#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxl s ALA 3 N 0.00 -0.54 0.11 4.61 0.00 -1.26 -5.15 121.76 119.53 3fxl s ALA 3 Ca 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 3fxl s ALA 3 Cb 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 3fxl s ALA 3 CO 0.00 -0.11 0.29 -0.06 0.00 0.00 0.00 175.76 175.88 3fxl s PHE 4 N 0.02 3.50 0.96 0.00 0.08 -1.26 -3.73 117.98 117.54 3fxl s PHE 4 Ca -0.01 0.36 -0.11 0.00 0.12 0.00 0.00 56.93 57.29 3fxl s PHE 4 Cb -0.02 -1.85 0.17 0.00 -0.57 0.00 0.00 43.02 40.75 3fxl s PHE 4 CO 0.00 0.51 1.11 -0.51 -0.10 0.00 0.00 175.22 176.23 3fxl s LEU 5 N -2.67 2.32 0.12 -0.37 1.02 -0.03 -4.87 118.68 114.21 3fxl s LEU 5 Ca 0.37 1.92 -0.12 0.00 0.02 0.00 0.00 54.13 56.32 3fxl s LEU 5 Cb -0.12 -4.22 -0.11 0.00 0.02 0.00 0.00 46.19 41.75 3fxl s LEU 5 CO 0.27 -3.21 1.37 0.44 0.02 0.00 0.00 176.35 175.24 3fxl h ASP 6 N -1.94 0.97 -4.48 2.29 3.45 -1.99 -3.45 116.42 111.26 3fxl h ASP 6 Ca -0.48 -0.57 -0.36 0.00 0.43 0.00 0.00 57.03 56.05 3fxl h ASP 6 Cb 1.28 -0.28 -0.23 0.00 -0.56 0.00 0.00 39.33 39.54 3fxl h ASP 6 CO 0.46 1.37 -0.76 -0.54 -1.57 0.00 0.00 179.24 178.20 3fxl s LYS 7 N -3.98 0.70 0.27 3.56 1.02 -1.26 -5.14 119.74 114.90 3fxl s LYS 7 Ca -0.11 -0.75 -0.29 0.00 0.02 0.00 0.00 55.97 54.84 3fxl s LYS 7 Cb 0.10 -0.62 -0.09 0.00 -0.52 0.00 0.00 37.83 36.69 3fxl s LYS 7 CO 0.90 0.14 1.13 -1.25 -0.92 0.00 0.00 175.35 175.35 3fxl s PRO 8 N -1.35 4.59 -0.81 -1.68 0.04 -1.26 -4.85 135.00 129.68 3fxl s PRO 8 Ca -0.04 1.85 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 3fxl s PRO 8 Cb -0.09 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.28 3fxl s PRO 8 CO 0.01 0.13 1.50 0.15 0.04 0.00 0.00 177.00 178.83 3fxl s LYS 9 N -1.25 3.13 0.00 4.56 1.02 -0.40 -4.84 119.74 121.95 3fxl s LYS 9 Ca 0.46 -0.32 0.13 0.00 0.02 0.00 0.00 55.97 56.26 3fxl s LYS 9 Cb -0.33 -4.62 0.44 0.00 -0.52 0.00 0.00 37.83 32.79 3fxl s LYS 9 CO 0.41 -2.40 1.34 0.00 -0.92 0.00 0.00 175.35 173.77 3fxl n MET 10 N 9.16 1.72 -2.13 1.68 0.00 -1.26 -1.16 117.12 125.13 3fxl n MET 10 Ca 0.18 -1.11 -0.41 0.00 0.00 0.00 0.00 57.70 56.36 3fxl n MET 10 Cb 0.50 -1.29 -0.02 0.00 0.00 0.00 0.00 33.22 32.40 3fxl n MET 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 3fxl s GLU 11 N -1.64 4.35 -0.07 3.17 2.12 -1.26 -4.99 118.70 120.38 3fxl s GLU 11 Ca 0.25 2.18 -0.10 0.00 0.36 0.00 0.00 54.97 57.65 3fxl s GLU 11 Cb 0.13 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.35 3fxl s GLU 11 CO 0.18 -0.26 0.25 0.15 -0.54 0.00 0.00 175.26 175.04 3fxl s LYS 12 N -0.87 3.66 -0.18 4.30 -0.14 -1.26 -4.39 119.74 120.85 3fxl s LYS 12 Ca 0.54 0.09 -0.01 0.00 -1.36 0.00 0.00 55.97 55.23 3fxl s LYS 12 Cb -0.39 -3.21 0.00 0.00 -1.68 