#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxf s GLN 8 N 0.00 3.80 0.12 3.69 -1.52 -1.26 -5.05 119.66 119.44 2qxf s GLN 8 Ca 0.00 0.28 -0.31 0.00 -1.95 0.00 0.00 55.36 53.38 2qxf s GLN 8 Cb 0.00 -2.63 -0.08 0.00 -0.22 0.00 0.00 33.01 30.08 2qxf s GLN 8 CO 0.00 0.30 1.35 -1.12 -0.25 0.00 0.00 175.29 175.57 2qxf s SER 9 N -2.41 6.87 0.19 5.90 0.01 -1.26 -4.80 113.70 118.21 2qxf s SER 9 Ca 0.48 2.29 0.03 0.00 1.31 0.00 0.00 55.95 60.06 2qxf s SER 9 Cb -0.11 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 2qxf s SER 9 CO 0.22 -0.61 -0.03 0.42 0.41 0.00 0.00 173.24 173.65 2qxf s THR 10 N 0.96 0.99 -0.08 1.44 -4.23 -0.48 -3.37 115.64 110.87 2qxf s THR 10 Ca 0.63 -2.03 -0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2qxf s THR 10 Cb -0.36 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 2qxf s THR 10 CO 0.31 -0.48 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.48 2qxf s PHE 11 N -3.45 2.96 -0.35 3.99 0.08 -0.49 -0.94 117.98 119.78 2qxf s PHE 11 Ca 0.24 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.26 2qxf s PHE 11 Cb 0.05 -1.76 0.09 0.00 -0.57 0.00 0.00 43.02 40.84 2qxf s PHE 11 CO 0.05 0.26 0.08 -1.17 -0.10 0.00 0.00 175.22 174.34 2qxf s LEU 12 N -0.60 4.69 0.13 -0.37 2.96 0.10 -0.63 118.68 124.97 2qxf s LEU 12 Ca 0.09 -1.94 -0.30 0.00 -0.22 0.00 0.00 54.13 51.76 2qxf s LEU 12 Cb -0.12 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 44.82 2qxf s LEU 12 CO 0.02 -0.40 0.97 -0.36 -1.32 0.00 0.00 176.35 175.26 2qxf s PHE 13 N 1.04 3.82 0.18 5.38 0.08 -0.55 -1.63 117.98 126.30 2qxf s PHE 13 Ca 0.06 1.80 -0.12 0.00 0.12 0.00 0.00 56.93 58.79 2qxf s PHE 13 Cb -0.20 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 2qxf s PHE 13 CO -0.06 0.18 0.37 -3.38 -0.10 0.00 0.00 175.22 172.23 2qxf s HIS 14 N -0.16 0.24 -0.28 0.36 -3.43 -0.65 -1.26 115.29 110.12 2qxf s HIS 14 Ca 0.46 -0.60 -0.23 0.00 -0.80 0.00 0.00 55.06 53.89 2qxf s HIS 14 Cb -0.24 0.10 0.09 0.00 -1.43 0.00 0.00 32.58 31.10 2qxf s HIS 14 CO 0.30 -0.80 0.83 0.34 -2.00 0.00 0.00 174.74 173.41 2qxf s ASP 15 N -2.94 -0.67 -0.02 7.38 2.15 -0.11 -4.39 116.67 118.06 2qxf s ASP 15 Ca 0.15 1.24 -0.05 0.00 0.43 0.00 0.00 52.55 54.32 2qxf s ASP 15 Cb 0.02 1.26 -0.04 0.00 -0.30 0.00 0.00 42.92 43.85 2qxf s ASP 15 CO -0.00 -0.21 0.21 -0.31 -0.17 0.00 0.00 175.17 174.69 2qxf s TYR 16 N 0.57 3.57 -0.12 -5.34 2.02 -1.26 -0.94 117.35 115.85 2qxf s TYR 16 Ca -0.01 0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 57.13 2qxf s TYR 16 Cb -0.05 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 2qxf s TYR 16 CO -0.05 0.65 0.04 -1.21 -1.57 0.00 0.00 175.55 173.41 2qxf s GLU 17 N -1.69 3.32 0.32 -0.62 0.41 0.04 -4.99 118.70 115.49 2qxf s GLU 17 Ca 0.25 -0.35 0.04 0.00 -0.41 0.00 0.00 54.97 54.50 2qxf s GLU 17 Cb -0.13 -2.96 -0.06 0.00 -1.78 0.00 0.00 34.13 29.20 2qxf s GLU 17 CO 0.15 0.60 0.06 0.95 -0.49 0.00 0.00 175.26 176.52 2qxf s THR 18 N -0.57 1.18 -1.97 3.63 -4.23 -1.26 -0.47 115.64 111.96 2qxf s THR 18 Ca 0.10 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.76 2qxf s THR 18 Cb -0.12 -2.79 0.43 0.00 1.34 0.00 0.00 72.50 71.36 2qxf s THR 18 CO 0.02 -0.01 1.35 0.49 -0.54 0.00 0.00 174.62 175.94 2qxf n PHE 19 N -0.68 0.66 0.00 3.99 3.72 0.14 -4.72 117.46 120.57 2qxf n PHE 19 Ca -0.02 -0.33 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 2qxf n PHE 19 Cb 0.67 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 2qxf n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qxf n GLY 20 N 1.25 -0.77 0.21 1.37 0.00 -1.26 -0.71 105.19 105.28 2qxf n GLY 20 Ca 0.16 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 45.19 2qxf n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qxf n THR 21 N -0.39 0.00 -2.77 2.61 -2.24 -1.26 -4.81 114.28 105.43 2qxf n THR 21 Ca 0.00 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 2qxf n THR 21 Cb 0.00 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 2qxf n THR 21 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2qxf s HIS 22 N -2.65 3.13 0.25 4.78 5.65 -1.26 -4.92 115.29 120.27 2qxf s HIS 22 Ca 0.19 0.95 0.37 0.00 0.25 0.00 0.00 55.06 56.82 2qxf s HIS 22 Cb 0.18 -3.58 1.65 0.00 -1.18 0.00 0.00 32.58 29.66 2qxf s HIS 22 CO 0.60 -0.75 2.09 -1.35 -0.65 0.00 0.00 174.74 174.68 2qxf h PRO 23 N 8.25 0.00 0.03 2.88 0.11 -1.87 -1.37 132.00 140.02 2qxf h PRO 23 Ca -0.22 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.51 2qxf h PRO 23 Cb 1.07 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 2qxf h PRO 23 CO 0.98 0.00 -2.14 0.00 -0.21 0.00 0.00 178.00 176.63 2qxf n ALA 24 N -2.09 1.11 0.65 -0.75 0.00 -1.26 -4.37 120.51 113.80 2qxf n ALA 24 Ca -0.00 -0.86 0.11 0.00 0.00 0.00 0.00 53.44 52.68 2qxf n ALA 24 Cb 0.24 -0.26 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 2qxf n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qxf n LEU 25 N -3.83 0.64 -4.97 0.00 4.77 -1.19 -4.84 117.00 107.57 2qxf n LEU 25 Ca -0.43 -0.21 -0.21 0.00 -0.03 0.00 0.00 56.01 55.14 2qxf n LEU 25 Cb 0.91 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 2qxf n LEU 25 CO 0.22 0.12 0.15 -1.81 -1.33 0.00 0.00 177.39 174.74 2qxf s ASP 26 N -3.62 5.94 0.02 -1.43 1.01 -0.52 -5.00 116.67 113.07 2qxf s ASP 26 Ca 0.03 0.05 0.04 0.00 0.71 0.00 0.00 52.55 53.39 2qxf s ASP 26 Cb 0.15 -1.42 -0.03 0.00 1.01 0.00 0.00 42.92 42.63 2qxf s ASP 26 CO 0.85 -0.52 -0.08 -0.13 0.21 0.00 0.00 175.17 175.49 2qxf s ARG 27 N -4.33 2.45 0.59 8.23 1.81 -1.26 -4.82 118.95 121.61 2qxf s ARG 27 Ca 0.46 -0.79 -0.17 0.00 -1.72 0.00 0.00 55.73 53.50 2qxf s ARG 27 Cb -0.10 -2.44 -0.04 0.00 -0.45 0.00 0.00 34.95 31.92 2qxf s ARG 27 CO 0.34 0.58 1.10 -1.25 -0.68 0.00 0.00 175.30 175.39 2qxf s PRO 28 N -1.55 3.20 -0.16 3.54 0.04 -1.26 -0.69 135.00 138.11 2qxf s PRO 28 Ca 0.18 1.45 -0.03 0.00 0.04 0.00 0.00 61.00 62.64 2qxf s PRO 28 Cb -0.11 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 2qxf s PRO 28 CO 0.08 -0.94 -0.17 0.00 0.04 0.00 0.00 177.00 176.01 2qxf n ALA 29 N -1.77 1.75 -3.30 8.56 0.00 0.39 -4.58 120.51 121.54 2qxf n ALA 29 Ca 0.11 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.73 2qxf n ALA 29 Cb 0.52 0.19 -0.09 0.00 0.00 0.00 0.00 19.45 20.06 2qxf n ALA 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2qxf s GLN 30 N -2.32 0.55 -0.06 0.00 0.74 -0.45 -1.36 119.66 116.76 2qxf s GLN 30 Ca -0.22 0.40 0.05 0.00 0.05 0.00 0.00 55.36 55.64 2qxf s GLN 30 Cb 0.07 0.26 -0.02 0.00 1.10 0.00 0.00 33.01 34.42 2qxf s GLN 30 CO 0.34 -0.10 -0.21 0.12 -0.55 0.00 0.00 175.29 174.89 2qxf s PHE 31 N -0.17 2.53 -0.00 1.67 5.36 0.13 -0.78 117.98 126.72 2qxf s PHE 31 Ca -0.03 -0.53 0.03 0.00 -0.96 0.00 0.00 56.93 55.44 2qxf s PHE 31 Cb -0.03 -1.62 -0.01 0.00 -0.34 0.00 0.00 43.02 41.02 2qxf s PHE 31 CO 0.02 -0.09 -0.11 0.00 -1.46 0.00 0.00 175.22 173.58 2qxf s ALA 32 N -0.32 0.92 0.07 11.12 0.00 -0.12 -1.46 121.76 131.98 2qxf s ALA 32 Ca 0.02 -0.52 -0.23 0.00 0.00 0.00 0.00 51.96 51.23 2qxf s ALA 32 Cb -0.13 -0.22 0.06 0.00 0.00 0.00 0.00 23.12 22.84 2qxf s ALA 32 CO 0.02 0.21 0.56 0.00 0.00 0.00 0.00 175.76 176.56 2qxf s ALA 33 N -0.35 -1.45 -0.05 0.00 0.00 0.29 -0.94 121.76 119.25 2qxf s ALA 33 Ca 0.04 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 2qxf s ALA 33 Cb -0.05 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.61 2qxf s ALA 33 CO -0.00 -0.58 0.40 -1.50 0.00 0.00 0.00 175.76 174.08 2qxf s ILE 34 N -2.76 0.03 -0.14 0.00 2.07 -0.39 -0.89 121.20 119.13 2qxf s ILE 34 Ca -0.04 -0.28 -0.09 0.00 -1.41 0.00 0.00 60.65 58.83 2qxf s ILE 34 Cb -0.00 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 41.87 2qxf s ILE 34 CO -0.04 -0.16 0.16 -0.60 -1.91 0.00 0.00 174.94 172.40 2qxf s ARG 35 N -0.93 3.77 0.28 3.50 3.52 -1.26 -1.48 118.95 126.36 2qxf s ARG 35 Ca -0.10 -0.11 0.11 0.00 -0.13 0.00 0.00 55.73 55.50 2qxf s ARG 35 Cb -0.04 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 2qxf s ARG 35 CO 0.04 0.58 -0.18 0.95 -0.81 0.00 0.00 175.30 175.88 2qxf s THR 36 N -0.47 2.40 0.73 4.11 -4.23 0.20 -1.40 115.64 116.99 2qxf s THR 36 Ca 0.13 -2.37 -0.12 0.00 -1.18 0.00 0.00 61.69 58.15 2qxf s THR 36 Cb -0.12 -2.33 0.18 0.00 1.34 0.00 0.00 72.50 71.57 2qxf s THR 36 CO 0.03 -0.39 0.76 -0.90 -0.54 0.00 0.00 174.62 173.58 2qxf n ASP 37 N -0.63 -1.05 0.05 3.99 5.68 -0.03 -1.39 116.55 123.18 2qxf n ASP 37 Ca -0.05 -1.07 0.07 0.00 -0.50 0.00 0.00 54.79 53.23 2qxf n ASP 37 Cb 0.60 -0.65 0.31 0.00 -1.14 0.00 0.00 41.12 40.24 2qxf n ASP 37 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2qxf n SER 38 N -3.96 0.23 -0.85 -1.12 3.41 -1.22 -1.82 113.62 108.28 2qxf n SER 38 Ca 0.10 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.37 2qxf n SER 38 Cb 0.38 -0.62 0.18 0.00 -0.26 0.00 0.00 64.21 63.89 2qxf n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qxf n GLU 39 N -1.77 2.40 -1.15 4.33 -0.58 -1.26 -4.98 120.64 117.62 2qxf n GLU 39 Ca 0.02 -2.08 -0.05 0.00 -0.42 0.00 0.00 57.16 54.62 2qxf n GLU 39 Cb 0.12 -1.37 -0.02 0.00 -0.57 0.00 0.00 31.44 29.60 2qxf n GLU 39 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2qxf n PHE 40 N 0.96 0.00 -2.43 -0.32 3.72 -0.76 -5.02 117.46 113.60 2qxf n PHE 40 Ca 0.15 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.13 2qxf n PHE 40 Cb 0.48 -1.32 -0.03 0.00 -0.94 0.00 0.00 39.48 37.67 2qxf n PHE 40 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2qxf s ASN 41 N -2.62 7.05 0.05 4.37 0.02 -1.26 -4.82 114.94 117.73 2qxf s ASN 41 Ca 0.00 1.90 -0.30 0.00 -1.02 0.00 0.00 52.86 53.43 2qxf s ASN 41 Cb 0.00 -2.56 -0.08 0.00 0.02 0.00 0.00 41.25 38.62 2qxf s ASN 41 CO 0.00 -0.56 1.71 -0.69 0.02 0.00 0.00 177.10 177.58 2qxf s VAL 42 N 1.88 3.08 -0.01 1.60 1.01 -1.26 -0.85 120.40 125.86 2qxf s VAL 42 Ca 0.57 0.43 0.02 0.00 0.00 0.00 0.00 61.98 63.00 2qxf s VAL 42 Cb -0.27 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2qxf s VAL 42 CO 0.25 -0.01 0.04 2.30 0.00 0.00 0.00 175.10 177.68 2qxf n ILE 43 N 4.95 0.00 -3.03 2.22 -5.35 -0.49 -4.91 119.36 112.75 2qxf n ILE 43 Ca 0.17 -0.06 -0.18 0.00 -0.27 0.00 0.00 62.75 62.40 2qxf n ILE 43 Cb 0.41 0.49 0.03 0.00 -1.74 0.00 0.00 39.64 38.82 2qxf n ILE 43 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2qxf s GLY 44 N -2.16 1.87 0.30 3.28 0.00 -0.85 -5.01 107.32 104.75 2qxf s GLY 44 Ca -0.01 -1.86 -0.09 0.00 0.00 0.00 0.00 44.72 42.77 2qxf s GLY 44 CO 0.08 -1.57 0.62 -0.54 0.00 0.00 0.00 173.10 171.69 2qxf s GLU 45 N -4.47 3.77 0.29 2.90 0.41 -1.26 -4.75 118.70 115.59 2qxf s GLU 45 Ca 0.57 0.29 -0.30 0.00 -0.41 0.00 0.00 54.97 55.12 2qxf s GLU 45 Cb -0.08 -2.56 -0.12 0.00 -1.78 0.00 0.00 34.13 29.59 2qxf s GLU 45 CO 0.35 0.19 1.59 -2.30 -0.49 0.00 0.00 175.26 174.60 2qxf n PRO 46 N -0.66 2.68 -3.83 0.39 -0.02 -1.26 -4.67 135.00 127.62 2qxf n PRO 46 Ca 0.01 0.95 -0.36 0.00 -2.02 0.00 0.00 63.50 62.08 2qxf n PRO 46 Cb 0.53 -2.73 -0.13 0.00 -0.02 0.00 0.00 33.50 31.15 2qxf n PRO 46 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2qxf s GLU 47 N -0.53 2.40 -0.06 -0.52 0.41 -0.06 -5.00 118.70 115.33 2qxf s GLU 47 Ca 0.64 -1.35 -0.00 0.00 -0.41 0.00 0.00 54.97 53.84 2qxf s GLU 47 Cb -0.50 -3.35 0.03 0.00 -1.78 0.00 0.00 34.13 28.53 2qxf s GLU 47 CO 0.49 -0.73 -0.02 0.08 -0.49 0.00 0.00 175.26 174.59 2qxf s VAL 48 N 1.28 0.45 0.19 2.63 1.01 -1.26 -0.55 120.40 124.14 2qxf s VAL 48 Ca -0.01 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 2qxf s VAL 48 Cb -0.20 -0.54 0.04 0.00 0.00 0.00 0.00 36.38 35.67 2qxf s VAL 48 CO -0.01 0.24 0.55 0.72 0.00 0.00 0.00 175.10 176.61 2qxf s PHE 49 N 1.49 -0.22 0.20 5.22 -0.12 -0.54 -5.01 117.98 119.02 2qxf s PHE 49 Ca -0.02 -0.11 0.08 0.00 -0.05 0.00 0.00 56.93 56.83 2qxf s PHE 49 Cb -0.13 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 2qxf s PHE 49 CO -0.03 -0.92 0.03 0.71 -0.05 0.00 0.00 175.22 174.96 2qxf s TYR 50 N -3.85 2.85 -0.20 3.49 2.02 -1.26 -0.69 117.35 119.71 2qxf s TYR 50 Ca 0.07 -0.15 -0.02 0.00 -0.37 0.00 0.00 57.07 56.61 2qxf s TYR 50 Cb -0.01 -1.35 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 2qxf s TYR 50 CO -0.05 0.54 -0.11 0.00 -1.57 0.00 0.00 175.55 174.37 2qxf s LYS 52 N 1.32 4.15 0.17 0.00 1.02 0.53 -4.53 119.74 122.39 2qxf s LYS 52 Ca 0.04 2.55 -0.30 0.00 0.02 0.00 0.00 55.97 58.28 2qxf s LYS 52 Cb -0.14 -4.04 -0.07 0.00 -0.52 0.00 0.00 37.83 33.06 2qxf s LYS 52 CO -0.06 -0.92 0.97 -1.25 -0.92 0.00 0.00 175.35 173.18 2qxf s PRO 53 N 4.09 4.74 0.79 -1.68 0.04 -1.26 -4.29 135.00 137.44 2qxf s PRO 53 Ca 0.85 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 2qxf s PRO 53 Cb -0.42 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 30.86 2qxf s PRO 53 CO 0.39 0.31 1.12 0.00 0.04 0.00 0.00 177.00 178.86 2qxf s ALA 54 N -0.49 2.07 -1.35 8.56 0.00 -1.26 -4.93 121.76 124.35 2qxf s ALA 54 Ca 0.45 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.88 2qxf s ALA 54 Cb -0.25 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.56 2qxf s ALA 54 CO 0.32 -1.97 0.75 -0.40 0.00 0.00 0.00 175.76 174.45 2qxf n ASP 55 N -3.46 0.88 -1.58 0.00 5.75 -1.26 -3.20 116.55 113.68 2qxf n ASP 55 Ca 0.10 -2.03 0.08 0.00 -0.01 0.00 0.00 54.79 52.93 2qxf n ASP 55 Cb 0.52 -0.33 0.36 0.00 -1.03 0.00 0.00 41.12 40.64 2qxf n ASP 55 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2qxf n ASP 56 N -0.12 4.98 -3.81 -1.12 5.75 -1.26 -4.98 116.55 115.98 2qxf n ASP 56 Ca 0.02 -2.71 -0.13 0.00 -0.01 0.00 0.00 54.79 51.96 2qxf n ASP 56 Cb 0.20 -0.60 -0.12 0.00 -1.03 0.00 0.00 41.12 39.56 2qxf n ASP 56 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2qxf s TYR 57 N -2.32 -0.19 -0.08 2.11 5.04 -1.19 -4.94 117.35 115.78 2qxf s TYR 57 Ca 0.50 0.46 0.03 0.00 -2.44 0.00 0.00 57.07 55.63 2qxf s TYR 57 Cb 0.36 0.06 -0.02 0.00 0.35 0.00 0.00 41.96 42.71 2qxf s TYR 57 CO 0.19 -0.10 -0.18 -0.51 -1.34 0.00 0.00 175.55 173.61 2qxf s LEU 58 N 0.17 2.46 0.68 6.97 1.43 -1.26 -4.95 118.68 124.17 2qxf s LEU 58 Ca -0.01 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.57 2qxf s LEU 58 Cb -0.02 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.71 2qxf s LEU 58 CO -0.00 0.24 1.14 -2.16 0.23 0.00 0.00 176.35 175.80 2qxf s PRO 59 N -0.14 2.61 0.01 1.29 0.04 -1.26 -4.96 135.00 132.59 2qxf s PRO 59 Ca -0.02 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 2qxf s PRO 59 Cb -0.14 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 2qxf s PRO 59 CO 0.04 -1.42 1.62 -0.65 0.04 0.00 0.00 177.00 176.63 2qxf s GLN 60 N -3.98 4.20 0.24 4.56 -0.21 0.11 -4.92 119.66 119.67 2qxf s GLN 60 Ca 0.70 2.22 -0.04 0.00 0.02 0.00 0.00 55.36 58.26 2qxf s GLN 60 Cb -0.24 -3.78 0.43 0.00 1.00 0.00 0.00 33.01 30.42 2qxf s GLN 60 CO 0.42 -0.76 1.77 -1.35 -2.12 0.00 0.00 175.29 173.24 2qxf h PRO 61 N 8.83 0.59 -0.92 2.91 0.11 -1.93 -2.31 132.00 139.30 2qxf h PRO 61 Ca -0.41 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 65.78 2qxf h PRO 61 Cb 1.19 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.08 2qxf h PRO 61 CO 0.94 0.39 0.54 0.78 -0.21 0.00 0.00 178.00 180.44 2qxf h GLY 62 N 0.61 1.48 0.96 -0.55 0.00 -1.94 -1.63 103.07 102.00 2qxf h GLY 62 Ca 0.40 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2qxf h GLY 62 CO -0.32 0.11 0.21 0.00 0.00 0.00 0.00 176.54 176.54 2qxf h ALA 63 N 1.51 0.57 -0.52 3.60 0.00 -1.69 -2.71 119.26 120.03 2qxf h ALA 63 Ca 0.46 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 2qxf h ALA 63 Cb 0.48 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2qxf h ALA 63 CO -0.28 0.14 -0.02 0.28 0.00 0.00 0.00 179.25 179.38 2qxf h VAL 64 N 0.58 1.26 -0.05 0.00 2.07 -1.27 -0.61 116.25 118.22 2qxf h VAL 64 Ca 0.15 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 2qxf h VAL 64 Cb 0.13 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2qxf h VAL 64 CO -0.02 0.39 -0.11 -0.07 0.02 0.00 0.00 177.57 177.79 2qxf h LEU 65 N 0.83 0.06 0.04 2.57 3.38 -1.20 0.96 115.31 121.93 2qxf h LEU 65 Ca 0.15 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qxf h LEU 65 Cb 0.52 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2qxf h LEU 65 CO 0.03 0.18 -0.02 0.40 0.09 0.00 0.00 178.44 179.12 2qxf h ILE 66 N 0.07 1.34 0.03 1.22 2.04 -1.11 -3.39 117.51 117.71 2qxf h ILE 66 Ca 0.01 -1.71 -0.23 0.00 1.00 0.00 0.00 64.86 63.94 2qxf h ILE 66 Cb 0.23 2.