.80 0.00 -1.46 0.00 0.00 42.92 40.28 3gnq s ASP 196 CO 0.64 0.25 1.77 -0.07 0.52 0.00 0.00 175.17 178.28 3gnq h LEU 197 N 5.98 0.00 0.12 -1.34 4.07 -2.00 -2.34 115.31 119.80 3gnq h LEU 197 Ca -0.46 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.17 3gnq h LEU 197 Cb 1.18 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 3gnq h LEU 197 CO 0.69 0.00 -1.71 0.03 -1.08 0.00 0.00 178.44 176.37 3gnq h ARG 198 N 0.00 0.24 0.00 1.13 3.08 -1.94 -3.33 114.38 113.57 3gnq h ARG 198 Ca 0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3gnq h ARG 198 Cb 0.76 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.97 3gnq h ARG 198 CO 0.00 1.09 0.00 0.54 -1.07 0.00 0.00 179.97 180.53 3gnq n ARG 199 N -3.43 0.18 0.00 0.04 1.74 -1.15 -2.33 116.66 111.71 3gnq n ARG 199 Ca -0.22 0.32 0.13 0.00 -0.77 0.00 0.00 57.85 57.31 3gnq n ARG 199 Cb 1.05 -1.78 0.72 0.00 -1.02 0.00 0.00 32.46 31.43 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 -1.73 2.39 -2.88 7.54 0.00 -0.89 -3.82 120.51 121.13 3gnq n ALA 200 Ca 0.04 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 52.99 3gnq n ALA 200 Cb 0.28 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.32 3.41 -0.48 0.00 1.81 -0.98 -1.32 118.95 119.06 3gnq s ARG 201 Ca 0.32 -0.27 -0.44 0.00 -1.72 0.00 0.00 55.73 53.61 3gnq s ARG 201 Cb 0.18 -3.11 -0.19 0.00 -0.45 0.00 0.00 34.95 31.39 3gnq s ARG 201 CO 0.36 0.71 1.77 0.45 -0.68 0.00 0.00 175.30 177.91 3gnq n SER 202 N 1.31 0.97 0.23 0.23 2.88 -1.26 -4.51 113.62 113.47 3gnq n SER 202 Ca -0.14 0.93 0.09 0.00 -1.33 0.00 0.00 58.87 58.42 3gnq n SER 202 Cb 0.53 -0.86 0.57 0.00 -0.75 0.00 0.00 64.21 63.71 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 6.52 1.33 0.00 -1.46 0.00 -1.16 -3.16 119.26 121.34 3gnq h ALA 203 Ca -0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3gnq h ALA 203 Cb 1.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3gnq h ALA 203 CO 0.99 0.25 -0.14 0.25 0.00 0.00 0.00 179.25 180.60 3gnq n THR 204 N -3.82 0.37 -0.21 0.00 -2.24 -1.26 -4.01 114.28 103.12 3gnq n THR 204 Ca -0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3gnq n THR 204 Cb 0.30 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.00 0.00 -3.97 4.78 -0.00 -1.20 -4.79 115.22 108.04 3gnq n HIS 205 Ca 0.06 -0.04 -0.08 0.00 -0.00 0.00 0.00 57.72 57.65 3gnq n HIS 205 Cb 0.40 -0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.30 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 -0.08 0.29 -0.17 0.41 0.01 -1.22 -5.08 113.70 107.87 3gnq s SER 206 Ca 0.00 -0.78 -0.29 0.00 1.31 0.00 0.00 55.95 56.18 3gnq s SER 206 Cb 0.00 0.26 -0.00 0.00 0.21 0.00 0.00 66.02 66.49 3gnq s SER 206 CO 0.00 -0.63 1.03 -1.10 0.41 0.00 0.00 173.24 172.95 3gnq s GLN 207 N -3.67 4.34 -0.27 12.44 -0.21 -1.26 -4.33 119.66 126.70 3gnq s GLN 207 Ca 0.04 1.39 0.02 0.00 0.02 0.00 0.00 55.36 56.82 3gnq s GLN 207 Cb 0.05 -3.59 0.07 0.00 1.00 0.00 0.00 33.01 30.54 3gnq s GLN 207 CO -0.09 -0.48 -0.02 0.42 -2.12 0.00 0.00 175.29 173.00 3gnq s ILE 208 N 2.61 1.71 0.26 1.08 1.01 0.32 -4.94 121.20 123.25 3gnq s ILE 208 Ca 0.46 -1.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.28 3gnq s ILE 208 Cb -0.17 -2.04 -0.09 0.00 0.01 0.00 0.00 42.46 40.16 3gnq s ILE 208 CO 0.12 -0.26 1.27 -2.84 0.00 0.00 0.00 174.94 173.24 3gnq s PRO 209 N 1.27 4.42 0.04 2.79 0.02 -1.26 -0.10 135.00 142.18 3gnq s PRO 209 Ca -0.01 2.07 -0.04 0.00 0.02 0.00 0.00 61.00 63.04 3gnq s PRO 209 Cb -0.19 -3.15 -0.02 0.00 0.02 0.00 0.00 34.50 31.17 3gnq s PRO 209 CO -0.09 -0.14 0.05 -0.08 -0.33 0.00 0.00 177.00 176.42 3gnq s THR 210 N -0.58 0.14 0.18 0.99 -1.32 0.31 -4.86 115.64 110.51 3gnq s THR 210 Ca 0.52 -1.19 -0.27 0.00 -1.21 0.00 0.00 61.69 59.54 3gnq s THR 210 Cb -0.37 -0.91 -0.08 0.00 -1.51 0.00 0.00 72.50 69.63 3gnq s THR 210 CO 0.44 -0.66 0.83 -0.54 -2.21 0.00 0.00 174.62 172.48 3gnq s LYS 211 N -2.67 4.66 -0.01 7.08 1.02 -1.26 -1.38 119.74 127.18 3gnq s LYS 211 Ca -0.05 1.27 0.00 0.00 0.02 0.00 0.00 55.97 57.21 3gnq s LYS 211 Cb -0.01 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 34.04 3gnq s LYS 211 CO -0.05 0.54 -0.00 -0.08 -0.92 0.00 0.00 175.35 174.84 3gnq s THR 212 N -1.10 0.08 -2.11 2.17 -1.32 -1.26 -4.81 115.64 107.28 3gnq s THR 212 Ca 0.38 0.02 0.27 0.00 -1.21 0.00 0.00 61.69 61.14 3gnq s THR 212 Cb -0.24 -0.11 0.71 0.00 -1.51 0.00 0.00 72.50 71.34 3gnq s THR 212 CO 0.28 0.06 1.95 0.61 -2.21 0.00 0.00 174.62 175.30 3gnq n GLY 213 N 3.41 -0.70 0.26 6.08 0.00 -1.26 -4.44 105.19 108.53 3gnq n GLY 213 Ca -0.17 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 3.96 1.65 0.09 4.61 0.00 -1.96 -0.48 119.26 127.13 3gnq h ALA 214 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 3gnq h ALA 214 Cb 0.13 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.94 