#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 0.49 -0.28 12.58 1.09 -0.95 -4.94 121.20 129.18 3gnq s ILE 2 Ca 0.00 -0.68 -0.08 0.00 -1.10 0.00 0.00 60.65 58.80 3gnq s ILE 2 Cb 0.00 -0.49 -0.01 0.00 -1.06 0.00 0.00 42.46 40.90 3gnq s ILE 2 CO 0.00 -0.14 0.09 -0.13 -0.10 0.00 0.00 174.94 174.66 3gnq s ARG 3 N -0.89 3.32 0.03 2.79 0.52 -1.26 -0.82 118.95 122.64 3gnq s ARG 3 Ca -0.04 -0.71 0.08 0.00 -0.52 0.00 0.00 55.73 54.54 3gnq s ARG 3 Cb -0.06 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 3gnq s ARG 3 CO 0.00 -0.35 -0.23 0.08 0.02 0.00 0.00 175.30 174.81 3gnq s VAL 4 N 1.56 2.35 0.18 3.52 1.01 -0.30 -1.01 120.40 127.70 3gnq s VAL 4 Ca 0.04 -1.25 0.08 0.00 0.00 0.00 0.00 61.98 60.86 3gnq s VAL 4 Cb -0.16 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3gnq s VAL 4 CO 0.03 0.41 -0.17 0.00 0.00 0.00 0.00 175.10 175.38 3gnq s ALA 5 N -0.80 2.01 -0.24 5.51 0.00 -0.94 -0.29 121.76 127.02 3gnq s ALA 5 Ca 0.12 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.54 3gnq s ALA 5 Cb -0.10 -0.14 0.05 0.00 0.00 0.00 0.00 23.12 22.93 3gnq s ALA 5 CO 0.02 0.16 -0.09 0.42 0.00 0.00 0.00 175.76 176.27 3gnq s ILE 6 N -2.44 1.85 -0.17 0.00 1.01 -0.40 -1.47 121.20 119.58 3gnq s ILE 6 Ca 0.19 -1.34 -0.19 0.00 0.00 0.00 0.00 60.65 59.31 3gnq s ILE 6 Cb -0.04 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 3gnq s ILE 6 CO 0.07 0.01 0.53 0.21 0.00 0.00 0.00 174.94 175.76 3gnq s ASN 7 N 1.27 6.63 0.00 3.58 2.47 -0.71 -2.44 114.94 125.73 3gnq s ASN 7 Ca -0.06 0.76 0.00 0.00 0.42 0.00 0.00 52.86 53.98 3gnq s ASN 7 Cb -0.19 -2.30 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 3gnq s ASN 7 CO -0.06 -0.14 0.00 0.61 -3.72 0.00 0.00 177.10 173.79 3gnq n GLY 8 N 3.67 -2.08 2.75 1.21 0.00 -1.02 -1.06 105.19 108.67 3gnq n GLY 8 Ca -0.05 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 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 0.19 3.24 -1.75 1.61 4.19 -1.26 -4.19 117.16 119.19 3gnq n TYR 9 Ca 0.00 -2.99 0.00 0.00 3.31 0.00 0.00 57.90 58.22 3gnq n TYR 9 Cb 0.00 -0.87 0.00 0.00 0.49 0.00 0.00 39.34 38.96 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 -0.24 2.43 0.00 2.98 0.00 -1.26 -4.63 105.19 104.46 3gnq n GLY 10 Ca 0.43 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3gnq n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gnq n ARG 11 N 0.00 0.00 -0.20 1.61 1.74 -1.26 -0.07 116.66 118.48 3gnq n ARG 11 Ca 0.00 0.79 0.11 0.00 -0.77 0.00 0.00 57.85 57.98 3gnq n ARG 11 Cb 0.00 -1.48 0.42 0.00 -1.02 0.00 0.00 32.46 30.38 3gnq n ARG 11 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3gnq h ILE 12 N 0.00 0.88 0.44 0.55 1.08 -1.92 0.24 117.51 118.78 3gnq h ILE 12 Ca 0.00 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 3gnq h ILE 12 Cb 0.00 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 33.96 3gnq h ILE 12 CO 0.00 0.11 -0.29 1.23 -0.69 0.00 0.00 178.15 178.51 3gnq h GLY 13 N 0.61 -0.75 1.53 5.37 0.00 -1.40 -0.84 103.07 107.59 3gnq h GLY 13 Ca 0.37 0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.93 3gnq h GLY 13 CO -0.14 -0.28 -0.24 3.21 0.00 0.00 0.00 176.54 179.09 3gnq h ARG 14 N -0.71 0.54 -0.08 4.80 3.08 0.95 -2.46 114.38 120.50 3gnq h ARG 14 Ca -0.05 -0.21 -0.15 0.00 0.07 0.00 0.00 59.98 59.64 3gnq h ARG 14 Cb 0.59 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3gnq h ARG 14 CO 0.03 0.74 -0.62 -0.91 -1.07 0.00 0.00 179.97 178.14 3gnq h ASN 15 N 0.48 0.34 -0.43 7.04 2.35 -0.53 0.14 115.58 124.98 3gnq h ASN 15 Ca 0.07 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 3gnq h ASN 15 Cb 0.67 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3gnq h ASN 15 CO 0.05 0.87 0.10 0.74 -1.65 0.00 0.00 177.43 177.55 3gnq h THR 16 N 0.22 1.23 0.30 2.81 2.02 -0.98 0.37 112.91 118.88 3gnq h THR 16 Ca -0.01 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 3gnq h THR 16 Cb 1.14 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3gnq h THR 16 CO 0.10 0.28 -0.15 0.25 0.37 0.00 0.00 175.52 176.37 3gnq h LEU 17 N 0.55 -0.35 -1.20 2.58 6.46 -1.24 -1.65 115.31 120.46 3gnq h LEU 17 Ca 0.13 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.93 3gnq h LEU 17 Cb 0.32 0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 3gnq h LEU 17 CO 0.00 -0.25 0.55 0.03 -0.62 0.00 0.00 178.44 178.15 3gnq h ARG 18 N -0.41 1.03 -0.76 1.25 3.08 -0.50 -1.81 114.38 116.26 3gnq h ARG 18 Ca -0.04 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3gnq h ARG 18 Cb 0.32 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3gnq h ARG 18 CO 0.06 0.68 0.34 0.00 -1.07 0.00 0.00 179.97 179.98 3gnq h ALA 19 N 1.50 0.98 0.37 0.04 0.00 -0.08 -0.53 119.26 121.55 3gnq h ALA 19 Ca 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3gnq h ALA 19 Cb -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3gnq h ALA 19 CO -0.09 0.57 -0.23 0.35 0.00 0.00 0.00 179.25 179.86 3gnq h PHE 20 N 1.08 -0.59 -0.76 0.00 3.57 -0.45 -2.35 116.94 117.45 3gnq h PHE 20 Ca 0.26 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 3gnq h PHE 20 Cb 0.16 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3gnq h PHE 20 CO 0.01 -0.35 0.27 1.88 -2.23 0.00 0.00 178.31 177.89 3gnq h TYR 21 N -0.57 1.17 0.00 0.41 -1.99 -1.35 -2.35 116.97 112.29 3gnq h TYR 21 Ca -0.04 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.58 3gnq h TYR 21 Cb 0.47 -0.35 -0.00 0.00 2.00 0.00 0.00 36.73 38.85 3gnq h TYR 21 CO -0.09 0.91 -0.06 0.93 -0.00 0.00 0.00 178.16 179.84 3gnq h GLU 22 N 1.11 0.00 -0.85 4.88 5.08 -0.96 -1.60 114.58 122.25 3gnq h GLU 22 Ca 0.25 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 3gnq h GLU 22 Cb 0.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 3gnq h GLU 22 CO -0.02 0.06 0.10 -1.71 -1.00 0.00 0.00 179.01 176.44 3gnq n ASN 23 N -3.19 3.40 -1.64 1.42 5.15 -0.90 -4.90 115.26 114.59 3gnq n ASN 23 Ca 0.00 -2.57 -0.18 0.00 -0.60 0.00 0.00 54.58 51.23 3gnq n ASN 23 Cb 0.34 -0.62 -0.06 0.00 -0.53 0.00 0.00 39.78 38.92 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 0.13 1.08 3.82 8.20 0.00 -0.60 -2.46 105.19 115.37 3gnq n GLY 24 Ca 0.19 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3gnq n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gnq n LYS 25 N -2.57 -4.64 0.15 1.61 5.02 -0.89 -4.88 118.16 111.96 3gnq n LYS 25 Ca -0.20 0.56 0.04 0.00 -2.02 0.00 0.00 58.31 56.69 3gnq n LYS 25 Cb 0.63 -5.11 0.44 0.00 -0.02 0.00 0.00 35.03 30.97 3gnq n LYS 25 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3gnq h LYS 26 N -1.90 0.19 -7.05 1.97 1.57 -1.73 -3.44 116.57 106.18 3gnq h LYS 26 Ca -0.61 -0.03 -0.51 0.00 -1.87 0.00 0.00 60.65 57.63 3gnq h LYS 26 Cb 1.37 -0.03 0.07 0.00 0.08 0.00 0.00 32.23 33.72 3gnq h LYS 26 CO 0.61 0.29 0.46 -1.01 -0.57 0.00 0.00 179.45 179.23 3gnq s HIS 27 N -4.80 2.74 -1.36 -1.35 3.76 -1.26 -4.92 115.29 108.09 3gnq s HIS 27 Ca -0.05 1.54 -0.16 0.00 -0.15 0.00 0.00 55.06 56.23 3gnq s HIS 27 Cb 0.16 -3.35 0.07 0.00 1.11 0.00 0.00 32.58 30.56 3gnq s HIS 27 CO 0.72 -1.60 1.93 -0.25 -0.85 0.00 0.00 174.74 174.69 3gnq n ASP 28 N -0.95 4.52 -3.55 1.40 8.00 -1.26 -4.88 116.55 119.82 3gnq n ASP 28 Ca 0.10 -2.90 -0.14 0.00 0.71 0.00 0.00 54.79 52.56 3gnq n ASP 28 Cb 0.49 -1.69 -0.05 0.00 -0.02 0.00 0.00 41.12 39.85 3gnq n ASP 28 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3gnq s LEU 29 N 3.09 -0.16 -0.03 0.64 0.20 -1.26 -2.24 118.68 118.92 3gnq s LEU 29 Ca 0.50 0.15 0.00 0.00 0.69 0.00 0.00 54.13 55.47 3gnq s LEU 29 Cb 0.08 2.21 0.03 0.00 -0.43 0.00 0.00 46.19 48.08 3gnq s LEU 29 CO 0.00 -0.76 0.01 -1.83 -0.29 0.00 0.00 176.35 173.48 3gnq s GLU 30 N -2.66 0.27 -0.12 1.98 4.04 0.00 -4.84 118.70 117.38 3gnq s GLU 30 Ca -0.04 0.10 -0.26 0.00 0.04 0.00 0.00 54.97 54.82 3gnq s GLU 30 Cb -0.00 -0.49 -0.02 0.00 0.02 0.00 0.00 34.13 33.63 3gnq s GLU 30 CO -0.03 -0.16 0.82 0.42 -1.84 0.00 0.00 175.26 174.47 3gnq s ILE 31 N 1.14 4.91 -0.06 1.83 1.01 -1.26 -1.15 121.20 127.63 3gnq s ILE 31 Ca -0.08 1.65 0.02 0.00 0.00 0.00 0.00 60.65 62.24 3gnq s ILE 31 Cb -0.13 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 3gnq s ILE 31 CO -0.02 0.09 0.06 1.33 0.00 0.00 0.00 174.94 176.40 3gnq n VAL 32 N 4.42 0.00 -3.52 2.92 0.24 0.61 -4.76 118.33 118.23 3gnq n VAL 32 Ca 0.03 -0.37 -0.13 0.00 -2.04 0.00 0.00 64.34 61.84 3gnq n VAL 32 Cb 0.50 0.88 -0.04 0.00 -1.47 0.00 0.00 33.84 33.70 3gnq n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gnq s ALA 33 N -1.36 -1.82 -0.29 2.33 0.00 -1.25 -2.20 121.76 117.17 3gnq s ALA 33 Ca 0.00 1.26 -0.00 0.00 0.00 0.00 0.00 51.96 53.22 3gnq s ALA 33 Cb 0.01 -0.07 0.09 0.00 0.00 0.00 0.00 23.12 23.16 3gnq s ALA 33 CO 0.07 -0.45 0.07 0.42 0.00 0.00 0.00 175.76 175.86 3gnq s ILE 34 N -1.82 1.02 0.31 0.00 1.01 0.11 -1.27 121.20 120.55 3gnq s ILE 34 Ca -0.03 -1.35 -0.29 0.00 0.00 0.00 0.00 60.65 58.98 3gnq s ILE 34 Cb -0.00 -1.68 -0.10 0.00 0.01 0.00 0.00 42.46 40.69 3gnq s ILE 34 CO 0.01 -0.55 1.15 0.21 0.00 0.00 0.00 174.94 175.76 3gnq s ASN 35 N 1.57 7.08 0.00 3.58 2.47 -1.02 -1.48 114.94 127.13 3gnq s ASN 35 Ca 0.07 2.36 0.00 0.00 0.42 0.00 0.00 52.86 55.70 3gnq s ASN 35 Cb -0.18 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.00 3gnq s ASN 35 CO -0.19 -0.29 0.00 -0.67 -3.72 0.00 0.00 177.10 172.23 3gnq n ASP 36 N 0.95 0.00 -4.62 -4.21 4.64 -1.12 -2.43 116.55 109.76 3gnq n ASP 36 Ca -0.00 0.00 -0.34 0.00 -1.38 0.00 0.00 54.79 53.06 3gnq n ASP 36 Cb 0.44 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.42 3gnq n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3gnq s LEU 37 N 0.00 3.68 0.00 -2.67 2.01 -1.26 -3.97 118.68 116.46 3gnq s LEU 37 Ca 0.00 0.05 0.00 0.00 0.01 0.00 0.00 54.13 54.19 3gnq s LEU 37 Cb 0.00 -1.91 0.00 0.00 0.01 0.00 0.00 46.19 44.29 3gnq s LEU 37 CO 0.00 0.21 0.00 0.61 1.01 0.00 0.00 176.35 178.18 3gnq n GLY 38 N 3.31 3.72 3.92 -3.19 0.00 -1.26 -5.02 105.19 106.67 3gnq n GLY 38 Ca -0.17 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 3gnq n GLY 38 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3gnq s ASP 39 N 0.00 3.94 0.14 1.61 -4.77 -1.26 -4.87 116.67 111.46 3gnq s ASP 39 Ca 0.00 0.43 -0.08 0.00 -3.30 0.00 0.00 52.55 49.60 3gnq s ASP 39 Cb 0.00 -0.74 -0.03 0.00 -1.09 0.00 0.00 42.92 41.06 3gnq s ASP 39 CO 0.00 -2.22 1.41 0.00 0.70 0.00 0.00 175.17 175.07 3gnq h ALA 40 N -1.20 0.51 -0.03 2.11 0.00 -1.99 -2.51 119.26 116.14 3gnq h ALA 40 Ca -0.44 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 53.93 3gnq h ALA 40 Cb 1.