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 2qxf h ILE 66 CO 0.01 0.40 -1.09 0.71 0.00 0.00 0.00 178.15 178.19 2qxf h THR 67 N -0.86 1.63 0.00 -0.27 1.35 -1.02 -3.48 112.91 110.27 2qxf h THR 67 Ca -0.00 -3.32 0.00 0.00 -0.55 0.00 0.00 66.41 62.54 2qxf h THR 67 Cb 0.70 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 2qxf h THR 67 CO 0.01 0.94 0.00 0.61 -0.25 0.00 0.00 175.52 176.83 2qxf n GLY 68 N 1.40 0.34 3.45 5.82 0.00 0.32 -5.01 105.19 111.52 2qxf n GLY 68 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2qxf n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qxf s ILE 69 N -1.70 5.12 0.59 -0.61 1.01 -1.26 -5.07 121.20 119.27 2qxf s ILE 69 Ca 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 2qxf s ILE 69 Cb 0.00 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2qxf s ILE 69 CO 0.00 -0.24 1.03 0.42 0.00 0.00 0.00 174.94 176.15 2qxf s THR 70 N 1.66 4.21 0.45 2.92 -4.23 -1.26 -4.74 115.64 114.65 2qxf s THR 70 Ca 0.05 0.95 0.10 0.00 -1.18 0.00 0.00 61.69 61.61 2qxf s THR 70 Cb -0.19 -3.56 0.26 0.00 1.34 0.00 0.00 72.50 70.35 2qxf s THR 70 CO 0.09 -0.71 2.08 1.55 -0.54 0.00 0.00 174.62 177.09 2qxf h PRO 71 N 0.31 0.33 -0.66 3.99 0.13 -1.98 -2.23 132.00 131.89 2qxf h PRO 71 Ca -0.46 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 2qxf h PRO 71 Cb 1.20 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 2qxf h PRO 71 CO 0.59 0.23 0.42 1.96 -0.23 0.00 0.00 178.00 180.98 2qxf h GLN 72 N 0.34 0.81 -0.01 0.86 7.50 -1.93 -0.42 115.11 122.26 2qxf h GLN 72 Ca 0.09 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.19 2qxf h GLN 72 Cb -0.01 -0.18 -0.00 0.00 0.05 0.00 0.00 27.48 27.34 2qxf h GLN 72 CO -0.02 0.54 -0.00 1.49 -1.50 0.00 0.00 178.83 179.34 2qxf h GLU 73 N 0.83 0.01 -0.93 1.46 4.81 -1.83 -0.21 114.58 118.72 2qxf h GLU 73 Ca 0.26 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2qxf h GLU 73 Cb -0.01 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 2qxf h GLU 73 CO -0.09 0.36 0.59 0.00 -0.73 0.00 0.00 179.01 179.14 2qxf h ALA 74 N 0.65 1.28 -0.45 2.92 0.00 -1.35 -0.23 119.26 122.09 2qxf h ALA 74 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2qxf h ALA 74 Cb 0.36 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2qxf h ALA 74 CO 0.00 0.64 0.02 -0.09 0.00 0.00 0.00 179.25 179.82 2qxf h ARG 75 N 1.28 0.79 0.00 0.00 2.43 -0.96 0.13 114.38 118.04 2qxf h ARG 75 Ca 0.34 -0.24 -0.19 0.00 -0.81 0.00 0.00 59.98 59.08 2qxf h ARG 75 Cb -0.10 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2qxf h ARG 75 CO -0.07 0.83 -0.84 0.00 -1.51 0.00 0.00 179.97 178.38 2qxf h ALA 76 N 0.92 0.58 0.00 2.80 0.00 -0.66 -3.31 119.26 119.60 2qxf h ALA 76 Ca 0.13 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2qxf h ALA 76 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qxf h ALA 76 CO 0.02 0.94 -1.26 1.63 0.00 0.00 0.00 179.25 180.58 2qxf n LYS 77 N -3.64 0.21 -2.42 0.00 5.02 -0.13 -5.02 118.16 112.19 2qxf n LYS 77 Ca -0.02 -0.05 -0.24 0.00 -2.02 0.00 0.00 58.31 55.98 2qxf n LYS 77 Cb 0.79 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.36 2qxf n LYS 77 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2qxf s GLY 78 N -3.40 1.76 0.36 0.72 0.00 0.45 -4.49 107.32 102.73 2qxf s GLY 78 Ca 0.04 -1.18 0.08 0.00 0.00 0.00 0.00 44.72 43.65 2qxf s GLY 78 CO 0.88 -0.80 0.19 -0.54 0.00 0.00 0.00 173.10 172.82 2qxf s GLU 79 N -5.05 2.39 0.96 2.90 2.02 -0.94 -4.65 118.70 116.32 2qxf s GLU 79 Ca 0.60 -1.58 -0.11 0.00 0.02 0.00 0.00 54.97 53.90 2qxf s GLU 79 Cb -0.10 -2.18 0.17 0.00 0.10 0.00 0.00 34.13 32.12 2qxf s GLU 79 CO 0.42 0.03 1.11 0.54 0.02 0.00 0.00 175.26 177.39 2qxf s ASN 80 N -3.90 2.62 0.41 -0.19 2.20 -1.26 -0.35 114.94 114.47 2qxf s ASN 80 Ca 0.40 1.97 0.10 0.00 -0.94 0.00 0.00 52.86 54.39 2qxf s ASN 80 Cb -0.02 -2.48 0.86 0.00 -2.00 0.00 0.00 41.25 37.61 2qxf s ASN 80 CO 0.24 -3.25 1.96 -0.08 -2.94 0.00 0.00 177.10 173.03 2qxf h GLU 81 N -1.97 0.24 -0.45 3.55 4.81 -1.93 -0.40 114.58 118.42 2qxf h GLU 81 Ca -0.48 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 58.77 2qxf h GLU 81 Cb 1.28 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 2qxf h GLU 81 CO 0.45 0.32 0.17 0.00 -0.73 0.00 0.00 179.01 179.22 2qxf h ALA 82 N 1.71 0.55 -0.07 2.92 0.00 -1.95 0.15 119.26 122.57 2qxf h ALA 82 Ca 0.05 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 2qxf h ALA 82 Cb 0.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qxf h ALA 82 CO 0.01 -0.22 -0.80 0.00 0.00 0.00 0.00 179.25 178.24 2qxf h ALA 83 N 1.30 0.48 -0.07 0.00 0.00 -1.60 -1.42 119.26 117.95 2qxf h ALA 83 Ca 0.21 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.51 2qxf h ALA 83 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2qxf h ALA 83 CO -0.21 0.76 -0.07 0.35 0.00 0.00 0.00 179.25 180.08 2qxf h PHE 84 N 0.31 -0.17 -0.74 0.00 3.57 -0.97 -1.97 116.94 116.98 2qxf h PHE 84 Ca -0.05 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.51 2qxf h PHE 84 Cb 1.40 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 40.18 2qxf h PHE 84 CO 0.06 -0.11 0.45 0.00 -2.23 0.00 0.00 178.31 176.48 2qxf h ALA 85 N 0.96 0.98 -0.67 2.41 0.00 -0.63 -2.07 119.26 120.25 2qxf h ALA 85 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2qxf h ALA 85 Cb 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2qxf h ALA 85 CO -0.12 0.19 0.41 0.00 0.00 0.00 0.00 179.25 179.73 2qxf h ALA 86 N 1.34 0.88 -0.46 0.00 0.00 -0.97 0.13 119.26 120.18 2qxf h ALA 86 Ca 0.31 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2qxf h ALA 86 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2qxf h ALA 86 CO -0.14 0.15 0.03 0.00 0.00 0.00 0.00 179.25 179.29 2qxf h ARG 87 N 0.79 0.79 -0.18 0.00 3.08 -0.98 -1.37 114.38 116.51 2qxf h ARG 87 Ca 0.27 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2qxf h ARG 87 Cb 0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2qxf h ARG 87 CO -0.12 0.84 0.00 0.82 -1.07 0.00 0.00 179.97 180.44 2qxf h ILE 88 N 0.65 1.25 -0.91 2.04 2.04 -1.18 -2.79 117.51 118.61 2qxf h ILE 88 Ca 0.13 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.20 2qxf h ILE 88 Cb 0.46 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 2qxf h ILE 88 CO 0.02 0.26 0.57 -0.74 0.00 0.00 0.00 178.15 178.26 2qxf h HIS 89 N 0.08 1.06 0.00 1.37 2.76 -0.65 -0.48 115.15 119.29 2qxf h HIS 89 Ca 0.05 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.20 2qxf h HIS 89 Cb 0.39 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 2qxf h HIS 89 CO 0.03 0.54 -0.24 0.66 -1.30 0.00 0.00 177.93 177.62 2qxf h SER 90 N 1.04 0.00 0.07 3.26 4.64 -1.17 -1.79 113.55 119.61 2qxf h SER 90 Ca 0.40 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.55 2qxf h SER 90 Cb 0.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2qxf h SER 90 CO -0.17 0.24 -0.70 -0.07 -0.87 0.00 0.00 176.83 175.26 2qxf h LEU 91 N 0.00 0.49 -1.22 5.97 3.38 -1.12 -3.35 115.31 119.47 2qxf h LEU 91 Ca -0.00 -0.86 -0.03 0.00 0.09 0.00 0.00 57.88 57.08 2qxf h LEU 91 Cb 0.50 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2qxf h LEU 91 CO 0.03 1.30 -0.14 -0.26 0.09 0.00 0.00 178.44 179.46 2qxf h PHE 92 N -0.25 0.00 -0.47 1.13 -1.00 -0.95 -3.21 116.94 112.20 2qxf h PHE 92 Ca -0.11 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.67 2qxf h PHE 92 Cb 1.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.03 2qxf h PHE 92 CO 0.17 0.14 0.00 0.25 -1.61 0.00 0.00 178.31 177.27 2qxf n THR 93 N -3.30 0.73 -1.69 -1.55 -2.24 -0.69 -4.84 114.28 100.71 2qxf n THR 93 Ca 0.00 -0.86 -0.44 0.00 -2.27 0.00 0.00 64.05 60.48 2qxf n THR 93 Cb 0.39 0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 69.33 2qxf n THR 93 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2qxf n VAL 94 N 1.30 0.22 -1.67 2.28 0.31 -1.21 -4.93 118.33 114.64 2qxf n VAL 94 Ca 0.19 -0.04 -0.38 0.00 -0.01 0.00 0.00 64.34 64.10 2qxf n VAL 94 Cb 0.56 -1.88 0.05 0.00 -0.91 0.00 0.00 33.84 31.66 2qxf n VAL 94 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2qxf n PRO 95 N 4.80 1.19 -2.85 5.55 -0.02 -1.26 -3.31 135.00 139.09 2qxf n PRO 95 Ca 0.18 0.45 -0.19 0.00 -2.02 0.00 0.00 63.50 61.92 2qxf n PRO 95 Cb 0.33 -2.32 0.03 0.00 -0.02 0.00 0.00 33.50 31.51 2qxf n PRO 95 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2qxf n LYS 96 N -1.03 -3.97 -3.48 -0.52 5.02 0.13 -3.98 118.16 110.32 2qxf n LYS 96 Ca 0.13 0.80 -0.37 0.00 -2.02 0.00 0.00 58.31 56.85 2qxf n LYS 96 Cb 0.46 -5.40 -0.07 0.00 -0.02 0.00 0.00 35.03 30.00 2qxf n LYS 96 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2qxf s THR 97 N -3.08 5.26 -0.43 -0.18 2.01 -1.21 -1.38 115.64 116.64 2qxf s THR 97 Ca 0.23 0.59 -0.19 0.00 0.31 0.00 0.00 61.69 62.63 2qxf s THR 97 Cb -0.10 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.76 2qxf s THR 97 CO 0.29 0.33 0.57 0.00 -0.69 0.00 0.00 174.62 175.12 2qxf s ILE 99 N 2.57 4.98 0.14 0.00 1.09 -0.20 -0.72 121.20 129.06 2qxf s ILE 99 Ca 0.19 1.21 -0.09 0.00 -1.10 0.00 0.00 60.65 60.86 2qxf s ILE 99 Cb -0.15 -3.96 -0.01 0.00 -1.06 0.00 0.00 42.46 37.28 2qxf s ILE 99 CO 0.17 0.05 0.24 -1.48 -0.10 0.00 0.00 174.94 173.82 2qxf s LEU 100 N 2.29 1.15 0.00 2.97 2.34 -0.65 -2.07 118.68 124.72 2qxf s LEU 100 Ca 0.28 -0.80 0.00 0.00 0.06 0.00 0.00 54.13 53.67 2qxf s LEU 100 Cb -0.16 1.10 0.00 0.00 -0.56 0.00 0.00 46.19 46.58 2qxf s LEU 100 CO 0.09 -0.83 0.00 0.61 -1.06 0.00 0.00 176.35 175.16 2qxf n GLY 101 N -0.16 3.58 2.72 -3.48 0.00 -1.24 -1.64 105.19 104.98 2qxf n GLY 101 Ca -0.10 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 2qxf n GLY 101 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qxf s TYR 102 N -0.57 1.34 -0.56 1.61 5.04 -1.26 -1.22 117.35 121.73 2qxf s TYR 102 Ca 0.00 -1.31 0.00 0.00 -2.44 0.00 0.00 57.07 53.32 2qxf s TYR 102 Cb 0.00 -1.36 0.00 0.00 0.35 0.00 0.00 41.96 40.95 2qxf s TYR 102 CO 0.00 -0.76 0.00 -1.71 -1.34 0.00 0.00 175.55 171.74 2qxf n ASN 103 N 4.96 -3.64 0.03 4.32 4.05 -1.26 -4.91 115.26 118.80 2qxf n ASN 103 Ca -0.06 0.13 -0.02 0.00 0.45 0.00 0.00 54.58 55.08 2qxf n ASN 103 Cb 0.44 -1.60 0.24 0.00 1.23 0.00 0.00 39.78 40.08 2qxf n ASN 103 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2qxf h ASN 104 N 0.00 0.45 -0.75 1.20 -1.07 -1.90 -1.07 115.58 112.44 2qxf h ASN 104 Ca -0.11 -0.14 0.01 0.00 0.07 0.00 0.00 56.30 56.14 2qxf h ASN 104 Cb 0.35 -0.12 -0.04 0.00 -2.07 0.00 0.00 38.32 36.44 2qxf h ASN 104 CO 0.16 0.66 0.49 0.58 0.07 0.00 0.00 177.43 179.40 2qxf h VAL 105 N 0.41 1.18 0.00 6.14 2.07 -1.94 0.27 116.25 124.38 2qxf h VAL 105 Ca 0.07 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2qxf h VAL 105 Cb 0.59 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2qxf h VAL 105 CO 0.04 0.18 -1.05 -1.14 0.02 0.00 0.00 177.57 175.63 2qxf n ARG 106 N -4.57 0.42 0.00 1.57 0.63 -1.20 -4.53 116.66 108.98 2qxf n ARG 106 Ca 0.07 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2qxf n ARG 106 Cb 0.03 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.27 2qxf n ARG 106 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2qxf n PHE 107 N -2.23 0.00 -0.33 -0.14 7.35 -0.41 -4.77 117.46 116.93 2qxf n PHE 107 Ca 0.01 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.71 2qxf n PHE 107 Cb 0.48 0.08 0.18 0.00 0.35 0.00 0.00 39.48 40.58 2qxf n PHE 107 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2qxf h ASP 108 N 0.00 1.01 0.23 -2.13 3.32 -1.56 -0.48 116.42 116.81 2qxf h ASP 108 Ca 0.00 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 2qxf h ASP 108 Cb 0.00 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2qxf h ASP 108 CO 0.00 0.69 -0.27 0.44 -1.72 0.00 0.00 179.24 178.38 2qxf h ASP 109 N 1.17 0.07 -0.43 6.45 3.32 -0.72 0.08 116.42 126.37 2qxf h ASP 109 Ca 0.37 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.26 2qxf h ASP 109 Cb 0.02 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2qxf h ASP 109 CO -0.11 0.34 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.12 2qxf h GLU 110 N 0.06 0.96 -0.16 3.56 4.39 -1.32 -0.47 114.58 121.60 2qxf h GLU 110 Ca 0.01 -0.46 0.01 0.00 0.34 0.00 0.00 59.36 59.26 2qxf h GLU 110 Cb 0.51 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2qxf h GLU 110 CO 0.04 1.12 0.09 0.28 -1.16 0.00 0.00 179.01 179.38 2qxf h VAL 111 N 0.79 1.02 -0.14 3.13 2.07 -0.55 -1.74 116.25 120.83 2qxf h VAL 111 Ca 0.08 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.57 2qxf h VAL 111 Cb 0.89 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2qxf h VAL 111 CO 0.08 0.04 -0.05 0.74 0.02 0.00 0.00 177.57 178.39 2qxf h THR 112 N 0.20 0.81 -0.74 2.57 2.02 -0.89 0.27 112.91 117.15 2qxf h THR 112 Ca 0.06 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.34 2qxf h THR 112 Cb -0.01 0.81 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 2qxf h THR 112 CO -0.03 0.00 0.39 0.03 0.37 0.00 0.00 175.52 176.28 2qxf h ARG 113 N -0.03 0.64 -0.31 6.66 3.08 -0.95 0.19 114.38 123.66 2qxf h ARG 113 Ca 0.07 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 2qxf h ARG 113 Cb 0.14 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2qxf h ARG 113 CO -0.16 0.43 -0.44 -0.91 -1.07 0.00 0.00 179.97 177.81 2qxf h ASN 114 N 0.66 0.93 -0.61 7.04 2.35 -0.83 -0.01 115.58 125.11 2qxf h ASN 114 Ca 0.36 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2qxf h ASN 114 Cb 0.36 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 2qxf h ASN 114 CO -0.26 1.25 0.35 0.40 -1.65 0.00 0.00 177.43 177.52 2qxf h ILE 115 N 0.63 1.19 -0.17 2.81 2.04 -0.58 -0.57 117.51 122.85 2qxf h ILE 115 Ca 0.03 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 2qxf h ILE 115 Cb 1.04 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2qxf h ILE 115 CO 0.10 0.20 0.02 -0.26 0.00 0.00 0.00 178.15 178.21 2qxf h PHE 116 N 0.83 0.31 -0.27 1.37 0.04 -0.85 -2.01 116.94 116.36 2qxf h PHE 116 Ca 0.22 -0.05 0.07 0.00 2.80 0.00 0.00 57.97 61.00 2qxf h PHE 116 Cb 0.01 -0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.01 2qxf h PHE 116 CO -0.01 0.48 -0.23 -0.92 -0.60 0.00 0.00 178.31 177.03 2qxf h TYR 117 N 0.06 -0.59 0.00 -0.55 3.20 -0.87 -0.36 116.97 117.86 2qxf h TYR 117 Ca 0.05 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2qxf h TYR 117 Cb 0.34 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 