3gnq h ALA 214 CO 0.00 0.10 -1.15 0.00 0.00 0.00 0.00 179.25 178.20 3gnq h ALA 215 N 1.92 0.02 -0.50 0.00 0.00 -1.88 -3.24 119.26 115.58 3gnq h ALA 215 Ca -0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 54.08 3gnq h ALA 215 Cb 0.17 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3gnq h ALA 215 CO 0.01 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 179.88 3gnq h ALA 216 N 0.30 0.68 0.00 0.00 0.00 -1.41 -3.15 119.26 115.68 3gnq h ALA 216 Ca -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gnq h ALA 216 Cb 1.83 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3gnq h ALA 216 CO 0.22 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.99 3gnq n ALA 217 N -2.46 1.71 0.14 0.00 0.00 -0.25 -1.59 120.51 118.07 3gnq n ALA 217 Ca 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.43 3gnq n ALA 217 Cb 0.34 -1.20 0.43 0.00 0.00 0.00 0.00 19.45 19.02 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 1.15 -0.72 0.00 2.07 -1.57 -2.65 116.25 114.54 3gnq h VAL 218 Ca 0.00 -0.68 0.16 0.00 0.82 0.00 0.00 66.70 67.00 3gnq h VAL 218 Cb 0.13 1.20 -0.12 0.00 -1.52 0.00 0.00 31.29 30.97 3gnq h VAL 218 CO 0.00 0.21 -0.01 1.23 0.02 0.00 0.00 177.57 179.02 3gnq h GLY 219 N 0.65 0.77 2.00 2.17 0.00 -1.44 0.25 103.07 107.47 3gnq h GLY 219 Ca 0.04 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3gnq h GLY 219 CO 0.02 -0.26 -0.05 1.41 0.00 0.00 0.00 176.54 177.66 3gnq h LEU 220 N 0.10 0.00 0.00 3.11 3.38 -1.67 -2.20 115.31 118.03 3gnq h LEU 220 Ca 0.38 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.06 3gnq h LEU 220 Cb 0.66 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 3gnq h LEU 220 CO -0.63 0.05 -2.11 1.33 0.09 0.00 0.00 178.44 177.17 3gnq n VAL 221 N -3.32 1.11 -3.85 1.22 0.24 -0.85 -4.76 118.33 108.12 3gnq n VAL 221 Ca -0.01 -0.64 -0.30 0.00 -2.04 0.00 0.00 64.34 61.35 3gnq n VAL 221 Cb 0.21 -0.69 -0.13 0.00 -1.47 0.00 0.00 33.84 31.76 3gnq n VAL 221 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gnq s LEU 222 N -5.35 3.72 0.42 1.34 1.43 0.82 -4.77 118.68 116.30 3gnq s LEU 222 Ca -0.11 -2.92 0.16 0.00 -1.03 0.00 0.00 54.13 50.22 3gnq s LEU 222 Cb 0.05 -1.40 1.06 0.00 0.03 0.00 0.00 46.19 45.92 3gnq s LEU 222 CO 0.62 -0.23 1.90 -0.65 0.23 0.00 0.00 176.35 178.22 3gnq h PRO 223 N 6.51 0.41 0.00 1.29 0.11 -1.63 -0.38 132.00 138.30 3gnq h PRO 223 Ca -0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3gnq h PRO 223 Cb 0.90 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3gnq h PRO 223 CO 0.61 0.27 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 3gnq n GLU 224 N -4.49 0.03 -0.63 1.05 0.00 -1.26 -1.32 120.64 114.02 3gnq n GLU 224 Ca 0.16 0.42 0.01 0.00 0.00 0.00 0.00 57.16 57.75 3gnq n GLU 224 Cb 0.58 -1.58 0.21 0.00 0.00 0.00 0.00 31.44 30.65 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 -1.64 3.75 -4.74 -1.84 4.77 -0.15 -4.97 117.00 112.17 3gnq n LEU 225 Ca 0.01 -3.56 -0.42 0.00 -0.03 0.00 0.00 56.01 52.02 3gnq n LEU 225 Cb 0.08 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 3gnq n LEU 225 CO 0.07 1.09 1.21 0.21 -1.33 0.00 0.00 177.39 178.65 3gnq s ASN 226 N -2.52 6.47 0.00 -1.43 2.47 -0.43 -3.05 114.94 116.45 3gnq s ASN 226 Ca 0.42 2.84 0.00 0.00 0.42 0.00 0.00 52.86 56.54 3gnq s ASN 226 Cb 0.38 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.55 3gnq s ASN 226 CO 0.01 -0.85 0.00 0.61 -3.72 0.00 0.00 177.10 173.15 3gnq n GLY 227 N 2.41 0.44 0.14 1.21 0.00 -1.26 -4.82 105.19 103.30 3gnq n GLY 227 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.78 0.34 -4.40 1.61 5.02 -1.17 -4.92 118.16 112.86 3gnq n LYS 228 Ca 0.00 -0.27 -0.21 0.00 -2.02 0.00 0.00 58.31 55.80 3gnq n LYS 228 Cb 0.06 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.41 3gnq n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gnq s LEU 229 N -2.85 1.63 0.35 -0.35 1.43 -1.26 -0.80 118.68 116.83 3gnq s LEU 229 Ca 0.11 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 3gnq s LEU 229 Cb 0.17 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.75 3gnq s LEU 229 CO 0.77 0.03 0.20 -0.62 0.23 0.00 0.00 176.35 176.96 3gnq s ASP 230 N 0.50 2.01 0.00 2.29 2.15 -0.90 -3.40 116.67 119.32 3gnq s ASP 230 Ca -0.09 -1.69 0.00 0.00 0.43 0.00 0.00 52.55 51.21 3gnq s ASP 230 Cb -0.12 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 3gnq s ASP 230 CO 0.01 -0.98 0.00 0.61 -0.17 0.00 0.00 175.17 174.64 3gnq n GLY 231 N -0.71 -2.04 3.36 2.66 0.00 -1.26 -0.48 105.19 106.72 3gnq n GLY 231 Ca 0.01 -1.35 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 3gnq n GLY 231 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gnq n TYR 232 N 2.78 -1.85 -4.38 1.61 0.18 -0.78 -4.39 117.16 110.34 3gnq n TYR 232 Ca 0.00 -1.99 -0.30 0.00 1.88 0.00 0.00 57.90 57.49 3gnq n