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3gnq h ALA 40 CO 0.51 0.70 -0.03 0.87 0.00 0.00 0.00 179.25 181.29 3gnq h LYS 41 N 0.52 -0.04 0.20 0.00 6.56 -1.95 -1.73 116.57 120.14 3gnq h LYS 41 Ca -0.01 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.59 3gnq h LYS 41 Cb 1.23 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.85 3gnq h LYS 41 CO 0.13 -0.03 -0.43 1.15 -2.06 0.00 0.00 179.45 178.21 3gnq h THR 42 N -0.04 0.14 0.00 -0.16 2.02 -1.93 0.20 112.91 113.13 3gnq h THR 42 Ca 0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 3gnq h THR 42 Cb 0.08 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3gnq h THR 42 CO -0.06 0.00 -0.00 0.78 0.37 0.00 0.00 175.52 176.61 3gnq h ASN 43 N -0.72 0.00 -0.04 4.18 2.35 -1.40 -0.94 115.58 119.01 3gnq h ASN 43 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3gnq h ASN 43 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 3gnq h ASN 43 CO -0.20 0.00 -0.21 0.00 -1.65 0.00 0.00 177.43 175.36 3gnq h ALA 44 N 2.00 0.07 -0.46 -0.83 0.00 -0.55 -2.35 119.26 117.14 3gnq h ALA 44 Ca -0.00 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.55 3gnq h ALA 44 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3gnq h ALA 44 CO 0.00 0.07 0.19 1.25 0.00 0.00 0.00 179.25 180.75 3gnq h HIS 45 N -0.37 0.34 0.00 0.00 -0.00 0.40 -0.63 115.15 114.88 3gnq h HIS 45 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3gnq h HIS 45 Cb 0.89 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.22 3gnq h HIS 45 CO 0.15 0.14 0.00 -0.07 -0.00 0.00 0.00 177.93 178.15 3gnq h LEU 46 N 0.38 0.00 0.01 0.26 3.38 -1.30 0.24 115.31 118.28 3gnq h LEU 46 Ca 0.21 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.91 3gnq h LEU 46 Cb 0.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.95 3gnq h LEU 46 CO -0.19 0.00 -1.10 0.74 0.09 0.00 0.00 178.44 177.98 3gnq h THR 47 N 0.00 1.30 -0.04 0.22 2.02 -0.81 -3.37 112.91 112.23 3gnq h THR 47 Ca 0.00 -2.35 -0.13 0.00 0.77 0.00 0.00 66.41 64.69 3gnq h THR 47 Cb 0.61 2.49 0.01 0.00 -1.74 0.00 0.00 68.15 69.52 3gnq h THR 47 CO 0.00 0.72 -0.49 -0.61 0.37 0.00 0.00 175.52 175.51 3gnq h GLN 48 N 0.33 0.40 -6.44 6.66 5.75 -0.67 -3.40 115.11 117.75 3gnq h GLN 48 Ca -0.14 -0.38 -0.69 0.00 -0.15 0.00 0.00 58.65 57.29 3gnq h GLN 48 Cb 1.76 0.10 -0.22 0.00 1.07 0.00 0.00 27.48 30.18 3gnq h GLN 48 CO 0.21 1.04 -0.78 0.71 -2.65 0.00 0.00 178.83 177.36 3gnq s TYR 49 N -3.40 2.67 -0.22 3.99 2.02 0.03 -1.18 117.35 121.25 3gnq s TYR 49 Ca -0.13 -0.19 -0.16 0.00 -0.37 0.00 0.00 57.07 56.22 3gnq s TYR 49 Cb 0.04 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 40.11 3gnq s TYR 49 CO 0.81 0.25 0.55 0.34 -1.57 0.00 0.00 175.55 175.93 3gnq s ASP 50 N -1.19 -0.64 0.04 2.29 3.68 -1.21 -4.48 116.67 115.16 3gnq s ASP 50 Ca 0.14 1.15 -0.25 0.00 2.13 0.00 0.00 52.55 55.72 3gnq s ASP 50 Cb -0.11 1.11 -0.17 0.00 -1.45 0.00 0.00 42.92 42.30 3gnq s ASP 50 CO 0.04 -0.20 1.52 0.74 0.13 0.00 0.00 175.17 177.40 3gnq h THR 51 N 4.72 1.01 -0.16 1.71 2.02 -1.98 -0.70 112.91 119.54 3gnq h THR 51 Ca -0.30 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.31 3gnq h THR 51 Cb 1.19 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 3gnq h THR 51 CO 0.19 0.10 -0.46 0.00 0.37 0.00 0.00 175.52 175.72 3gnq h ALA 52 N 0.55 0.27 -0.01 6.16 0.00 -1.97 -3.32 119.26 120.94 3gnq h ALA 52 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gnq h ALA 52 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gnq h ALA 52 CO 0.02 0.42 -0.69 0.72 0.00 0.00 0.00 179.25 179.72 3gnq n HIS 53 N -4.22 0.00 -1.58 0.00 8.25 -1.25 -4.96 115.22 111.46 3gnq n HIS 53 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3gnq n HIS 53 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 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 1.42 -2.30 3.77 -1.41 0.00 -0.27 -4.88 105.19 101.52 3gnq n GLY 54 Ca 0.06 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.57 4.34 -0.04 1.61 2.20 -1.26 -3.34 119.74 122.68 3gnq s LYS 55 Ca 0.00 1.75 -0.30 0.00 -0.36 0.00 0.00 55.97 57.06 3gnq s LYS 55 Cb 0.00 -2.86 -0.05 0.00 -1.51 0.00 0.00 37.83 33.41 3gnq s LYS 55 CO 0.00 -0.05 1.47 0.12 -0.36 0.00 0.00 175.35 176.53 3gnq s PHE 56 N -1.37 2.58 -1.16 4.03 5.36 -0.33 -4.93 117.98 122.16 3gnq s PHE 56 Ca 0.52 0.64 -0.18 0.00 -0.96 0.00 0.00 56.93 56.95 3gnq s PHE 56 Cb -0.29 -3.73 0.11 0.00 -0.34 0.00 0.00 43.02 38.77 3gnq s PHE 56 CO 0.37 -2.83 1.48 -1.25 -1.46 0.00 0.00 175.22 171.53 3gnq s PRO 57 N 3.04 3.89 0.00 10.12 0.04 -1.26 -4.80 135.00 146.03 3gnq s PRO 57 Ca 0.66 -2.01 0.00 0.00 0.04 0.00 0.00 61.00 59.69 3gnq s PRO 57 Cb -0.31 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 28.99 3gnq s PRO 57 CO 0.26 -2.00 0.00 0.41 0.04 0.00 0.00 177.00 175.71 3gnq n GLY 58 N 5.23 1.63 3.78 0.56 0.00 -1.26 -5.02 105.19 110.12 3gnq n GLY 58 Ca 0.38 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 3gnq n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gnq s GLU 59 N -2.00 4.19 0.05 1.61 2.12 -1.26 -4.97 118.70 118.43 3gnq s GLU 59 Ca 0.00 0.55 0.06 0.00 0.36 0.00 0.00 54.97 55.94 3gnq s GLU 59 Cb 0.00 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 3gnq s GLU 59 CO 0.00 0.44 -0.17 0.08 -0.54 0.00 0.00 175.26 175.07 3gnq s VAL 60 N -0.34 1.36 0.07 3.70 1.01 -1.26 -1.72 120.40 123.23 3gnq s VAL 60 Ca 0.27 -1.14 -0.27 0.00 0.00 0.00 0.00 61.98 60.84 3gnq s VAL 60 Cb -0.17 -1.22 0.08 0.00 0.00 0.00 0.00 36.38 35.08 3gnq s VAL 60 CO 0.14 0.05 0.92 -0.94 0.00 0.00 0.00 175.10 175.27 3gnq s SER 61 N -1.27 -0.28 0.05 3.32 1.04 -0.63 -5.00 113.70 110.93 3gnq s SER 61 Ca 0.04 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.31 3gnq s SER 61 Cb -0.09 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 3gnq s SER 61 CO 0.02 -0.75 0.02 -0.69 0.98 0.00 0.00 173.24 172.81 3gnq s VAL 62 N -3.20 4.19 -0.38 5.02 1.01 -1.26 -0.08 120.40 125.70 3gnq s VAL 62 Ca 0.08 -0.78 0.11 0.00 0.00 0.00 0.00 61.98 61.39 3gnq s VAL 62 Cb -0.01 -2.95 0.33 0.00 0.00 0.00 0.00 36.38 33.75 3gnq s VAL 62 CO -0.04 0.23 0.69 -0.67 0.00 0.00 0.00 175.10 175.31 3gnq n ASP 63 N 0.89 0.75 0.00 3.32 2.03 -0.45 -4.93 116.55 118.17 3gnq n ASP 63 Ca -0.12 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.24 3gnq n ASP 63 Cb 0.52 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 3gnq n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gnq n GLY 64 N 0.52 1.63 2.02 0.27 0.00 -1.26 -3.84 105.19 104.53 3gnq n GLY 64 Ca 0.24 -0.34 -0.22 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 8.23 6.54 -3.73 1.61 10.43 -1.26 -4.90 116.55 133.47 3gnq n ASP 65 Ca 0.00 -3.28 -0.12 0.00 2.57 0.00 0.00 54.79 53.95 3gnq n ASP 65 Cb 0.00 -1.00 -0.11 0.00 1.84 0.00 0.00 41.12 41.85 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 -2.47 -0.46 -0.12 1.24 1.51 -1.25 -2.80 117.35 113.00 3gnq s TYR 66 Ca 0.42 1.06 -0.19 0.00 -1.01 0.00 0.00 57.07 57.35 3gnq s TYR 66 Cb 0.33 0.17 -0.04 0.00 -0.11 0.00 0.00 41.96 42.31 3gnq s TYR 66 CO 0.00 -0.25 0.50 -1.17 -1.11 0.00 0.00 175.55 173.52 3gnq s LEU 67 N 0.70 4.27 -0.25 -1.29 2.96 0.19 -1.34 118.68 123.93 3gnq s LEU 67 Ca -0.04 0.83 -0.05 0.00 -0.22 0.00 0.00 54.13 54.65 3gnq s LEU 67 Cb -0.05 -2.73 -0.00 0.00 0.50 0.00 0.00 46.19 43.91 3gnq s LEU 67 CO -0.05 -0.03 0.00 -0.69 -1.32 0.00 0.00 176.35 174.26 3gnq s VAL 68 N 0.75 3.58 -0.22 1.68 1.01 0.89 0.24 120.40 128.33 3gnq s VAL 68 Ca 0.27 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 3gnq s VAL 68 Cb -0.15 -2.72 0.06 0.00 0.00 0.00 0.00 36.38 33.57 3gnq s VAL 68 CO 0.11 0.29 -0.04 -0.69 0.00 0.00 0.00 175.10 174.77 3gnq s VAL 69 N 1.48 1.31 -1.48 2.92 1.01 -0.65 -1.60 120.40 123.39 3gnq s VAL 69 Ca 0.04 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 3gnq s VAL 69 Cb -0.15 -1.59 0.06 0.00 0.00 0.00 0.00 36.38 34.69 3gnq s VAL 69 CO -0.01 -0.06 0.75 0.59 0.00 0.00 0.00 175.10 176.36 3gnq n ASN 70 N 4.76 -2.61 0.00 3.32 3.02 -0.70 -2.20 115.26 120.85 3gnq n ASN 70 Ca -0.12 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3gnq n ASN 70 Cb 0.45 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.11 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 -1.68 2.48 3.71 7.41 0.00 -1.26 -5.02 105.19 110.83 3gnq n GLY 71 Ca -0.11 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 0.21 6.80 -0.63 1.61 1.01 -0.94 -4.98 116.67 119.75 3gnq s ASP 72 Ca 0.00 2.33 -0.21 0.00 0.71 0.00 0.00 52.55 55.38 3gnq s ASP 72 Cb 0.00 -2.58 0.08 0.00 1.01 0.00 0.00 42.92 41.43 3gnq s ASP 72 CO 0.00 -0.68 0.87 -0.13 0.21 0.00 0.00 175.17 175.43 3gnq s ARG 73 N 1.33 3.09 -0.24 8.23 0.52 -1.26 -1.63 118.95 128.98 3gnq s ARG 73 Ca 0.65 -1.01 -0.12 0.00 -0.52 0.00 0.00 55.73 54.73 3gnq s ARG 73 Cb -0.37 -4.24 -0.05 0.00 0.52 0.00 0.00 34.95 30.81 3gnq s ARG 73 CO 0.30 -1.71 0.24 0.42 0.02 0.00 0.00 175.30 174.57 3gnq s ILE 74 N 3.55 5.30 -0.08 1.52 1.01 0.14 -4.93 121.20 127.70 3gnq s ILE 74 Ca 0.18 0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.86 3gnq s ILE 74 Cb -0.20 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3gnq s ILE 74 CO 0.09 0.29 1.19 -0.60 0.00 0.00 0.00 174.94 175.91 3gnq s ARG 75 N 1.36 4.34 0.38 2.79 3.52 -0.94 0.55 118.95 130.94 3gnq s ARG 75 Ca 0.11 1.64 -0.15 0.00 -0.13 0.00 0.00 55.73 57.20 3gnq s ARG 75 Cb -0.14 -3.59 -0.09 0.00 -1.56 0.00 0.00 34.95 29.57 3gnq s ARG 75 CO 0.07 -0.48 0.80 0.08 -0.81 0.00 0.00 175.30 174.96 3gnq s VAL 76 N 2.42 4.64 0.32 7.11 1.01 -1.12 0.07 120.40 134.85 3gnq s VAL 76 Ca 0.55 0.99 -0.05 0.00 0.00 0.00 0.00 61.98 63.47 3gnq s VAL 76 Cb -0.23 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3gnq s VAL 76 CO 0.20 -0.32 0.47 -0.76 0.00 0.00 0.00 175.10 174.68 3gnq s LEU 77 N -3.30 0.87 -0.31 3.92 1.43 -0.55 -4.85 118.68 115.90 3gnq s LEU 77 Ca 0.55 -1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.17 3gnq s LEU 77 Cb -0.10 1.50 0.19 0.00 0.03 0.00 0.00 46.19 47.81 3gnq s LEU 77 CO 0.21 -1.26 1.07 0.00 0.23 0.00 0.00 176.35 176.60 3gnq s ALA 78 N -3.26 -4.27 -0.26 4.21 0.00 -1.25 -2.81 121.76 114.12 3gnq s ALA 78 Ca 0.29 1.35 -0.05 0.00 0.00 0.00 0.00 51.96 53.56 3gnq s ALA 78 Cb -0.00 -2.91 0.14 0.00 0.00 0.00 0.00 23.12 20.34 3gnq s ALA 78 CO 0.18 -2.25 0.51 1.21 0.00 0.00 0.00 175.76 175.41 3gnq s ASN 79 N 2.63 -0.65 0.34 0.00 3.04 -1.26 -5.01 114.94 114.03 3gnq s ASN 79 Ca 0.24 0.89 0.13 0.00 0.04 0.00 0.00 52.86 54.17 3gnq s ASN 79 Cb 0.00 1.74 1.06 0.00 -1.54 0.00 0.00 41.25 42.51 3gnq s ASN 79 CO -0.20 -0.25 1.65 0.08 -3.04 0.00 0.00 177.10 175.33 3gnq h ARG 80 N 8.09 0.24 -4.99 0.43 -0.00 -2.01 -3.36 114.38 112.79 3gnq h ARG 80 Ca -0.19 -0.01 -0.68 0.00 -0.00 0.00 0.00 59.98 59.09 3gnq h ARG 80 Cb 1.13 -0.05 -0.18 0.00 -0.00 0.00 0.00 29.97 30.87 3gnq h ARG 80 CO 0.20 0.16 0.08 1.21 -0.00 0.00 0.00 179.97 181.62 3gnq s ASN 81 N -4.88 6.23 0.00 0.08 2.47 -1.26 -4.94 114.94 112.63 3gnq s ASN 81 Ca -0.10 -0.93 0.23 0.00 0.42 0.00 0.00 52.86 52.47 3gnq s ASN 81 Cb 0.30 -2.30 1.19 0.00 -1.45 0.00 0.00 41.25 38.99 3gnq s ASN 81 CO 0.79 -0.93 1.73 -2.65 -3.72 0.00 0.00 177.10 172.32 3gnq n PRO 82 N 6.26 0.42 0.18 0.43 -0.02 -1.26 -3.03 135.00 137.98 3gnq n PRO 82 Ca -0.06 0.06 0.04 0.00 -2.02 0.00 0.00 63.50 61.52 3gnq n PRO 82 Cb 0.45 -1.50 0.31 0.00 -0.02 0.00 0.00 33.50 32.75 3gnq n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gnq h ALA 83 N 3.15 1.03 -0.44 3.55 0.00 -1.84 -3.12 119.26 121.59 3gnq h ALA 83 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3gnq h ALA 83 Cb 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gnq h ALA 83 CO 0.00 0.52 0.00 0.39 0.00 0.00 0.00 179.25 180.16 3gnq n GLU 84 N -3.64 2.50 -1.51 0.00 1.02 -1.17 -3.89 120.64 113.95 3gnq n GLU 84 Ca -0.01 -2.20 -0.30 0.00 -0.02 0.00 0.00 57.16 54.63 3gnq n GLU 84 Cb 0.52 -1.41 0.09 0.00 -0.02 0.00 0.00 31.44 30.61 3gnq n GLU 84 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gnq s LEU 85 N -1.12 2.72 0.00 -4.62 1.43 -1.18 -4.96 118.68 110.96 3gnq s LEU 85 Ca 0.34 1.43 0.23 0.00 -1.03 0.00 0.00 54.13 55.10 3gnq s LEU 85 Cb 0.18 -4.09 1.36 0.00 0.03 0.00 