2qxf h TYR 117 CO 0.03 -0.30 -0.18 0.00 -1.64 0.00 0.00 178.16 176.06 2qxf h ARG 118 N -0.22 0.00 -0.20 1.82 3.08 -1.04 -3.23 114.38 114.59 2qxf h ARG 118 Ca 0.15 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 2qxf h ARG 118 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2qxf h ARG 118 CO -0.40 0.18 -0.05 0.09 -1.07 0.00 0.00 179.97 178.72 2qxf n ASN 119 N -3.93 3.03 -0.83 7.04 3.02 -0.76 -4.69 115.26 118.13 2qxf n ASN 119 Ca -0.02 -3.27 -0.09 0.00 -0.03 0.00 0.00 54.58 51.17 2qxf n ASN 119 Cb 0.27 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 2qxf n ASN 119 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2qxf n PHE 120 N -0.93 -0.19 -3.63 3.10 3.01 -0.69 -4.90 117.46 113.23 2qxf n PHE 120 Ca 0.23 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.39 2qxf n PHE 120 Cb 0.85 -2.00 -0.04 0.00 -0.01 0.00 0.00 39.48 38.29 2qxf n PHE 120 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 2qxf s TYR 121 N -2.38 3.48 0.05 1.38 2.02 -0.23 -4.57 117.35 117.09 2qxf s TYR 121 Ca 0.00 0.48 -0.32 0.00 -0.37 0.00 0.00 57.07 56.87 2qxf s TYR 121 Cb 0.00 -1.96 -0.10 0.00 -0.40 0.00 0.00 41.96 39.50 2qxf s TYR 121 CO 0.00 0.37 1.89 -3.47 -1.57 0.00 0.00 175.55 172.77 2qxf n ASP 122 N -0.36 3.92 0.12 2.29 -0.08 -1.26 -3.96 116.55 117.21 2qxf n ASP 122 Ca -0.03 0.96 0.11 0.00 -1.51 0.00 0.00 54.79 54.32 2qxf n ASP 122 Cb 0.53 -1.49 0.47 0.00 2.34 0.00 0.00 41.12 42.97 2qxf n ASP 122 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2qxf n PRO 123 N 6.49 0.17 0.00 -0.67 -0.02 -1.26 -4.26 135.00 135.45 2qxf n PRO 123 Ca 0.20 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2qxf n PRO 123 Cb 0.37 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2qxf n PRO 123 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qxf n TYR 124 N -2.16 0.00 -0.12 6.00 4.01 -1.26 -4.51 117.16 119.12 2qxf n TYR 124 Ca 0.02 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.82 2qxf n TYR 124 Cb 0.22 0.00 0.38 0.00 -0.31 0.00 0.00 39.34 39.63 2qxf n TYR 124 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qxf h ALA 125 N 0.00 1.72 -0.94 -0.72 0.00 -2.00 -2.82 119.26 114.50 2qxf h ALA 125 Ca 0.00 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 55.12 2qxf h ALA 125 Cb 0.96 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2qxf h ALA 125 CO 0.00 0.20 0.64 0.11 0.00 0.00 0.00 179.25 180.20 2qxf h TRP 126 N 0.68 0.39 -0.00 0.00 5.08 -1.88 -1.13 115.95 119.09 2qxf h TRP 126 Ca 0.25 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.23 2qxf h TRP 126 Cb 0.15 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 26.19 2qxf h TRP 126 CO -0.00 0.08 -0.20 -1.13 -1.28 0.00 0.00 178.44 175.90 2qxf n SER 127 N -4.45 0.30 0.00 0.11 3.41 -1.07 -4.39 113.62 107.53 2qxf n SER 127 Ca 0.21 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2qxf n SER 127 Cb 0.84 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 2qxf n SER 127 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 2qxf n TRP 128 N -1.36 0.00 -1.81 7.33 4.27 -0.93 -3.00 117.44 121.94 2qxf n TRP 128 Ca 0.08 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.35 2qxf n TRP 128 Cb 0.32 0.00 0.05 0.00 -1.36 0.00 0.00 31.31 30.32 2qxf n TRP 128 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 2qxf s GLN 129 N -0.58 2.75 -1.44 -2.67 -0.21 -0.47 -3.34 119.66 113.70 2qxf s GLN 129 Ca 0.00 1.64 -0.11 0.00 0.02 0.00 0.00 55.36 56.91 2qxf s GLN 129 Cb 0.00 -1.92 0.05 0.00 1.00 0.00 0.00 33.01 32.13 2qxf s GLN 129 CO 0.00 -1.34 1.08 0.72 -2.12 0.00 0.00 175.29 173.63 2qxf n HIS 130 N -2.12 -2.58 -1.39 0.91 8.25 -1.26 -2.00 115.22 115.04 2qxf n HIS 130 Ca 0.12 0.96 -0.13 0.00 -0.26 0.00 0.00 57.72 58.41 2qxf n HIS 130 Cb 0.51 -4.53 -0.06 0.00 1.12 0.00 0.00 29.99 27.03 2qxf n HIS 130 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2qxf n ASP 131 N -2.94 -4.62 -4.84 0.41 8.00 -1.24 -0.69 116.55 110.62 2qxf n ASP 131 Ca 0.01 0.33 -0.30 0.00 0.71 0.00 0.00 54.79 55.54 2qxf n ASP 131 Cb 0.55 -3.31 0.06 0.00 -0.02 0.00 0.00 41.12 38.41 2qxf n ASP 131 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2qxf s ASN 132 N -2.86 5.07 0.31 -2.24 -0.87 -0.84 -4.31 114.94 109.20 2qxf s ASN 132 Ca 0.00 1.28 -0.12 0.00 -1.57 0.00 0.00 52.86 52.45 2qxf s ASN 132 Cb 0.00 -2.07 0.01 0.00 -0.02 0.00 0.00 41.25 39.17 2qxf s ASN 132 CO 0.00 -1.60 0.57 -0.94 -2.57 0.00 0.00 177.10 172.56 2qxf s SER 133 N -4.09 0.18 0.18 -1.22 1.04 -0.62 -4.20 113.70 104.97 2qxf s SER 133 Ca 0.59 -1.09 0.06 0.00 0.48 0.00 0.00 55.95 55.99 2qxf s SER 133 Cb -0.13 0.68 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 2qxf s SER 133 CO 0.53 -1.33 -0.13 0.00 0.98 0.00 0.00 173.24 173.30 2qxf s ARG 134 N -3.38 1.20 0.29 4.02 1.70 -1.26 -1.03 118.95 120.49 2qxf s ARG 134 Ca 0.22 -1.51 -0.11 0.00 -0.47 0.00 0.00 55.73 53.86 2qxf s ARG 134 Cb -0.02 -0.91 0.00 0.00 -0.57 0.00 0.00 34.95 33.45 2qxf s ARG 134 CO 0.12 0.14 0.52 -0.46 -1.08 0.00 0.00 175.30 174.54 2qxf s TRP 135 N -3.04 0.50 -0.24 5.89 -0.00 -0.88 -4.89 118.94 116.27 2qxf s TRP 135 Ca 0.19 -0.87 -0.09 0.00 -0.00 0.00 0.00 56.10 55.34 2qxf s TRP 135 Cb 0.00 0.21 0.10 0.00 -0.00 0.00 0.00 33.47 33.78 2qxf s TRP 135 CO 0.04 -1.10 0.52 0.34 -0.00 0.00 0.00 176.95 176.74 2qxf s ASP 136 N -3.08 -0.64 0.27 5.86 -1.08 -1.26 -3.67 116.67 113.06 2qxf s ASP 136 Ca 0.23 1.23 0.25 0.00 -0.52 0.00 0.00 52.55 53.75 2qxf s ASP 136 Cb -0.01 1.69 0.94 0.00 -1.46 0.00 0.00 42.92 44.07 2qxf s ASP 136 CO 0.12 -0.23 1.75 -0.07 0.52 0.00 0.00 175.17 177.26 2qxf h LEU 137 N 8.00 0.00 0.03 -1.34 -0.00 -1.55 -3.27 115.31 117.17 2qxf h LEU 137 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2qxf h LEU 137 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2qxf h LEU 137 CO 0.12 0.00 -0.01 0.25 -0.00 0.00 0.00 178.44 178.80 2qxf h LEU 138 N 0.00 -0.03 -0.79 1.67 5.85 -1.91 -0.91 115.31 119.18 2qxf h LEU 138 Ca 0.00 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2qxf h LEU 138 Cb 0.50 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 2qxf h LEU 138 CO 0.00 0.17 -0.06 0.44 -0.34 0.00 0.00 178.44 178.65 2qxf h ASP 139 N -0.23 0.00 -0.15 1.25 3.32 -1.96 -1.46 116.42 117.18 2qxf h ASP 139 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qxf h ASP 139 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2qxf h ASP 139 CO 0.01 0.06 0.09 0.58 -1.72 0.00 0.00 179.24 178.25 2qxf h VAL 140 N 0.00 1.08 -0.56 -1.35 2.07 -1.56 0.95 116.25 116.87 2qxf h VAL 140 Ca -0.00 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2qxf h VAL 140 Cb 0.77 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2qxf h VAL 140 CO 0.01 0.07 0.24 0.24 0.02 0.00 0.00 177.57 178.15 2qxf h MET 141 N 0.17 0.83 -0.68 1.57 2.86 -0.74 -0.59 114.93 118.34 2qxf h MET 141 Ca 0.05 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2qxf h MET 141 Cb 0.04 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2qxf h MET 141 CO -0.01 0.70 0.44 0.00 1.06 0.00 0.00 176.91 179.10 2qxf h ARG 142 N 0.76 0.90 -0.82 1.72 3.08 -1.18 -1.26 114.38 117.58 2qxf h ARG 142 Ca 0.19 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2qxf h ARG 142 Cb 0.17 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 2qxf h ARG 142 CO -0.02 0.60 0.47 0.00 -1.07 0.00 0.00 179.97 179.95 2qxf h ALA 143 N 1.24 1.05 -0.13 0.04 0.00 -0.52 -1.89 119.26 119.07 2qxf h ALA 143 Ca 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qxf h ALA 143 Cb -0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 2qxf h ALA 143 CO -0.05 0.54 0.07 0.00 0.00 0.00 0.00 179.25 179.81 2qxf h TYR 145 N 0.12 0.56 -0.02 0.00 3.20 -1.05 -0.24 116.97 119.54 2qxf h TYR 145 Ca 0.05 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 2qxf h TYR 145 Cb 0.06 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.17 2qxf h TYR 145 CO -0.05 0.29 -0.56 0.00 -1.64 0.00 0.00 178.16 176.20 2qxf h ALA 146 N 1.27 0.10 0.00 1.82 0.00 -1.22 -3.38 119.26 117.85 2qxf h ALA 146 Ca 0.23 -0.55 -0.23 0.00 0.00 0.00 0.00 54.91 54.37 2qxf h ALA 146 Cb 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2qxf h ALA 146 CO -0.14 0.34 -1.85 1.28 0.00 0.00 0.00 179.25 178.89 2qxf n LEU 147 N -4.24 0.07 -3.06 0.00 4.77 0.39 -4.80 117.00 110.14 2qxf n LEU 147 Ca -0.10 -0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.72 2qxf n LEU 147 Cb 0.65 0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 42.02 2qxf n LEU 147 CO 0.46 0.32 -0.09 0.54 -1.33 0.00 0.00 177.39 177.29 2qxf n ARG 148 N -2.47 0.93 0.06 3.23 5.12 -0.21 -4.79 116.66 118.53 2qxf n ARG 148 Ca -0.20 -2.92 0.11 0.00 -1.93 0.00 0.00 57.85 52.90 2qxf n ARG 148 Cb 0.90 -1.46 0.43 0.00 -1.16 0.00 0.00 32.46 31.17 2qxf n ARG 148 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2qxf n PRO 149 N 0.57 0.11 -1.65 5.56 -0.04 -0.54 -4.64 135.00 134.37 2qxf n PRO 149 Ca 0.19 0.27 -0.48 0.00 -0.04 0.00 0.00 63.50 63.44 2qxf n PRO 149 Cb 0.65 -1.68 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 2qxf n PRO 149 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2qxf n GLU 150 N -1.88 1.86 0.00 0.54 2.13 -1.26 -2.87 120.64 119.16 2qxf n GLU 150 Ca 0.04 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.53 2qxf n GLU 150 Cb 0.25 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.56 2qxf n GLU 150 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qxf n GLY 151 N 3.22 1.50 3.53 8.31 0.00 -1.26 -4.83 105.19 115.65 2qxf n GLY 151 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2qxf n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qxf s ILE 152 N -2.34 3.35 -0.12 -0.61 1.01 -1.14 -5.05 121.20 116.30 2qxf s ILE 152 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 60.65 59.67 2qxf s ILE 152 Cb 0.00 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2qxf s ILE 152 CO 0.00 0.52 0.85 0.20 0.00 0.00 0.00 174.94 176.52 2qxf s ASN 153 N -0.98 7.06 -0.47 3.58 0.02 -1.26 -5.04 114.94 117.85 2qxf s ASN 153 Ca 0.13 1.30 -0.06 0.00 -1.02 0.00 0.00 52.86 53.21 2qxf s ASN 153 Cb -0.11 -2.48 0.12 0.00 0.02 0.00 0.00 41.25 38.81 2qxf s ASN 153 CO 0.03 -0.33 0.31 0.26 0.02 0.00 0.00 177.10 177.39 2qxf s TRP 154 N 1.70 3.50 0.51 2.20 0.52 -1.26 -4.73 118.94 121.38 2qxf s TRP 154 Ca 0.42 -2.16 -0.20 0.00 0.02 0.00 0.00 56.10 54.18 2qxf s TRP 154 Cb -0.18 -3.38 -0.07 0.00 -1.15 0.00 0.00 33.47 28.69 2qxf s TRP 154 CO 0.16 -0.97 1.06 -1.25 0.02 0.00 0.00 176.95 175.98 2qxf s PRO 155 N 1.12 3.65 -0.03 4.98 0.04 -1.26 -4.90 135.00 138.59 2qxf s PRO 155 Ca 0.08 1.42 -0.09 0.00 0.04 0.00 0.00 61.00 62.45 2qxf s PRO 155 Cb -0.24 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 2qxf s PRO 155 CO -0.03 -0.57 0.27 -1.21 0.04 0.00 0.00 177.00 175.50 2qxf s GLU 156 N -3.30 3.63 0.85 4.56 2.02 -1.26 -0.82 118.70 124.38 2qxf s GLU 156 Ca 0.69 0.04 -0.14 0.00 0.02 0.00 0.00 54.97 55.57 2qxf s GLU 156 Cb -0.18 -3.14 0.20 0.00 0.10 0.00 0.00 34.13 31.10 2qxf s GLU 156 CO 0.23 0.70 1.13 0.27 0.02 0.00 0.00 175.26 177.61 2qxf n ASN 157 N 1.55 -0.00 0.19 -0.19 0.23 0.45 -4.81 115.26 112.67 2qxf n ASN 157 Ca -0.15 -1.40 0.13 0.00 -0.53 0.00 0.00 54.58 52.64 2qxf n ASN 157 Cb 0.53 -0.87 0.67 0.00 -2.08 0.00 0.00 39.78 38.03 2qxf n ASN 157 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2qxf h ASP 158 N -1.55 0.00 0.15 0.53 3.32 -2.00 -1.00 116.42 115.88 2qxf h ASP 158 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2qxf h ASP 158 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2qxf h ASP 158 CO 0.26 0.00 -0.46 0.47 -1.72 0.00 0.00 179.24 177.79 2qxf n ASP 159 N -2.39 1.30 0.00 6.45 8.00 -1.26 -4.96 116.55 123.69 2qxf n ASP 159 Ca -0.01 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.45 2qxf n ASP 159 Cb 0.07 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2qxf n ASP 159 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qxf n GLY 160 N 1.41 0.59 3.75 0.44 0.00 -0.38 -5.07 105.19 105.93 2qxf n GLY 160 Ca 0.09 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 2qxf n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qxf s LEU 161 N 0.00 3.67 0.28 0.99 1.43 -1.26 -4.88 118.68 118.90 2qxf s LEU 161 Ca 0.00 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 2qxf s LEU 161 Cb 0.00 -2.35 -0.10 0.00 0.03 0.00 0.00 46.19 43.77 2qxf s LEU 161 CO 0.00 0.15 1.45 -2.16 0.23 0.00 0.00 176.35 176.01 2qxf s PRO 162 N -2.55 4.25 -0.13 1.29 0.04 -1.26 -0.41 135.00 136.22 2qxf s PRO 162 Ca 0.28 2.35 -0.09 0.00 0.04 0.00 0.00 61.00 63.59 2qxf s PRO 162 Cb -0.11 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 2qxf s PRO 162 CO 0.21 -0.43 0.17 0.45 0.04 0.00 0.00 177.00 177.44 2qxf s SER 163 N 0.22 6.38 -0.12 6.66 0.15 0.00 -4.76 113.70 122.23 2qxf s SER 163 Ca 0.58 0.45 0.17 0.00 0.70 0.00 0.00 55.95 57.84 2qxf s SER 163 Cb -0.43 -2.10 0.32 0.00 -1.71 0.00 0.00 66.02 62.10 2qxf s SER 163 CO 0.47 0.33 1.20 0.49 1.20 0.00 0.00 173.24 176.92 2qxf n PHE 164 N 2.45 0.22 -1.97 3.44 3.72 -1.26 -4.63 117.46 119.42 2qxf n PHE 164 Ca -0.18 -0.91 -0.42 0.00 -0.05 0.00 0.00 57.45 55.89 2qxf n PHE 164 Cb 0.54 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 2qxf n PHE 164 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2qxf s ARG 165 N -2.64 4.24 0.21 -1.08 1.81 -1.26 -4.91 118.95 115.31 2qxf s ARG 165 Ca 0.31 2.32 -0.10 0.00 -1.72 0.00 0.00 55.73 56.54 2qxf s ARG 165 Cb 0.26 -3.16 0.30 0.00 -0.45 0.00 0.00 34.95 31.90 2qxf s ARG 165 CO 0.04 -0.55 1.69 1.25 -0.68 0.00 0.00 175.30 177.05 2qxf h LEU 166 N 6.46 -0.11 -1.80 2.53 5.85 -1.98 -1.16 115.31 125.10 2qxf h LEU 166 Ca -0.43 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 2qxf h LEU 166 Cb 1.21 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2qxf h LEU 166 CO 0.88 -0.04 0.05 1.05 -0.34 0.00 0.00 178.44 180.04 2qxf h GLU 167 N 0.20 0.18 0.00 1.25 9.09 -1.98 -0.75 114.58 122.56 2qxf h GLU 167 Ca 0.32 -0.01 -0.22 0.00 0.05 0.00 0.00 59.36 59.49 2qxf h GLU 167 Cb 0.50 -0.04 0.02 0.00 -1.65 0.00 0.00 28.75 27.58 2qxf h GLU 167 CO -0.45 0.15 -0.86 0.45 0.05 0.00 0.00 179.01 178.35 2qxf h HIS 168 N 0.18 0.86 -0.37 2.06 3.86 -1.63 -2.85 115.15 117.26 2qxf h HIS 168 Ca 0.05 -0.47 -0.13 0.00 -1.16 0.00 0.00 60.37 58.66 2qxf h HIS 168 Cb 0.04 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 2qxf h HIS 168 CO 0.00 1.30 -0.30 -0.07 0.86 0.00 0.00 177.93 179.72 2qxf h LEU 169 N 0.17 0.82 0.13 2.43 3.38 -0.92 -1.52 115.31 119.80 2qxf h LEU 169 Ca -0.11 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2qxf h LEU 169 Cb 1.54 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2qxf h LEU 169 CO 0.17 1.06 -0.06 0.71 0.09 0.00 0.00 178.44 180.41 2qxf h THR 170 N 0.67 0.98 -0.51 0.22 1.35 -1.25 -2.64 112.91 111.73 2qxf h THR 170 Ca 0.08 -0.47 0.06 0.00 -0.55 0.00 0.00 66.41 65.53 2qxf h THR 170 Cb 0.83 1.28 -0.05 0.00 -1.73 0.00 0.00 68.15 68.48 2qxf h THR 170 CO 0.07 0.11 0.22 0.50 -0.25 0.00 0.00 175.52 176.18 2qxf h LYS 171 N -0.39 0.42 0.00 4.72 1.63 -1.49 -1.03 116.57 120.42 2qxf h LYS 171 Ca -0.02 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2qxf h LYS 171 Cb 0.32 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2qxf h LYS 171 CO 0.03 0.28 -0.07 0.00 -3.45 0.00 0.00 179.45 176.24 2qxf h ALA 172 N 1.31 1.22 -0.20 5.00 