TYR 232 Cb 0.00 0.70 -0.11 0.00 -0.38 0.00 0.00 39.34 39.54 3gnq n TYR 232 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3gnq s ALA 233 N -2.36 2.70 -0.27 -3.48 0.00 -0.48 -1.95 121.76 115.91 3gnq s ALA 233 Ca 0.21 -1.30 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 3gnq s ALA 233 Cb -0.03 -0.71 0.05 0.00 0.00 0.00 0.00 23.12 22.43 3gnq s ALA 233 CO 0.15 0.59 -0.06 0.42 0.00 0.00 0.00 175.76 176.87 3gnq s ILE 234 N -1.10 2.65 0.09 0.00 1.01 -0.57 -0.53 121.20 122.76 3gnq s ILE 234 Ca 0.18 -1.36 -0.30 0.00 0.00 0.00 0.00 60.65 59.16 3gnq s ILE 234 Cb -0.11 -2.48 -0.06 0.00 0.01 0.00 0.00 42.46 39.83 3gnq s ILE 234 CO 0.09 0.02 1.19 -0.13 0.00 0.00 0.00 174.94 176.11 3gnq s ARG 235 N 1.22 4.46 0.33 2.79 1.81 0.85 -1.49 118.95 128.93 3gnq s ARG 235 Ca -0.05 1.78 0.04 0.00 -1.72 0.00 0.00 55.73 55.78 3gnq s ARG 235 Cb -0.19 -3.32 -0.07 0.00 -0.45 0.00 0.00 34.95 30.92 3gnq s ARG 235 CO -0.04 -0.19 0.05 0.14 -0.68 0.00 0.00 175.30 174.58 3gnq s VAL 236 N 0.75 1.29 -1.35 3.52 -7.23 -0.53 -0.52 120.40 116.32 3gnq s VAL 236 Ca 0.57 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.64 3gnq s VAL 236 Cb -0.30 -2.81 0.11 0.00 0.56 0.00 0.00 36.38 33.94 3gnq s VAL 236 CO 0.31 -0.01 2.16 -2.65 -0.31 0.00 0.00 175.10 174.60 3gnq n PRO 237 N -0.71 3.74 -4.55 4.82 -0.02 -1.26 -3.29 135.00 133.72 3gnq n PRO 237 Ca -0.03 -3.23 -0.26 0.00 -2.02 0.00 0.00 63.50 57.96 3gnq n PRO 237 Cb 0.67 -2.90 -0.14 0.00 -0.02 0.00 0.00 33.50 31.11 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 0.64 1.82 0.22 3.45 -4.23 -1.26 -5.01 115.64 111.27 3gnq s THR 238 Ca 0.47 -1.39 0.10 0.00 -1.18 0.00 0.00 61.69 59.69 3gnq s THR 238 Cb 0.13 -1.60 -0.08 0.00 1.34 0.00 0.00 72.50 72.30 3gnq s THR 238 CO -0.04 0.14 1.51 -0.29 -0.54 0.00 0.00 174.62 175.40 3gnq h ILE 239 N 4.20 1.50 -2.57 2.99 2.10 -1.88 -0.72 117.51 123.14 3gnq h ILE 239 Ca -0.45 -2.50 -0.03 0.00 1.08 0.00 0.00 64.86 62.96 3gnq h ILE 239 Cb 1.16 2.36 -0.15 0.00 -1.09 0.00 0.00 36.82 39.10 3gnq h ILE 239 CO 0.42 0.71 0.22 0.21 -1.08 0.00 0.00 178.15 178.63 3gnq s ASN 240 N -6.79 -0.59 0.00 2.19 2.47 -1.26 -4.57 114.94 106.38 3gnq s ASN 240 Ca -0.00 0.28 0.00 0.00 0.42 0.00 0.00 52.86 53.56 3gnq s ASN 240 Cb 0.12 0.56 0.00 0.00 -1.45 0.00 0.00 41.25 40.48 3gnq s ASN 240 CO 0.78 -0.81 0.00 0.52 -3.72 0.00 0.00 177.10 173.87 3gnq n VAL 241 N 0.14 -0.57 -3.92 -5.21 0.31 -1.26 -4.85 118.33 102.96 3gnq n VAL 241 Ca -0.17 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.07 3gnq n VAL 241 Cb 0.62 -0.11 -0.08 0.00 -0.91 0.00 0.00 33.84 33.36 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 -1.03 0.22 -0.03 4.52 0.01 0.51 -3.40 113.70 114.50 3gnq s SER 242 Ca 0.00 -0.73 0.04 0.00 1.31 0.00 0.00 55.95 56.57 3gnq s SER 242 Cb 0.00 0.29 -0.01 0.00 0.21 0.00 0.00 66.02 66.52 3gnq s SER 242 CO 0.00 -0.68 -0.15 -0.51 0.41 0.00 0.00 173.24 172.31 3gnq s ILE 243 N -3.77 1.26 -0.22 1.44 2.07 0.44 -0.01 121.20 122.41 3gnq s ILE 243 Ca 0.05 -0.65 -0.14 0.00 -1.41 0.00 0.00 60.65 58.50 3gnq s ILE 243 Cb 0.05 -1.07 -0.04 0.00 0.13 0.00 0.00 42.46 41.53 3gnq s ILE 243 CO -0.10 0.36 0.31 -0.69 -1.91 0.00 0.00 174.94 172.92 3gnq s VAL 244 N -0.11 5.25 -0.26 4.00 1.01 0.19 -0.20 120.40 130.29 3gnq s VAL 244 Ca 0.01 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 3gnq s VAL 244 Cb -0.09 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.67 3gnq s VAL 244 CO 0.01 0.28 -0.05 -0.62 0.00 0.00 0.00 175.10 174.72 3gnq s ASP 245 N 1.07 4.42 -0.15 3.32 -1.08 0.05 -0.87 116.67 123.43 3gnq s ASP 245 Ca 0.15 -0.92 0.01 0.00 -0.52 0.00 0.00 52.55 51.27 3gnq s ASP 245 Cb -0.14 -1.68 0.00 0.00 -1.46 0.00 0.00 42.92 39.64 3gnq s ASP 245 CO 0.07 -0.15 -0.18 -0.22 0.52 0.00 0.00 175.17 175.21 3gnq s LEU 246 N 1.32 2.30 -0.16 -1.34 2.96 0.90 -1.58 118.68 123.09 3gnq s LEU 246 Ca -0.01 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 3gnq s LEU 246 Cb -0.17 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 3gnq s LEU 246 CO -0.04 0.08 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.58 3gnq s SER 247 N 0.83 4.64 0.03 3.68 0.01 -0.57 -0.94 113.70 121.39 3gnq s SER 247 Ca -0.06 -0.18 -0.07 0.00 1.31 0.00 0.00 55.95 56.95 3gnq s SER 247 Cb -0.15 -1.75 -0.00 0.00 0.21 0.00 0.00 66.02 64.32 3gnq s SER 247 CO -0.01 0.16 0.14 0.72 0.41 0.00 0.00 173.24 174.65 3gnq s PHE 248 N 0.44 0.13 -0.19 2.43 -0.12 -0.08 -0.08 117.98 120.50 3gnq s PHE 248 Ca -0.05 -0.38 -0.20 0.00 -0.05 0.00 0.00 56.93 56.26 3gnq s PHE 248 Cb -0.15 -0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.12 3gnq s PHE 248 CO 0.03 -0.38 0.57 0.42 -0.05 0.00 0.00 175.22 175.82 3gnq s ILE 249 N -2.43 5.07 0.05 -4.49 1.01 0.14 -0.51 121.20 120.03 3gnq s ILE 249 Ca -0.06 1.08 -0.21 0.00 0.00 0.00 0.00 60.65 