0.00 0.00 37.83 32.55 3fxl s LYS 12 CO 0.45 0.73 -0.12 -1.01 -0.76 0.00 0.00 175.35 174.64 3fxl s HIS 13 N -1.00 2.85 0.25 3.18 3.76 -0.33 -4.96 115.29 119.05 3fxl s HIS 13 Ca 0.18 -1.14 0.10 0.00 -0.15 0.00 0.00 55.06 54.05 3fxl s HIS 13 Cb -0.14 -1.98 -0.05 0.00 1.11 0.00 0.00 32.58 31.53 3fxl s HIS 13 CO 0.08 -0.57 -0.16 -0.80 -0.85 0.00 0.00 174.74 172.43 3fxl s ASN 14 N 1.16 3.10 0.17 1.40 0.01 -1.26 -0.85 114.94 118.66 3fxl s ASN 14 Ca 0.01 -1.05 -0.13 0.00 -0.71 0.00 0.00 52.86 50.99 3fxl s ASN 14 Cb -0.14 -0.22 0.01 0.00 0.41 0.00 0.00 41.25 41.31 3fxl s ASN 14 CO -0.04 -0.09 0.40 0.00 -1.51 0.00 0.00 177.10 175.85 3fxl s ALA 15 N -2.75 -0.49 0.15 0.60 0.00 -1.18 -4.98 121.76 113.10 3fxl s ALA 15 Ca 0.27 -0.52 -0.23 0.00 0.00 0.00 0.00 51.96 51.47 3fxl s ALA 15 Cb -0.02 0.83 0.07 0.00 0.00 0.00 0.00 23.12 24.00 3fxl s ALA 15 CO 0.11 -0.71 0.62 1.14 0.00 0.00 0.00 175.76 176.92 3fxl s GLN 16 N -3.91 1.25 0.08 0.00 -2.07 -1.26 -0.94 119.66 112.81 3fxl s GLN 16 Ca 0.12 -0.46 -0.24 0.00 -1.82 0.00 0.00 55.36 52.96 3fxl s GLN 16 Cb 0.01 0.57 0.08 0.00 -1.09 0.00 0.00 33.01 32.59 3fxl s GLN 16 CO -0.02 -0.55 1.12 0.41 -1.32 0.00 0.00 175.29 174.93 3fxl n GLY 17 N -0.37 0.43 3.63 2.60 0.00 -0.86 -4.99 105.19 105.62 3fxl n GLY 17 Ca -0.16 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 3fxl n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fxl s GLN 18 N -2.03 0.75 0.00 1.61 0.74 -1.26 -1.17 119.66 118.30 3fxl s GLN 18 Ca 0.26 0.84 0.00 0.00 0.05 0.00 0.00 55.36 56.51 3fxl s GLN 18 Cb -0.02 0.37 0.00 0.00 1.10 0.00 0.00 33.01 34.46 3fxl s GLN 18 CO 0.03 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 3fxl n GLY 19 N 2.45 3.81 2.34 2.59 0.00 -0.96 -5.00 105.19 110.41 3fxl n GLY 19 Ca -0.14 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 3fxl n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fxl n ASN 20 N 0.00 -4.39 0.00 1.61 3.02 -1.26 -1.76 115.26 112.48 3fxl n ASN 20 Ca 0.00 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 3fxl n ASN 20 Cb 0.00 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 3fxl n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fxl n GLY 21 N -1.07 0.69 3.88 7.41 0.00 -1.26 -5.01 105.19 109.83 3fxl n GLY 21 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 3fxl n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fxl s LEU 22 N 0.00 4.06 -0.00 0.99 1.43 -0.72 -3.90 118.68 120.54 3fxl s LEU 22 Ca 0.00 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 3fxl s LEU 22 Cb 0.00 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 3fxl s LEU 22 CO 0.00 -0.00 -0.09 -0.13 0.23 0.00 0.00 176.35 176.36 3fxl s ARG 23 N -3.58 0.68 0.03 1.70 0.52 -0.88 -2.27 118.95 115.15 