0.00 -1.26 -3.01 119.26 122.32 2qxf h ALA 172 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qxf h ALA 172 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qxf h ALA 172 CO -0.20 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.22 2qxf n ASN 173 N -3.49 2.82 -0.47 0.00 3.02 -0.82 -4.69 115.26 111.64 2qxf n ASN 173 Ca -0.02 -2.34 -0.06 0.00 -0.03 0.00 0.00 54.58 52.13 2qxf n ASN 173 Cb 0.19 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 2qxf n ASN 173 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qxf n GLY 174 N -0.18 0.85 3.66 7.41 0.00 -0.65 -5.01 105.19 111.26 2qxf n GLY 174 Ca 0.11 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 2qxf n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qxf s ILE 175 N -2.21 4.95 0.12 -0.61 1.01 -0.49 -5.03 121.20 118.95 2qxf s ILE 175 Ca 0.00 1.40 -0.32 0.00 0.00 0.00 0.00 60.65 61.73 2qxf s ILE 175 Cb 0.00 -4.04 -0.11 0.00 0.01 0.00 0.00 42.46 38.32 2qxf s ILE 175 CO 0.00 0.06 1.79 1.21 0.00 0.00 0.00 174.94 178.00 2qxf n GLU 176 N 5.22 2.66 -2.98 2.79 4.07 -1.26 -4.21 120.64 126.94 2qxf n GLU 176 Ca 0.02 0.96 -0.01 0.00 -0.06 0.00 0.00 57.16 58.07 2qxf n GLU 176 Cb 0.49 -2.83 0.00 0.00 -0.06 0.00 0.00 31.44 29.04 2qxf n GLU 176 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2qxf s HIS 177 N 2.35 -1.56 0.00 4.31 2.46 -1.26 -4.77 115.29 116.81 2qxf s HIS 177 Ca 0.81 -0.12 0.00 0.00 0.47 0.00 0.00 55.06 56.23 2qxf s HIS 177 Cb -0.53 0.30 0.00 0.00 -0.13 0.00 0.00 32.58 32.22 2qxf s HIS 177 CO 0.38 -1.14 0.00 -1.13 -2.47 0.00 0.00 174.74 170.38 2qxf n SER 178 N 3.68 0.00 0.00 9.88 3.41 -1.26 -5.01 113.62 124.33 2qxf n SER 178 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2qxf n SER 178 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2qxf n SER 178 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2qxf n ASP 182 N 0.00 0.00 -0.23 4.04 5.75 -1.26 -5.12 116.55 119.73 2qxf n ASP 182 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.89 2qxf n ASP 182 Cb 0.00 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 40.48 2qxf n ASP 182 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qxf h ALA 183 N 0.00 1.83 -0.01 2.12 0.00 -2.03 -2.48 119.26 118.69 2qxf h ALA 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qxf h ALA 183 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2qxf h ALA 183 CO 0.00 -0.03 -0.10 -1.33 0.00 0.00 0.00 179.25 177.80 2qxf n MET 184 N -4.52 1.16 -0.22 0.00 2.81 -1.26 -4.55 117.12 110.54 2qxf n MET 184 Ca 0.15 -0.58 -0.03 0.00 -1.81 0.00 0.00 57.70 55.43 2qxf n MET 184 Cb 0.40 -1.49 0.08 0.00 -0.71 0.00 0.00 33.22 31.51 2qxf n MET 184 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qxf h ALA 185 N 3.97 0.86 -0.43 3.04 0.00 -1.88 -0.58 119.26 124.23 2qxf h ALA 185 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2qxf h ALA 185 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qxf h ALA 185 CO 0.00 0.07 -0.26 -0.44 0.00 0.00 0.00 179.25 178.62 2qxf h ASP 186 N 0.70 0.98 -0.05 0.00 3.32 -1.82 -0.44 116.42 119.10 2qxf h ASP 186 Ca 0.28 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2qxf h ASP 186 Cb 0.13 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2qxf h ASP 186 CO -0.16 1.19 0.03 0.58 -1.72 0.00 0.00 179.24 179.16 2qxf h VAL 187 N 0.78 1.07 -0.84 -1.35 2.07 -1.76 -1.21 116.25 115.00 2qxf h VAL 187 Ca 0.09 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2qxf h VAL 187 Cb 0.84 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2qxf h VAL 187 CO 0.07 0.06 0.46 1.88 0.02 0.00 0.00 177.57 180.06 2qxf h TYR 188 N 0.01 1.14 -0.94 1.57 0.05 -1.04 -1.78 116.97 115.98 2qxf h TYR 188 Ca 0.02 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.81 2qxf h TYR 188 Cb 0.06 -0.37 -0.05 0.00 1.01 0.00 0.00 36.73 37.38 2qxf h TYR 188 CO -0.05 0.79 0.62 0.00 -1.05 0.00 0.00 178.16 178.47 2qxf h ALA 189 N 1.34 1.38 -0.43 3.88 0.00 -0.93 -1.10 119.26 123.40 2qxf h ALA 189 Ca 0.30 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2qxf h ALA 189 Cb 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2qxf h ALA 189 CO -0.05 0.53 -0.06 1.15 0.00 0.00 0.00 179.25 180.83 2qxf h THR 190 N 1.20 1.27 -0.58 0.00 2.02 -0.62 -1.15 112.91 115.06 2qxf h THR 190 Ca 0.37 -1.14 0.02 0.00 0.77 0.00 0.00 66.41 66.43 2qxf h THR 190 Cb -0.02 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 2qxf h THR 190 CO -0.11 0.39 0.36 0.40 0.37 0.00 0.00 175.52 176.93 2qxf h ILE 191 N 0.63 1.08 -0.86 3.11 2.04 -1.05 -1.92 117.51 120.54 2qxf h ILE 191 Ca 0.11 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2qxf h ILE 191 Cb 0.58 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2qxf h ILE 191 CO 0.03 0.13 0.57 0.00 0.00 0.00 0.00 178.15 178.89 2qxf h ALA 192 N 1.25 1.40 -0.51 1.87 0.00 -0.87 -1.15 119.26 121.24 2qxf h ALA 192 Ca 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2qxf h ALA 192 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2qxf h ALA 192 CO -0.09 0.55 0.24 0.52 0.00 0.00 0.00 179.25 180.47 2qxf h MET 193 N 1.16 0.75 -0.37 0.00 2.86 -0.79 -0.54 114.93 118.00 2qxf h MET 193 Ca 0.32 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2qxf h MET 193 Cb -0.11 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 2qxf h MET 193 CO -0.07 0.63 0.22 0.00 1.06 0.00 0.00 176.91 178.75 2qxf h ALA 194 N 1.08 0.47 -0.62 6.32 0.00 -0.84 -1.75 119.26 123.92 2qxf h ALA 194 Ca 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2qxf h ALA 194 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2qxf h ALA 194 CO -0.02 -0.04 0.18 0.87 0.00 0.00 0.00 179.25 180.24 2qxf h LYS 195 N 0.48 0.95 0.16 0.00 1.57 -1.07 -1.09 116.57 117.57 2qxf h LYS 195 Ca 0.13 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2qxf h LYS 195 Cb -0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2qxf h LYS 195 CO -0.03 0.82 -0.14 1.25 -0.57 0.00 0.00 179.45 180.79 2qxf h LEU 196 N 0.91 -0.38 -0.39 2.94 5.85 -0.65 -0.96 115.31 122.64 2qxf h LEU 196 Ca 0.20 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 2qxf h LEU 196 Cb 0.29 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2qxf h LEU 196 CO -0.01 -0.22 -0.10 0.58 -0.34 0.00 0.00 178.44 178.35 2qxf h VAL 197 N -0.32 1.28 -0.93 1.05 2.07 -1.24 -0.53 116.25 117.62 2qxf h VAL 197 Ca -0.00 -1.19 0.07 0.00 0.82 0.00 0.00 66.70 66.40 2qxf h VAL 197 Cb 0.30 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 2qxf h VAL 197 CO -0.03 0.40 0.60 0.50 0.02 0.00 0.00 177.57 179.06 2qxf h LYS 198 N 0.55 1.02 0.14 1.57 3.64 -1.07 0.19 116.57 122.61 2qxf h LYS 198 Ca 0.10 -0.06 -0.29 0.00 -1.27 0.00 0.00 60.65 59.13 2qxf h LYS 198 Cb 0.62 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2qxf h LYS 198 CO 0.04 0.67 -1.35 1.79 -2.27 0.00 0.00 179.45 178.34 2qxf h THR 199 N 1.05 1.38 0.00 1.00 1.35 -0.99 -3.25 112.91 113.45 2qxf h THR 199 Ca 0.41 -2.96 -0.26 0.00 -0.55 0.00 0.00 66.41 63.04 2qxf h THR 199 Cb 0.22 2.90 -0.05 0.00 -1.73 0.00 0.00 68.15 69.49 2qxf h THR 199 CO -0.16 0.86 -2.02 0.54 -0.25 0.00 0.00 175.52 174.50 2qxf n ARG 200 N -3.52 0.66 -3.24 4.72 1.74 -0.22 -4.52 116.66 112.28 2qxf n ARG 200 Ca -0.11 0.06 -0.24 0.00 -0.77 0.00 0.00 57.85 56.78 2qxf n ARG 200 Cb 1.04 -1.63 -0.07 0.00 -1.02 0.00 0.00 32.46 30.79 2qxf n ARG 200 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2qxf n GLN 201 N -2.76 1.57 -0.24 5.56 1.13 0.65 -4.93 117.38 118.37 2qxf n GLN 201 Ca -0.21 -3.87 -0.05 0.00 -1.94 0.00 0.00 57.00 50.93 2qxf n GLN 201 Cb 0.99 -1.71 0.05 0.00 0.11 0.00 0.00 30.24 29.68 2qxf n GLN 201 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 2qxf h PRO 202 N 3.83 0.89 -0.20 -1.09 0.11 -1.66 -0.07 132.00 133.81 2qxf h PRO 202 Ca 0.12 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.97 2qxf h PRO 202 Cb 0.79 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.70 2qxf h PRO 202 CO 0.62 0.60 -0.69 0.00 -0.21 0.00 0.00 178.00 178.32 2qxf h ARG 203 N 0.91 0.80 -0.69 1.05 2.47 -1.92 -1.87 114.38 115.13 2qxf h ARG 203 Ca 0.25 -0.59 -0.01 0.00 -1.26 0.00 0.00 59.98 58.37 2qxf h ARG 203 Cb -0.10 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 2qxf h ARG 203 CO -0.05 1.21 0.41 1.25 0.56 0.00 0.00 179.97 183.35 2qxf h LEU 204 N 0.57 0.84 -0.22 3.04 5.85 -1.90 -0.93 115.31 122.56 2qxf h LEU 204 Ca -0.03 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.65 2qxf h LEU 204 Cb 1.30 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 2qxf h LEU 204 CO 0.14 0.66 0.04 0.15 -0.34 0.00 0.00 178.44 179.10 2qxf h PHE 205 N 0.95 0.06 -0.04 1.25 3.57 -0.84 0.59 116.94 122.48 2qxf h PHE 205 Ca 0.25 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 2qxf h PHE 205 Cb -0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2qxf h PHE 205 CO -0.01 0.02 -0.37 0.22 -2.23 0.00 0.00 178.31 175.94 2qxf h ASP 206 N 0.12 0.08 0.00 0.41 3.58 -1.17 -0.54 116.42 118.91 2qxf h ASP 206 Ca 0.10 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2qxf h ASP 206 Cb 0.10 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2qxf h ASP 206 CO -0.14 0.45 -0.00 0.22 -2.88 0.00 0.00 179.24 176.88 2qxf h TYR 207 N 0.07 -0.01 -0.64 0.28 3.20 -0.74 -2.27 116.97 116.86 2qxf h TYR 207 Ca 0.01 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 2qxf h TYR 207 Cb 0.69 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 2qxf h TYR 207 CO 0.00 0.32 0.14 -0.07 -1.64 0.00 0.00 178.16 176.92 2qxf h LEU 208 N -0.33 0.99 0.05 2.82 3.38 -0.67 -1.00 115.31 120.53 2qxf h LEU 208 Ca -0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2qxf h LEU 208 Cb 0.33 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2qxf h LEU 208 CO 0.00 0.97 -0.02 0.15 0.09 0.00 0.00 178.44 179.63 2qxf h PHE 209 N 0.95 -0.06 -0.14 1.13 3.57 -1.15 -2.40 116.94 118.84 2qxf h PHE 209 Ca 0.20 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 2qxf h PHE 209 Cb 0.38 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2qxf h PHE 209 CO 0.03 0.03 -0.10 1.79 -2.23 0.00 0.00 178.31 177.83 2qxf h THR 210 N -0.14 1.16 -0.15 4.41 1.35 -1.25 -2.33 112.91 115.95 2qxf h THR 210 Ca -0.01 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2qxf h THR 210 Cb 0.12 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2qxf h THR 210 CO 0.01 0.21 0.00 1.41 -0.25 0.00 0.00 175.52 176.90 2qxf n HIS 211 N -4.31 0.20 0.30 4.73 8.25 -0.39 -3.32 115.22 120.68 2qxf n HIS 211 Ca -0.01 -0.10 0.17 0.00 -0.26 0.00 0.00 57.72 57.52 2qxf n HIS 211 Cb 0.24 0.00 0.94 0.00 1.12 0.00 0.00 29.99 32.29 2qxf n HIS 211 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2qxf h ARG 212 N 1.31 0.00 -6.33 -0.41 0.11 -0.90 -3.42 114.38 104.74 2qxf h ARG 212 Ca 0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 2qxf h ARG 212 Cb 0.29 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.34 2qxf h ARG 212 CO 0.00 0.04 0.49 1.21 0.10 0.00 0.00 179.97 181.81 2qxf s ASN 213 N -5.80 7.28 0.46 0.08 3.84 -1.21 -4.60 114.94 115.00 2qxf s ASN 213 Ca -0.04 1.61 0.11 0.00 0.21 0.00 0.00 52.86 54.76 2qxf s ASN 213 Cb 0.13 -2.56 1.03 0.00 -0.55 0.00 0.00 41.25 39.30 2qxf s ASN 213 CO 0.51 -0.38 2.08 0.07 -2.79 0.00 0.00 177.10 176.60 2qxf h LYS 214 N 6.98 0.27 -0.23 0.43 2.10 -1.84 -2.25 116.57 122.04 2qxf h LYS 214 Ca -0.36 -0.02 -0.16 0.00 -2.00 0.00 0.00 60.65 58.11 2qxf h LYS 214 Cb 1.18 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2qxf h LYS 214 CO 0.81 0.20 -0.51 0.45 -2.00 0.00 0.00 179.45 178.41 2qxf h HIS 215 N 0.28 0.79 -0.69 0.07 3.86 -1.93 0.10 115.15 117.63 2qxf h HIS 215 Ca 0.07 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 2qxf h HIS 215 Cb 0.01 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 2qxf h HIS 215 CO 0.00 1.01 0.38 0.87 0.86 0.00 0.00 177.93 181.06 2qxf h LYS 216 N 0.50 0.97 -0.32 2.45 1.79 -1.78 -2.32 116.57 117.86 2qxf h LYS 216 Ca 0.02 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2qxf h LYS 216 Cb 1.06 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 2qxf h LYS 216 CO 0.10 0.72 0.13 -0.07 -1.08 0.00 0.00 179.45 179.26 2qxf h LEU 217 N 0.95 0.45 -0.89 2.94 3.38 -1.22 -3.00 115.31 117.92 2qxf h LEU 217 Ca 0.24 -0.16 0.21 0.00 0.09 0.00 0.00 57.88 58.26 2qxf h LEU 217 Cb 0.03 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 40.55 2qxf h LEU 217 CO -0.04 0.48 0.40 0.24 0.09 0.00 0.00 178.44 179.61 2qxf h MET 218 N 0.38 0.42 0.00 1.13 2.86 -0.64 -1.66 114.93 117.43 2qxf h MET 218 Ca 0.11 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2qxf h MET 218 Cb 0.17 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2qxf h MET 218 CO -0.01 0.28 -0.02 0.00 1.06 0.00 0.00 176.91 178.22 2qxf h ALA 219 N 1.68 1.48 0.00 6.32 0.00 -1.27 -1.49 119.26 125.99 2qxf h ALA 219 Ca 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2qxf h ALA 219 Cb 1.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2qxf h ALA 219 CO -0.50 0.03 0.00 -0.07 0.00 0.00 0.00 179.25 178.71 2qxf h LEU 220 N 0.00 0.00 -9.01 0.00 3.38 -1.35 -3.45 115.31 104.88 2qxf h LEU 220 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 2qxf h LEU 220 Cb 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 2qxf h LEU 220 CO 0.00 0.00 0.33 -0.63 0.09 0.00 0.00 178.44 178.23 2qxf s ILE 221 N -3.22 4.90 -0.44 1.22 -1.09 -0.56 -4.98 121.20 117.02 2qxf s ILE 221 Ca 0.07 1.34 0.02 0.00 -2.23 0.00 0.00 60.65 59.86 2qxf s ILE 221 Cb 0.08 -4.04 0.14 0.00 -1.58 0.00 0.00 42.46 37.06 2qxf s ILE 221 CO 0.62 -0.04 0.25 -0.62 -1.23 0.00 0.00 174.94 173.92 2qxf s ASP 222 N 1.42 3.49 0.03 3.58 -1.08 -1.26 -5.02 116.67 117.83 2qxf s ASP 222 Ca 0.31 -2.66 -0.25 0.00 -0.52 0.00 0.00 52.55 49.43 2qxf s ASP 222 Cb -0.15 -0.95 -0.18 0.00 -1.46 0.00 0.00 42.92 40.18 2qxf s ASP 222 CO 0.08 -0.26 1.47 0.58 0.52 0.00 0.00 175.17 177.57 2qxf h VAL 223 N 5.14 1.14 -0.98 1.11 2.07 -1.94 -1.21 116.25 121.58 2qxf h VAL 223 Ca 0.02 -0.59 0.15 0.00 0.82 0.00 0.00 66.70 67.11 2qxf h VAL 223 Cb 0.92 1.53 -0.09 0.00 -1.52 0.00 0.00 31.29 32.14 2qxf h VAL 223 CO 0.46 0.15 0.61 -0.65 0.02 0.00 0.00 177.57 178.16 2qxf h PRO 224 N -0.32 0.80 -0.00 1.57 0.11 -1.93 -1.36 132.00 130.88 2qxf h PRO 224 Ca -0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2qxf h PRO 224 Cb 0.29 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.22 2qxf h PRO 224 CO 0.01 0.53 -0.26 1.04 -0.21 0.00 0.00 178.00 179.11 2qxf n GLN 225 N -4.64 0.23 -4.06 1.05 1.13 -1.19 -4.95 117.38 104.94 2qxf n GLN 225 Ca 0.20 -0.10 -0.27 0.00 -1.94 0.00 0.00 57.00 54.89 2qxf n GLN 225 Cb 0.47 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.28 2qxf n GLN 225 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 2qxf n MET 226 N -1.30 -2.66 -1.90 -1.09 2.81 -0.51 -4.83 117.12 107.63 2qxf n MET 226 Ca 0.08 0.32 -0.42 0.00 -1.81 0.00 0.00 57.70 55.87 2qxf n MET 226 Cb 0.32 -4.30 -0.03 0.00 -0.71 0.00 0.00 33.22 28.51 2qxf n MET 226 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2qxf s LYS 227 N -6.79 4.18 0.44 0.03 2.20 -0.57 -4.67 119.74 114.56 2qxf s LYS 227 Ca 0.03 2.35 -0.24 0.00 -0.36 0.00 0.00 55.97 57.75 2qxf s LYS 227 Cb -0.02 -3.78 -0.08 0.00 -1.51 0.00 0.00 37.83 32.45 2qxf s LYS 227 CO 0.92 -0.80 1.16 -1.25 -0.36 0.00 0.00 175.35 175.03 2qxf s PRO 228 N 3.27 3.84 0.09 4.03 0.04 -1.26 -4.35 135.00 