61.46 3gnq s ILE 249 Cb -0.02 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 3gnq s ILE 249 CO -0.04 0.16 0.61 0.00 0.00 0.00 0.00 174.94 175.67 3gnq s ALA 250 N 1.67 3.53 0.48 9.38 0.00 0.35 -1.05 121.76 136.12 3gnq s ALA 250 Ca 0.27 0.08 0.25 0.00 0.00 0.00 0.00 51.96 52.56 3gnq s ALA 250 Cb -0.16 -2.72 1.47 0.00 0.00 0.00 0.00 23.12 21.71 3gnq s ALA 250 CO 0.10 0.29 2.12 0.87 0.00 0.00 0.00 175.76 179.14 3gnq h LYS 251 N 4.97 0.00 -5.00 0.00 1.57 -1.26 -3.45 116.57 113.40 3gnq h LYS 251 Ca -0.47 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.76 3gnq h LYS 251 Cb 1.21 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.39 3gnq h LYS 251 CO 0.66 0.09 -0.51 -0.98 -0.57 0.00 0.00 179.45 178.15 3gnq s ARG 252 N -4.45 1.91 0.42 3.15 1.70 -1.25 -5.07 118.95 115.35 3gnq s ARG 252 Ca -0.04 -2.16 -0.22 0.00 -0.47 0.00 0.00 55.73 52.84 3gnq s ARG 252 Cb 0.14 -0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.01 3gnq s ARG 252 CO 0.60 -0.53 0.99 -0.51 -1.08 0.00 0.00 175.30 174.77 3gnq s ASP 253 N -3.57 6.83 0.39 -2.89 1.11 -1.26 -4.94 116.67 112.35 3gnq s ASP 253 Ca 0.26 1.85 -0.13 0.00 0.18 0.00 0.00 52.55 54.71 3gnq s ASP 253 Cb 0.02 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.50 3gnq s ASP 253 CO 0.17 -0.43 0.75 0.28 1.18 0.00 0.00 175.17 177.11 3gnq s THR 254 N -1.92 0.00 0.22 -1.27 -1.32 -1.26 -5.13 115.64 104.96 3gnq s THR 254 Ca 0.60 -1.10 0.03 0.00 -1.21 0.00 0.00 61.69 60.01 3gnq s THR 254 Cb -0.15 -2.94 -0.05 0.00 -1.51 0.00 0.00 72.50 67.85 3gnq s THR 254 CO 0.20 0.00 -0.01 0.42 -2.21 0.00 0.00 174.62 173.02 3gnq s THR 255 N -2.25 1.00 0.08 5.08 -4.23 -1.26 -4.97 115.64 109.09 3gnq s THR 255 Ca 0.19 -2.03 -0.24 0.00 -1.18 0.00 0.00 61.69 58.42 3gnq s THR 255 Cb -0.04 -2.30 -0.16 0.00 1.34 0.00 0.00 72.50 71.34 3gnq s THR 255 CO 0.14 -0.36 1.69 0.00 -0.54 0.00 0.00 174.62 175.55 3gnq h ALA 256 N 2.51 -0.10 -0.30 3.99 0.00 -1.92 -2.01 119.26 121.43 3gnq h ALA 256 Ca -0.38 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.58 3gnq h ALA 256 Cb 1.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3gnq h ALA 256 CO 0.64 -0.54 0.22 0.00 0.00 0.00 0.00 179.25 179.57 3gnq h ALA 257 N 0.79 2.28 0.02 0.00 0.00 -1.97 0.43 119.26 120.82 3gnq h ALA 257 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3gnq h ALA 257 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3gnq h ALA 257 CO 0.02 -0.37 -0.19 1.49 0.00 0.00 0.00 179.25 180.19 3gnq h GLU 258 N 0.00 0.09 -0.79 0.00 4.81 -1.95 -1.31 114.58 115.44 3gnq h GLU 258 Ca 0.14 -0.13 0.17 0.00 -0.13 0.00 0.00 59.36 59.42 3gnq h GLU 258 Cb 0.57 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 29.89 3gnq h GLU 258 CO -0.00 0.98 0.26 0.28 -0.73 0.00 0.00 179.01 179.80 3gnq h VAL 259 N -0.73 0.53 0.33 0.32 2.07 -0.86 -0.52 116.25 117.40 3gnq h VAL 259 Ca -0.03 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3gnq h VAL 259 Cb 1.06 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3gnq h VAL 259 CO 0.04 0.06 -0.16 0.78 0.02 0.00 0.00 177.57 178.31 3gnq h ASN 260 N 0.35 -0.38 -0.74 0.57 2.35 -0.94 -2.55 115.58 114.24 3gnq h ASN 260 Ca 0.46 -0.14 0.16 0.00 -0.55 0.00 0.00 56.30 56.23 3gnq h ASN 260 Cb 0.79 0.10 -0.13 0.00 0.05 0.00 0.00 38.32 39.13 3gnq h ASN 260 CO -0.50 -0.06 -0.02 0.00 -1.65 0.00 0.00 177.43 175.21 3gnq h ALA 261 N -0.17 0.73 -0.39 -0.83 0.00 -0.92 0.87 119.26 118.55 3gnq h ALA 261 Ca -0.05 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3gnq h ALA 261 Cb 0.49 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3gnq h ALA 261 CO 0.07 -0.42 0.26 0.82 0.00 0.00 0.00 179.25 179.99 3gnq h ILE 262 N 0.09 1.08 0.22 0.00 2.04 -1.00 -1.67 117.51 118.27 3gnq h ILE 262 Ca 0.40 -0.17 -0.30 0.00 1.00 0.00 0.00 64.86 65.78 3gnq h ILE 262 Cb 0.68 0.53 0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3gnq h ILE 262 CO -0.66 0.09 -1.36 0.24 0.00 0.00 0.00 178.15 176.46 3gnq h MET 263 N 0.50 0.47 0.16 2.37 2.86 -0.50 -2.50 114.93 118.30 3gnq h MET 263 Ca 0.15 -0.80 0.01 0.00 -2.06 0.00 0.00 59.70 57.00 3gnq h MET 263 Cb -0.01 0.30 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 3gnq h MET 263 CO -0.03 1.39 -0.30 -0.22 1.06 0.00 0.00 176.91 178.80 3gnq h LYS 264 N 0.01 -0.53 -0.61 1.72 3.64 -0.73 -0.05 116.57 120.02 3gnq h LYS 264 Ca -0.24 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.30 3gnq h LYS 264 Cb 2.04 0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 33.86 3gnq h LYS 264 CO 0.24 -0.35 -0.14 1.49 -2.27 0.00 0.00 179.45 178.41 3gnq h GLU 265 N -0.55 0.01 0.00 1.90 4.81 -1.40 -0.42 114.58 118.93 3gnq h GLU 265 Ca 0.02 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3gnq h GLU 265 Cb 0.56 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3gnq h GLU 265 CO -0.15 0.00 -0.25 0.00 -0.73 0.00 0.00 179.01 177.89 3gnq h ALA 266 N 1.61 1.34 -0.00 2.92 0.00 -0.92 -1.99 119.26 122.22 3gnq h ALA 266 Ca 0.30 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 3gnq h ALA 266 Cb 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3gnq h ALA 266 CO -0.63 0.31 -0.78 0.66 0.00 0.00 0.00 179.25 178.81 3gnq h SER 267 N 0.00 0.05 -0.29 0.00 4.64 0.58 -3.08 113.55 115.45 3gnq h SER 267 Ca -0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3gnq h SER 267 Cb 0.52 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3gnq h SER 267 CO 0.03 0.81 0.00 -0.62 -0.87 0.00 0.00 176.83 176.18 3gnq n GLU 268 N -3.63 1.74 0.00 4.77 -0.58 -0.57 -3.44 120.64 118.92 3gnq n GLU 268 Ca -0.01 -1.14 0.00 0.00 -0.42 0.00 0.00 57.16 55.59 3gnq n GLU 268 Cb 0.75 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 3gnq n GLU 268 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gnq n GLY 269 N 1.04 2.45 0.21 0.62 0.00 -0.80 -4.86 105.19 103.85 3gnq n GLY 269 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.35 4.61 0.00 -1.86 -2.21 119.26 121.10 3gnq h ALA 270 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gnq h ALA 270 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gnq h ALA 270 CO 0.00 -0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.30 3gnq n LEU 271 N -5.02 2.31 -4.52 0.00 4.77 -1.20 -4.97 117.00 108.37 3gnq n LEU 271 Ca 0.06 -1.16 -0.47 0.00 -0.03 0.00 0.00 56.01 54.40 3gnq n LEU 271 Cb 0.23 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3gnq n LEU 271 CO 0.23 0.48 0.43 1.17 -1.33 0.00 0.00 177.39 178.37 3gnq n LYS 272 N 0.51 0.83 0.00 3.23 4.81 -0.83 -0.95 118.16 125.75 3gnq n LYS 272 Ca 0.13 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 3gnq n LYS 272 Cb 0.41 -1.59 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 1.66 1.21 0.16 3.14 0.00 -1.26 -4.66 105.19 105.43 3gnq n GLY 273 Ca 0.14 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 3gnq n GLY 273 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gnq h ILE 274 N 0.00 1.35 -3.35 -0.61 5.03 -1.41 -3.40 117.51 115.12 3gnq h ILE 274 Ca 0.00 -2.27 -0.65 0.00 -0.12 0.00 0.00 64.86 61.82 3gnq h ILE 274 Cb 0.00 2.61 -0.26 0.00 -3.03 0.00 0.00 36.82 36.14 3gnq h ILE 274 CO 0.00 0.68 -0.73 -0.22 -0.68 0.00 0.00 178.15 177.20 3gnq s LEU 275 N -8.11 2.89 0.38 1.44 2.96 -0.35 -1.31 118.68 116.59 3gnq s LEU 275 Ca -0.11 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.54 3gnq s LEU 275 Cb 0.05 -1.70 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 3gnq s LEU 275 CO 0.88 0.07 0.50 -0.83 -1.32 0.00 0.00 176.35 175.65 3gnq s GLY 276 N 0.95 1.79 -0.11 7.98 0.00 0.56 -4.57 107.32 113.92 3gnq s GLY 276 Ca -0.01 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 3gnq s GLY 276 CO 0.00 -1.45 -0.01 -0.47 0.00 0.00 0.00 173.10 171.17 3gnq s TYR 277 N -2.27 0.99 -0.16 1.90 5.04 -1.26 -1.24 117.35 120.35 3gnq s TYR 277 Ca 0.50 -0.48 -0.03 0.00 -2.44 0.00 0.00 57.07 54.62 3gnq s TYR 277 Cb -0.09 -0.98 -0.02 0.00 0.35 0.00 0.00 41.96 41.22 3gnq s TYR 277 CO 0.32 -0.44 -0.07 1.21 -1.34 0.00 0.00 175.55 175.23 3gnq s ASN 278 N 1.87 4.47 0.00 4.32 2.47 -0.23 -4.95 114.94 122.89 3gnq s ASN 278 Ca 0.04 -0.23 0.04 0.00 0.42 0.00 0.00 52.86 53.12 3gnq s ASN 278 Cb -0.13 -1.72 0.03 0.00 -1.45 0.00 0.00 41.25 37.98 3gnq s ASN 278 CO -0.07 0.14 0.64 -0.62 -3.72 0.00 0.00 177.10 173.47 3gnq n GLU 279 N 3.72 -0.34 -3.11 0.43 1.02 -1.26 -1.29 120.64 119.81 3gnq n GLU 279 Ca -0.18 -0.76 -0.29 0.00 -0.02 0.00 0.00 57.16 55.91 3gnq n GLU 279 Cb 0.52 -1.07 -0.03 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 -0.35 3.49 -1.35 0.62 0.00 -1.26 -4.84 121.76 118.08 3gnq s ALA 280 Ca 0.05 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.46 3gnq s ALA 280 Cb 0.03 -2.49 0.09 0.00 0.00 0.00 0.00 23.12 20.76 3gnq s ALA 280 CO 0.05 0.11 1.93 -0.35 0.00 0.00 0.00 175.76 177.50 3gnq n PRO 281 N -1.14 3.16 -3.90 0.00 -0.05 -1.26 -4.94 135.00 126.87 3gnq n PRO 281 Ca 0.00 -3.12 -0.21 0.00 -0.05 0.00 0.00 63.50 60.11 3gnq n PRO 281 Cb 0.54 -3.25 -0.04 0.00 -0.05 0.00 0.00 33.50 30.71 3gnq n PRO 281 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 3gnq s LEU 282 N 2.22 3.66 0.41 1.53 1.43 -1.26 -5.14 118.68 121.53 3gnq s LEU 282 Ca 0.47 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.20 3gnq s LEU 282 Cb 0.08 -2.26 -0.07 0.00 0.03 0.00 0.00 46.19 43.98 3gnq s LEU 282 CO -0.01 -0.26 0.02 0.68 0.23 0.00 0.00 176.35 177.00 3gnq s VAL 283 N -2.25 1.73 0.32 -1.59 -7.23 -1.26 -5.03 120.40 105.08 3gnq s VAL 283 Ca 0.39 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.63 3gnq s VAL 283 Cb -0.06 -2.84 0.31 0.00 0.56 0.00 0.00 36.38 34.35 3gnq s VAL 283 CO 0.26 0.00 1.80 0.77 -0.31 0.00 0.00 175.10 177.62 3gnq h