0.00 46.19 43.68 3gnq s LEU 85 CO 0.25 -1.91 1.76 -2.65 0.23 0.00 0.00 176.35 174.02 3gnq n PRO 86 N -3.41 0.68 -0.41 1.29 -0.02 -1.26 -4.21 135.00 127.67 3gnq n PRO 86 Ca 0.07 0.01 0.33 0.00 -2.02 0.00 0.00 63.50 61.89 3gnq n PRO 86 Cb 0.55 -1.50 0.54 0.00 -0.02 0.00 0.00 33.50 33.07 3gnq n PRO 86 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3gnq n TRP 87 N -1.03 0.38 0.48 6.00 5.03 -1.25 -0.05 117.44 126.99 3gnq n TRP 87 Ca 0.17 0.38 -0.19 0.00 3.03 0.00 0.00 57.50 60.90 3gnq n TRP 87 Cb 0.09 -0.78 -0.09 0.00 -1.03 0.00 0.00 31.31 29.50 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 -1.26 1.39 6.99 0.00 -1.73 -0.99 103.07 107.47 3gnq h GLY 88 Ca 0.68 0.47 -0.03 0.00 0.00 0.00 0.00 47.33 48.44 3gnq h GLY 88 CO -0.25 -0.46 0.21 1.05 0.00 0.00 0.00 176.54 177.09 3gnq h GLU 89 N -1.22 0.79 0.00 4.80 4.11 -0.80 -2.41 114.58 119.84 3gnq h GLU 89 Ca -0.12 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.19 3gnq h GLU 89 Cb 0.93 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3gnq h GLU 89 CO 0.20 0.65 0.00 1.28 0.07 0.00 0.00 179.01 181.21 3gnq n LEU 90 N -4.33 0.00 -2.24 3.06 4.77 -0.94 -4.89 117.00 112.43 3gnq n LEU 90 Ca 0.04 0.47 -0.14 0.00 -0.03 0.00 0.00 56.01 56.35 3gnq n LEU 90 Cb 0.16 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 40.82 3gnq n LEU 90 CO 0.38 -0.18 0.10 0.61 -1.33 0.00 0.00 177.39 176.97 3gnq n GLY 91 N 0.31 0.01 3.55 -0.72 0.00 -0.91 -4.90 105.19 102.54 3gnq n GLY 91 Ca 0.05 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.11 3.44 0.00 1.61 1.01 -0.40 -4.61 120.40 118.34 3gnq s VAL 92 Ca 0.30 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3gnq s VAL 92 Cb -0.13 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3gnq s VAL 92 CO 0.38 -1.09 0.40 0.47 0.00 0.00 0.00 175.10 175.25 3gnq n ASP 93 N 12.00 0.00 -4.76 3.32 8.00 -0.18 -2.99 116.55 131.94 3gnq n ASP 93 Ca 0.17 0.40 -0.37 0.00 0.71 0.00 0.00 54.79 55.70 3gnq n ASP 93 Cb 0.51 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.53 3gnq n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gnq s VAL 94 N -0.82 5.28 -0.11 2.53 1.01 -1.13 -1.77 120.40 125.39 3gnq s VAL 94 Ca 0.00 0.58 -0.06 0.00 0.00 0.00 0.00 61.98 62.51 3gnq s VAL 94 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3gnq s VAL 94 CO 0.00 0.43 0.10 -0.69 0.00 0.00 0.00 175.10 174.94 3gnq s VAL 95 N 0.12 5.17 -0.37 2.92 1.01 -0.77 -2.20 120.40 126.28 3gnq s VAL 95 Ca 0.18 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.16 3gnq s VAL 95 Cb -0.14 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.06 3gnq s VAL 95 CO 0.06 0.62 0.17 -0.04 0.00 0.00 0.00 175.10 175.90 3gnq s MET 96 N -0.98 2.65 -0.47 2.72 -1.94 -0.54 -1.21 119.30 119.53 3gnq s MET 96 Ca 0.14 -1.24 -0.21 0.00 -1.71 0.00 0.00 55.69 52.68 3gnq s MET 96 Cb -0.12 -3.61 0.03 0.00 2.01 0.00 0.00 34.83 33.15 3gnq s MET 96 CO 0.03 -0.75 0.67 -2.00 -0.01 0.00 0.00 175.02 172.96 3gnq s GLU 97 N 1.44 3.25 -0.09 2.03 2.56 -0.11 -1.74 118.70 126.03 3gnq s GLU 97 Ca 0.01 -0.48 0.14 0.00 0.00 0.00 0.00 54.97 54.64 3gnq s GLU 97 Cb -0.20 -3.99 0.30 0.00 2.00 0.00 0.00 34.13 32.23 3gnq s GLU 97 CO 0.03 -1.11 1.14 0.00 -0.56 0.00 0.00 175.26 174.77 3gnq h THR 99 N 3.46 1.43 0.00 0.00 1.35 -1.82 -3.45 112.91 113.89 3gnq h THR 99 Ca -0.05 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 3gnq h THR 99 Cb 1.30 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 70.01 3gnq h THR 99 CO 0.02 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 3gnq n GLY 100 N 0.53 1.23 2.56 5.82 0.00 -1.26 -4.99 105.19 109.08 3gnq n GLY 100 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 3gnq n GLY 100 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3gnq n PHE 101 N -0.66 -1.89 -3.01 1.61 1.16 -1.26 -4.94 117.46 108.46 3gnq n PHE 101 Ca 0.00 -1.56 -0.17 0.00 -1.87 0.00 0.00 57.45 53.85 3gnq n PHE 101 Cb 0.00 1.47 -0.02 0.00 -1.61 0.00 0.00 39.48 39.32 3gnq n PHE 101 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 3gnq n PHE 102 N -1.29 0.87 0.02 2.97 3.72 -1.26 -4.99 117.46 117.51 3gnq n PHE 102 Ca -0.15 -3.56 -0.07 0.00 -0.05 0.00 0.00 57.45 53.62 3gnq n PHE 102 Cb 0.84 -0.40 -0.12 0.00 -0.94 0.00 0.00 39.48 38.85 3gnq n PHE 102 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3gnq h THR 103 N 1.72 1.14 -4.50 4.37 1.35 -1.92 -3.37 112.91 111.70 3gnq h THR 103 Ca 0.06 -2.89 -0.48 0.00 -0.55 0.00 0.00 66.41 62.55 3gnq h THR 103 Cb 0.98 2.55 0.09 0.00 -1.73 0.00 0.00 68.15 70.03 3gnq h THR 103 CO 0.54 0.65 0.40 -0.94 -0.25 0.00 0.00 175.52 175.92 3gnq s SER 104 N -6.31 4.98 0.34 5.36 1.04 -1.26 -3.48 113.70 114.37 3gnq s SER 104 Ca -0.02 1.03 0.18 0.00 0.48 0.00 0.00 55.95 57.62 3gnq s SER 104 Cb 0.09 -1.71 0.43 0.00 0.10 0.00 0.00 66.02 64.93 3gnq s SER 104 CO 0.82 -1.63 1.61 0.50 0.98 0.00 0.00 173.24 175.52 3gnq h LYS 105 N -0.86 0.00 0.24 4.02 3.64 -1.89 -2.41 116.57 119.31 3gnq h LYS 105 Ca -0.46 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 3gnq h LYS 105 Cb 1.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 3gnq h LYS 105 CO 0.64 0.40 -0.23 0.93 -2.27 0.00 0.00 179.45 178.92 3gnq h GLU 106 N 0.00 -0.44 0.00 1.90 4.39 -1.96 -2.69 114.58 115.77 3gnq h GLU 106 Ca -0.00 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 3gnq h GLU 106 Cb 1.10 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3gnq h GLU 106 CO 0.05 -0.30 -0.15 0.87 -1.16 0.00 0.00 179.01 178.33 3gnq h LYS 107 N -0.46 0.00 -0.56 2.33 1.57 -1.90 -3.11 116.57 114.45 3gnq h LYS 107 Ca -0.03 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.45 3gnq h LYS 107 Cb 0.40 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.53 3gnq h LYS 107 CO -0.02 0.15 0.12 0.00 -0.57 0.00 0.00 179.45 179.13 3gnq n ALA 108 N -2.28 4.77 0.74 3.86 0.00 -0.91 -4.32 120.51 122.37 3gnq n ALA 108 Ca -0.01 -3.12 0.09 0.00 0.00 0.00 0.00 53.44 50.39 3gnq n ALA 108 Cb 0.28 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 18.83 3gnq n ALA 108 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gnq n SER 109 N -1.12 2.26 0.07 0.00 7.64 -1.02 -4.55 113.62 116.91 3gnq n SER 109 Ca 0.42 -1.63 -0.12 0.00 1.01 0.00 0.00 58.87 58.55 3gnq n SER 109 Cb 1.20 0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 64.47 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 3.32 -0.42 -1.16 -0.43 0.00 -1.81 -1.80 119.26 116.96 3gnq h ALA 110 Ca 0.00 -0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.22 3gnq h ALA 110 Cb 0.69 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 3gnq h ALA 110 CO 0.00 -0.80 0.77 0.45 0.00 0.00 0.00 179.25 179.67 3gnq h HIS 111 N -0.45 0.47 0.25 0.00 3.86 -1.80 -1.04 115.15 116.43 3gnq h HIS 111 Ca 0.05 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3gnq h HIS 111 Cb 0.52 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3gnq h HIS 111 CO -0.30 -0.02 -0.12 1.25 0.86 0.00 0.00 177.93 179.60 3gnq h LEU 112 N 0.23 -0.28 -0.98 2.43 5.85 -1.45 0.53 115.31 121.64 3gnq h LEU 112 Ca 0.65 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 59.10 3gnq h LEU 112 Cb 1.97 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 43.07 3gnq h LEU 112 CO -0.25 0.18 -0.12 0.11 -0.34 0.00 0.00 178.44 178.02 3gnq h LYS 113 N -0.83 0.00 -0.97 1.25 6.56 -1.45 -3.29 116.57 117.84 3gnq h LYS 113 Ca -0.03 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.35 3gnq h LYS 113 Cb 0.51 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.05 3gnq h LYS 113 CO 0.06 0.12 0.26 0.41 -2.06 0.00 0.00 179.45 178.23 3gnq n GLY 114 N 0.35 3.00 0.00 3.86 0.00 -0.41 -4.86 105.19 107.13 3gnq n GLY 114 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3gnq n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gnq n GLY 115 N -0.17 3.22 3.76 -0.02 0.00 -1.17 -3.84 105.19 106.97 3gnq n GLY 115 Ca 0.25 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.06 3.37 -0.10 4.61 0.00 0.17 -4.25 121.76 125.50 3gnq s ALA 116 Ca 0.00 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 3gnq s ALA 116 Cb 0.00 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 3gnq s ALA 116 CO 0.00 -0.13 0.40 0.87 0.00 0.00 0.00 175.76 176.91 3gnq h LYS 117 N 3.72 -0.07 -5.97 0.00 1.57 -1.41 -3.35 116.57 111.05 3gnq h LYS 117 Ca -0.47 0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 57.73 3gnq h LYS 117 Cb 1.21 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 3gnq h LYS 117 CO 0.67 0.29 -0.71 0.15 -0.57 0.00 0.00 179.45 179.27 3gnq s LYS 118 N -2.18 1.70 -0.05 3.15 -0.14 -0.73 -4.84 119.74 116.65 3gnq s LYS 118 Ca -0.08 -1.83 -0.03 0.00 -1.36 0.00 0.00 55.97 52.67 3gnq s LYS 118 Cb -0.01 -1.63 0.03 0.00 -1.68 0.00 0.00 37.83 34.54 3gnq s LYS 118 CO 0.29 0.21 0.11 0.08 -0.76 0.00 0.00 175.35 175.28 3gnq s VAL 119 N -2.64 -0.03 -0.27 3.17 1.01 0.22 -1.85 120.40 120.01 3gnq s VAL 119 Ca 0.30 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 3gnq s VAL 119 Cb -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.22 3gnq s VAL 119 CO 0.15 0.04 -0.02 -0.63 0.00 0.00 0.00 175.10 174.64 3gnq s ILE 120 N 0.68 3.08 -0.07 2.22 1.01 -0.35 -2.16 121.20 125.60 3gnq s ILE 120 Ca -0.05 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.24 3gnq s ILE 120 Cb -0.07 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 3gnq s ILE 120 CO -0.03 0.10 1.00 -0.63 0.00 0.00 0.00 174.94 175.38 3gnq s ILE 121 N 1.33 4.81 -0.14 2.92 1.01 -1.08 -0.93 121.20 129.12 3gnq s ILE 121 Ca -0.01 2.05 0.00 0.00 0.00 0.00 0.00 60.65 62.70 3gnq s ILE 121 Cb -0.17 -4.32 0.15 0.00 0.01 0.00 0.00 42.46 38.13 3gnq s ILE 121 CO -0.02 0.05 1.52 -1.54 0.00 0.00 0.00 174.94 174.95 3gnq n SER 122 N 4.69 4.21 -3.76 3.58 3.41 -0.57 -1.67 113.62 123.51 3gnq n SER 122 Ca 0.08 -2.55 -0.10 0.00 -0.26 0.00 0.00 58.87 56.04 3gnq n SER 122 Cb 0.49 -0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 63.62 3gnq n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gnq s ALA 123 N -0.92 -0.72 0.19 7.33 0.00 -1.24 -4.93 121.76 121.48 3gnq s ALA 123 Ca 0.16 -0.33 -0.32 0.00 0.00 0.00 0.00 51.96 51.47 3gnq s ALA 123 Cb 0.13 0.81 -0.15 0.00 0.00 0.00 0.00 23.12 23.90 3gnq s ALA 123 CO 0.02 -0.73 1.11 -0.35 0.00 0.00 0.00 175.76 175.81 3gnq n PRO 124 N -0.28 1.16 -2.10 0.00 -0.04 -1.12 -4.06 135.00 128.56 3gnq n PRO 124 Ca -0.11 0.41 -0.22 0.00 -0.04 0.00 0.00 63.50 63.54 3gnq n PRO 124 Cb 0.63 -1.87 0.13 0.00 -0.04 0.00 0.00 33.50 32.35 3gnq n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gnq n GLY 125 N 1.86 -0.07 3.94 0.55 0.00 -1.26 -4.90 105.19 105.32 3gnq n GLY 125 Ca 0.14 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 3gnq n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gnq s GLY 126 N -5.05 1.52 0.37 -0.02 0.00 -1.23 -4.93 107.32 97.99 3gnq s GLY 126 Ca 0.61 -0.91 0.21 0.00 0.00 0.00 0.00 44.72 44.62 3gnq s GLY 126 CO 0.41 -0.75 1.61 0.50 0.00 0.00 0.00 173.10 174.87 3gnq h LYS 127 N 0.38 0.09 -0.00 2.90 6.56 -1.99 -0.91 116.57 123.59 3gnq h LYS 127 Ca -0.47 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 3gnq h LYS 127 Cb 1.24 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 3gnq h LYS 127 CO 0.59 0.06 -0.06 -0.40 -2.06 0.00 0.00 179.45 177.58 3gnq n ASP 128 N -5.14 0.40 -4.74 0.86 5.75 -1.26 -4.94 116.55 107.49 3gnq n ASP 128 Ca 0.36 -0.66 -0.39 0.00 -0.01 0.00 0.00 54.79 54.10 3gnq n ASP 128 Cb 1.23 -0.09 0.04 0.00 -1.03 0.00 0.00 41.12 41.28 3gnq n ASP 128 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3gnq n VAL 129 N -0.92 3.85 -0.28 2.12 0.24 -0.35 -4.90 118.33 118.09 3gnq n VAL 129 Ca 0.16 -0.50 -0.05 0.00 -2.04 0.00 0.00 64.34 61.92 3gnq n VAL 129 Cb 0.25 -1.63 0.06 0.00 -1.47 0.00 0.00 33.84 31.05 3gnq n VAL 129 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3gnq h ASP 130 N 1.37 0.91 -5.01 -1.34 5.19 -0.86 -3.46 116.42 113.23 3gnq h ASP 130 Ca -0.51 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 55.84 3gnq h ASP 130 Cb 1.31 -0.23 -0.11 0.00 0.18 0.00 0.00 39.33 40.48 3gnq h ASP 130 CO 0.57 0.71 0.20 0.00 -3.12 0.00 0.00 179.24 177.60 3gnq s ALA 131 N -5.97 -1.48 -0.23 3.45 0.00 -1.26 -5.00 121.76 111.27 3gnq s ALA 131 Ca -0.13 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.13 3gnq s ALA 131 Cb 0.15 0.88 0.05 0.00 0.00 0.00 0.00 23.12 24.20 3gnq s ALA 131 CO 0.79 -0.82 -0.09 0.99 0.00 0.00 0.00 175.76 176.63 3gnq s THR 132 N -3.79 1.78 -0.19 0.00 2.01 -1.26 0.53 115.64 114.73 3gnq s THR 132 Ca 0.03 -1.27 -0.06 0.00 0.31 0.00 0.00 61.69 60.70 3gnq s THR 132 Cb -0.02 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 3gnq s THR 132 CO -0.09 0.03 0.03 -0.63 -0.69 0.00 0.00 174.62 173.28 3gnq s ILE 133 N 1.30 4.38 -0.45 1.82 -1.09 0.15 -4.68 121.20 122.64 3gnq s ILE 133 Ca -0.05 -0.17 -0.12 0.00 -2.23 0.00 0.00 60.65 58.08 3gnq s ILE 133 Cb -0.18 -2.97 0.08 0.00 -1.58 0.00 0.00 42.46 37.81 3gnq s ILE 133 CO -0.07 0.45 0.33 -0.69 -1.23 0.00 0.00 174.94 173.73 3gnq s VAL 134 N 0.63 4.66 0.44 2.92 1.01 -1.26 -3.74 120.40 125.06 3gnq s VAL 134 Ca 0.01 -1.33 -0.26 0.00 0.00 0.00 0.00 61.98 60.41 3gnq s VAL 134 Cb -0.14 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 3gnq s VAL 134 CO 0.02 -0.59 1.42 -0.47 0.00 0.00 0.00 175.10 175.48 3gnq s TYR 135 N 1.51 2.50 0.00 5.22 5.04 -1.26 -1.58 117.35 128.78 3gnq s TYR 135 Ca 0.04 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.93 3gnq s TYR 135 Cb -0.24 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.16 3gnq s TYR 135 CO 0.03 -2.87 0.00 0.41 -1.34 0.00 0.00 175.55 171.78 3gnq n GLY 136 N 0.58 3.20 0.24 8.97 0.00 -1.26 -4.80 105.19 112.11 3gnq n GLY 136 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.99 1.21 -2.70 1.61 0.31 -0.61 -4.86 118.33 111.30 3gnq n VAL 137 Ca 0.00 -0.36 -0.01 0.00 -0.01 0.00 0.00 64.34 63.95 3gnq n VAL 137 Cb 0.00 -1.61 0.09 0.00 -0.91 0.00 0.00 33.84 31.42 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 -3.69 -0.36 0.00 4.52 0.23 -1.03 -4.88 115.26 110.04 3gnq n ASN 138 Ca -0.42 -2.14 0.10 0.00 -0.53 0.00 0.00 54.58 51.60 3gnq n ASN 138 Cb 0.84 0.26 0.50 0.00 -2.08 0.00 0.00 39.78 39.30 3gnq n ASN 138 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gnq n HIS 139 N -1.13 0.00 0.24 -2.53 1.44 -1.26 -3.11 115.22 108.87 3gnq n HIS 139 Ca -0.09 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.69 3gnq n HIS 139 Cb 0.85 -0.37 0.60 0.00 0.12 0.00 0.00 29.99 31.19 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 0.00 0.64 4.39 3.32 -1.97 -3.05 116.42 119.76 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 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3gnq h ASP 140 CO 0.00 0.13 0.00 1.33 -1.72 0.00 0.00 179.24 178.98 3gnq n VAL 141 N -4.21 0.89 -2.03 -1.35 0.24 -1.18 -4.80 118.33 105.89 3gnq n VAL 141 Ca -0.02 0.23 -0.41 0.00 -2.04 0.00 0.00 64.34 62.09 3gnq n VAL 141 Cb 0.20 -1.06 -0.02 0.00 -1.47 0.00 0.00 33.84 31.49 3gnq n VAL 141 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gnq s LEU 142 N -3.76 4.39 0.07 1.34 1.43 -1.15 -5.03 118.68 115.97 3gnq s LEU 142 Ca 0.06 2.65 0.03 0.00 -1.03 0.00 0.00 54.13 55.84 3gnq s LEU 142 Cb 0.10 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 3gnq s LEU 142 CO 0.34 -0.69 -0.09 -0.54 0.23 0.00 0.00 176.35 175.60 3gnq s LYS 143 N -0.41 0.73 0.63 1.70 1.02 -1.26 -4.54 119.74 117.60 3gnq s LYS 143 Ca 0.59 -1.02 0.34 0.00 0.02 0.00 0.00 55.97 55.90 3gnq s LYS 143 Cb -0.41 -0.42 1.94 0.00 -0.52 0.00 0.00 37.83 38.42 3gnq s LYS 143 CO 0.43 0.06 2.19 0.00 -0.92 0.00 0.00 175.35 177.12 3gnq h ALA 144 N 3.87 1.42 0.00 5.17 0.00 -1.92 -1.62 119.26 126.18 3gnq h ALA 144 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3gnq h ALA 144 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3gnq h ALA 144 CO 0.49 -0.15 0.00 -0.85 0.00 0.00 0.00 179.25 178.74 3gnq n GLU 145 N -3.44 1.00 -3.52 0.00 0.28 -1.26 -4.82 120.64 108.88 3gnq n GLU 145 Ca -0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.61 3gnq n GLU 145 Cb 0.20 -1.23 -0.06 0.00 1.43 0.00 0.00 31.44 31.79 3gnq n GLU 145 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3gnq s HIS 146 N -2.00 3.71 0.00 -1.84 3.76 -0.61 -4.98 115.29 113.33 3gnq s HIS 146 Ca 0.22 0.96 0.00 0.00 -0.15 0.00 0.00 55.06 56.08 3gnq s HIS 146 Cb 0.10 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.53 3gnq s HIS 146 CO 0.17 0.63 0.00 0.25 -0.85 0.00 0.00 174.74 174.94 3gnq n THR 147 N 1.71 0.00 -3.79 1.30 -2.24 -1.26 -4.92 114.28 105.08 3gnq n THR 147 Ca -0.13 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.35 3gnq n THR 147 Cb 0.52 -0.13 -0.15 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.05 1.30 0.57 2.28 1.01 -1.26 0.69 120.40 123.95 3gnq s VAL 148 Ca 0.00 -1.89 0.08 0.00 0.00 0.00 0.00 61.98 60.18 3gnq s VAL 148 Cb 0.00 -1.96 0.08 0.00 0.00 0.00 0.00 36.38 34.50 3gnq s VAL 148 CO 0.00 -0.72 0.68 0.27 0.00 0.00 0.00 175.10 175.34 3gnq s ILE 149 N 1.15 1.96 -0.01 2.22 -4.36 -0.92 -0.11 121.20 121.13 3gnq s ILE 149 Ca 0.12 -1.15 0.03 0.00 -0.26 0.00 0.00 60.65 59.39 3gnq s ILE 149 Cb -0.19 -2.11 -0.01 0.00 1.25 0.00 0.00 42.46 41.40 3gnq s ILE 149 CO -0.15 0.00 -0.11 -0.55 0.24 0.00 0.00 174.94 174.36 3gnq s SER 150 N -4.56 1.31 -0.07 4.36 0.15 0.19 -2.62 113.70 112.46 3gnq s SER 150 Ca 0.53 -0.21 0.10 0.00 0.70 0.00 0.00 55.95 57.07 3gnq s SER 150 Cb -0.05 -0.14 0.41 0.00 -1.71 0.00 0.00 66.02 64.53 3gnq s SER 150 CO 0.34 0.13 1.24 -3.20 1.20 0.00 0.00 173.24 172.95 3gnq n ASN 151 N 2.76 2.95 0.00 5.45 5.15 -0.67 0.33 115.26 131.22 3gnq n ASN 151 Ca -0.14 -2.27 0.00 0.00 -0.60 0.00 0.00 54.58 51.57 3gnq n ASN 151 Cb 0.56 -0.45 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 0.51 0.00 -2.41 5.20 0.00 -1.25 -4.72 120.51 117.85 3gnq n ALA 152 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.35 3gnq n ALA 152 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 4.60 0.20 0.00 1.04 -1.26 -2.78 113.70 111.50 3gnq s SER 153 Ca 0.00 -0.94 -0.11 0.00 0.48 0.00 0.00 55.95 55.38 3gnq s SER 153 Cb 0.00 -0.55 0.13 0.00 0.10 0.00 0.00 66.02 65.69 3gnq s SER 153 CO 0.00 -0.51 1.81 0.00 0.98 0.00 0.00 173.24 175.52 3gnq h THR 155 N 0.97 1.26 -0.26 0.00 2.02 -1.95 -2.47 112.91 112.47 3gnq h THR 155 Ca 0.25 -1.17 -0.12 0.00 0.77 0.00 0.00 66.41 66.14 3gnq h THR 155 Cb 0.05 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3gnq h THR 155 CO -0.04 0.42 -0.35 0.74 0.37 0.00 0.00 175.52 176.66 3gnq h THR 156 N 0.91 1.29 0.00 3.16 2.02 -1.75 0.69 112.91 119.23 3gnq h THR 156 Ca 0.16 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.86 3gnq h THR 156 Cb 0.58 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3gnq h THR 156 CO 0.03 0.47 0.00 0.78 0.37 0.00 0.00 175.52 177.17 3gnq h ASN 157 N 0.48 0.00 0.06 4.18 2.35 -1.05 -0.89 115.58 120.71 3gnq h ASN 157 Ca 0.05 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.55 3gnq h ASN 157 Cb 0.83 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 3gnq h ASN 157 CO 0.07 0.00 -1.31 0.00 -1.65 0.00 0.00 177.43 174.54 3gnq h LEU 159 N -0.59 0.39 0.16 0.00 5.85 -0.71 -3.02 115.31 117.37 3gnq h LEU 159 Ca -0.31 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3gnq h LEU 159 Cb 1.55 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 3gnq h LEU 159 CO -0.05 0.45 -0.16 0.00 -0.34 0.00 0.00 178.44 178.34 3gnq h ALA 160 N 0.95 -0.31 0.00 1.25 0.00 -1.38 -0.69 119.26 119.07 3gnq h ALA 160 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gnq h ALA 160 Cb 0.19 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gnq h ALA 160 CO -0.01 -0.70 -0.03 -1.35 0.00 0.00 0.00 179.25 177.17 3gnq h PRO 161 N -0.35 0.00 0.05 0.00 0.11 -1.75 -1.72 132.00 128.33 3gnq h PRO 161 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gnq h PRO 161 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3gnq h PRO 161 CO -0.04 0.03 -0.02 1.25 -0.21 0.00 0.00 178.00 179.00 3gnq h LEU 162 N 0.00 -0.05 -0.15 2.35 5.85 -1.04 -3.38 115.31 118.89 3gnq h LEU 162 Ca -0.00 -0.47 -0.22 0.00 0.84 0.00 0.00 57.88 58.03 3gnq h LEU 162 Cb 0.07 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3gnq h LEU 162 CO 0.00 0.46 -0.98 1.62 -0.34 0.00 0.00 178.44 179.20 3gnq h VAL 163 N -0.58 1.47 0.35 1.05 3.04 -0.93 -3.37 116.25 117.27 3gnq h VAL 163 Ca -0.01 -2.68 -0.00 0.00 -1.01 0.00 0.00 66.70 63.01 3gnq h VAL 163 Cb 0.52 2.56 -0.02 0.00 -2.01 0.00 0.00 31.29 32.33 3gnq h VAL 163 CO 0.01 0.79 -0.37 0.50 -1.01 0.00 0.00 177.57 177.49 3gnq h LYS 164 N 0.14 -0.72 0.00 4.17 3.64 -1.50 0.22 116.57 122.52 3gnq h LYS 164 Ca -0.07 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3gnq h LYS 164 Cb 1.64 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.61 3gnq h LYS 164 CO 0.16 -0.48 -0.24 -1.35 -2.27 0.00 0.00 179.45 175.27 3gnq h PRO 165 N -0.75 0.00 -0.25 1.90 0.11 -1.77 -0.52 132.00 130.71 3gnq h PRO 165 Ca -0.02 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 3gnq h PRO 165 Cb 0.68 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 3gnq h PRO 165 CO -0.08 0.24 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.61 3gnq h LEU 166 N 0.00 0.67 -1.15 2.35 3.38 -1.57 -2.86 115.31 116.12 3gnq h LEU 166 Ca -0.00 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 3gnq h LEU 166 Cb 0.48 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3gnq h LEU 166 CO 0.03 1.02 -0.12 -1.13 0.09 0.00 0.00 178.44 178.33 3gnq h ASN 167 N 0.34 0.43 0.46 -0.43 -1.24 -0.05 0.11 115.58 115.20 3gnq h ASN 167 Ca 0.04 -0.11 -0.13 0.00 0.71 0.00 0.00 56.30 56.82 3gnq h ASN 167 Cb 0.84 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.76 3gnq h ASN 167 CO 0.07 0.59 -0.56 0.44 -1.29 0.00 0.00 177.43 176.68 3gnq h ASP 168 N 0.42 0.11 0.00 1.15 5.19 -1.05 -2.03 116.42 120.20 3gnq h ASP 168 Ca 0.08 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3gnq h ASP 168 Cb 0.46 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.94 3gnq h ASP 168 CO 0.03 0.65 -0.37 0.29 -3.12 0.00 0.00 179.24 176.71 3gnq n LYS 169 N -3.89 4.20 -0.07 3.56 5.02 -1.09 -4.75 118.16 121.14 3gnq n LYS 169 Ca -0.02 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.16 3gnq n LYS 169 Cb 0.57 -0.67 -0.06 0.00 -0.02 0.00 0.00 35.03 34.85 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 -1.15 0.75 -0.12 -0.18 5.41 0.28 -5.08 119.36 119.27 3gnq n ILE 170 Ca 0.00 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.50 3gnq n ILE 170 Cb 0.00 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 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 2.60 -0.97 3.41 7.39 0.00 -0.66 -3.99 105.19 112.97 3gnq n GLY 171 Ca -0.25 