140.66 2qxf s PRO 228 Ca 0.76 1.79 0.04 0.00 0.04 0.00 0.00 61.00 63.63 2qxf s PRO 228 Cb -0.39 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 2qxf s PRO 228 CO 0.33 -0.48 -0.11 -0.51 0.04 0.00 0.00 177.00 176.27 2qxf s LEU 229 N -2.88 2.37 0.01 -3.56 1.43 0.01 -3.71 118.68 112.35 2qxf s LEU 229 Ca 0.62 -0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 52.75 2qxf s LEU 229 Cb -0.29 -0.34 -0.05 0.00 0.03 0.00 0.00 46.19 45.53 2qxf s LEU 229 CO 0.36 -0.22 0.61 0.54 0.23 0.00 0.00 176.35 177.87 2qxf s VAL 230 N -2.13 4.88 -0.08 -1.59 0.11 0.15 -0.43 120.40 121.32 2qxf s VAL 230 Ca 0.03 1.28 0.02 0.00 -2.93 0.00 0.00 61.98 60.38 2qxf s VAL 230 Cb -0.05 -3.95 0.01 0.00 -1.53 0.00 0.00 36.38 30.87 2qxf s VAL 230 CO 0.01 0.42 -0.13 -2.28 -3.33 0.00 0.00 175.10 169.79 2qxf s HIS 231 N -0.25 1.57 -0.21 1.54 2.46 -0.54 -1.34 115.29 118.53 2qxf s HIS 231 Ca 0.32 -0.63 -0.04 0.00 0.47 0.00 0.00 55.06 55.17 2qxf s HIS 231 Cb -0.19 -1.16 -0.02 0.00 -0.13 0.00 0.00 32.58 31.09 2qxf s HIS 231 CO 0.18 -0.33 -0.02 0.08 -2.47 0.00 0.00 174.74 172.17 2qxf s VAL 232 N 0.79 3.65 -0.15 0.89 1.01 -0.92 -1.90 120.40 123.77 2qxf s VAL 232 Ca -0.12 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 2qxf s VAL 232 Cb -0.15 -2.65 0.05 0.00 0.00 0.00 0.00 36.38 33.62 2qxf s VAL 232 CO 0.02 0.42 0.39 -0.55 0.00 0.00 0.00 175.10 175.39 2qxf s SER 233 N 1.24 -0.44 0.47 3.32 0.15 0.11 -4.01 113.70 114.54 2qxf s SER 233 Ca 0.03 0.81 0.25 0.00 0.70 0.00 0.00 55.95 57.74 2qxf s SER 233 Cb -0.14 0.77 1.29 0.00 -1.71 0.00 0.00 66.02 66.22 2qxf s SER 233 CO -0.00 -0.16 1.85 1.23 1.20 0.00 0.00 173.24 177.37 2qxf h GLY 234 N 6.15 0.50 1.79 9.45 0.00 -1.98 -2.10 103.07 116.88 2qxf h GLY 234 Ca -0.31 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 46.94 2qxf h GLY 234 CO 0.28 -0.02 0.11 0.00 0.00 0.00 0.00 176.54 176.90 2qxf h MET 235 N 0.20 0.13 0.00 4.80 -0.00 -1.96 -2.70 114.93 115.41 2qxf h MET 235 Ca 0.48 -0.01 -0.09 0.00 -0.00 0.00 0.00 59.70 60.08 2qxf h MET 235 Cb 1.52 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 33.08 2qxf h MET 235 CO -0.11 0.09 -0.43 0.74 -0.00 0.00 0.00 176.91 177.20 2qxf h PHE 236 N 0.13 0.00 0.00 -0.10 0.04 -1.65 -3.49 116.94 111.88 2qxf h PHE 236 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2qxf h PHE 236 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 2qxf h PHE 236 CO -0.00 0.43 0.00 0.41 -0.60 0.00 0.00 178.31 178.55 2qxf n GLY 237 N -0.24 2.24 0.29 -1.45 0.00 -1.02 -4.71 105.19 100.30 2qxf n GLY 237 Ca -0.02 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.57 2qxf n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxf h ALA 238 N 0.00 1.80 -0.01 4.61 0.00 -1.92 0.16 119.26 123.90 2qxf h ALA 238 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qxf h ALA 238 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qxf h ALA 238 CO 0.00 -0.05 0.01 0.11 0.00 0.00 0.00 179.25 179.32 2qxf h TRP 239 N 0.00 0.00 0.00 0.00 5.08 -1.95 -0.82 115.95 118.26 2qxf h TRP 239 Ca 0.02 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.99 2qxf h TRP 239 Cb 0.08 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.24 2qxf h TRP 239 CO 0.00 0.00 -0.46 2.89 -1.28 0.00 0.00 178.44 179.59 2qxf n ARG 240 N -3.63 1.56 -2.91 0.12 1.85 -0.94 -4.90 116.66 107.82 2qxf n ARG 240 Ca -0.03 -3.24 -0.20 0.00 -1.00 0.00 0.00 57.85 53.38 2qxf n ARG 240 Cb 0.09 -1.61 0.01 0.00 -1.05 0.00 0.00 32.46 29.90 2qxf n ARG 240 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qxf n GLY 241 N -1.15 -0.50 2.39 2.89 0.00 -0.31 -2.25 105.19 106.26 2qxf n GLY 241 Ca 0.19 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 2qxf n GLY 241 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qxf n ASN 242 N -2.20 -4.99 -4.13 1.61 4.13 0.50 -4.58 115.26 105.61 2qxf n ASN 242 Ca -0.11 0.19 -0.22 0.00 1.68 0.00 0.00 54.58 56.12 2qxf n ASN 242 Cb 0.60 -4.27 -0.15 0.00 -1.54 0.00 0.00 39.78 34.42 2qxf n ASN 242 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2qxf s THR 243 N -2.75 1.14 0.25 3.41 2.01 -0.95 0.04 115.64 118.79 2qxf s THR 243 Ca 0.00 -0.74 -0.10 0.00 0.31 0.00 0.00 61.69 61.17 2qxf s THR 243 Cb 0.00 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 2qxf s THR 243 CO 0.00 0.23 0.42 -0.55 -0.69 0.00 0.00 174.62 174.03 2qxf s SER 244 N -0.58 0.06 -0.09 3.53 0.15 -0.80 -4.94 113.70 111.03 2qxf s SER 244 Ca 0.05 -1.08 -0.18 0.00 0.70 0.00 0.00 55.95 55.44 2qxf s SER 244 Cb -0.06 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 2qxf s SER 244 CO 0.00 -1.11 0.48 0.26 1.20 0.00 0.00 173.24 174.07 2qxf s TRP 245 N -3.92 3.55 0.20 3.44 0.51 -1.26 -1.47 118.94 120.00 2qxf s TRP 245 Ca 0.26 0.93 0.08 0.00 -2.12 0.00 0.00 56.10 55.26 2qxf s TRP 245 Cb 0.01 -2.53 -0.05 0.00 -0.81 0.00 0.00 33.47 30.09 2qxf s TRP 245 CO 0.11 0.23 -0.16 0.14 -0.51 0.00 0.00 176.95 176.76 2qxf s VAL 246 N 0.37 1.84 -0.03 4.03 -7.23 0.43 -1.38 120.40 118.43 2qxf s VAL 246 Ca 0.26 -2.16 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 2qxf s VAL 246 Cb -0.16 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2qxf s VAL 246 CO 0.11 -0.50 -0.10 0.00 -0.31 0.00 0.00 175.10 174.30 2qxf s ALA 247 N -2.68 0.91 0.05 1.32 0.00 -0.47 -0.81 121.76 120.08 2qxf s ALA 247 Ca 0.22 -0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 2qxf s ALA 247 Cb -0.03 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 2qxf s ALA 247 CO 0.08 0.15 1.08 -1.25 0.00 0.00 0.00 175.76 175.82 2qxf s PRO 248 N 0.17 4.52 -0.25 0.00 0.04 -1.26 -0.82 135.00 137.40 2qxf s PRO 248 Ca -0.03 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.66 2qxf s PRO 248 Cb -0.09 -3.39 -0.19 0.00 0.04 0.00 0.00 34.50 30.87 2qxf s PRO 248 CO 0.01 -0.11 -0.16 1.28 0.04 0.00 0.00 177.00 178.06 2qxf n LEU 249 N 3.70 2.30 -3.65 -3.56 4.77 0.29 -4.44 117.00 116.41 2qxf n LEU 249 Ca 0.07 -0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 55.93 2qxf n LEU 249 Cb 0.49 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 2qxf n LEU 249 CO 0.54 0.84 0.93 0.00 -1.33 0.00 0.00 177.39 178.37 2qxf s ALA 250 N -2.51 -2.03 0.07 -1.18 0.00 -1.21 -4.71 121.76 110.19 2qxf s ALA 250 Ca -0.29 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 2qxf s ALA 250 Cb 0.08 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2qxf s ALA 250 CO 0.65 -0.97 0.23 -1.58 0.00 0.00 0.00 175.76 174.09 2qxf s TRP 251 N -2.71 3.51 0.25 0.00 0.52 -1.26 -0.12 118.94 119.12 2qxf s TRP 251 Ca 0.12 0.28 -0.31 0.00 0.02 0.00 0.00 56.10 56.22 2qxf s TRP 251 Cb 0.02 -1.79 -0.12 0.00 -1.15 0.00 0.00 33.47 30.43 2qxf s TRP 251 CO -0.03 0.57 1.59 1.58 0.02 0.00 0.00 176.95 180.69 2qxf n HIS 252 N 0.27 2.63 -0.10 -1.98 -0.00 0.29 -4.85 115.22 111.48 2qxf n HIS 252 Ca -0.05 0.23 0.17 0.00 0.46 0.00 0.00 57.72 58.53 2qxf n HIS 252 Cb 0.51 -2.58 0.57 0.00 -0.12 0.00 0.00 29.99 28.36 2qxf n HIS 252 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2qxf h PRO 253 N 5.32 0.27 0.00 1.57 0.11 -1.95 -3.37 132.00 133.95 2qxf h PRO 253 Ca -0.45 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 2qxf h PRO 253 Cb 1.23 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2qxf h PRO 253 CO 0.84 0.18 -1.01 0.39 -0.21 0.00 0.00 178.00 178.19 2qxf n GLU 254 N -4.44 0.24 -2.33 1.05 4.71 -1.26 -4.98 120.64 113.63 2qxf n GLU 254 Ca 0.12 0.10 -0.42 0.00 -0.01 0.00 0.00 57.16 56.95 2qxf n GLU 254 Cb 0.54 -0.92 -0.02 0.00 -1.01 0.00 0.00 31.44 30.02 2qxf n GLU 254 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2qxf s ASN 255 N -6.02 6.17 0.48 1.62 3.84 -1.26 -4.90 114.94 114.86 2qxf s ASN 255 Ca -0.15 0.60 0.15 0.00 0.21 0.00 0.00 52.86 53.68 2qxf s ASN 255 Cb 0.04 -2.54 1.14 0.00 -0.55 0.00 0.00 41.25 39.34 2qxf s ASN 255 CO 0.20 -1.61 2.07 -0.09 -2.79 0.00 0.00 177.10 174.87 2qxf h ARG 256 N 11.20 0.22 -0.01 0.43 2.43 -1.94 -2.66 114.38 124.05 2qxf h ARG 256 Ca -0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2qxf h ARG 256 Cb 1.11 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2qxf h ARG 256 CO 1.13 0.14 -0.08 0.09 -1.51 0.00 0.00 179.97 179.75 2qxf n ASN 257 N -4.48 1.47 -4.44 -3.80 3.02 -1.26 -4.93 115.26 100.84 2qxf n ASN 257 Ca 0.03 -1.37 -0.35 0.00 -0.03 0.00 0.00 54.58 52.86 2qxf n ASN 257 Cb 0.23 0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 39.31 2qxf n ASN 257 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qxf s ALA 258 N -2.14 3.05 -0.10 5.41 0.00 -1.00 -0.72 121.76 126.25 2qxf s ALA 258 Ca 0.33 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 2qxf s ALA 258 Cb 0.20 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2qxf s ALA 258 CO 0.39 -0.25 0.07 0.54 0.00 0.00 0.00 175.76 176.51 2qxf s VAL 259 N 1.17 4.91 -0.40 0.00 0.11 -0.10 -0.55 120.40 125.55 2qxf s VAL 259 Ca 0.03 -0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 58.87 2qxf s VAL 259 Cb -0.14 -3.11 0.01 0.00 -1.53 0.00 0.00 36.38 31.61 2qxf s VAL 259 CO 0.02 0.61 0.56 -0.63 -3.33 0.00 0.00 175.10 172.33 2qxf s ILE 260 N -0.94 4.94 0.04 7.04 1.01 0.82 -0.85 121.20 133.26 2qxf s ILE 260 Ca 0.14 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.91 2qxf s ILE 260 Cb -0.12 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2qxf s ILE 260 CO 0.03 -0.44 0.10 -0.04 0.00 0.00 0.00 174.94 174.60 2qxf s MET 261 N 2.55 3.06 -0.15 2.79 -1.94 0.11 -0.55 119.30 125.17 2qxf s MET 261 Ca 0.19 -0.56 -0.06 0.00 -1.71 0.00 0.00 55.69 53.55 2qxf s MET 261 Cb -0.15 -2.84 -0.04 0.00 2.01 0.00 0.00 34.83 33.81 2qxf s MET 261 CO 0.16 0.61 0.05 0.54 -0.01 0.00 0.00 175.02 176.37 2qxf s VAL 262 N -1.33 4.71 -0.50 -6.03 0.11 -0.00 -1.21 120.40 116.15 2qxf s VAL 262 Ca 0.28 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.97 2qxf s VAL 262 Cb -0.12 -3.08 0.02 0.00 -1.53 0.00 0.00 36.38 31.67 2qxf s VAL 262 CO 0.20 0.51 1.24 -0.62 -3.33 0.00 0.00 175.10 173.10 2qxf s ASP 263 N -0.06 6.47 0.59 3.54 2.15 -0.17 -1.37 116.67 127.82 2qxf s ASP 263 Ca 0.06 0.44 0.38 0.00 0.43 0.00 0.00 52.55 53.86 2qxf s ASP 263 Cb -0.12 -2.55 1.75 0.00 -0.30 0.00 0.00 42.92 41.70 2qxf s ASP 263 CO 0.01 -1.40 2.13 -0.07 -0.17 0.00 0.00 175.17 175.67 2qxf h LEU 264 N 11.81 0.00 -0.24 -1.34 3.38 -1.54 -1.91 115.31 125.47 2qxf h LEU 264 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2qxf h LEU 264 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2qxf h LEU 264 CO 1.14 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.67 2qxf n ALA 265 N -2.09 2.05 -1.00 1.53 0.00 -1.26 -3.84 120.51 115.90 2qxf n ALA 265 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qxf n ALA 265 Cb 0.22 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2qxf n ALA 265 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qxf n GLY 266 N 0.82 -1.24 3.39 0.00 0.00 -0.72 -4.95 105.19 102.49 2qxf n GLY 266 Ca 0.04 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 2qxf n GLY 266 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qxf s ASP 267 N -1.05 5.82 0.00 1.61 2.15 -1.26 -4.97 116.67 118.97 2qxf s ASP 267 Ca 0.00 -1.01 0.27 0.00 0.43 0.00 0.00 52.55 52.24 2qxf s ASP 267 Cb 0.00 -2.05 0.97 0.00 -0.30 0.00 0.00 42.92 41.54 2qxf s ASP 267 CO 0.00 -0.42 1.70 2.30 -0.17 0.00 0.00 175.17 178.58 2qxf n ILE 268 N 5.03 0.00 -0.17 4.11 -5.35 -1.26 -4.34 119.36 117.39 2qxf n ILE 268 Ca -0.12 -0.11 -0.03 0.00 -0.27 0.00 0.00 62.75 62.23 2qxf n ILE 268 Cb 0.46 0.20 0.03 0.00 -1.74 0.00 0.00 39.64 38.59 2qxf n ILE 268 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2qxf h SER 269 N 1.00 -0.65 -0.12 7.28 0.02 -1.94 -1.49 113.55 117.65 2qxf h SER 269 Ca 0.00 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2qxf h SER 269 Cb 0.44 0.39 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 2qxf h SER 269 CO 0.00 -0.22 -0.03 -0.65 -1.14 0.00 0.00 176.83 174.79 2qxf h PRO 270 N -0.06 0.36 -0.40 3.45 0.11 -1.89 -0.56 132.00 133.00 2qxf h PRO 270 Ca 0.25 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.22 2qxf h PRO 270 Cb 0.44 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 2qxf h PRO 270 CO -0.57 0.42 -0.05 1.25 -0.21 0.00 0.00 178.00 178.84 2qxf h LEU 271 N 0.35 0.65 0.16 2.35 5.85 -1.68 -1.55 115.31 121.43 2qxf h LEU 271 Ca 0.08 -0.16 -0.30 0.00 0.84 0.00 0.00 57.88 58.33 2qxf h LEU 271 Cb 0.29 -0.17 0.03 0.00 0.37 0.00 0.00 40.66 41.18 2qxf h LEU 271 CO 0.01 0.75 -1.28 -0.07 -0.34 0.00 0.00 178.44 177.51 2qxf h LEU 272 N 0.63 0.85 0.07 2.25 3.38 -0.88 -3.41 115.31 118.20 2qxf h LEU 272 Ca 0.12 -0.86 -0.27 0.00 0.09 0.00 0.00 57.88 56.97 2qxf h LEU 272 Cb 0.47 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2qxf h LEU 272 CO 0.02 1.63 -1.43 -0.33 0.09 0.00 0.00 178.44 178.42 2qxf h GLU 273 N 0.20 0.15 -7.02 1.13 5.08 -1.14 -3.48 114.58 109.50 2qxf h GLU 273 Ca -0.21 -0.25 -0.48 0.00 -1.00 0.00 0.00 59.36 57.42 2qxf h GLU 273 Cb 1.97 0.09 0.01 0.00 0.50 0.00 0.00 28.75 31.32 2qxf h GLU 273 CO 0.24 1.12 0.25 -0.51 -1.00 0.00 0.00 179.01 179.12 2qxf s LEU 274 N -7.58 3.73 0.00 1.33 1.43 -0.59 -5.09 118.68 111.92 2qxf s LEU 274 Ca -0.24 1.37 0.14 0.00 -1.03 0.00 0.00 54.13 54.38 2qxf s LEU 274 Cb 0.05 -4.28 0.86 0.00 0.03 0.00 0.00 46.19 42.86 2qxf s LEU 274 CO 0.70 -0.49 1.30 -0.90 0.23 0.00 0.00 176.35 177.19 2qxf n ASP 275 N -1.40 0.00 -4.55 2.29 5.75 -1.26 -4.86 116.55 112.51 2qxf n ASP 275 Ca 0.05 -0.71 -0.49 0.00 -0.01 0.00 0.00 54.79 53.62 2qxf n ASP 275 Cb 0.54 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.59 2qxf n ASP 275 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qxf n ALA 295 N -0.89 -1.23 -2.61 2.12 0.00 -1.26 -5.11 120.51 111.54 2qxf n ALA 295 Ca 0.11 0.47 -0.43 0.00 0.00 0.00 0.00 53.44 53.59 2qxf n ALA 295 Cb 0.05 -1.96 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 2qxf n ALA 295 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qxf s VAL 296 N -0.30 4.37 -1.45 0.00 1.01 -1.26 -4.69 120.40 118.08 2qxf s VAL 296 Ca 0.73 1.34 -0.08 0.00 0.00 0.00 0.00 61.98 63.97 2qxf s VAL 296 Cb -0.89 -4.50 0.04 0.00 0.00 0.00 0.00 36.38 31.03 2qxf s VAL 296 CO 0.53 -0.77 2.59 -0.81 0.00 0.00 0.00 175.10 176.64 2qxf n PRO 297 N 7.35 4.13 -4.62 2.72 -0.04 -1.26 -4.86 135.00 138.43 2qxf n PRO 297 Ca 0.11 -2.93 -0.24 0.00 -0.04 0.00 0.00 63.50 60.40 2qxf n PRO 297 Cb 0.48 -2.74 -0.16 0.00 -0.04 0.00 0.00 33.50 31.04 2qxf n PRO 297 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2qxf s VAL 298 N 0.41 1.15 0.04 0.52 1.01 -1.26 -1.00 120.40 121.26 2qxf s VAL 298 Ca 0.59 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 2qxf s VAL 298 Cb 0.18 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2qxf s VAL 298 CO -0.08 0.35 0.02 -1.59 0.00 0.00 0.00 175.10 173.80 2qxf s LYS 299 N 0.34 0.53 -0.03 2.72 -2.85 -0.35 -4.99 119.74 115.11 2qxf s LYS 299 Ca -0.08 -0.90 -0.19 0.00 -1.00 0.00 0.00 55.97 53.80 2qxf s LYS 299 Cb -0.13 0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 35.79 2qxf s LYS 299 CO 0.02 -0.11 0.54 -0.51 0.10 0.00 0.00 175.35 175.39 2qxf s LEU 300 N -2.27 4.39 -0.21 2.77 1.43 -1.26 -0.72 118.68 122.81 2qxf s LEU 300 Ca -0.03 1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 54.10 2qxf s LEU 300 Cb 0.00 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.41 2qxf s LEU 300 CO -0.06 0.11 -0.09 -0.69 0.23 0.00 0.00 176.35 175.86 2qxf s VAL 301 N -0.14 2.96 -0.44 -1.59 1.01 -0.03 -4.96 120.40 117.21 2qxf s VAL 301 Ca 0.29 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 2qxf s VAL 301 Cb -0.17 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 33.91 2qxf s VAL 301 CO 0.15 0.43 0.35 -1.00 0.00 0.00 0.00 175.10 175.03 2qxf s HIS 302 N 1.41 3.24 -0.23 5.22 0.09 -1.26 -0.92 115.29 122.85 2qxf s HIS 302 Ca 0.05 -0.74 0.27 0.00 -0.00 0.00 0.00 55.06 54.64 2qxf s HIS 302 Cb -0.14 -2.86 1.19 0.00 -0.00 0.00 0.00 32.58 30.77 2qxf s HIS 302 CO -0.06 -0.69 1.82 -0.84 -0.00 0.00 0.00 174.74 174.97 2qxf h ILE 303 N 5.69 0.00 -0.01 0.60 3.07 -1.33 -1.16 117.51 124.37 2qxf h ILE 303 Ca -0.28 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 65.87 2qxf h ILE 303 Cb 1.12 1.