SER 284 N 1.77 0.74 0.77 4.85 4.64 -1.98 -0.66 113.55 123.68 3gnq h SER 284 Ca -0.43 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3gnq h SER 284 Cb 1.25 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3gnq h SER 284 CO 0.78 0.29 0.00 -0.29 -0.87 0.00 0.00 176.83 176.74 3gnq h ILE 285 N 0.74 0.00 0.00 0.95 2.10 -1.96 -0.95 117.51 118.39 3gnq h ILE 285 Ca 0.55 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 66.13 3gnq h ILE 285 Cb 0.89 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.91 3gnq h ILE 285 CO -0.33 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 177.18 3gnq h ASP 286 N 0.00 0.00 -0.41 2.19 3.45 -1.52 -2.57 116.42 117.57 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 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 3gnq h ASP 286 CO 0.00 0.00 0.00 0.49 -1.57 0.00 0.00 179.24 178.16 3gnq n PHE 287 N -2.80 0.53 -2.16 4.55 3.72 -0.36 -4.86 117.46 116.08 3gnq n PHE 287 Ca 0.00 -0.30 -0.42 0.00 -0.05 0.00 0.00 57.45 56.67 3gnq n PHE 287 Cb 0.21 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 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 -1.29 6.80 -0.20 4.37 2.47 -0.97 -2.17 114.94 123.94 3gnq s ASN 288 Ca 0.36 2.18 0.00 0.00 0.42 0.00 0.00 52.86 55.82 3gnq s ASN 288 Cb 0.21 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.45 3gnq s ASN 288 CO 0.28 -0.76 0.00 1.57 -3.72 0.00 0.00 177.10 174.47 3gnq n HIS 289 N 5.56 0.00 -2.92 0.43 -0.00 -1.26 -5.03 115.22 112.00 3gnq n HIS 289 Ca 0.14 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.90 3gnq n HIS 289 Cb 0.43 -0.68 -0.05 0.00 -0.12 0.00 0.00 29.99 29.57 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 -2.58 6.80 0.00 0.26 3.84 -0.92 -4.96 114.94 117.37 3gnq s ASN 290 Ca 0.00 1.00 0.23 0.00 0.21 0.00 0.00 52.86 54.30 3gnq s ASN 290 Cb 0.00 -2.42 1.18 0.00 -0.55 0.00 0.00 41.25 39.46 3gnq s ASN 290 CO 0.00 -0.49 1.77 -0.81 -2.79 0.00 0.00 177.10 174.78 3gnq n PRO 291 N 5.91 0.33 -1.61 0.43 -0.04 -1.26 -4.06 135.00 134.69 3gnq n PRO 291 Ca 0.05 0.07 -0.37 0.00 -0.04 0.00 0.00 63.50 63.20 3gnq n PRO 291 Cb 0.48 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.50 3gnq n PRO 291 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gnq n ALA 292 N -1.29 0.41 0.12 0.55 0.00 -1.26 -4.32 120.51 114.73 3gnq n ALA 292 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3gnq n ALA 292 Cb 0.19 -2.18 -0.01 0.00 0.00 0.00 0.00 19.45 17.45 3gnq n ALA 292 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3gnq h SER 293 N 0.35 0.00 -2.38 0.00 0.02 -1.46 -3.37 113.55 106.71 3gnq h SER 293 Ca -0.49 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.49 3gnq h SER 293 Cb 1.35 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.68 3gnq h SER 293 CO 0.51 0.61 -0.13 -0.55 -1.14 0.00 0.00 176.83 176.13 3gnq s SER 294 N -6.47 -0.96 -0.29 3.07 0.15 -1.13 -3.74 113.70 104.33 3gnq s SER 294 Ca 0.03 1.46 0.03 0.00 0.70 0.00 0.00 55.95 58.17 3gnq s SER 294 Cb 0.08 1.88 0.07 0.00 -1.71 0.00 0.00 66.02 66.35 3gnq s SER 294 CO 0.76 -0.23 -0.04 -0.89 1.20 0.00 0.00 173.24 174.05 3gnq s THR 295 N 2.47 2.29 0.40 6.45 2.01 -0.44 -0.33 115.64 128.49 3gnq s THR 295 Ca -0.07 -1.87 -0.25 0.00 0.31 0.00 0.00 61.69 59.81 3gnq s THR 295 Cb -0.10 -2.47 -0.08 0.00 0.01 0.00 0.00 72.50 69.86 3gnq s THR 295 CO -0.18 -0.24 1.16 0.12 -0.69 0.00 0.00 174.62 174.79 3gnq s PHE 296 N 1.04 3.06 -0.41 4.92 5.36 -0.37 -0.59 117.98 130.99 3gnq s PHE 296 Ca -0.02 1.56 0.01 0.00 -0.96 0.00 0.00 56.93 57.52 3gnq s PHE 296 Cb -0.20 -3.38 0.11 0.00 -0.34 0.00 0.00 43.02 39.21 3gnq s PHE 296 CO -0.06 -1.31 0.16 0.34 -1.46 0.00 0.00 175.22 172.90 3gnq s ASP 297 N -1.17 4.88 0.58 6.13 2.15 -0.56 -1.07 116.67 127.62 3gnq s ASP 297 Ca 0.58 -2.32 0.28 0.00 0.43 0.00 0.00 52.55 51.52 3gnq s ASP 297 Cb -0.30 -1.71 1.75 0.00 -0.30 0.00 0.00 42.92 42.36 3gnq s ASP 297 CO 0.38 -0.40 2.23 0.00 -0.17 0.00 0.00 175.17 177.20 3gnq h ALA 298 N 7.51 1.61 0.00 3.66 0.00 -1.50 -0.95 119.26 129.58 3gnq h ALA 298 Ca -0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3gnq h ALA 298 Cb 1.