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 3gnq n GLY 171 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gnq s LEU 172 N -0.27 3.12 0.00 0.99 0.20 -1.26 -1.14 118.68 120.32 3gnq s LEU 172 Ca 0.00 -0.25 0.00 0.00 0.69 0.00 0.00 54.13 54.57 3gnq s LEU 172 Cb 0.00 -1.78 0.00 0.00 -0.43 0.00 0.00 46.19 43.98 3gnq s LEU 172 CO 0.00 0.06 0.00 1.21 -0.29 0.00 0.00 176.35 177.33 3gnq n GLU 173 N 4.26 0.00 -4.25 1.98 2.13 -0.00 -4.93 120.64 119.83 3gnq n GLU 173 Ca -0.17 0.41 -0.14 0.00 0.66 0.00 0.00 57.16 57.91 3gnq n GLU 173 Cb 0.52 -0.90 -0.10 0.00 0.27 0.00 0.00 31.44 31.22 3gnq n GLU 173 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3gnq s THR 174 N -0.90 0.66 -0.12 6.31 -4.23 -1.26 -4.86 115.64 111.25 3gnq s THR 174 Ca 0.00 -1.98 -0.19 0.00 -1.18 0.00 0.00 61.69 58.34 3gnq s THR 174 Cb 0.00 -2.17 0.05 0.00 1.34 0.00 0.00 72.50 71.71 3gnq s THR 174 CO 0.00 -0.42 0.48 -0.83 -0.54 0.00 0.00 174.62 173.30 3gnq s GLY 175 N -3.19 -0.35 -0.04 3.99 0.00 -0.55 -0.94 107.32 106.24 3gnq s GLY 175 Ca 0.25 1.10 0.07 0.00 0.00 0.00 0.00 44.72 46.14 3gnq s GLY 175 CO 0.05 0.87 -0.25 1.08 0.00 0.00 0.00 173.10 174.86 3gnq s LEU 176 N -0.41 2.11 0.01 0.66 1.43 -0.47 -2.47 118.68 119.55 3gnq s LEU 176 Ca -0.05 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3gnq s LEU 176 Cb -0.03 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 3gnq s LEU 176 CO 0.03 0.28 -0.05 -0.32 0.23 0.00 0.00 176.35 176.52 3gnq s MET 177 N -0.37 2.60 -0.13 1.70 -2.45 0.19 -1.17 119.30 119.66 3gnq s MET 177 Ca 0.03 -0.71 0.00 0.00 -1.25 0.00 0.00 55.69 53.76 3gnq s MET 177 Cb -0.12 -2.54 0.02 0.00 1.25 0.00 0.00 34.83 33.44 3gnq s MET 177 CO 0.02 0.60 -0.13 0.99 1.05 0.00 0.00 175.02 177.55 3gnq s THR 178 N -1.03 1.43 -0.37 10.11 2.01 0.44 -2.37 115.64 125.87 3gnq s THR 178 Ca 0.18 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.50 3gnq s THR 178 Cb -0.11 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 71.05 3gnq s THR 178 CO 0.08 0.43 0.23 0.28 -0.69 0.00 0.00 174.62 174.96 3gnq s THR 179 N 1.45 4.87 -0.21 -0.82 -1.32 -0.39 -0.21 115.64 119.02 3gnq s THR 179 Ca 0.03 -0.62 -0.28 0.00 -1.21 0.00 0.00 61.69 59.60 3gnq s THR 179 Cb -0.13 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.22 3gnq s THR 179 CO -0.09 -0.16 1.00 -0.63 -2.21 0.00 0.00 174.62 172.53 3gnq s ILE 180 N 1.63 4.72 -0.02 5.08 1.01 0.45 -1.55 121.20 132.51 3gnq s ILE 180 Ca 0.04 1.96 0.02 0.00 0.00 0.00 0.00 60.65 62.68 3gnq s ILE 180 Cb -0.18 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.01 3gnq s ILE 180 CO 0.08 -0.13 -0.08 -2.28 0.00 0.00 0.00 174.94 172.52 3gnq s HIS 181 N 2.95 0.86 0.66 3.97 2.46 -0.02 -0.23 115.29 125.94 3gnq s HIS 181 Ca 0.43 -0.20 -0.18 0.00 0.47 0.00 0.00 55.06 55.59 3gnq s HIS 181 Cb -0.16 -0.61 -0.00 0.00 -0.13 0.00 0.00 32.58 31.68 3gnq s HIS 181 CO 0.08 -0.08 1.29 0.00 -2.47 0.00 0.00 174.74 173.56 3gnq s ALA 182 N 0.12 2.34 0.81 1.58 0.00 -1.25 -1.04 121.76 124.31 3gnq s ALA 182 Ca -0.02 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 3gnq s ALA 182 Cb -0.07 -3.55 0.08 0.00 0.00 0.00 0.00 23.12 19.58 3gnq s ALA 182 CO 0.00 -1.65 1.09 1.52 0.00 0.00 0.00 175.76 176.73 3gnq s TYR 183 N -1.45 2.48 0.20 0.00 -0.85 -0.59 -4.76 117.35 112.37 3gnq s TYR 183 Ca 0.82 1.48 -0.03 0.00 -0.52 0.00 0.00 57.07 58.82 3gnq s TYR 183 Cb -0.37 -3.09 -0.04 0.00 0.38 0.00 0.00 41.96 38.85 3gnq s TYR 183 CO 0.40 -2.00 0.17 0.95 -1.52 0.00 0.00 175.55 173.55 3gnq s THR 184 N -2.90 0.01 -1.99 -3.49 -4.23 -1.26 -4.70 115.64 97.08 3gnq s THR 184 Ca 0.62 -1.91 0.20 0.00 -1.18 0.00 0.00 61.69 59.41 3gnq s THR 184 Cb -0.18 -2.42 0.55 0.00 1.34 0.00 0.00 72.50 71.80 3gnq s THR 184 CO 0.56 -0.04 1.56 0.59 -0.54 0.00 0.00 174.62 176.75 3gnq n ASN 185 N -0.27 0.00 -0.31 3.99 3.02 -1.26 -1.59 115.26 118.84 3gnq n ASN 185 Ca 0.01 -0.60 0.14 0.00 -0.03 0.00 0.00 54.58 54.10 3gnq n ASN 185 Cb 0.65 -0.01 0.49 0.00 -0.61 0.00 0.00 39.78 40.31 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 -1.01 1.10 -3.11 6.41 3.85 -1.26 -4.91 116.55 117.62 3gnq n ASP 186 Ca 0.15 -1.09 -0.09 0.00 -0.71 0.00 0.00 54.79 53.04 3gnq n ASP 186 Cb 0.07 0.05 0.04 0.00 -1.35 0.00 0.00 41.12 39.93 3gnq n ASP 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gnq n GLN 187 N -0.38 0.53 -4.17 0.11 6.02 -0.62 -5.00 117.38 113.87 3gnq n GLN 187 Ca 0.16 -1.18 -0.13 0.00 -0.01 0.00 0.00 57.00 55.84 3gnq n GLN 187 Cb 0.33 -0.20 -0.10 0.00 1.02 0.00 0.00 30.24 31.28 3gnq n GLN 187 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3gnq s VAL 188 N -0.86 0.81 -0.06 5.09 -7.23 -1.25 -5.03 120.40 111.86 3gnq s VAL 188 Ca 0.26 -1.75 -0.18 0.00 -1.81 0.00 0.00 61.98 58.50 3gnq s VAL 188 Cb -0.02 -1.46 -0.30 0.00 0.56 0.00 0.00 36.38 35.16 3gnq s VAL 188 CO 0.17 -0.70 0.75 -0.07 -0.31 0.00 0.00 175.10 174.95 3gnq h LEU 189 N 3.33 0.47 -7.67 1.32 3.38 -1.95 0.13 115.31 114.31 3gnq h LEU 189 Ca -0.36 -0.91 -0.19 0.00 0.09 0.00 0.00 57.88 56.51 3gnq h LEU 189 Cb 1.18 -0.15 -0.26 0.00 0.09 0.00 0.00 40.66 41.52 3gnq h LEU 189 CO 0.58 1.53 -0.60 0.28 0.09 0.00 0.00 178.44 180.32 3gnq s THR 190 N -2.47 0.02 -0.34 0.22 -1.32 -1.26 -4.41 115.64 106.08 3gnq s THR 190 Ca -0.16 -0.15 -0.41 0.00 -1.21 0.00 0.00 61.69 59.76 3gnq s THR 190 Cb 0.03 -0.19 -0.16 0.00 -1.51 0.00 0.00 72.50 70.67 3gnq s THR 190 CO 0.81 -0.08 1.79 0.47 -2.21 0.00 0.00 174.62 175.41 3gnq n ASP 191 N 2.74 2.08 -3.84 8.08 9.92 -1.26 -4.74 116.55 129.52 3gnq n ASP 191 Ca -0.14 1.01 -0.10 0.00 -0.53 0.00 0.00 54.79 55.03 3gnq n ASP 191 Cb 0.59 -1.09 -0.06 0.00 -0.64 0.00 0.00 41.12 39.91 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 4.00 0.06 0.18 2.53 0.11 -0.58 -5.00 120.40 121.70 3gnq s VAL 192 Ca 1.02 -1.07 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 3gnq s VAL 192 Cb -1.15 -1.61 -0.17 0.00 -1.53 0.00 0.00 36.38 31.92 3gnq s VAL 192 CO 0.67 -0.29 0.62 0.00 -3.33 0.00 0.00 175.10 172.77 3gnq n TYR 193 N -0.23 -0.25 -3.56 1.54 9.36 -1.26 -4.50 117.16 118.26 3gnq n TYR 193 Ca -0.10 0.97 -0.17 0.00 3.32 0.00 0.00 57.90 61.91 3gnq n TYR 193 Cb 0.63 -1.99 -0.06 0.00 -0.63 0.00 0.00 39.34 37.28 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 -0.86 -0.63 0.41 2.98 2.46 -1.26 -4.90 115.29 113.49 3gnq s HIS 194 Ca 0.67 1.15 0.08 0.00 0.47 0.00 0.00 55.06 57.43 3gnq s HIS 194 Cb -0.96 0.36 0.86 0.00 -0.13 0.00 0.00 32.58 32.71 3gnq s HIS 194 CO 0.56 -0.56 2.04 1.05 -2.47 0.00 0.00 174.74 175.36 3gnq h GLU 195 N 3.34 0.48 -5.21 2.88 4.11 -1.97 -3.38 114.58 114.84 3gnq h GLU 195 Ca -0.27 -0.04 -0.62 0.00 0.07 0.00 0.00 59.36 58.49 3gnq h GLU 195 Cb 1.15 -0.10 -0.14 0.00 0.50 0.00 0.00 28.75 30.15 3gnq h GLU 195 CO 0.35 0.35 -0.20 0.34 0.07 0.00 0.00 179.01 179.92 3gnq s ASP 196 N -6.73 6.30 0.55 3.06 -1.08 -1.26 -5.00 116.67 112.51 3gnq s ASP 196 Ca -0.08 0.34 0.33 0.00 -0.52 0.00 0.00 52.55 52.63 3gnq s ASP 196 Cb 0.17 -2.22 1.47 0.00 -1.46 0.00 0.00 42.92 40.88 3gnq s ASP 196 CO 0.73 -0.19 2.03 -0.07 0.52 0.00 0.00 175.17 178.19 3gnq h LEU 197 N 8.54 0.00 0.18 -1.34 4.07 -2.00 -1.84 115.31 122.93 3gnq h LEU 197 Ca -0.32 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.38 3gnq h LEU 197 Cb 1.16 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.93 3gnq h LEU 197 CO 0.66 0.05 -1.15 0.03 -1.08 0.00 0.00 178.44 176.96 3gnq h ARG 198 N 0.00 0.45 0.00 1.13 2.47 -1.94 -3.26 114.38 113.23 3gnq h ARG 198 Ca -0.00 -0.73 0.00 0.00 -1.26 0.00 0.00 59.98 57.99 3gnq h ARG 198 Cb 0.45 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 3gnq h ARG 198 CO 0.01 1.34 0.00 0.54 0.56 0.00 0.00 179.97 182.42 3gnq n ARG 199 N -3.92 0.33 0.00 0.04 1.74 -1.01 -2.19 116.66 111.65 3gnq n ARG 199 Ca -0.15 0.07 0.14 0.00 -0.77 0.00 0.00 57.85 57.14 3gnq n ARG 199 Cb 0.96 -1.50 0.81 0.00 -1.02 0.00 0.00 32.46 31.71 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 -1.28 2.52 -2.75 7.54 0.00 -0.72 -3.94 120.51 121.88 3gnq n ALA 200 Ca 0.11 -0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 3gnq n ALA 200 Cb 0.18 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.13 2.80 -0.29 0.00 1.81 -0.93 -1.53 118.95 118.68 3gnq s ARG 201 Ca 0.39 -0.71 -0.39 0.00 -1.72 0.00 0.00 55.73 53.31 3gnq s ARG 201 Cb 0.19 -2.68 -0.15 0.00 -0.45 0.00 0.00 34.95 31.86 3gnq s ARG 201 CO 0.35 0.57 1.88 0.45 -0.68 0.00 0.00 175.30 177.87 3gnq n SER 202 N 0.60 2.33 0.24 0.23 2.88 -1.26 -4.48 113.62 114.17 3gnq n SER 202 Ca -0.10 0.90 0.16 0.00 -1.33 0.00 0.00 58.87 58.50 3gnq n SER 202 Cb 0.52 -1.17 0.63 0.00 -0.75 0.00 0.00 64.21 63.44 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 8.64 1.00 -0.00 -1.46 0.00 -0.95 -3.11 119.26 123.38 3gnq h ALA 203 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3gnq h ALA 203 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3gnq h ALA 203 CO 0.98 0.00 -0.33 0.25 0.00 0.00 0.00 179.25 180.15 3gnq n THR 204 N -2.91 0.00 0.00 0.00 -2.24 -1.26 -3.80 114.28 104.07 3gnq n THR 204 Ca 0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3gnq n THR 204 Cb 0.30 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3gnq n THR 204 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3gnq n HIS 205 N -1.37 0.00 -4.20 4.78 -0.00 -1.18 -4.78 115.22 108.47 3gnq n HIS 205 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.67 3gnq n HIS 205 Cb 0.33 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.22 3gnq n HIS 205 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 3gnq s SER 206 N -0.88 1.41 -0.07 0.41 0.01 -1.21 -5.05 113.70 108.32 3gnq s SER 206 Ca 0.00 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 55.99 3gnq s SER 206 Cb 0.00 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.25 3gnq s SER 206 CO 0.00 -0.38 1.04 -1.10 0.41 0.00 0.00 173.24 173.20 3gnq s GLN 207 N -3.60 4.44 -0.21 12.44 -0.21 -1.26 -4.27 119.66 127.00 3gnq s GLN 207 Ca 0.12 1.46 -0.00 0.00 0.02 0.00 0.00 55.36 56.96 3gnq s GLN 207 Cb 0.03 -3.52 0.05 0.00 1.00 0.00 0.00 33.01 30.57 3gnq s GLN 207 CO -0.02 -0.27 -0.05 0.42 -2.12 0.00 0.00 175.29 173.25 3gnq s ILE 208 N 1.78 1.30 0.43 1.08 1.01 0.21 -4.94 121.20 122.07 3gnq s ILE 208 Ca 0.51 -0.96 -0.23 0.00 0.00 0.00 0.00 60.65 59.97 3gnq s ILE 208 Cb -0.20 -1.55 -0.09 0.00 0.01 0.00 0.00 42.46 40.62 3gnq s ILE 208 CO 0.21 -0.03 1.04 -2.84 0.00 0.00 0.00 174.94 173.32 3gnq s PRO 209 N 1.52 4.05 -0.04 2.79 0.02 -1.26 0.20 135.00 142.28 3gnq s PRO 209 Ca -0.03 1.44 -0.22 0.00 0.02 0.00 0.00 61.00 62.21 3gnq s PRO 209 Cb -0.17 -2.38 0.05 0.00 0.02 0.00 0.00 34.50 32.01 3gnq s PRO 209 CO -0.07 -0.23 0.49 -0.08 -0.33 0.00 0.00 177.00 176.78 3gnq s THR 210 N -1.79 0.03 0.10 0.99 -1.32 -0.04 -4.82 115.64 108.80 3gnq s THR 210 Ca 0.61 -0.23 -0.30 0.00 -1.21 0.00 0.00 61.69 60.55 3gnq s THR 210 Cb -0.20 -0.80 -0.06 0.00 -1.51 0.00 0.00 72.50 69.94 3gnq s THR 210 CO 0.24 -0.13 1.12 -0.54 -2.21 0.00 0.00 174.62 173.10 3gnq s LYS 211 N -1.19 4.53 -0.00 7.08 1.02 -1.26 -1.99 119.74 127.92 3gnq s LYS 211 Ca -0.12 1.69 0.01 0.00 0.02 0.00 0.00 55.97 57.57 3gnq s LYS 211 Cb -0.03 -3.33 -0.00 0.00 -0.52 0.00 0.00 37.83 33.94 3gnq s LYS 211 CO 0.07 -0.07 -0.04 -0.08 -0.92 0.00 0.00 175.35 174.31 3gnq s THR 212 N 0.47 0.32 -1.00 2.17 -1.32 -1.26 -4.92 115.64 110.09 3gnq s THR 212 Ca 0.53 -0.19 0.15 0.00 -1.21 0.00 0.00 61.69 60.97 3gnq s THR 212 Cb -0.28 -0.28 0.64 0.00 -1.51 0.00 0.00 72.50 71.07 3gnq s THR 212 CO 0.31 0.08 1.52 0.61 -2.21 0.00 0.00 174.62 174.93 3gnq n GLY 213 N 2.94 2.43 0.18 6.08 0.00 -1.26 -4.60 105.19 110.97 3gnq n GLY 213 Ca -0.13 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 3.87 1.09 0.33 4.61 0.00 -1.95 0.30 119.26 127.51 3gnq h ALA 214 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3gnq h ALA 214 Cb 1.