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.72 2qxf h ILE 303 CO 0.80 0.00 -0.00 -0.46 -1.05 0.00 0.00 178.15 177.43 2qxf n ASN 304 N -2.52 1.20 -1.55 2.16 6.94 -1.26 -4.20 115.26 116.03 2qxf n ASN 304 Ca 0.01 -1.39 -0.12 0.00 -0.02 0.00 0.00 54.58 53.06 2qxf n ASN 304 Cb 0.22 0.00 0.19 0.00 -2.36 0.00 0.00 39.78 37.83 2qxf n ASN 304 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2qxf n LYS 305 N -0.07 2.01 -4.11 -3.83 4.76 -0.44 -4.98 118.16 111.50 2qxf n LYS 305 Ca 0.20 -3.16 -0.29 0.00 -2.87 0.00 0.00 58.31 52.19 2qxf n LYS 305 Cb 0.31 -1.95 -0.05 0.00 -1.84 0.00 0.00 35.03 31.50 2qxf n LYS 305 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qxf s PRO 307 N -6.88 3.75 -0.37 0.00 0.04 -1.26 -4.97 135.00 125.31 2qxf s PRO 307 Ca 0.09 1.62 -0.25 0.00 0.04 0.00 0.00 61.00 62.51 2qxf s PRO 307 Cb -0.05 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.21 2qxf s PRO 307 CO 0.93 -0.52 0.87 0.08 0.04 0.00 0.00 177.00 178.39 2qxf s VAL 308 N -1.69 4.64 -0.01 -0.36 1.01 -1.26 -4.94 120.40 117.80 2qxf s VAL 308 Ca 0.65 1.05 0.01 0.00 0.00 0.00 0.00 61.98 63.69 2qxf s VAL 308 Cb -0.24 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2qxf s VAL 308 CO 0.29 -0.50 -0.03 -0.76 0.00 0.00 0.00 175.10 174.10 2qxf s LEU 309 N 3.32 1.88 0.16 3.92 1.43 -1.26 -2.16 118.68 125.98 2qxf s LEU 309 Ca 0.35 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.25 2qxf s LEU 309 Cb -0.12 -0.17 0.02 0.00 0.03 0.00 0.00 46.19 45.95 2qxf s LEU 309 CO 0.18 0.02 0.43 0.00 0.23 0.00 0.00 176.35 177.20 2qxf s ALA 310 N 0.09 -0.73 0.54 4.21 0.00 -0.45 -5.00 121.76 120.43 2qxf s ALA 310 Ca -0.01 -0.30 -0.20 0.00 0.00 0.00 0.00 51.96 51.45 2qxf s ALA 310 Cb -0.03 0.79 -0.08 0.00 0.00 0.00 0.00 23.12 23.80 2qxf s ALA 310 CO -0.00 -0.71 0.77 0.00 0.00 0.00 0.00 175.76 175.81 2qxf n GLN 311 N -0.27 0.80 -0.33 0.00 10.64 -1.26 -0.67 117.38 126.29 2qxf n GLN 311 Ca -0.12 0.30 0.10 0.00 -1.83 0.00 0.00 57.00 55.46 2qxf n GLN 311 Cb 0.63 -1.91 0.27 0.00 -0.86 0.00 0.00 30.24 28.37 2qxf n GLN 311 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2qxf h ALA 312 N 0.60 1.50 0.00 2.61 0.00 -1.88 -1.55 119.26 120.55 2qxf h ALA 312 Ca -0.46 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2qxf h ALA 312 Cb 1.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2qxf h ALA 312 CO 0.50 -0.02 0.00 0.27 0.00 0.00 0.00 179.25 180.01 2qxf n ASN 313 N -4.78 0.00 0.16 0.00 6.94 -1.26 -2.74 115.26 113.58 2qxf n ASN 313 Ca 0.20 -0.52 0.03 0.00 -0.02 0.00 0.00 54.58 54.27 2qxf n ASN 313 Cb 0.49 -0.07 0.41 0.00 -2.36 0.00 0.00 39.78 38.25 2qxf n ASN 313 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 2qxf h THR 314 N 0.00 1.18 -3.28 5.53 2.02 -1.62 -3.35 112.91 113.40 2qxf h THR 314 Ca 0.00 -0.85 -0.60 0.00 0.77 0.00 0.00 66.41 65.73 2qxf h THR 314 Cb 0.05 1.36 -0.11 0.00 -1.74 0.00 0.00 68.15 67.70 2qxf h THR 314 CO 0.00 0.25 0.62 -0.22 0.37 0.00 0.00 175.52 176.54 2qxf s LEU 315 N -8.60 4.00 0.49 2.58 2.96 -1.11 -4.92 118.68 114.08 2qxf s LEU 315 Ca -0.04 -0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 53.45 2qxf s LEU 315 Cb 0.15 -2.94 -0.08 0.00 0.50 0.00 0.00 46.19 43.83 2qxf s LEU 315 CO 0.72 -1.23 1.06 -0.13 -1.32 0.00 0.00 176.35 175.45 2qxf s ARG 316 N 4.04 3.74 0.27 1.98 0.52 -1.26 -4.80 118.95 123.44 2qxf s ARG 316 Ca 0.33 1.41 -0.00 0.00 -0.52 0.00 0.00 55.73 56.95 2qxf s ARG 316 Cb -0.11 -2.10 0.60 0.00 0.52 0.00 0.00 34.95 33.85 2qxf s ARG 316 CO 0.21 -0.49 1.72 -1.35 0.02 0.00 0.00 175.30 175.41 2qxf h PRO 317 N 1.54 0.43 -0.50 3.54 0.11 -1.95 -0.37 132.00 134.79 2qxf h PRO 317 Ca -0.50 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.59 2qxf h PRO 317 Cb 1.23 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2qxf h PRO 317 CO 0.59 0.28 0.33 1.05 -0.21 0.00 0.00 178.00 180.04 2qxf h GLU 318 N 0.44 0.66 0.22 1.05 9.09 -1.99 -1.20 114.58 122.84 2qxf h GLU 318 Ca 0.49 -0.04 -0.34 0.00 0.05 0.00 0.00 59.36 59.52 2qxf h GLU 318 Cb 0.84 -0.15 0.03 0.00 -1.65 0.00 0.00 28.75 27.81 2qxf h GLU 318 CO -0.47 0.44 -1.55 -0.44 0.05 0.00 0.00 179.01 177.04 2qxf h ASP 319 N 0.68 0.72 -0.67 3.06 3.32 -1.47 -1.67 116.42 120.39 2qxf h ASP 319 Ca 0.18 -0.86 0.11 0.00 0.02 0.00 0.00 57.03 56.48 2qxf h ASP 319 Cb -0.08 -0.24 -0.08 0.00 0.22 0.00 0.00 39.33 39.16 2qxf h ASP 319 CO -0.04 1.69 0.27 0.00 -1.72 0.00 0.00 179.24 179.44 2qxf h ALA 320 N 0.20 0.90 -0.13 3.45 0.00 -0.95 -0.16 119.26 122.56 2qxf h ALA 320 Ca -0.27 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2qxf h ALA 320 Cb 2.13 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 2qxf h ALA 320 CO 0.24 -0.17 0.06 -0.44 0.00 0.00 0.00 179.25 178.94 2qxf h ASP 321 N 0.45 0.18 -0.91 0.00 3.32 -1.24 0.10 116.42 118.33 2qxf h ASP 321 Ca 0.35 -0.13 0.11 0.00 0.02 0.00 0.00 57.03 57.38 2qxf h ASP 321 Cb 0.45 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.87 2qxf h ASP 321 CO -0.33 0.26 0.54 -0.09 -1.72 0.00 0.00 179.24 177.90 2qxf h ARG 322 N 0.09 0.85 -0.01 3.56 2.43 -0.94 -2.15 114.38 118.21 2qxf h ARG 322 Ca 0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qxf h ARG 322 Cb 0.13 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2qxf h ARG 322 CO -0.01 0.56 -0.13 1.28 -1.51 0.00 0.00 179.97 180.16 2qxf n LEU 323 N -4.70 0.84 -0.29 3.80 4.77 -0.10 -4.94 117.00 116.38 2qxf n LEU 323 Ca 0.16 -0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 55.92 2qxf n LEU 323 Cb 0.32 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 2qxf n LEU 323 CO 0.27 0.15 -0.04 0.61 -1.33 0.00 0.00 177.39 177.05 2qxf n GLY 324 N 1.26 0.67 3.68 -0.72 0.00 -0.51 -4.51 105.19 105.06 2qxf n GLY 324 Ca 0.15 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 2qxf n GLY 324 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qxf s ILE 325 N -2.08 4.83 -0.56 -0.61 1.01 0.24 -5.00 121.20 119.03 2qxf s ILE 325 Ca 0.00 1.87 -0.18 0.00 0.00 0.00 0.00 60.65 62.33 2qxf s ILE 325 Cb 0.00 -4.24 0.09 0.00 0.01 0.00 0.00 42.46 38.33 2qxf s ILE 325 CO 0.00 0.02 0.65 0.21 0.00 0.00 0.00 174.94 175.81 2qxf s ASN 326 N 1.11 6.19 0.16 3.58 3.84 -1.26 -4.47 114.94 124.08 2qxf s ASN 326 Ca 0.44 -1.35 -0.16 0.00 0.21 0.00 0.00 52.86 52.00 2qxf s ASN 326 Cb -0.17 -2.28 0.06 0.00 -0.55 0.00 0.00 41.25 38.30 2qxf s ASN 326 CO 0.15 -1.01 1.76 -0.09 -2.79 0.00 0.00 177.10 175.12 2qxf h ARG 327 N 9.09 0.31 -0.71 0.43 2.43 -1.95 -2.38 114.38 121.59 2qxf h ARG 327 Ca -0.29 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 2qxf h ARG 327 Cb 1.09 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 2qxf h ARG 327 CO 1.05 0.21 0.31 0.37 -1.51 0.00 0.00 179.97 180.40 2qxf h GLN 328 N 0.32 1.04 -0.21 0.20 5.75 -1.99 0.41 115.11 120.63 2qxf h GLN 328 Ca 0.17 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2qxf h GLN 328 Cb 0.12 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 2qxf h GLN 328 CO -0.15 0.84 0.12 1.25 -2.65 0.00 0.00 178.83 178.24 2qxf h HIS 329 N 1.00 0.23 -0.21 3.99 2.76 -1.89 -0.13 115.15 120.90 2qxf h HIS 329 Ca 0.24 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.45 2qxf h HIS 329 Cb 0.17 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 2qxf h HIS 329 CO 0.01 0.14 0.03 0.00 -1.30 0.00 0.00 177.93 176.81 2qxf h LEU 331 N 0.11 1.07 -0.63 0.00 3.38 -0.78 -0.54 115.31 117.92 2qxf h LEU 331 Ca 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2qxf h LEU 331 Cb 0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2qxf h LEU 331 CO -0.13 0.96 0.38 0.44 0.09 0.00 0.00 178.44 180.18 2qxf h ASP 332 N 1.11 0.77 -0.51 -0.43 3.32 -0.85 -0.61 116.42 119.22 2qxf h ASP 332 Ca 0.25 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2qxf h ASP 332 Cb 0.24 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2qxf h ASP 332 CO -0.02 0.61 0.23 0.78 -1.72 0.00 0.00 179.24 179.12 2qxf h ASN 333 N 0.86 0.68 -0.38 6.45 -0.26 -1.05 -2.44 115.58 119.45 2qxf h ASN 333 Ca 0.23 -0.15 0.02 0.00 -0.56 0.00 0.00 56.30 55.84 2qxf h ASN 333 Cb -0.01 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.04 2qxf h ASN 333 CO -0.04 0.64 0.20 0.25 -1.06 0.00 0.00 177.43 177.42 2qxf h LEU 334 N 0.68 0.30 -0.30 1.61 5.85 -0.82 -0.69 115.31 121.94 2qxf h LEU 334 Ca 0.17 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.95 2qxf h LEU 334 Cb 0.15 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2qxf h LEU 334 CO -0.02 0.22 0.06 0.11 -0.34 0.00 0.00 178.44 178.47 2qxf h LYS 335 N 0.40 0.16 -0.12 1.25 1.57 -1.02 -1.04 116.57 117.78 2qxf h LYS 335 Ca 0.16 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2qxf h LYS 335 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2qxf h LYS 335 CO -0.10 0.11 0.05 0.82 -0.57 0.00 0.00 179.45 179.76 2qxf h ILE 336 N 0.17 0.99 -0.61 1.86 2.04 -1.24 -2.19 117.51 118.54 2qxf h ILE 336 Ca 0.14 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2qxf h ILE 336 Cb 0.15 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2qxf h ILE 336 CO -0.18 0.02 0.40 -0.07 0.00 0.00 0.00 178.15 178.32 2qxf h LEU 337 N 0.12 0.70 -1.25 1.44 3.38 -0.84 -1.51 115.31 117.34 2qxf h LEU 337 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qxf h LEU 337 Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2qxf h LEU 337 CO -0.04 0.51 0.33 0.03 0.09 0.00 0.00 178.44 179.36 2qxf h ARG 338 N 0.83 0.84 0.00 1.13 3.08 -1.14 -2.52 114.38 116.60 2qxf h ARG 338 Ca 0.22 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2qxf h ARG 338 Cb -0.09 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.79 2qxf h ARG 338 CO -0.05 0.62 0.00 0.39 -1.07 0.00 0.00 179.97 179.87 2qxf n GLU 339 N -4.38 0.06 -3.12 0.04 1.02 -0.83 -4.16 120.64 109.27 2qxf n GLU 339 Ca 0.06 0.07 -0.25 0.00 -0.02 0.00 0.00 57.16 57.02 2qxf n GLU 339 Cb 0.10 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 2qxf n GLU 339 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qxf n ASN 340 N -1.69 3.16 0.00 1.62 4.13 -0.63 -4.97 115.26 116.87 2qxf n ASN 340 Ca 0.06 -3.40 0.04 0.00 1.68 0.00 0.00 54.58 52.96 2qxf n ASN 340 Cb 0.35 -0.60 0.20 0.00 -1.54 0.00 0.00 39.78 38.18 2qxf n ASN 340 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2qxf n PRO 341 N 0.27 0.11 0.33 3.52 -0.04 -1.23 -2.48 135.00 135.48 2qxf n PRO 341 Ca 0.29 0.21 0.21 0.00 -0.04 0.00 0.00 63.50 64.17 2qxf n PRO 341 Cb 0.46 -1.50 1.12 0.00 -0.04 0.00 0.00 33.50 33.54 2qxf n PRO 341 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2qxf h GLN 342 N 0.00 0.00 -0.11 0.54 -0.00 -1.93 -2.96 115.11 110.64 2qxf h GLN 342 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2qxf h GLN 342 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.55 2qxf h GLN 342 CO 0.00 0.00 0.03 -0.39 -0.00 0.00 0.00 178.83 178.47 2qxf h VAL 343 N 0.00 1.06 -0.68 1.86 -1.51 -1.84 -3.04 116.25 112.10 2qxf h VAL 343 Ca 0.00 -0.20 0.01 0.00 -1.23 0.00 0.00 66.70 65.28 2qxf h VAL 343 Cb 0.14 0.95 -0.03 0.00 -2.13 0.00 0.00 31.29 30.21 2qxf h VAL 343 CO -0.00 0.07 0.44 0.03 -1.23 0.00 0.00 177.57 176.88 2qxf h ARG 344 N 0.15 0.89 -0.29 5.19 3.08 -1.79 -2.82 114.38 118.80 2qxf h ARG 344 Ca 0.04 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2qxf h ARG 344 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2qxf h ARG 344 CO -0.00 0.60 0.01 0.93 -1.07 0.00 0.00 179.97 180.44 2qxf h GLU 345 N 0.92 0.51 -0.52 0.04 3.07 -1.74 -3.22 114.58 113.64 2qxf h GLU 345 Ca 0.25 -0.15 0.10 0.00 -0.50 0.00 0.00 59.36 59.06 2qxf h GLU 345 Cb -0.09 -0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 27.67 2qxf h GLU 345 CO -0.05 0.64 -0.08 0.87 -1.40 0.00 0.00 179.01 178.99 2qxf h LYS 346 N 0.30 0.04 -5.77 2.33 1.57 -1.46 -3.54 116.57 110.04 2qxf h LYS 346 Ca 0.08 -0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.20 2qxf h LYS 346 Cb 0.41 -0.01 -0.14 0.00 0.08 0.00 0.00 32.23 32.57 2qxf h LYS 346 CO 0.01 0.03 -0.59 0.14 -0.57 0.00 0.00 179.45 178.47 2qxf s VAL 347 N -6.20 4.57 0.00 0.50 -7.23 -1.08 -5.14 120.40 105.82 2qxf s VAL 347 Ca -0.14 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 2qxf s VAL 347 Cb 0.17 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2qxf s VAL 347 CO 0.72 0.58 0.00 -0.67 -0.31 0.00 0.00 175.10 175.42 2qxf n ASP 361 N 2.40 0.00 -4.59 4.85 2.03 -1.26 -4.94 116.55 115.04 2qxf n ASP 361 Ca -0.18 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.70 2qxf n ASP 361 Cb 0.54 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.91 2qxf n ASP 361 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2qxf s ASN 362 N 0.00 6.62 0.53 1.67 3.84 -1.26 -4.92 114.94 121.42 2qxf s ASN 362 Ca 0.00 0.42 0.21 0.00 0.21 0.00 0.00 52.86 53.70 2qxf s ASN 362 Cb 0.00 -2.52 1.36 0.00 -0.55 0.00 0.00 41.25 39.54 2qxf s ASN 362 CO 0.00 -1.14 2.08 1.62 -2.79 0.00 0.00 177.10 176.87 2qxf h VAL 363 N 6.13 0.85 -0.04 -5.21 3.04 -1.97 0.92 116.25 119.95 2qxf h VAL 363 Ca -0.23 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.47 2qxf h VAL 363 Cb 1.07 0.87 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 2qxf h VAL 363 CO 1.08 0.00 0.05 0.44 -1.01 0.00 0.00 177.57 178.14 2qxf h ASP 364 N 0.00 0.00 -0.29 3.17 3.32 -1.94 -2.25 116.42 118.43 2qxf h ASP 364 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2qxf h ASP 364 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2qxf h ASP 364 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2qxf n ALA 365 N -2.32 2.47 -0.75 3.45 0.00 0.32 -4.55 120.51 119.13 2qxf n ALA 365 Ca -0.02 -0.73 0.08 0.00 0.00 0.00 0.00 53.44 52.77 2qxf n ALA 365 Cb 0.14 -1.00 0.23 0.00 0.00 0.00 0.00 19.45 18.83 2qxf n ALA 365 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qxf n GLN 366 N 0.80 2.94 -0.24 0.00 6.02 -0.85 -4.66 117.38 121.39 2qxf n GLN 366 Ca 0.17 -2.61 0.05 0.00 -0.01 0.00 0.00 57.00 54.60 2qxf n GLN 366 Cb 0.43 -1.68 0.17 0.00 1.02 0.00 0.00 30.24 30.19 2qxf n GLN 366 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2qxf h LEU 367 N 1.89 0.04 -1.25 1.08 5.85 -1.80 -2.33 115.31 118.79 2qxf h LEU 367 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2qxf h LEU 367 Cb 1.24 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2qxf h LEU 367 CO 0.16 -0.02 0.00 -1.22 -0.34 0.00 0.00 178.44 177.03 2qxf n TYR 368 N -5.13 0.42 0.19 1.25 4.01 -1.26 -3.88 117.16 112.75 2qxf n TYR 368 Ca 0.14 -0.21 0.05 0.00 -0.16 0.00 0.00 57.90 57.71 2qxf n TYR 368 Cb 0.44 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.70 2qxf n TYR 368 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2qxf