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3gnq h ALA 298 CO 0.62 -0.04 -0.11 1.79 0.00 0.00 0.00 179.25 181.51 3gnq h THR 299 N 0.00 0.48 -0.53 0.00 1.35 -1.89 -3.17 112.91 109.15 3gnq h THR 299 Ca 0.01 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3gnq h THR 299 Cb 0.06 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3gnq h THR 299 CO -0.00 0.11 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 3gnq n LEU 300 N -3.53 3.58 -4.73 3.87 4.77 -0.36 -4.98 117.00 115.63 3gnq n LEU 300 Ca -0.02 -1.66 -0.41 0.00 -0.03 0.00 0.00 56.01 53.89 3gnq n LEU 300 Cb 0.25 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3gnq n LEU 300 CO 0.29 0.83 0.73 -0.89 -1.33 0.00 0.00 177.39 177.03 3gnq s THR 301 N -1.30 4.29 -0.05 -5.08 2.01 -1.20 -4.73 115.64 109.58 3gnq s THR 301 Ca 0.43 1.85 0.02 0.00 0.31 0.00 0.00 61.69 64.29 3gnq s THR 301 Cb 0.24 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.58 3gnq s THR 301 CO 0.32 0.26 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.90 3gnq s LYS 302 N 0.14 1.03 -0.11 4.92 3.01 -0.44 -4.95 119.74 123.33 3gnq s LYS 302 Ca 0.50 -0.20 0.01 0.00 -1.01 0.00 0.00 55.97 55.27 3gnq s LYS 302 Cb -0.26 -0.96 0.02 0.00 -1.01 0.00 0.00 37.83 35.62 3gnq s LYS 302 CO 0.31 -0.03 -0.14 0.14 0.51 0.00 0.00 175.35 176.14 3gnq s VAL 303 N 0.75 1.46 -0.28 3.17 -7.23 -1.26 -0.09 120.40 116.93 3gnq s VAL 303 Ca -0.12 -0.61 -0.00 0.00 -1.81 0.00 0.00 61.98 59.44 3gnq s VAL 303 Cb -0.14 -1.35 0.08 0.00 0.56 0.00 0.00 36.38 35.54 3gnq s VAL 303 CO 0.01 0.43 0.05 -0.55 -0.31 0.00 0.00 175.10 174.73 3gnq s SER 304 N 1.10 3.89 2.00 4.85 0.15 -0.14 -4.88 113.70 120.66 3gnq s SER 304 Ca -0.04 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.14 3gnq s SER 304 Cb -0.14 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 3gnq s SER 304 CO -0.03 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.66 3gnq n GLY 305 N 4.77 3.29 0.88 9.45 0.00 -1.26 -1.84 105.19 120.49 3gnq n GLY 305 Ca -0.05 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 8.93 2.06 -3.30 1.61 5.12 -1.26 -4.61 116.66 125.21 3gnq n ARG 306 Ca 0.00 -1.82 -0.38 0.00 -1.93 0.00 0.00 57.85 53.72 3gnq n ARG 306 Cb 0.00 -1.42 -0.06 0.00 -1.16 0.00 0.00 32.46 29.82 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 -1.81 4.28 -0.05 0.55 2.96 -0.77 -0.49 118.68 123.34 3gnq s LEU 307 Ca 0.26 0.84 0.04 0.00 -0.22 0.00 0.00 54.13 55.04 3gnq s LEU 307 Cb 0.18 -2.71 0.00 0.00 0.50 0.00 0.00 46.19 44.16 3gnq s LEU 307 CO 0.27 -0.00 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.44 3gnq s VAL 308 N 0.62 1.43 -0.19 1.68 1.01 0.33 -0.97 120.40 124.32 3gnq s VAL 308 Ca 0.27 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3gnq s VAL 308 Cb -0.15 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.00 3gnq s VAL 308 CO 0.11 0.42 -0.17 -0.75 0.00 0.00 0.00 175.10 174.70 3gnq s LYS 309 N 0.18 3.03 0.12 2.72 2.20 0.88 -0.90 119.74 127.95 3gnq s LYS 309 Ca -0.07 -0.81 0.07 0.00 -0.36 0.00 0.00 55.97 54.80 3gnq s LYS 309 Cb -0.13 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 3gnq s LYS 309 CO 0.03 -0.22 -0.18 0.14 -0.36 0.00 0.00 175.35 174.76 3gnq s VAL 310 N 1.32 1.55 0.02 4.02 -7.23 -0.11 -1.33 120.40 118.63 3gnq s VAL 310 Ca 0.05 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 3gnq s VAL 310 Cb -0.13 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 3gnq s VAL 310 CO -0.11 -0.23 -0.03 -0.44 -0.31 0.00 0.00 175.10 173.98 3gnq s SER 311 N -2.18 0.26 -0.01 4.85 0.01 -1.26 -0.07 113.70 115.30 3gnq s SER 311 Ca 0.08 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 56.99 3gnq s SER 311 Cb -0.08 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 3gnq s SER 311 CO 0.04 -0.21 -0.10 -0.55 0.41 0.00 0.00 173.24 172.84 3gnq s SER 312 N -1.08 1.17 0.09 2.44 0.15 -0.05 -1.49 113.70 114.93 3gnq s SER 312 Ca -0.11 -0.18 -0.16 0.00 0.70 0.00 0.00 55.95 56.20 3gnq s SER 312 Cb -0.07 -0.15 -0.07 0.00 -1.71 0.00 0.00 66.02 64.02 3gnq s SER 312 CO -0.01 0.12 0.52 0.26 1.20 0.00 0.00 173.24 175.33 3gnq s TRP 313 N -0.18 3.69 -0.07 3.44 0.52 0.25 -0.64 118.94 125.95 3gnq s TRP 313 Ca 0.03 1.11 -0.04 0.00 0.02 0.00 0.00 56.10 57.22 3gnq s TRP 313 Cb -0.04 -2.39 0.03 0.00 -1.15 0.00 0.00 33.47 29.92 3gnq s TRP 313 CO -0.00 0.53 0.16 1.52 0.02 0.00 0.00 176.95 179.17 3gnq s TYR 314 N -1.28 -0.19 -0.88 -1.98 -0.85 0.98 -1.33 117.35 111.84 3gnq s TYR 314 Ca 0.32 0.50 -0.25 0.00 -0.52 0.00 0.00 57.07 57.12 3gnq s TYR 314 Cb -0.17 -0.01 0.01 0.00 0.38 0.00 0.00 41.96 42.17 3gnq s TYR 314 CO 0.18 -0.14 1.61 0.34 -1.52 0.00 0.00 175.55 176.02 3gnq s ASP 315 N 0.75 5.89 0.65 -0.18 3.68 -1.26 -0.37 116.67 125.84 3gnq s ASP 315 Ca -0.06 -0.79 0.20 0.00 2.13 0.00 0.00 52.55 54.04 3gnq s ASP 315 Cb -0.07 -2.56 1.07 0.00 -1.45 0.00 0.00 42.92 39.91 3gnq s ASP 315 CO -0.04 -2.04 1.60 -0.55 0.13 0.00 0.00 175.17 174.27 3gnq h ASN 316 N 10.98 0.00 0.02 -0.34 -1.07 -1.90 -1.54 115.58 121.73 3gnq h ASN 316 Ca 0.01 0.00 -0.40 0.00 0.07 0.00 0.00 56.30 55.99 3gnq h ASN 316 Cb 1.04 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 37.23 3gnq h ASN 316 CO 1.31 0.00 -2.37 -0.62 0.07 0.00 0.00 177.43 175.82 3gnq n GLU 317 N -2.86 0.65 -0.04 4.14 1.02 -1.26 -4.56 120.64 117.73 3gnq n GLU 317 Ca 0.01 0.21 -0.17 0.00 -0.02 0.00 0.00 57.16 57.18 3gnq n GLU 317 Cb 0.66 -1.55 -0.13 0.00 -0.02 0.00 0.00 31.44 30.40 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 -0.23 