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3gnq h ALA 214 CO 0.25 0.51 -0.16 0.00 0.00 0.00 0.00 179.25 179.85 3gnq h ALA 215 N 1.59 -0.45 -0.62 0.00 0.00 -1.90 -3.22 119.26 114.66 3gnq h ALA 215 Ca -0.00 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.84 3gnq h ALA 215 Cb 0.85 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3gnq h ALA 215 CO 0.05 -0.50 0.42 0.00 0.00 0.00 0.00 179.25 179.22 3gnq h ALA 216 N -0.60 2.13 0.00 0.00 0.00 -1.60 -0.19 119.26 118.99 3gnq h ALA 216 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gnq h ALA 216 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gnq h ALA 216 CO 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.04 3gnq n ALA 217 N -2.54 1.37 0.20 0.00 0.00 0.09 -2.01 120.51 117.61 3gnq n ALA 217 Ca 0.11 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.63 3gnq n ALA 217 Cb 0.46 -1.21 0.41 0.00 0.00 0.00 0.00 19.45 19.10 3gnq n ALA 217 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gnq h VAL 218 N 0.00 0.99 -0.53 0.00 2.07 -1.04 -2.60 116.25 115.13 3gnq h VAL 218 Ca 0.00 -1.29 0.07 0.00 0.82 0.00 0.00 66.70 66.29 3gnq h VAL 218 Cb 0.16 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 3gnq h VAL 218 CO 0.00 0.33 0.22 1.23 0.02 0.00 0.00 177.57 179.38 3gnq h GLY 219 N 1.51 0.74 0.82 2.17 0.00 -1.54 0.75 103.07 107.51 3gnq h GLY 219 Ca -0.00 -0.14 0.17 0.00 0.00 0.00 0.00 47.33 47.36 3gnq h GLY 219 CO 0.04 0.04 0.43 1.41 0.00 0.00 0.00 176.54 178.46 3gnq h LEU 220 N 0.43 0.00 0.00 3.11 3.38 -1.63 -2.68 115.31 117.92 3gnq h LEU 220 Ca 0.25 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.94 3gnq h LEU 220 Cb 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3gnq h LEU 220 CO -0.23 0.00 -2.07 1.33 0.09 0.00 0.00 178.44 177.56 3gnq n VAL 221 N -4.32 1.08 -3.85 1.22 0.24 -0.86 -4.73 118.33 107.10 3gnq n VAL 221 Ca 0.11 -0.46 -0.33 0.00 -2.04 0.00 0.00 64.34 61.62 3gnq n VAL 221 Cb 0.66 -1.07 -0.12 0.00 -1.47 0.00 0.00 33.84 31.84 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 -5.93 4.80 0.31 1.34 1.43 0.26 -4.83 118.68 116.06 3gnq s LEU 222 Ca -0.22 -2.78 0.02 0.00 -1.03 0.00 0.00 54.13 50.12 3gnq s LEU 222 Cb 0.06 -1.74 0.58 0.00 0.03 0.00 0.00 46.19 45.12 3gnq s LEU 222 CO 0.47 -0.33 1.92 -0.65 0.23 0.00 0.00 176.35 177.99 3gnq h PRO 223 N 6.95 0.94 0.00 1.29 0.11 -1.69 -1.00 132.00 138.60 3gnq h PRO 223 Ca -0.05 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3gnq h PRO 223 Cb 0.94 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3gnq h PRO 223 CO 0.68 0.62 0.00 -0.85 -0.21 0.00 0.00 178.00 178.24 3gnq n GLU 224 N -4.49 0.11 0.00 1.05 0.00 -1.26 -1.13 120.64 114.91 3gnq n GLU 224 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.29 3gnq n GLU 224 Cb 0.22 -1.03 0.00 0.00 0.00 0.00 0.00 31.44 30.63 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 -0.53 0.41 -4.59 -1.84 4.77 -0.38 -5.07 117.00 109.76 3gnq n LEU 225 Ca 0.00 -0.48 -0.52 0.00 -0.03 0.00 0.00 56.01 54.98 3gnq n LEU 225 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3gnq n LEU 225 CO 0.00 0.10 0.91 -3.20 -1.33 0.00 0.00 177.39 173.87 3gnq n ASN 226 N -0.15 1.65 0.00 -1.43 5.15 -0.29 -1.57 115.26 118.62 3gnq n ASN 226 Ca 0.00 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.10 3gnq n ASN 226 Cb 0.08 -1.19 0.00 0.00 -0.53 0.00 0.00 39.78 38.14 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 2.55 2.41 0.04 8.20 0.00 -1.26 -4.86 105.19 112.27 3gnq n GLY 227 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3gnq n GLY 227 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gnq n LYS 228 N -2.00 0.42 -4.30 1.61 5.02 -0.61 -4.91 118.16 113.38 3gnq n LYS 228 Ca 0.00 -0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 3gnq n LYS 228 Cb 0.00 -1.62 -0.11 0.00 -0.02 0.00 0.00 35.03 33.28 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 -4.32 2.76 0.24 -0.35 1.43 -1.26 -1.49 118.68 115.69 3gnq s LEU 229 Ca 0.01 -0.57 -0.22 0.00 -1.03 0.00 0.00 54.13 52.31 3gnq s LEU 229 Cb 0.13 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.83 3gnq s LEU 229 CO 0.82 0.16 0.77 -0.62 0.23 0.00 0.00 176.35 177.71 3gnq s ASP 230 N -2.32 -0.26 0.00 2.29 2.15 -1.03 -3.62 116.67 113.88 3gnq s ASP 230 Ca 0.20 -0.51 0.00 0.00 0.43 0.00 0.00 52.55 52.66 3gnq s ASP 230 Cb -0.10 0.66 0.00 0.00 -0.30 0.00 0.00 42.92 43.18 3gnq s ASP 230 CO 0.11 -1.21 0.00 0.61 -0.17 0.00 0.00 175.17 174.52 3gnq n GLY 231 N -0.45 -0.64 1.17 2.66 0.00 -1.26 -0.64 105.19 106.03 3gnq n GLY 231 Ca -0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 3.14 -0.95 -4.12 1.61 0.18 -1.00 -4.55 117.16 111.47 3gnq n TYR 232 Ca 0.00 -0.43 -0.15 0.00 1.88 0.00 0.00 57.90 59.20 3gnq n TYR 232 Cb 0.00 0.21 -0.12 0.00 -0.38 0.00 0.00 39.34 39.05 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 -1.32 0.88 -0.23 -3.48 0.00 -0.84 -1.26 121.76 115.50 3gnq s ALA 233 Ca 0.07 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3gnq s ALA 233 Cb -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.13 3gnq s ALA 233 CO 0.02 0.06 -0.11 0.42 0.00 0.00 0.00 175.76 176.15 3gnq s ILE 234 N -1.43 2.43 0.04 0.00 1.09 -0.60 -0.86 121.20 121.87 3gnq s ILE 234 Ca -0.05 -1.20 -0.30 0.00 -1.10 0.00 0.00 60.65 57.99 3gnq s ILE 234 Cb -0.09 -2.24 -0.04 0.00 -1.06 0.00 0.00 42.46 39.02 3gnq s ILE 234 CO 0.01 0.22 1.08 -0.13 -0.10 0.00 0.00 174.94 176.02 3gnq s ARG 235 N 1.24 4.51 0.33 2.79 1.81 0.13 -0.84 118.95 128.92 3gnq s ARG 235 Ca -0.01 1.59 0.07 0.00 -1.72 0.00 0.00 55.73 55.65 3gnq s ARG 235 Cb -0.17 -3.40 -0.06 0.00 -0.45 0.00 0.00 34.95 30.87 3gnq s ARG 235 CO -0.07 -0.13 -0.04 0.14 -0.68 0.00 0.00 175.30 174.52 3gnq s VAL 236 N 0.96 1.80 -1.34 3.52 -7.23 -0.21 -0.62 120.40 117.29 3gnq s VAL 236 Ca 0.55 -2.11 -0.15 0.00 -1.81 0.00 0.00 61.98 58.47 3gnq s VAL 236 Cb -0.25 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 3gnq s VAL 236 CO 0.29 -0.17 2.26 -2.65 -0.31 0.00 0.00 175.10 174.51 3gnq n PRO 237 N -0.73 2.69 -4.09 4.82 -0.02 -1.25 -3.32 135.00 133.11 3gnq n PRO 237 Ca -0.05 -2.38 -0.14 0.00 -2.02 0.00 0.00 63.50 58.91 3gnq n PRO 237 Cb 0.65 -3.14 -0.13 0.00 -0.02 0.00 0.00 33.50 30.85 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 3.40 0.38 0.18 3.45 -4.23 -1.26 -5.02 115.64 112.55 3gnq s THR 238 Ca 0.51 -0.48 0.22 0.00 -1.18 0.00 0.00 61.69 60.76 3gnq s THR 238 Cb 0.14 -0.38 0.19 0.00 1.34 0.00 0.00 72.50 73.79 3gnq s THR 238 CO -0.05 -0.07 1.81 -0.29 -0.54 0.00 0.00 174.62 175.48 3gnq h ILE 239 N 4.86 0.72 -2.56 2.99 2.10 -1.88 -1.55 117.51 122.20 3gnq h ILE 239 Ca -0.30 -1.25 0.10 0.00 1.08 0.00 0.00 64.86 64.49 3gnq h ILE 239 Cb 1.20 1.80 -0.11 0.00 -1.09 0.00 0.00 36.82 38.62 3gnq h ILE 239 CO 0.47 0.28 0.39 0.21 -1.08 0.00 0.00 178.15 178.42 3gnq s ASN 240 N -6.32 -0.32 0.02 2.19 2.47 -1.26 -4.68 114.94 107.03 3gnq s ASN 240 Ca -0.00 -0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.04 3gnq s ASN 240 Cb 0.11 0.52 0.00 0.00 -1.45 0.00 0.00 41.25 40.43 3gnq s ASN 240 CO 0.66 -0.90 0.00 0.52 -3.72 0.00 0.00 177.10 173.66 3gnq n VAL 241 N -0.38 -1.27 -4.23 -5.21 0.31 -1.26 -4.78 118.33 101.51 3gnq n VAL 241 Ca -0.09 0.15 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 3gnq n VAL 241 Cb 0.62 -1.06 -0.10 0.00 -0.91 0.00 0.00 33.84 32.39 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 -1.14 0.84 -0.03 4.52 0.01 0.06 -3.79 113.70 114.17 3gnq s SER 242 Ca 0.00 -1.25 0.03 0.00 1.31 0.00 0.00 55.95 56.04 3gnq s SER 242 Cb 0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 3gnq s SER 242 CO 0.00 -0.68 -0.12 -0.51 0.41 0.00 0.00 173.24 172.34 3gnq s ILE 243 N -3.84 1.05 -0.19 1.44 2.07 0.68 -0.27 121.20 122.13 3gnq s ILE 243 Ca 0.29 -0.51 -0.18 0.00 -1.41 0.00 0.00 60.65 58.84 3gnq s ILE 243 Cb 0.07 -0.92 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 3gnq s ILE 243 CO 0.06 0.32 0.52 -0.69 -1.91 0.00 0.00 174.94 173.24 3gnq s VAL 244 N 0.15 5.11 -0.33 4.00 1.01 -0.31 -0.41 120.40 129.61 3gnq s VAL 244 Ca -0.04 0.96 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 3gnq s VAL 244 Cb -0.10 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.50 3gnq s VAL 244 CO 0.01 0.18 0.06 -0.62 0.00 0.00 0.00 175.10 174.74 3gnq s ASP 245 N 1.12 5.01 -0.21 3.32 -1.08 0.71 -1.46 116.67 124.08 3gnq s ASP 245 Ca 0.24 -1.51 -0.02 0.00 -0.52 0.00 0.00 52.55 50.74 3gnq s ASP 245 Cb -0.15 -1.75 -0.00 0.00 -1.46 0.00 0.00 42.92 39.55 3gnq s ASP 245 CO 0.10 -0.35 -0.09 -0.22 0.52 0.00 0.00 175.17 175.14 3gnq s LEU 246 N 1.22 2.70 0.08 -1.34 2.96 0.51 -0.42 118.68 124.38 3gnq s LEU 246 Ca -0.01 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.41 3gnq s LEU 246 Cb -0.20 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 3gnq s LEU 246 CO -0.02 -0.01 0.30 -0.44 -1.32 0.00 0.00 176.35 174.86 3gnq s SER 247 N 1.38 6.46 0.04 3.68 0.01 -0.32 -1.20 113.70 123.74 3gnq s SER 247 Ca 0.05 0.49 -0.27 0.00 1.31 0.00 0.00 55.95 57.53 3gnq s SER 247 Cb -0.14 -2.05 0.08 0.00 0.21 0.00 0.00 66.02 64.12 3gnq s SER 247 CO -0.05 0.15 0.73 0.72 0.41 0.00 0.00 173.24 175.19 3gnq s PHE 248 N -1.50 -0.50 -0.28 2.43 -0.12 -0.45 -1.36 117.98 116.19 3gnq s PHE 248 Ca 0.35 0.53 -0.17 0.00 -0.05 0.00 0.00 56.93 57.58 3gnq s PHE 248 Cb -0.13 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 3gnq s PHE 248 CO 0.23 -0.67 0.49 0.42 -0.05 0.00 0.00 175.22 175.64 3gnq s ILE 249 N -2.71 5.08 0.45 -4.49 -1.09 -0.12 -1.06 121.20 117.26 3gnq s ILE 249 Ca -0.01 0.74 -0.21 0.00 -2.23 0.00 0.00 60.65 58.94 3gnq s ILE 249 Cb -0.01 -3.82 -0.10 0.00 -1.58 0.00 0.00 42.46 36.95 3gnq s ILE 249 CO -0.05 0.05 0.99 0.00 -1.23 0.00 0.00 174.94 174.71 3gnq s ALA 250 N 2.28 2.98 -1.09 9.38 0.00 0.11 -0.82 121.76 134.60 3gnq s ALA 250 Ca 0.20 0.52 0.27 0.00 0.00 0.00 0.00 51.96 52.94 3gnq s ALA 250 Cb -0.16 -3.20 1.20 0.00 0.00 0.00 0.00 23.12 20.96 3gnq s ALA 250 CO 0.10 -0.08 1.88 1.63 0.00 0.00 0.00 175.76 179.29 3gnq n LYS 251 N -0.67 0.08 -3.93 0.00 5.02 -0.29 -4.81 118.16 113.57 3gnq n LYS 251 Ca 0.08 0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.30 3gnq n LYS 251 Cb 0.53 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 3gnq n LYS 251 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3gnq s ARG 252 N -2.91 1.17 0.34 1.97 1.70 -1.26 -5.06 118.95 114.90 3gnq s ARG 252 Ca 0.16 -1.12 -0.27 0.00 -0.47 0.00 0.00 55.73 54.02 3gnq s ARG 252 Cb 0.18 0.40 -0.12 0.00 -0.57 0.00 0.00 34.95 34.83 3gnq s ARG 252 CO 0.48 -0.44 1.20 -0.25 -1.08 0.00 0.00 175.30 175.21 3gnq n ASP 253 N -0.23 2.30 -1.95 -2.89 8.00 -1.26 -4.90 116.55 115.62 3gnq n ASP 253 Ca -0.08 1.18 -0.06 0.00 0.71 0.00 0.00 54.79 56.54 3gnq n ASP 253 Cb 0.63 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 3gnq n ASP 253 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3gnq