n ASN 369 N 0.48 0.16 0.00 7.72 4.13 -0.88 -4.89 115.26 121.98 2qxf n ASN 369 Ca 0.13 0.56 0.00 0.00 1.68 0.00 0.00 54.58 56.95 2qxf n ASN 369 Cb 0.30 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.95 2qxf n ASN 369 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qxf n GLY 370 N -0.94 3.48 3.77 7.41 0.00 -1.25 -5.10 105.19 112.56 2qxf n GLY 370 Ca 0.01 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 2qxf n GLY 370 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qxf s PHE 371 N -2.00 3.31 0.48 1.61 0.40 -1.26 -5.00 117.98 115.52 2qxf s PHE 371 Ca 0.00 1.62 -0.21 0.00 -0.60 0.00 0.00 56.93 57.74 2qxf s PHE 371 Cb 0.00 -3.33 -0.08 0.00 0.51 0.00 0.00 43.02 40.12 2qxf s PHE 371 CO 0.00 -0.93 1.05 -0.06 0.70 0.00 0.00 175.22 175.98 2qxf s PHE 372 N -1.33 2.98 0.89 0.36 0.40 -1.26 -5.06 117.98 114.96 2qxf s PHE 372 Ca 0.51 1.58 -0.10 0.00 -0.60 0.00 0.00 56.93 58.32 2qxf s PHE 372 Cb -0.30 -3.11 0.13 0.00 0.51 0.00 0.00 43.02 40.25 2qxf s PHE 372 CO 0.39 -0.92 1.12 -1.54 0.70 0.00 0.00 175.22 174.97 2qxf s SER 373 N -1.90 3.27 0.22 1.36 1.04 -1.26 -4.81 113.70 111.62 2qxf s SER 373 Ca 0.67 1.98 -0.08 0.00 0.48 0.00 0.00 55.95 58.99 2qxf s SER 373 Cb -0.18 -2.50 0.26 0.00 0.10 0.00 0.00 66.02 63.69 2qxf s SER 373 CO 0.22 -2.84 1.82 0.44 0.98 0.00 0.00 173.24 173.86 2qxf h ASP 374 N -1.69 0.63 -0.12 7.02 5.19 -1.99 -0.52 116.42 124.95 2qxf h ASP 374 Ca -0.45 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2qxf h ASP 374 Cb 1.26 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 2qxf h ASP 374 CO 0.46 0.41 0.07 0.00 -3.12 0.00 0.00 179.24 177.06 2qxf h ALA 375 N 1.36 0.15 -0.55 3.45 0.00 -1.99 -0.96 119.26 120.73 2qxf h ALA 375 Ca 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2qxf h ALA 375 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2qxf h ALA 375 CO -0.17 -0.31 0.32 -0.44 0.00 0.00 0.00 179.25 178.65 2qxf h ASP 376 N 0.10 0.67 -0.72 0.00 3.32 -1.86 0.02 116.42 117.95 2qxf h ASP 376 Ca 0.04 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.06 2qxf h ASP 376 Cb 0.07 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 2qxf h ASP 376 CO -0.01 0.54 0.45 0.03 -1.72 0.00 0.00 179.24 178.53 2qxf h ARG 377 N 0.74 0.84 -0.55 3.56 2.47 -1.06 0.01 114.38 120.39 2qxf h ARG 377 Ca 0.20 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.82 2qxf h ARG 377 Cb 0.00 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.11 2qxf h ARG 377 CO -0.04 0.56 0.16 0.00 0.56 0.00 0.00 179.97 181.21 2qxf h ALA 378 N 1.31 0.73 -0.47 0.04 0.00 -0.91 -1.78 119.26 118.19 2qxf h ALA 378 Ca 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2qxf h ALA 378 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2qxf h ALA 378 CO -0.12 0.41 0.19 0.00 0.00 0.00 0.00 179.25 179.73 2qxf h ALA 379 N 1.03 0.61 -0.30 0.00 0.00 -0.75 -2.76 119.26 117.08 2qxf h ALA 379 Ca 0.18 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2qxf h ALA 379 Cb 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2qxf h ALA 379 CO -0.00 0.21 -0.06 0.52 0.00 0.00 0.00 179.25 179.92 2qxf h MET 380 N 0.61 0.49 -0.78 0.00 2.07 -0.93 -2.15 114.93 114.24 2qxf h MET 380 Ca 0.16 -0.12 -0.05 0.00 -2.07 0.00 0.00 59.70 57.62 2qxf h MET 380 Cb 0.19 -0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 29.83 2qxf h MET 380 CO -0.01 0.56 0.31 -0.22 1.07 0.00 0.00 176.91 178.62 2qxf h LYS 381 N 0.46 1.17 -0.30 1.72 3.64 -1.21 -1.11 116.57 120.94 2qxf h LYS 381 Ca 0.09 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2qxf h LYS 381 Cb 0.40 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2qxf h LYS 381 CO 0.02 0.95 0.17 0.82 -2.27 0.00 0.00 179.45 179.14 2qxf h ILE 382 N 1.14 1.12 -0.32 2.00 2.04 -1.16 -0.55 117.51 121.78 2qxf h ILE 382 Ca 0.26 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.89 2qxf h ILE 382 Cb 0.22 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 2qxf h ILE 382 CO -0.02 0.12 -0.17 0.58 0.00 0.00 0.00 178.15 178.66 2qxf h VAL 383 N 0.38 0.50 -0.75 1.67 2.07 -1.12 -0.25 116.25 118.74 2qxf h VAL 383 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.68 2qxf h VAL 383 Cb 0.04 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 2qxf h VAL 383 CO -0.02 0.00 0.45 0.25 0.02 0.00 0.00 177.57 178.27 2qxf h LEU 384 N -0.13 0.70 0.00 2.57 5.85 -0.91 -3.19 115.31 120.20 2qxf h LEU 384 Ca 0.16 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2qxf h LEU 384 Cb 0.38 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2qxf h LEU 384 CO -0.39 0.46 -0.91 -0.62 -0.34 0.00 0.00 178.44 176.63 2qxf n GLU 385 N -4.69 0.18 -2.55 1.25 1.02 -0.24 -4.84 120.64 110.76 2qxf n GLU 385 Ca 0.10 -0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.86 2qxf n GLU 385 Cb 0.16 -1.56 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 2qxf n GLU 385 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2qxf s THR 386 N -3.12 3.71 0.45 2.62 -1.32 -0.14 -5.04 115.64 112.80 2qxf s THR 386 Ca 0.06 1.42 -0.24 0.00 -1.21 0.00 0.00 61.69 61.71 2qxf s THR 386 Cb 0.15 -3.79 -0.09 0.00 -1.51 0.00 0.00 72.50 67.27 2qxf s THR 386 CO 0.79 0.11 1.22 -0.62 -2.21 0.00 0.00 174.62 173.91 2qxf n GLU 387 N 0.31 1.74 0.28 7.08 1.02 -1.26 -4.89 120.64 124.92 2qxf n GLU 387 Ca 0.03 0.63 0.15 0.00 -0.02 0.00 0.00 57.16 57.94 2qxf n GLU 387 Cb 0.48 -2.34 0.79 0.00 -0.02 0.00 0.00 31.44 30.36 2qxf n GLU 387 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2qxf h PRO 388 N 1.82 0.00 0.00 3.49 0.11 -1.95 -2.09 132.00 133.39 2qxf h PRO 388 Ca -0.48 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 2qxf h PRO 388 Cb 1.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 2qxf h PRO 388 CO 0.58 0.09 -0.56 0.07 -0.21 0.00 0.00 178.00 177.97 2qxf h ARG 389 N 0.00 0.00 -0.00 1.05 0.11 -2.01 -3.12 114.38 110.41 2qxf h ARG 389 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2qxf h ARG 389 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 2qxf h ARG 389 CO 0.01 0.56 -0.28 0.09 0.10 0.00 0.00 179.97 180.46 2qxf n ASN 390 N -3.76 0.49 -0.20 0.08 5.03 -0.82 -4.46 115.26 111.63 2qxf n ASN 390 Ca -0.01 -0.29 -0.06 0.00 0.87 0.00 0.00 54.58 55.09 2qxf n ASN 390 Cb 0.59 0.02 0.03 0.00 -1.02 0.00 0.00 39.78 39.40 2qxf n ASN 390 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2qxf h LEU 391 N 0.33 0.66 -1.07 3.41 3.38 -1.41 -2.94 115.31 117.67 2qxf h LEU 391 Ca 0.00 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.10 2qxf h LEU 391 Cb 0.47 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 2qxf h LEU 391 CO 0.00 0.48 0.62 -0.65 0.09 0.00 0.00 178.44 178.97 2qxf h PRO 392 N 0.78 0.86 0.00 1.13 0.11 -1.78 -1.80 132.00 131.29 2qxf h PRO 392 Ca 0.21 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2qxf h PRO 392 Cb -0.08 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.83 2qxf h PRO 392 CO -0.05 0.57 0.00 0.00 -0.21 0.00 0.00 178.00 178.31 2qxf n ALA 393 N -2.36 2.28 -2.13 -0.75 0.00 -1.20 -4.85 120.51 111.49 2qxf n ALA 393 Ca 0.20 -0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 2qxf n ALA 393 Cb 0.43 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 2qxf n ALA 393 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2qxf s LEU 394 N -3.33 3.64 -0.27 0.00 2.96 -0.68 -4.98 118.68 116.01 2qxf s LEU 394 Ca 0.13 1.26 -0.12 0.00 -0.22 0.00 0.00 54.13 55.17 2qxf s LEU 394 Cb 0.17 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 2qxf s LEU 394 CO 0.53 -1.50 0.26 -1.81 -1.32 0.00 0.00 176.35 172.51 2qxf s ASP 395 N 4.93 6.11 -0.21 3.68 1.01 -1.26 -5.05 116.67 125.88 2qxf s ASP 395 Ca 0.72 0.11 -0.27 0.00 0.71 0.00 0.00 52.55 53.82 2qxf s ASP 395 Cb -0.21 -2.15 0.07 0.00 1.01 0.00 0.00 42.92 41.64 2qxf s ASP 395 CO 0.32 -0.09 0.73 -0.51 0.21 0.00 0.00 175.17 175.82 2qxf s ILE 396 N 1.85 0.00 -0.16 0.77 2.07 -1.26 -5.17 121.20 119.29 2qxf s ILE 396 Ca 0.10 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.25 2qxf s ILE 396 Cb -0.16 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.39 2qxf s ILE 396 CO 0.10 0.00 0.13 -0.89 -1.91 0.00 0.00 174.94 172.37 2qxf s THR 397 N -0.06 5.42 0.07 4.00 2.01 -1.26 -5.09 115.64 120.72 2qxf s THR 397 Ca -0.03 0.19 0.09 0.00 0.31 0.00 0.00 61.69 62.25 2qxf s THR 397 Cb -0.04 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2qxf s THR 397 CO 0.03 0.52 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.88 2qxf s PHE 398 N -0.26 2.10 -0.24 4.92 0.08 -1.26 -4.87 117.98 118.45 2qxf s PHE 398 Ca 0.11 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 2qxf s PHE 398 Cb -0.11 -1.22 -0.14 0.00 -0.57 0.00 0.00 43.02 40.97 2qxf s PHE 398 CO 0.01 0.16 -0.24 1.33 -0.10 0.00 0.00 175.22 176.38 2qxf n VAL 399 N 1.56 1.35 -1.69 -0.44 0.24 -1.26 -4.96 118.33 113.13 2qxf n VAL 399 Ca -0.17 -0.47 -0.43 0.00 -2.04 0.00 0.00 64.34 61.23 2qxf n VAL 399 Cb 0.53 -1.47 -0.03 0.00 -1.47 0.00 0.00 33.84 31.39 2qxf n VAL 399 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2qxf n ASP 400 N -3.45 3.95 0.22 -1.34 -0.08 -1.26 -4.88 116.55 109.70 2qxf n ASP 400 Ca -0.44 1.01 0.15 0.00 -1.51 0.00 0.00 54.79 54.00 2qxf n ASP 400 Cb 0.92 -1.53 0.64 0.00 2.34 0.00 0.00 41.12 43.48 2qxf n ASP 400 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2qxf h LYS 401 N 8.09 0.00 0.00 -0.67 1.79 -2.04 -2.62 116.57 121.11 2qxf h LYS 401 Ca -0.46 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.92 2qxf h LYS 401 Cb 1.22 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 2qxf h LYS 401 CO 0.95 0.00 -0.45 0.00 -1.08 0.00 0.00 179.45 178.87 2qxf h ARG 402 N 0.00 0.00 -0.36 3.15 3.08 -2.00 -3.38 114.38 114.87 2qxf h ARG 402 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2qxf h ARG 402 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2qxf h ARG 402 CO 0.00 0.45 -0.38 0.82 -1.07 0.00 0.00 179.97 179.78 2qxf h ILE 403 N 0.00 1.28 -0.49 2.04 2.04 -1.86 -0.77 117.51 119.75 2qxf h ILE 403 Ca -0.00 -1.56 0.09 0.00 1.00 0.00 0.00 64.86 64.39 2qxf h ILE 403 Cb 0.87 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 38.28 2qxf h ILE 403 CO 0.06 0.52 0.01 -0.08 0.00 0.00 0.00 178.15 178.66 2qxf h GLU 404 N 0.71 0.12 -0.23 2.37 4.22 -1.78 0.18 114.58 120.18 2qxf h GLU 404 Ca 0.06 -0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.34 2qxf h GLU 404 Cb 0.96 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2qxf h GLU 404 CO 0.09 0.08 -0.44 0.87 -2.18 0.00 0.00 179.01 177.44 2qxf h LYS 405 N 0.13 0.70 -0.49 1.92 1.57 -1.73 -1.50 116.57 117.17 2qxf h LYS 405 Ca 0.25 -0.45 0.06 0.00 -1.87 0.00 0.00 60.65 58.64 2qxf h LYS 405 Cb 0.37 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 2qxf h LYS 405 CO -0.40 1.07 0.19 -0.07 -0.57 0.00 0.00 179.45 179.67 2qxf h LEU 406 N 0.42 0.21 -0.34 2.94 3.38 -0.81 -0.89 115.31 120.22 2qxf h LEU 406 Ca 0.01 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2qxf h LEU 406 Cb 1.04 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2qxf h LEU 406 CO 0.10 0.15 -0.02 0.25 0.09 0.00 0.00 178.44 179.02 2qxf h LEU 407 N 0.38 0.60 -0.04 1.67 5.85 -0.56 0.46 115.31 123.65 2qxf h LEU 407 Ca 0.23 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2qxf h LEU 407 Cb 0.22 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2qxf h LEU 407 CO -0.22 0.77 0.03 0.15 -0.34 0.00 0.00 178.44 178.83 2qxf h PHE 408 N 0.41 0.06 -0.88 1.25 3.57 -1.09 -1.47 116.94 118.77 2qxf h PHE 408 Ca 0.09 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2qxf h PHE 408 Cb 0.48 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 2qxf h PHE 408 CO 0.04 0.08 0.58 -0.91 -2.23 0.00 0.00 178.31 175.87 2qxf h ASN 409 N 0.01 0.97 -0.26 0.41 2.35 -1.09 0.86 115.58 118.83 2qxf h ASN 409 Ca 0.02 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2qxf h ASN 409 Cb 0.04 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2qxf h ASN 409 CO -0.00 0.68 0.14 0.22 -1.65 0.00 0.00 177.43 176.82 2qxf h TYR 410 N 1.14 0.27 -0.16 1.19 3.20 -0.67 0.51 116.97 122.45 2qxf h TYR 410 Ca 0.34 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 2qxf h TYR 410 Cb -0.05 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 2qxf h TYR 410 CO -0.01 0.16 -0.18 0.00 -1.64 0.00 0.00 178.16 176.48 2qxf h ARG 411 N 0.30 0.40 -0.43 1.82 3.08 -0.94 -2.06 114.38 116.55 2qxf h ARG 411 Ca 0.11 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 2qxf h ARG 411 Cb 0.01 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2qxf h ARG 411 CO -0.06 0.79 -0.16 0.00 -1.07 0.00 0.00 179.97 179.47 2qxf h ALA 412 N 0.61 0.91 -0.04 0.04 0.00 -0.72 0.99 119.26 121.04 2qxf h ALA 412 Ca 0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 2qxf h ALA 412 Cb 0.72 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2qxf h ALA 412 CO 0.04 0.63 -0.54 0.00 0.00 0.00 0.00 179.25 179.38 2qxf h ARG 413 N 0.72 0.44 0.06 0.00 3.08 -0.96 -3.30 114.38 114.42 2qxf h ARG 413 Ca 0.11 -0.42 -0.34 0.00 0.07 0.00 0.00 59.98 59.41 2qxf h ARG 413 Cb 0.67 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 2qxf h ARG 413 CO 0.05 1.06 -1.93 0.09 -1.07 0.00 0.00 179.97 178.17 2qxf n ASN 414 N -4.25 1.53 -2.85 7.04 4.13 -0.77 -4.64 115.26 115.45 2qxf n ASN 414 Ca -0.09 0.26 -0.20 0.00 1.68 0.00 0.00 54.58 56.22 2qxf n ASN 414 Cb 0.63 -0.44 -0.01 0.00 -1.54 0.00 0.00 39.78 38.42 2qxf n ASN 414 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2qxf n PHE 415 N -3.26 2.13 0.27 3.10 3.72 0.34 -4.94 117.46 118.80 2qxf n PHE 415 Ca -0.27 -3.48 0.11 0.00 -0.05 0.00 0.00 57.45 53.76 2qxf n PHE 415 Cb 1.05 -0.36 0.74 0.00 -0.94 0.00 0.00 39.48 39.97 2qxf n PHE 415 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2qxf h PRO 416 N 2.91 0.00 0.00 -1.08 0.13 -1.64 -1.04 132.00 131.28 2qxf h PRO 416 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2qxf h PRO 416 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2qxf h PRO 416 CO 0.66 0.08 0.00 0.78 -0.23 0.00 0.00 178.00 179.29 2qxf h GLY 417 N 0.41 0.00 -0.24 1.56 0.00 -1.91 -2.75 103.07 100.14 2qxf h GLY 417 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qxf h GLY 417 CO 0.01 0.00 -0.46 -1.30 0.00 0.00 0.00 176.54 174.79 2qxf n THR 418 N -2.60 0.00 -2.48 4.70 -2.24 -0.39 -4.95 114.28 106.31 2qxf n THR 418 Ca -0.02 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 2qxf n THR 418 Cb 0.05 0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 2qxf n THR 418 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qxf s LEU 419 N -2.59 4.49 0.92 3.22 1.43 -1.04 -4.93 118.68 120.18 2qxf s LEU 419 Ca 0.19 2.14 -0.14 0.00 -1.03 0.00 0.00 54.13 55.28 2qxf s LEU 419 Cb 0.18 -3.61 0.17 0.00 0.03 0.00 0.00 46.19 42.97 2qxf s LEU 419 CO 0.60 -0.24 1.28 1.51 0.23 0.00 0.00 176.35 179.73 2qxf s ASP 420 N -0.16 3.43 0.14 2.29 1.47 -1.26 -4.79 116.67 117.79 2qxf s ASP 420 Ca 0.49 0.32 -0.18 0.00 1.18 0.00 0.00 52.55 54.36 2qxf s ASP 420 Cb -0.30 -0.46 -0.03 0.00 -0.34 0.00 0.00 42.92 41.78 2qxf s ASP 420 CO 0.36 -2.54 1.79 0.22 0.68 0.00 0.00 175.17 175.69 2qxf h TYR 421 N -1.47 0.36 -0.74 2.11 3.20 -1.99 0.11 116.97 118.56 2qxf h TYR 421 Ca -0.44 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.47 2qxf h TYR 421 Cb 1.25 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.35 2qxf h TYR 421 CO -0.84 0.22 