0.19 0.06 -0.32 2.91 -1.62 -2.81 115.95 114.12 3gnq h TRP 318 Ca -0.57 -0.14 0.01 0.00 1.13 0.00 0.00 58.89 59.32 3gnq h TRP 318 Cb 1.84 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 30.46 3gnq h TRP 318 CO 0.02 1.21 -0.14 0.78 -1.03 0.00 0.00 178.44 179.28 3gnq h GLY 319 N -0.72 -0.23 0.50 2.65 0.00 -1.59 -2.02 103.07 101.66 3gnq h GLY 319 Ca -0.12 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.44 3gnq h GLY 319 CO 0.02 -0.14 0.17 -2.75 0.00 0.00 0.00 176.54 173.83 3gnq h PHE 320 N -0.27 0.30 -0.35 5.60 3.57 -1.75 -1.36 116.94 122.67 3gnq h PHE 320 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3gnq h PHE 320 Cb 0.30 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3gnq h PHE 320 CO -0.17 0.09 0.19 0.77 -2.23 0.00 0.00 178.31 176.96 3gnq h SER 321 N 0.34 0.42 1.21 0.41 0.02 -1.22 -0.92 113.55 113.80 3gnq h SER 321 Ca 0.24 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 3gnq h SER 321 Cb 0.27 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3gnq h SER 321 CO -0.26 0.34 -0.37 0.78 -1.14 0.00 0.00 176.83 176.19 3gnq h ASN 322 N 0.48 0.00 0.07 3.07 2.35 -0.61 -3.22 115.58 117.72 3gnq h ASN 322 Ca 0.13 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.63 3gnq h ASN 322 Cb 0.02 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.40 3gnq h ASN 322 CO -0.02 0.37 -0.97 0.03 -1.65 0.00 0.00 177.43 175.19 3gnq h ARG 323 N 0.00 0.64 -0.98 0.81 2.47 -0.30 -2.87 114.38 114.14 3gnq h ARG 323 Ca -0.00 -0.65 0.18 0.00 -1.26 0.00 0.00 59.98 58.24 3gnq h ARG 323 Cb 1.07 0.18 -0.09 0.00 -1.65 0.00 0.00 29.97 29.47 3gnq h ARG 323 CO 0.05 1.25 0.61 0.52 0.56 0.00 0.00 179.97 182.96 3gnq h MET 324 N 0.38 0.72 -0.13 0.04 2.86 -1.22 0.61 114.93 118.18 3gnq h MET 324 Ca -0.10 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 3gnq h MET 324 Cb 1.61 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 33.11 3gnq h MET 324 CO 0.19 0.47 -0.21 -0.07 1.06 0.00 0.00 176.91 178.35 3gnq h LEU 325 N 0.74 0.42 -0.49 1.22 3.38 -1.60 -1.06 115.31 117.92 3gnq h LEU 325 Ca 0.54 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3gnq h LEU 325 Cb 0.88 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 3gnq h LEU 325 CO -0.32 0.87 0.20 0.44 0.09 0.00 0.00 178.44 179.72 3gnq h ASP 326 N -0.02 0.25 -0.32 -0.43 3.32 -1.00 -2.75 116.42 115.47 3gnq h ASP 326 Ca 0.01 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3gnq h ASP 326 Cb 0.78 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3gnq h ASP 326 CO 0.05 0.17 0.15 0.74 -1.72 0.00 0.00 179.24 178.63 3gnq h THR 327 N 0.40 1.17 -0.82 0.35 2.02 0.24 -2.53 112.91 113.73 3gnq h THR 327 Ca 0.23 -0.48 0.05 0.00 0.77 0.00 0.00 66.41 66.97 3gnq h THR 327 Cb 0.20 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 3gnq h THR 327 CO -0.20 0.17 0.54 0.00 0.37 0.00 0.00 175.52 176.40 3gnq h ALA 328 N 1.00 1.54 -0.14 6.16 0.00 -0.98 0.19 119.26 127.02 3gnq h ALA 328 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gnq h ALA 328 Cb 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3gnq h ALA 328 CO -0.01 0.36 0.00 -0.89 0.00 0.00 0.00 179.25 178.71 3gnq n ILE 329 N -4.46 0.00 -0.09 0.00 2.08 -1.06 -2.74 119.36 113.09 3gnq n ILE 329 Ca 0.11 1.48 0.25 0.00 0.56 0.00 0.00 62.75 65.15 3gnq n ILE 329 Cb 0.15 -2.43 0.72 0.00 -0.75 0.00 0.00 39.64 37.33 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 -1.91 2.62 0.54 -1.39 0.00 -1.01 0.74 119.26 118.84 3gnq h ALA 330 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3gnq h ALA 330 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gnq h ALA 330 CO 0.00 -0.95 -0.26 1.25 0.00 0.00 0.00 179.25 179.29 3gnq h LEU 331 N 0.00 -0.61 -0.38 0.00 5.85 -0.68 -3.31 115.31 116.19 3gnq h LEU 331 Ca 0.35 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 3gnq h LEU 331 Cb 1.49 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.67 3gnq h LEU 331 CO -0.00 -0.40 0.08 0.00 -0.34 0.00 0.00 178.44 177.78 3gnq h ALA 332 N -0.33 0.50 -0.55 1.25 0.00 -0.67 -3.28 119.26 116.17 3gnq h ALA 332 Ca -0.07 -0.19 -0.35 0.00 0.00 0.00 0.00 54.91 54.30 3gnq h ALA 332 Cb 0.58 -0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.06 3gnq h ALA 332 CO 0.12 0.18 0.45 0.09 0.00 0.00 0.00 179.25 180.09 3gnq n ASN 333 N -4.58 5.65 -4.20 0.00 3.02 -0.87 -4.78 115.26 109.50 3gnq n ASN 333 Ca -0.01 -3.09 -0.39 0.00 -0.03 0.00 0.00 54.58 51.07 3gnq n ASN 333 Cb 0.21 -0.94 -0.10 0.00 -0.61 0.00 0.00 39.78 38.34 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 -2.03 3.24 0.00 5.41 0.00 -1.24 -4.98 121.76 122.17 3gnq s ALA 334 Ca 0.35 -2.35 0.00 0.00 0.00 0.00 0.00 51.96 49.96 3gnq s ALA 334 Cb 0.28 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.82 3gnq s ALA 334 CO 0.02 -1.74 0.00 1.63 0.00 0.00 0.00 175.76 175.67