n THR 254 N 0.19 0.00 -4.10 -3.53 5.66 -1.26 -5.13 114.28 106.11 3gnq n THR 254 Ca 0.06 -0.65 -0.09 0.00 -3.05 0.00 0.00 64.05 60.32 3gnq n THR 254 Cb 0.36 0.52 -0.10 0.00 -1.55 0.00 0.00 70.33 69.56 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 -2.58 0.42 0.21 1.09 -4.23 -1.26 -4.85 115.64 104.44 3gnq s THR 255 Ca 0.10 -1.65 -0.14 0.00 -1.18 0.00 0.00 61.69 58.83 3gnq s THR 255 Cb -0.02 -1.30 0.23 0.00 1.34 0.00 0.00 72.50 72.75 3gnq s THR 255 CO 0.08 -0.81 1.63 0.00 -0.54 0.00 0.00 174.62 174.97 3gnq h ALA 256 N 3.45 0.41 -0.68 3.99 0.00 -1.93 -1.95 119.26 122.54 3gnq h ALA 256 Ca -0.34 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3gnq h ALA 256 Cb 1.17 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 3gnq h ALA 256 CO 0.59 -0.43 0.34 0.00 0.00 0.00 0.00 179.25 179.75 3gnq h ALA 257 N 1.62 1.31 -0.05 0.00 0.00 -1.97 -2.51 119.26 117.66 3gnq h ALA 257 Ca 0.30 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3gnq h ALA 257 Cb 0.46 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gnq h ALA 257 CO -0.65 0.54 -0.25 1.49 0.00 0.00 0.00 179.25 180.39 3gnq h GLU 258 N 0.96 0.26 -0.61 0.00 4.81 -1.87 -0.86 114.58 117.29 3gnq h GLU 258 Ca 0.24 -0.21 0.12 0.00 -0.13 0.00 0.00 59.36 59.38 3gnq h GLU 258 Cb 0.08 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 29.39 3gnq h GLU 258 CO -0.03 0.86 -0.12 0.28 -0.73 0.00 0.00 179.01 179.26 3gnq h VAL 259 N -0.27 0.41 -0.34 0.32 2.07 -1.33 0.54 116.25 117.66 3gnq h VAL 259 Ca -0.02 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3gnq h VAL 259 Cb 0.90 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3gnq h VAL 259 CO 0.05 0.00 0.09 0.78 0.02 0.00 0.00 177.57 178.51 3gnq h ASN 260 N 0.02 0.51 -0.70 0.57 2.35 -1.41 -1.62 115.58 115.30 3gnq h ASN 260 Ca 0.30 -0.23 0.08 0.00 -0.55 0.00 0.00 56.30 55.90 3gnq h ASN 260 Cb 0.46 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 3gnq h ASN 260 CO -0.61 0.61 0.38 0.00 -1.65 0.00 0.00 177.43 176.16 3gnq h ALA 261 N 0.92 0.96 -0.61 -0.83 0.00 -0.45 0.12 119.26 119.38 3gnq h ALA 261 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gnq h ALA 261 Cb 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3gnq h ALA 261 CO 0.00 0.02 0.40 0.82 0.00 0.00 0.00 179.25 180.49 3gnq h ILE 262 N 0.67 1.16 -0.21 0.00 2.04 -0.64 -1.84 117.51 118.70 3gnq h ILE 262 Ca 0.33 -0.30 -0.17 0.00 1.00 0.00 0.00 64.86 65.72 3gnq h ILE 262 Cb 0.28 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3gnq h ILE 262 CO -0.22 0.16 -0.56 0.24 0.00 0.00 0.00 178.15 177.77 3gnq h MET 263 N 0.82 0.63 -0.28 2.37 2.86 -0.34 -1.21 114.93 119.78 3gnq h MET 263 Ca 0.22 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3gnq h MET 263 Cb -0.09 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 3gnq h MET 263 CO -0.05 1.02 0.17 -0.22 1.06 0.00 0.00 176.91 178.89 3gnq h LYS 264 N 0.48 0.38 0.05 1.72 3.64 -0.62 -0.62 116.57 121.61 3gnq h LYS 264 Ca 0.01 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3gnq h LYS 264 Cb 1.12 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3gnq h LYS 264 CO 0.11 0.29 -0.03 1.49 -2.27 0.00 0.00 179.45 179.04 3gnq h GLU 265 N 0.37 -0.07 -0.70 1.90 4.57 -1.22 -0.07 114.58 119.36 3gnq h GLU 265 Ca 0.10 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.40 3gnq h GLU 265 Cb -0.00 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.52 3gnq h GLU 265 CO -0.02 -0.03 0.29 0.00 -1.18 0.00 0.00 179.01 178.07 3gnq h ALA 266 N 0.86 0.95 -0.02 2.92 0.00 -1.08 -0.63 119.26 122.26 3gnq h ALA 266 Ca -0.01 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3gnq h ALA 266 Cb 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gnq h ALA 266 CO 0.01 -0.17 -0.38 0.66 0.00 0.00 0.00 179.25 179.37 3gnq h SER 267 N 0.47 0.05 0.83 0.00 4.64 -0.39 -2.72 113.55 116.43 3gnq h SER 267 Ca 0.37 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3gnq h SER 267 Cb 0.49 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3gnq h SER 267 CO -0.34 0.43 -0.43 -0.62 -0.87 0.00 0.00 176.83 175.00 3gnq n GLU 268 N -4.07 0.15 0.00 4.77 1.02 -0.10 -3.25 120.64 119.16 3gnq n GLU 268 Ca -0.02 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3gnq n GLU 268 Cb 0.43 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3gnq n GLU 268 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gnq n GLY 269 N 1.41 1.01 0.23 0.62 0.00 -0.36 -4.78 105.19 103.31 3gnq n GLY 269 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 0.71 0.75 -0.52 4.61 0.00 -1.80 -2.84 119.26 120.16 3gnq h ALA 270 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gnq h ALA 270 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gnq h ALA 270 CO 0.00 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3gnq n LEU 271 N -4.87 5.38 -4.64 0.00 4.77 -1.05 -4.99 117.00 111.59 3gnq n LEU 271 Ca 0.06 -2.93 -0.47 0.00 -0.03 0.00 0.00 56.01 52.65 3gnq n LEU 271 Cb 0.17 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 3gnq n LEU 271 CO 0.28 0.65 1.01 1.17 -1.33 0.00 0.00 177.39 179.17 3gnq n LYS 272 N 0.45 1.81 0.00 3.23 4.81 -1.07 -0.45 118.16 126.93 3gnq n LYS 272 Ca 0.27 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 3gnq n LYS 272 Cb 1.13 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.87 3gnq n LYS 272 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gnq n GLY 273 N 2.59 2.50 0.15 3.14 0.00 -1.26 -4.70 105.19 107.62 3gnq n GLY 273 Ca 0.15 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 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 1.40 -3.31 -0.61 5.03 -1.71 -3.40 117.51 114.91 3gnq h ILE 274 Ca 0.00 -2.00 -0.66 0.00 -0.12 0.00 0.00 64.86 62.08 3gnq h ILE 274 Cb 0.00 2.44 -0.30 0.00 -3.03 0.00 0.00 36.82 35.94 3gnq h ILE 274 CO 0.00 0.59 -0.80 -0.22 -0.68 0.00 0.00 178.15 177.03 3gnq s LEU 275 N -8.41 2.49 0.53 1.44 2.96 0.40 -1.43 118.68 116.66 3gnq s LEU 275 Ca -0.13 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 3gnq s LEU 275 Cb 0.04 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.20 3gnq s LEU 275 CO 0.83 0.13 0.27 -0.83 -1.32 0.00 0.00 176.35 175.43 3gnq s GLY 276 N 0.54 2.57 -0.08 7.98 0.00 0.07 -4.53 107.32 113.86 3gnq s GLY 276 Ca -0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 43.56 3gnq s GLY 276 CO 0.04 -2.02 0.18 -0.47 0.00 0.00 0.00 173.10 170.83 3gnq s TYR 277 N -2.79 -0.22 -0.07 1.90 5.04 -1.26 -1.60 117.35 118.34 3gnq s TYR 277 Ca 0.26 0.61 0.05 0.00 -2.44 0.00 0.00 57.07 55.55 3gnq s TYR 277 Cb -0.01 -0.09 -0.00 0.00 0.35 0.00 0.00 41.96 42.21 3gnq s TYR 277 CO 0.16 -0.22 -0.23 1.21 -1.34 0.00 0.00 175.55 175.13 3gnq s ASN 278 N 1.51 2.87 0.00 4.32 2.47 0.01 -4.94 114.94 121.18 3gnq s ASN 278 Ca -0.06 -0.49 0.01 0.00 0.42 0.00 0.00 52.86 52.74 3gnq s ASN 278 Cb -0.11 -0.99 0.01 0.00 -1.45 0.00 0.00 41.25 38.71 3gnq s ASN 278 CO -0.07 0.19 0.56 -0.62 -3.72 0.00 0.00 177.10 173.45 3gnq n GLU 279 N 3.21 -0.60 -3.26 0.43 1.02 -1.26 -1.67 120.64 118.50 3gnq n GLU 279 Ca -0.18 -0.62 -0.33 0.00 -0.02 0.00 0.00 57.16 56.00 3gnq n GLU 279 Cb 0.52 -1.02 -0.06 0.00 -0.02 0.00 0.00 31.44 30.87 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 -0.14 3.46 -1.14 0.62 0.00 -1.26 -4.82 121.76 118.48 3gnq s ALA 280 Ca 0.01 -0.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.71 3gnq s ALA 280 Cb 0.01 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 3gnq s ALA 280 CO 0.01 0.41 2.06 -0.35 0.00 0.00 0.00 175.76 177.90 3gnq n PRO 281 N 0.08 2.22 -3.12 0.00 -0.04 -1.26 -4.92 135.00 127.96 3gnq n PRO 281 Ca 0.00 -2.29 -0.20 0.00 -0.04 0.00 0.00 63.50 60.97 3gnq n PRO 281 Cb 0.52 -3.15 0.01 0.00 -0.04 0.00 0.00 33.50 30.84 3gnq n PRO 281 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gnq s LEU 282 N 2.15 3.72 0.41 1.53 1.43 -1.26 -5.12 118.68 121.52 3gnq s LEU 282 Ca 0.53 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 3gnq s LEU 282 Cb 0.13 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 3gnq s LEU 282 CO 0.02 -0.68 0.06 0.68 0.23 0.00 0.00 176.35 176.65 3gnq s VAL 283 N -2.39 1.13 0.39 -1.59 -7.23 -1.26 -5.05 120.40 104.40 3gnq s VAL 283 Ca 0.50 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.75 3gnq s VAL 283 Cb -0.10 -2.54 0.29 0.00 0.56 0.00 0.00 36.38 34.59 3gnq s VAL 283 CO 0.34 0.00 2.00 0.77 -0.31 0.00 0.00 175.10 177.91 3gnq h SER 284 N 1.78 0.54 1.08 4.85 4.64 -1.99 -1.03 113.55 123.42 3gnq h SER 284 Ca -0.40 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3gnq h SER 284 Cb 1.27 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3gnq h SER 284 CO 0.69 0.37 0.00 0.00 -0.87 0.00 0.00 176.83 177.01 3gnq n ILE 285 N -4.47 0.72 0.31 0.95 3.06 -1.26 -1.83 119.36 116.84 3gnq n ILE 285 Ca 0.07 -0.01 0.15 0.00 -2.50 0.00 0.00 62.75 60.46 3gnq n ILE 285 Cb 0.17 -0.89 0.68 0.00 0.54 0.00 0.00 39.64 40.15 3gnq n ILE 285 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 3gnq h ASP 286 N 0.00 0.00 -0.16 9.51 3.45 -1.59 -2.72 116.42 124.91 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 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 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 -2.65 0.19 -1.77 4.55 3.72 -0.76 -4.91 117.46 115.83 3gnq n PHE 287 Ca 0.00 -0.10 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 3gnq n PHE 287 Cb 0.20 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.64 6.40 -0.48 4.37 2.47 -1.03 -2.09 114.94 122.95 3gnq s ASN 288 Ca 0.29 2.86 0.00 0.00 0.42 0.00 0.00 52.86 56.43 3gnq s ASN 288 Cb 0.19 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 3gnq s ASN 288 CO 0.28 -0.94 0.00 1.57 -3.72 0.00 0.00 177.10 174.29 3gnq n HIS 289 N 3.58 0.00 -3.02 0.43 -0.00 -1.26 -5.01 115.22 109.94 3gnq n HIS 289 Ca 0.14 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.91 3gnq n HIS 289 Cb 0.36 -1.21 -0.06 0.00 -0.12 0.00 0.00 29.99 28.97 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 6.63 0.00 0.26 3.84 -0.89 -4.96 114.94 117.24 3gnq s ASN 290 Ca 0.00 0.69 0.22 0.00 0.21 0.00 0.00 52.86 53.97 3gnq s ASN 290 Cb 0.00 -2.37 1.28 0.00 -0.55 0.00 0.00 41.25 39.61 3gnq s ASN 290 CO 0.00 -0.49 1.69 -0.81 -2.79 0.00 0.00 177.10 174.70 3gnq n PRO 291 N 5.95 0.75 -2.20 0.43 -0.04 -1.26 -3.97 135.00 134.66 3gnq n PRO 291 Ca 0.02 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.11 3gnq n PRO 291 Cb 0.48 -1.45 0.00 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 s ALA 292 N -2.00 2.85 0.23 0.55 0.00 -1.26 -4.35 121.76 117.78 3gnq s ALA 292 Ca 0.32 0.94 0.04 0.00 0.00 0.00 0.00 51.96 53.26 3gnq s ALA 292 Cb 0.15 -3.40 0.23 0.00 0.00 0.00 0.00 23.12 20.10 3gnq s ALA 292 CO 0.25 -0.79 1.55 0.77 0.00 0.00 0.00 175.76 177.54 3gnq h SER 293 N 1.67 0.30 -3.03 0.00 0.02 -1.49 -3.39 113.55 107.62 3gnq h SER 293 Ca -0.50 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.17 3gnq h SER 293 Cb 1.26 -0.09 -0.27 0.00 0.14 0.00 0.00 62.40 63.45 3gnq h SER 293 CO 0.59 0.83 -0.32 -0.55 -1.14 0.00 0.00 176.83 176.24 3gnq s SER 294 N -6.90 -0.43 -0.31 3.07 0.15 -1.09 -3.62 113.70 104.56 3gnq s SER 294 Ca -0.04 0.91 0.03 0.00 0.70 0.00 0.00 55.95 57.55 3gnq s SER 294 Cb 0.12 0.92 0.08 0.00 -1.71 0.00 0.00 66.02 65.43 3gnq s SER 294 CO 0.80 -0.20 -0.00 -0.89 1.20 0.00 0.00 173.24 174.14 3gnq s THR 295 N 1.73 2.28 0.33 6.45 2.01 -0.09 -0.75 115.64 127.61 3gnq s THR 295 Ca -0.07 -2.07 -0.29 0.00 0.31 0.00 0.00 61.69 59.57 3gnq s THR 295 Cb -0.09 -2.56 -0.11 0.00 0.01 0.00 0.00 72.50 69.75 3gnq s THR 295 CO -0.13 -0.39 1.39 0.12 -0.69 0.00 0.00 174.62 174.93 3gnq s PHE 296 N 0.99 2.88 -0.43 4.92 5.36 -0.63 -0.29 117.98 130.78 3gnq s PHE 296 Ca 0.03 1.26 -0.02 0.00 -0.96 0.00 0.00 56.93 57.24 3gnq s PHE 296 Cb -0.19 -3.82 0.12 0.00 -0.34 0.00 0.00 43.02 38.78 3gnq s PHE 296 CO -0.07 -2.40 0.22 0.34 -1.46 0.00 0.00 175.22 171.86 3gnq s ASP 297 N -0.22 5.18 0.56 6.13 -1.08 -0.45 -0.81 116.67 125.98 3gnq s ASP 297 Ca 0.52 -2.19 0.25 0.00 -0.52 0.00 0.00 52.55 50.61 3gnq s ASP 297 Cb -0.42 -1.81 1.60 0.00 -1.46 0.00 0.00 42.92 40.83 3gnq s ASP 297 CO 0.55 -0.50 2.19 0.00 0.52 0.00 0.00 175.17 177.93 3gnq h ALA 298 N 7.82 1.76 0.00 3.66 0.00 -1.62 -1.59 119.26 129.28 3gnq h ALA 298 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gnq h ALA 298 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3gnq h ALA 298 CO 0.68 -0.06 0.00 1.79 0.00 0.00 0.00 179.25 181.66 3gnq h THR 299 N 0.00 0.00 -0.01 0.00 1.35 -1.88 -3.07 112.91 109.30 3gnq h THR 299 Ca 0.02 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3gnq h THR 299 Cb 0.10 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3gnq h THR 299 CO -0.00 0.00 -0.64 0.18 -0.25 0.00 0.00 175.52 174.81 3gnq n LEU 300 N -2.43 1.24 -4.68 3.87 4.77 -0.60 -4.98 117.00 114.18 3gnq n LEU 300 Ca 0.02 -0.61 -0.45 0.00 -0.03 0.00 0.00 56.01 54.94 3gnq n LEU 300 Cb 0.28 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 3gnq n LEU 300 CO 0.23 0.26 1.39 0.41 -1.33 0.00 0.00 177.39 178.35 3gnq n THR 301 N -0.84 0.28 -5.08 -5.08 -1.04 -1.16 -4.81 114.28 96.55 3gnq n THR 301 Ca 0.05 -0.05 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 3gnq n THR 301 Cb 0.32 -1.88 -0.16 0.00 -1.82 0.00 0.00 70.33 66.79 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 2.40 1.92 -0.04 -2.82 3.01 -0.37 -4.96 119.74 118.88 3gnq s LYS 302 Ca 0.83 -0.78 0.00 0.00 -1.01 0.00 0.00 55.97 55.01 3gnq s LYS 302 Cb -0.59 -1.78 0.03 0.00 -1.01 0.00 0.00 37.83 34.48 3gnq s LYS 302 CO 0.40 0.42 -0.01 0.54 0.51 0.00 0.00 175.35 177.22 3gnq s VAL 303 N -0.37 0.31 -0.40 3.17 0.11 -1.26 -0.15 120.40 121.81 3gnq s VAL 303 Ca 0.05 0.03 0.09 0.00 -2.93 0.00 0.00 61.98 59.22 3gnq s VAL 303 Cb -0.10 -0.40 0.43 0.00 -1.53 0.00 0.00 36.38 34.78 3gnq s VAL 303 CO 0.00 0.19 1.06 -0.24 -3.33 0.00 0.00 175.10 172.78 3gnq n SER 304 N 4.28 3.69 0.00 3.54 2.88 -0.40 -4.80 113.62 122.81 3gnq n SER 304 Ca -0.23 -3.41 0.00 0.00 -1.33 0.00 0.00 58.87 53.91 3gnq n SER 304 Cb 0.50 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 3gnq n SER 304 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gnq n GLY 305 N -0.35 0.39 0.24 0.46 0.00 -1.26 -4.41 105.19 100.27 3gnq n GLY 305 Ca 0.30 -1.29 0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 0.80 -3.09 1.61 5.12 -1.26 -4.33 116.66 115.50 3gnq n ARG 306 Ca 0.00 -0.48 -0.41 0.00 -1.93 0.00 0.00 57.85 55.03 3gnq n ARG 306 Cb 0.00 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 29.75 3gnq n ARG 306 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3gnq s LEU 307 N -2.53 4.07 -0.12 0.55 2.96 -1.26 0.06 118.68 122.41 3gnq s LEU 307 Ca 0.23 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.87 3gnq s LEU 307 Cb 0.19 -2.88 0.01 0.00 0.50 0.00 0.00 46.19 44.01 3gnq s LEU 307 CO 0.53 -0.40 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.25 3gnq s VAL 308 N 2.55 2.08 -0.24 1.68 1.01 -0.22 -1.27 120.40 125.99 3gnq s VAL 308 Ca 0.27 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 3gnq s VAL 308 Cb -0.15 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3gnq s VAL 308 CO 0.09 0.55 0.05 -0.75 0.00 0.00 0.00 175.10 175.04 3gnq s LYS 309 N 0.60 3.64 0.11 2.72 2.20 0.79 -1.34 119.74 128.46 3gnq s LYS 309 Ca -0.12 -0.49 0.07 0.00 -0.36 0.00 0.00 55.97 55.07 3gnq s LYS 309 Cb -0.17 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 3gnq s LYS 309 CO 0.03 -0.14 -0.18 0.14 -0.36 0.00 0.00 175.35 174.84 3gnq s VAL 310 N 1.46 1.51 0.03 4.02 -7.23 -0.34 -1.23 120.40 118.61 3gnq s VAL 310 Ca 0.05 -1.56 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 3gnq s VAL 310 Cb -0.15 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 3gnq s VAL 310 CO 0.03 -0.19 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.13 3gnq s SER 311 N -2.04 0.63 -0.07 4.85 0.01 -1.26 -0.36 113.70 115.45 3gnq s SER 311 Ca 0.06 -0.41 -0.04 0.00 1.31 0.00 0.00 55.95 56.87 3gnq s SER 311 Cb -0.09 0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.20 3gnq s SER 311 CO 0.04 -0.15 0.17 -0.55 0.41 0.00 0.00 173.24 173.15 3gnq s SER 312 N -1.15 -0.15 0.25 2.44 0.15 -0.54 -1.34 113.70 113.36 3gnq s SER 312 Ca -0.08 0.34 -0.20 0.00 0.70 0.00 0.00 55.95 56.71 3gnq s SER 312 Cb -0.08 0.27 -0.09 0.00 -1.71 0.00 0.00 66.02 64.41 3gnq s SER 312 CO -0.00 -0.12 0.76 0.26 1.20 0.00 0.00 173.24 175.34 3gnq s TRP 313 N 0.83 3.61 -0.12 3.44 0.52 0.61 -1.17 118.94 126.66 3gnq s TRP 313 Ca -0.06 1.43 -0.06 0.00 0.02 0.00 0.00 56.10 57.44 3gnq s TRP 313 Cb -0.08 -2.66 0.05 0.00 -1.15 0.00 0.00 33.47 29.63 3gnq s TRP 313 CO -0.04 0.28 0.26 1.52 0.02 0.00 0.00 176.95 178.99 3gnq s TYR 314 N -1.61 -0.37 -0.56 -1.98 -0.85 0.62 -0.91 117.35 111.69 3gnq s TYR 314 Ca 0.46 0.86 -0.27 0.00 -0.52 0.00 0.00 57.07 57.60 3gnq s TYR 314 Cb -0.16 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.22 3gnq s TYR 314 CO 0.21 -0.26 1.81 0.34 -1.52 0.00 0.00 175.55 176.12 3gnq s ASP 315 N 1.46 5.44 0.51 -0.18 3.68 -1.26 -0.76 116.67 125.56 3gnq s ASP 315 Ca -0.08 0.48 0.34 0.00 2.13 0.00 0.00 52.55 55.43 3gnq s ASP 315 Cb -0.10 -2.53 1.85 0.00 -1.45 0.00 0.00 42.92 40.68 3gnq s ASP 315 CO -0.09 -2.21 2.05 -0.55 0.13 0.00 0.00 175.17 174.50 3gnq h ASN 316 N 14.28 0.00 0.00 -0.34 -1.07 -1.91 -2.73 115.58 123.80 3gnq h ASN 316 Ca -0.27 0.00 -0.39 0.00 0.07 0.00 0.00 56.30 55.71 3gnq h ASN 316 Cb 1.16 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 37.35 3gnq h ASN 316 CO 1.19 0.00 -2.21 -0.62 0.07 0.00 0.00 177.43 175.86 3gnq n GLU 317 N -2.72 0.58 0.03 4.14 1.02 -1.26 -4.46 120.64 117.97 3gnq n GLU 317 Ca -0.02 0.31 -0.19 0.00 -0.02 0.00 0.00 57.16 57.24 3gnq n GLU 317 Cb 0.07 -1.53 -0.14 0.00 -0.02 0.00 0.00 31.44 29.82 3gnq n GLU 317 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3gnq h TRP 318 N -1.00 0.47 0.12 -0.32 2.91 -1.87 -1.56 115.95 114.70 3gnq h TRP 318 Ca -0.59 -0.34 0.02 0.00 1.13 0.00 0.00 58.89 59.12 3gnq h TRP 318 Cb 1.51 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 30.10 3gnq h TRP 318 CO -0.09 1.25 -0.31 0.78 -1.03 0.00 0.00 178.44 179.05 3gnq h GLY 319 N -0.44 -0.58 1.00 2.65 0.00 -1.61 -1.32 103.07 102.77 3gnq h GLY 319 Ca -0.12 0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.60 3gnq h GLY 319 CO 0.13 -0.24 0.63 -2.75 0.00 0.00 0.00 176.54 174.31 3gnq h PHE 320 N -0.53 1.19 -0.44 5.60 3.57 -1.72 -1.18 116.94 123.42 3gnq h PHE 320 Ca 0.03 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3gnq h PHE 320 Cb 0.56 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3gnq h PHE 320 CO -0.27 0.72 0.04 0.77 -2.23 0.00 0.00 178.31 177.34 3gnq h SER 321 N 1.26 0.73 -0.29 0.41 0.02 -1.13 -1.73 113.55 112.82 3gnq h SER 321 Ca 0.36 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3gnq h SER 321 Cb -0.08 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 3gnq h SER 321 CO -0.09 0.83 0.17 0.78 -1.14 0.00 0.00 176.83 177.38 3gnq h ASN 322 N 0.61 0.29 -0.68 3.07 2.35 -0.76 -2.48 115.58 117.98 3gnq h ASN 322 Ca 0.13 -0.00 0.13 0.00 -0.55 0.00 0.00 56.30 56.01 3gnq h ASN 322 Cb 0.43 -0.06 -0.09 0.00 0.05 0.00 0.00 38.32 38.65 3gnq h ASN 322 CO 0.01 0.21 0.22 0.03 -1.65 0.00 0.00 177.43 176.26 3gnq h ARG 323 N 0.36 0.36 -0.97 0.81 2.47 -1.07 -0.60 114.38 115.73 3gnq h ARG 323 Ca 0.11 -0.02 0.22 0.00 -1.26 0.00 0.00 59.98 59.03 3gnq h ARG 323 Cb -0.01 -0.08 -0.08 0.00 -1.65 0.00 0.00 29.97 28.15 3gnq h ARG 323 CO -0.05 0.24 0.63 0.52 0.56 0.00 0.00 179.97 181.87 3gnq h MET 324 N 0.37 0.46 -0.14 0.04 2.86 -0.83 0.11 114.93 117.78 3gnq h MET 324 Ca 0.37 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.80 3gnq h MET 324 Cb 0.54 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.10 3gnq h MET 324 CO -0.40 0.30 -0.62 -0.07 1.06 0.00 0.00 176.91 177.19 3gnq h LEU 325 N 0.47 0.79 -0.57 1.22 3.38 -1.06 -2.69 115.31 116.85 3gnq h LEU 325 Ca 0.53 -0.62 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3gnq h LEU 325 Cb 1.23 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 3gnq h LEU 325 CO -0.25 1.28 0.35 0.44 0.09 0.00 0.00 178.44 180.36 3gnq h ASP 326 N 0.35 0.58 0.02 -0.43 3.32 -0.46 -3.07 116.42 116.74 3gnq h ASP 326 Ca -0.04 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3gnq h ASP 326 Cb 1.25 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3gnq h ASP 326 CO 0.13 0.41 -0.01 0.74 -1.72 0.00 0.00 179.24 178.78 3gnq h THR 327 N 0.70 1.27 -1.01 0.35 2.02 -0.98 -3.09 112.91 112.17 3gnq h THR 327 Ca 0.23 -0.92 0.30 0.00 0.77 0.00 0.00 66.41 66.78 3gnq h THR 327 Cb 0.00 1.88 -0.14 0.00 -1.74 0.00 0.00 68.15 68.16 3gnq h THR 327 CO -0.09 0.23 0.59 0.00 0.37 0.00 0.00 175.52 176.62 3gnq h ALA 328 N 0.53 1.93 0.00 6.16 0.00 -1.45 0.27 119.26 126.70 3gnq h ALA 328 Ca -0.00 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3gnq h ALA 328 Cb 0.41 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3gnq h ALA 328 CO 0.01 -0.49 -0.51 0.82 0.00 0.00 0.00 179.25 179.08 3gnq h ILE 329 N 0.41 1.12 0.04 0.00 1.08 -1.52 -1.44 117.51 117.20 3gnq h ILE 329 Ca 0.70 -1.90 -0.07 0.00 -0.39 0.00 0.00 64.86 63.20 3gnq h ILE 329 Cb 1.53 2.10 0.01 0.00 -3.07 0.00 0.00 36.82 37.39 3gnq h ILE 329 CO -0.55 0.50 -0.31 0.00 -0.69 0.00 0.00 178.15 177.10 3gnq h ALA 330 N 1.49 -0.01 -0.71 1.87 0.00 -0.60 -3.03 119.26 118.27 3gnq h ALA 330 Ca -0.01 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.38 3gnq h ALA 330 Cb 1.06 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3gnq h ALA 330 CO 0.07 0.13 0.47 1.25 0.00 0.00 0.00 179.25 181.17 3gnq h LEU 331 N -0.64 0.80 -0.12 0.00 5.85 -0.61 -2.47 115.31 118.12 3gnq h LEU 331 Ca -0.05 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3gnq h LEU 331 Cb 1.17 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 3gnq h LEU 331 CO 0.06 0.57 -0.09 0.00 -0.34 0.00 0.00 178.44 178.64 3gnq h ALA 332 N 1.56 0.18 -0.53 1.25 0.00 -1.39 -3.23 119.26 117.10 3gnq h ALA 332 Ca 0.26 -0.29 -0.36 0.00 0.00 0.00 0.00 54.91 54.53 3gnq h ALA 332 Cb -0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.52 3gnq h ALA 332 CO -0.06 0.00 0.46 0.09 0.00 0.00 0.00 179.25 179.74 3gnq n ASN 333 N -4.64 6.47 -4.65 0.00 3.02 -1.07 -4.95 115.26 109.43 3gnq n ASN 333 Ca -0.06 -3.13 -0.43 0.00 -0.03 0.00 0.00 54.58 50.93 3gnq n ASN 333 Cb 0.32 -1.03 -0.02 0.00 -0.61 0.00 0.00 39.78 38.43 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 -2.02 3.59 0.00 5.41 0.00 -0.95 -4.95 121.76 122.83 3gnq s ALA 334 Ca 0.34 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3gnq s ALA 334 Cb 0.27 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3gnq s ALA 334 CO -0.00 -1.35 0.00 1.63 0.00 0.00 0.00 175.76 176.04