0.46 0.00 -1.64 0.00 0.00 178.16 176.36 2qxf h ALA 422 N 1.11 0.97 -0.66 1.82 0.00 -1.99 -1.12 119.26 119.39 2qxf h ALA 422 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2qxf h ALA 422 Cb -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2qxf h ALA 422 CO -0.03 0.23 0.30 0.93 0.00 0.00 0.00 179.25 180.68 2qxf h GLU 423 N 0.88 0.97 -0.94 0.00 5.08 -1.82 -0.47 114.58 118.28 2qxf h GLU 423 Ca 0.30 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2qxf h GLU 423 Cb 0.05 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 2qxf h GLU 423 CO -0.12 0.79 0.61 1.96 -1.00 0.00 0.00 179.01 181.24 2qxf h GLN 424 N 0.93 1.13 -0.36 2.33 4.20 -0.25 0.01 115.11 123.09 2qxf h GLN 424 Ca 0.23 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.72 2qxf h GLN 424 Cb 0.15 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2qxf h GLN 424 CO -0.02 0.75 -0.36 1.96 -0.67 0.00 0.00 178.83 180.48 2qxf h GLN 425 N 1.16 0.84 -0.50 1.46 1.08 -0.88 -1.04 115.11 117.24 2qxf h GLN 425 Ca 0.38 -0.42 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 2qxf h GLN 425 Cb 0.04 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 2qxf h GLN 425 CO -0.13 1.06 0.31 -0.09 -0.95 0.00 0.00 178.83 179.03 2qxf h ARG 426 N 0.70 0.61 -0.54 1.46 2.43 -0.68 -1.90 114.38 116.46 2qxf h ARG 426 Ca 0.06 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2qxf h ARG 426 Cb 0.93 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 2qxf h ARG 426 CO 0.09 0.40 0.20 2.35 -1.51 0.00 0.00 179.97 181.49 2qxf h TRP 427 N 0.63 0.84 -0.59 2.20 2.91 -0.81 -1.33 115.95 119.80 2qxf h TRP 427 Ca 0.20 -0.07 0.10 0.00 1.13 0.00 0.00 58.89 60.24 2qxf h TRP 427 Cb -0.01 -0.25 -0.08 0.00 -0.51 0.00 0.00 29.16 28.31 2qxf h TRP 427 CO -0.06 0.70 0.17 1.25 -1.03 0.00 0.00 178.44 179.47 2qxf h LEU 428 N 0.73 0.11 -0.37 0.65 5.85 -1.00 -0.97 115.31 120.31 2qxf h LEU 428 Ca 0.18 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 2qxf h LEU 428 Cb 0.23 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2qxf h LEU 428 CO -0.01 0.07 0.12 -0.08 -0.34 0.00 0.00 178.44 178.20 2qxf h GLU 429 N 0.33 0.58 -0.29 1.25 4.57 -1.14 -2.32 114.58 117.56 2qxf h GLU 429 Ca 0.30 -0.12 0.05 0.00 -1.18 0.00 0.00 59.36 58.41 2qxf h GLU 429 Cb 0.41 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.87 2qxf h GLU 429 CO -0.34 0.59 -0.02 1.25 -1.18 0.00 0.00 179.01 179.31 2qxf h HIS 430 N 0.45 -0.05 -0.66 0.92 2.76 -0.86 -1.17 115.15 116.55 2qxf h HIS 430 Ca 0.12 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2qxf h HIS 430 Cb 0.25 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 2qxf h HIS 430 CO 0.01 -0.07 0.38 0.00 -1.30 0.00 0.00 177.93 176.95 2qxf h ARG 431 N 0.07 0.91 -0.98 5.26 3.08 -1.08 -2.23 114.38 119.41 2qxf h ARG 431 Ca 0.14 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.14 2qxf h ARG 431 Cb 0.20 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 2qxf h ARG 431 CO -0.25 0.67 0.64 0.00 -1.07 0.00 0.00 179.97 179.95 2qxf h ARG 432 N 0.90 1.17 0.00 0.04 3.08 -1.12 -0.00 114.38 118.45 2qxf h ARG 432 Ca 0.23 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 2qxf h ARG 432 Cb 0.01 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 2qxf h ARG 432 CO -0.04 0.78 -0.20 1.96 -1.07 0.00 0.00 179.97 181.40 2qxf h GLN 433 N 1.21 0.00 0.03 0.04 4.20 -0.76 -3.14 115.11 116.69 2qxf h GLN 433 Ca 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.11 2qxf h GLN 433 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2qxf h GLN 433 CO -0.13 0.20 -0.01 0.28 -0.67 0.00 0.00 178.83 178.49 2qxf h VAL 434 N 0.00 1.05 -0.55 -0.54 2.07 -1.06 -3.39 116.25 113.83 2qxf h VAL 434 Ca -0.00 -1.69 -0.71 0.00 0.82 0.00 0.00 66.70 65.12 2qxf h VAL 434 Cb 0.83 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 2qxf h VAL 434 CO 0.03 0.34 3.08 0.49 0.02 0.00 0.00 177.57 181.53 2qxf n PHE 435 N -4.72 2.67 -1.67 1.57 3.72 -0.05 -4.82 117.46 114.16 2qxf n PHE 435 Ca -0.06 -2.96 -0.33 0.00 -0.05 0.00 0.00 57.45 54.05 2qxf n PHE 435 Cb 0.29 -2.21 0.05 0.00 -0.94 0.00 0.00 39.48 36.67 2qxf n PHE 435 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qxf s THR 436 N 0.93 3.27 0.28 4.37 -4.23 -1.23 -4.80 115.64 114.23 2qxf s THR 436 Ca 0.58 0.55 0.01 0.00 -1.18 0.00 0.00 61.69 61.66 2qxf s THR 436 Cb 0.17 -3.07 0.27 0.00 1.34 0.00 0.00 72.50 71.21 2qxf s THR 436 CO -0.07 -0.40 1.69 -0.65 -0.54 0.00 0.00 174.62 174.66 2qxf h PRO 437 N -0.18 0.36 -0.49 3.99 0.11 -1.93 -1.51 132.00 132.36 2qxf h PRO 437 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2qxf h PRO 437 Cb 1.24 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2qxf h PRO 437 CO 0.54 0.24 0.19 1.49 -0.21 0.00 0.00 178.00 180.24 2qxf h GLU 438 N 0.37 0.74 -0.15 1.05 4.57 -1.97 -2.47 114.58 116.72 2qxf h GLU 438 Ca 0.52 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.55 2qxf h GLU 438 Cb 0.95 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 2qxf h GLU 438 CO -0.52 0.67 0.04 0.35 -1.18 0.00 0.00 179.01 178.37 2qxf h PHE 439 N 0.65 0.24 -0.47 0.92 3.04 -1.69 -2.01 116.94 117.62 2qxf h PHE 439 Ca 0.16 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.01 2qxf h PHE 439 Cb 0.21 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 2qxf h PHE 439 CO 0.01 0.36 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.58 2qxf h LEU 440 N 0.06 0.83 -0.39 0.59 3.38 -1.30 -0.81 115.31 117.66 2qxf h LEU 440 Ca 0.05 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2qxf h LEU 440 Cb 0.23 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2qxf h LEU 440 CO -0.00 0.94 0.23 -0.61 0.09 0.00 0.00 178.44 179.09 2qxf h GLN 441 N 0.70 0.54 -0.93 1.13 5.75 -1.49 -2.30 115.11 118.50 2qxf h GLN 441 Ca 0.13 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.59 2qxf h GLN 441 Cb 0.52 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.92 2qxf h GLN 441 CO 0.03 0.41 0.62 0.78 -2.65 0.00 0.00 178.83 178.01 2qxf h GLY 442 N 0.51 1.31 0.74 2.39 0.00 -1.12 -0.20 103.07 106.70 2qxf h GLY 442 Ca 0.14 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2qxf h GLY 442 CO -0.03 0.48 -0.04 -1.82 0.00 0.00 0.00 176.54 175.13 2qxf h TYR 443 N 1.26 -0.11 -0.57 5.60 3.20 -0.97 -0.86 116.97 124.52 2qxf h TYR 443 Ca 0.34 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.29 2qxf h TYR 443 Cb -0.15 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.09 2qxf h TYR 443 CO -0.01 0.17 0.21 0.00 -1.64 0.00 0.00 178.16 176.89 2qxf h ALA 444 N 0.50 0.72 -0.49 1.82 0.00 -1.31 -1.55 119.26 118.96 2qxf h ALA 444 Ca -0.01 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2qxf h ALA 444 Cb 0.32 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2qxf h ALA 444 CO 0.02 -0.19 0.27 -0.44 0.00 0.00 0.00 179.25 178.90 2qxf h ASP 445 N 0.39 0.41 -0.40 0.00 3.32 -0.89 -1.62 116.42 117.63 2qxf h ASP 445 Ca 0.28 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2qxf h ASP 445 Cb 0.33 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2qxf h ASP 445 CO -0.28 0.29 0.18 -0.08 -1.72 0.00 0.00 179.24 177.62 2qxf h GLU 446 N 0.53 0.59 -0.45 3.56 4.81 -0.79 -0.63 114.58 122.20 2qxf h GLU 446 Ca 0.20 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2qxf h GLU 446 Cb 0.07 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2qxf h GLU 446 CO -0.12 0.53 0.26 -0.07 -0.73 0.00 0.00 179.01 178.88 2qxf h LEU 447 N 0.50 0.54 -0.12 1.64 3.38 -1.11 -0.78 115.31 119.37 2qxf h LEU 447 Ca 0.14 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2qxf h LEU 447 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2qxf h LEU 447 CO -0.01 0.45 0.06 -0.61 0.09 0.00 0.00 178.44 178.42 2qxf h GLN 448 N 0.59 0.13 -0.27 1.13 5.75 -1.17 -1.02 115.11 120.25 2qxf h GLN 448 Ca 0.16 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.69 2qxf h GLN 448 Cb 0.02 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 2qxf h GLN 448 CO -0.03 0.08 0.03 1.98 -2.65 0.00 0.00 178.83 178.24 2qxf h MET 449 N 0.13 0.12 -0.39 1.69 4.05 -0.93 -2.66 114.93 116.94 2qxf h MET 449 Ca 0.05 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.37 2qxf h MET 449 Cb 0.00 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 2qxf h MET 449 CO -0.03 0.08 -0.12 -0.07 0.23 0.00 0.00 176.91 176.99 2qxf h LEU 450 N 0.12 0.68 -1.17 3.39 3.38 -0.92 -0.07 115.31 120.71 2qxf h LEU 450 Ca 0.12 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2qxf h LEU 450 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2qxf h LEU 450 CO -0.18 0.83 -0.40 1.62 0.09 0.00 0.00 178.44 180.39 2qxf h VAL 451 N 0.62 1.19 -0.01 1.22 3.04 -1.00 0.95 116.25 122.27 2qxf h VAL 451 Ca 0.11 -1.41 -0.07 0.00 -1.01 0.00 0.00 66.70 64.31 2qxf h VAL 451 Cb 0.57 1.78 0.01 0.00 -2.01 0.00 0.00 31.29 31.64 2qxf h VAL 451 CO 0.04 0.39 -0.27 1.56 -1.01 0.00 0.00 177.57 178.28 2qxf h GLN 452 N 0.00 0.19 -0.46 4.17 4.20 -1.16 -2.71 115.11 119.35 2qxf h GLN 452 Ca -0.00 -0.20 0.05 0.00 0.06 0.00 0.00 58.65 58.56 2qxf h GLN 452 Cb 0.75 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.54 2qxf h GLN 452 CO 0.05 0.92 0.19 0.37 -0.67 0.00 0.00 178.83 179.69 2qxf h GLN 453 N -0.46 0.37 -0.67 1.46 4.15 -0.76 -2.96 115.11 116.24 2qxf h GLN 453 Ca -0.03 -0.02 -0.26 0.00 0.77 0.00 0.00 58.65 59.11 2qxf h GLN 453 Cb 1.01 -0.08 -0.16 0.00 0.21 0.00 0.00 27.48 28.47 2qxf h GLN 453 CO 0.05 0.24 0.26 0.66 -1.93 0.00 0.00 178.83 178.12 2qxf n TYR 454 N -4.97 2.15 -0.29 3.99 4.01 0.31 -4.74 117.16 117.62 2qxf n TYR 454 Ca 0.04 -1.41 0.19 0.00 -0.16 0.00 0.00 57.90 56.55 2qxf n TYR 454 Cb 0.16 -0.67 0.48 0.00 -0.31 0.00 0.00 39.34 38.99 2qxf n TYR 454 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qxf h ALA 455 N 1.80 2.13 -0.00 -0.72 0.00 -1.30 -0.51 119.26 120.66 2qxf h ALA 455 Ca 0.32 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2qxf h ALA 455 Cb 2.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.00 2qxf h ALA 455 CO 0.70 -0.47 -0.15 -0.25 0.00 0.00 0.00 179.25 179.08 2qxf n ASP 456 N -4.58 0.62 -4.28 0.00 8.00 -1.26 -4.67 116.55 110.38 2qxf n ASP 456 Ca 0.22 -0.65 -0.44 0.00 0.71 0.00 0.00 54.79 54.62 2qxf n ASP 456 Cb 0.74 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.76 2qxf n ASP 456 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qxf s ASP 457 N -2.48 6.09 0.30 -2.24 -1.08 -0.20 -4.96 116.67 112.10 2qxf s ASP 457 Ca 0.28 -1.93 0.02 0.00 -0.52 0.00 0.00 52.55 50.40 2qxf s ASP 457 Cb 0.20 -2.15 0.48 0.00 -1.46 0.00 0.00 42.92 39.99 2qxf s ASP 457 CO 0.49 -0.78 1.82 0.11 0.52 0.00 0.00 175.17 177.32 2qxf h LYS 458 N 8.63 0.62 -0.38 4.34 1.57 -1.83 -1.08 116.57 128.45 2qxf h LYS 458 Ca -0.23 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.31 2qxf h LYS 458 Cb 1.08 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 2qxf h LYS 458 CO 0.96 0.66 -0.09 0.93 -0.57 0.00 0.00 179.45 181.34 2qxf h GLU 459 N 0.59 0.74 -0.52 3.15 3.07 -1.94 -2.12 114.58 117.54 2qxf h GLU 459 Ca 0.12 -0.28 -0.05 0.00 -0.50 0.00 0.00 59.36 58.64 2qxf h GLU 459 Cb 0.41 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 2qxf h GLU 459 CO 0.02 0.88 0.12 0.87 -1.40 0.00 0.00 179.01 179.50 2qxf h LYS 460 N 0.55 0.84 -0.36 2.33 1.57 -1.81 -1.74 116.57 117.95 2qxf h LYS 460 Ca 0.10 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2qxf h LYS 460 Cb 0.61 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 2qxf h LYS 460 CO 0.04 0.81 0.08 0.28 -0.57 0.00 0.00 179.45 180.09 2qxf h VAL 461 N 0.73 0.84 -0.66 0.50 2.07 -1.15 0.11 116.25 118.68 2qxf h VAL 461 Ca 0.16 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2qxf h VAL 461 Cb 0.35 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2qxf h VAL 461 CO 0.00 0.04 0.36 0.00 0.02 0.00 0.00 177.57 177.99 2qxf h ALA 462 N 1.26 0.85 -0.73 1.67 0.00 -1.30 -1.07 119.26 119.94 2qxf h ALA 462 Ca 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qxf h ALA 462 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2qxf h ALA 462 CO -0.21 0.37 0.43 -0.07 0.00 0.00 0.00 179.25 179.77 2qxf h LEU 463 N 0.91 0.89 -0.95 0.00 3.38 -0.82 -2.15 115.31 116.56 2qxf h LEU 463 Ca 0.23 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2qxf h LEU 463 Cb 0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2qxf h LEU 463 CO -0.04 0.70 0.17 -0.07 0.09 0.00 0.00 178.44 179.30 2qxf h LEU 464 N 1.00 0.88 -0.88 1.67 3.38 -0.46 -0.88 115.31 120.02 2qxf h LEU 464 Ca 0.26 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2qxf h LEU 464 Cb -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2qxf h LEU 464 CO -0.05 0.84 0.15 0.11 0.09 0.00 0.00 178.44 179.58 2qxf h LYS 465 N 0.91 0.97 -0.36 1.13 1.57 -1.05 -1.07 116.57 118.67 2qxf h LYS 465 Ca 0.20 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2qxf h LYS 465 Cb 0.29 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2qxf h LYS 465 CO -0.01 0.87 0.23 0.00 -0.57 0.00 0.00 179.45 179.97 2qxf h ALA 466 N 1.23 0.45 -0.75 3.86 0.00 -1.01 -1.17 119.26 121.87 2qxf h ALA 466 Ca 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2qxf h ALA 466 Cb 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2qxf h ALA 466 CO 0.00 -0.10 0.36 -0.07 0.00 0.00 0.00 179.25 179.44 2qxf h LEU 467 N 0.47 0.98 -0.23 0.00 3.38 -0.92 -0.53 115.31 118.47 2qxf h LEU 467 Ca 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qxf h LEU 467 Cb -0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2qxf h LEU 467 CO -0.04 0.84 0.12 -0.25 0.09 0.00 0.00 178.44 179.21 2qxf h TRP 468 N 1.05 0.31 -0.46 1.13 2.91 -1.09 -1.57 115.95 118.23 2qxf h TRP 468 Ca 0.26 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.34 2qxf h TRP 468 Cb 0.12 -0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 28.61 2qxf h TRP 468 CO 0.01 0.28 0.14 0.37 -1.03 0.00 0.00 178.44 178.21 2qxf h GLN 469 N 0.25 0.28 -0.27 2.65 -0.00 -0.93 0.10 115.11 117.20 2qxf h GLN 469 Ca 0.08 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.67 2qxf h GLN 469 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.48 2qxf h GLN 469 CO -0.01 0.19 0.01 -0.92 0.00 0.00 0.00 178.83 178.09 2qxf h TYR 470 N 0.29 0.52 -0.58 3.99 3.20 -1.02 -2.35 116.97 121.01 2qxf h TYR 470 Ca 0.22 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2qxf h TYR 470 Cb 0.25 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 2qxf h TYR 470 CO -0.18 0.62 0.32 0.00 -1.64 0.00 0.00 178.16 177.28 2qxf h ALA 471 N 0.83 0.74 -0.75 1.82 0.00 -0.97 -1.06 119.26 119.87 2qxf h ALA 471 Ca 0.08 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2qxf h ALA 471 Cb 0.41 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2qxf h ALA 471 CO 0.01 0.26 0.35 -0.44 0.00 0.00 0.00 179.25 179.43 2qxf h ASP 472 N 0.78 0.41 0.10 0.00 5.19 -0.77 -2.88 116.42 119.25 2qxf h ASP 472 Ca 0.20 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.69 2qxf h ASP 472 Cb 0.04 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2qxf h ASP 472 CO -0.03 0.20 -0.05 -0.08 -3.12 0.00 0.00 179.24 176.16 2qxf h GLU 473 N 0.55 -0.13 0.00 3.56 4.81 -0.96 -3.51 114.58 118.89 2qxf h GLU 473 Ca 0.39 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2qxf h GLU 473 Cb 0.52 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2qxf h GLU 473 CO -0.33 0.16 0.00 -0.89 -0.73 0.00 0.00 179.01 177.22