3fxl s ARG 23 Ca 0.33 -0.34 0.02 0.00 -0.52 0.00 0.00 55.73 55.23 3fxl s ARG 23 Cb -0.09 -0.66 -0.02 0.00 0.52 0.00 0.00 34.95 34.70 3fxl s ARG 23 CO 0.26 0.18 -0.07 1.52 0.02 0.00 0.00 175.30 177.21 3fxl s TYR 24 N -0.27 0.62 0.16 -0.53 -0.85 -0.32 -0.14 117.35 116.02 3fxl s TYR 24 Ca 0.03 -0.40 0.06 0.00 -0.52 0.00 0.00 57.07 56.24 3fxl s TYR 24 Cb -0.04 -0.38 -0.04 0.00 0.38 0.00 0.00 41.96 41.89 3fxl s TYR 24 CO -0.00 -0.07 -0.14 0.20 -1.52 0.00 0.00 175.55 174.03 3fxl s GLY 25 N -1.22 1.22 0.05 5.49 0.00 -0.73 -2.04 107.32 110.09 3fxl s GLY 25 Ca -0.07 -1.48 -0.03 0.00 0.00 0.00 0.00 44.72 43.14 3fxl s GLY 25 CO 0.00 -1.56 0.03 0.48 0.00 0.00 0.00 173.10 172.06 3fxl s LEU 26 N -2.92 2.12 -0.07 0.66 0.05 -0.12 -0.69 118.68 117.72 3fxl s LEU 26 Ca 0.16 -0.74 -0.04 0.00 0.05 0.00 0.00 54.13 53.56 3fxl s LEU 26 Cb -0.02 0.41 0.03 0.00 -2.05 0.00 0.00 46.19 44.56 3fxl s LEU 26 CO 0.04 -0.54 0.16 -0.55 -0.55 0.00 0.00 176.35 174.90 3fxl s SER 27 N -2.45 -0.14 0.02 1.48 0.15 -0.38 -3.11 113.70 109.27 3fxl s SER 27 Ca -0.00 0.32 0.04 0.00 0.70 0.00 0.00 55.95 57.01 3fxl s SER 27 Cb 0.02 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 3fxl s SER 27 CO -0.07 -0.12 -0.12 -0.94 1.20 0.00 0.00 173.24 173.19 3fxl s SER 28 N 0.81 1.44 -0.11 5.45 1.04 -0.03 -0.65 113.70 121.65 3fxl s SER 28 Ca -0.06 -0.35 -0.08 0.00 0.48 0.00 0.00 55.95 55.94 3fxl s SER 28 Cb -0.08 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 65.97 3fxl s SER 28 CO -0.04 0.06 0.27 -0.32 0.98 0.00 0.00 173.24 174.18 3fxl s MET 29 N -0.80 0.27 0.08 4.02 1.75 0.40 -1.18 119.30 123.85 3fxl s MET 29 Ca 0.02 0.46 -0.16 0.00 -1.25 0.00 0.00 55.69 54.75 3fxl s MET 29 Cb -0.06 0.03 -0.10 0.00 2.84 0.00 0.00 34.83 37.54 3fxl s MET 29 CO 0.00 -0.10 1.41 0.37 -0.65 0.00 0.00 175.02 176.06 3fxl h GLN 30 N 6.41 0.61 0.00 4.11 4.15 -1.77 -0.77 115.11 127.85 3fxl h GLN 30 Ca -0.32 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 58.78 3fxl h GLN 30 Cb 1.18 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.87 3fxl h GLN 30 CO 0.35 0.91 0.00 0.41 -1.93 0.00 0.00 178.83 178.57 3fxl n GLY 31 N 0.14 1.54 0.09 2.39 0.00 -0.31 -3.65 105.19 105.40 3fxl n GLY 31 Ca -0.04 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.43 3fxl n GLY 31 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fxl n TRP 32 N 10.36 0.62 -2.92 1.61 7.02 -1.26 -1.27 117.44 131.60 3fxl n TRP 32 Ca 0.00 0.22 -0.33 0.00 -1.02 0.00 0.00 57.50 56.37 3fxl n TRP 32 Cb 0.00 -0.86 -0.07 0.00 -2.42 0.00 0.00 31.31 27.97 3fxl n TRP 32 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3fxl s ARG 33 N -3.17 4.19 0.21 -0.99 1.81 -1.24 -0.85 118.95 118.91 3fxl s ARG 33 Ca 0.07 0.99 -0.10 0.00 -1.72 0.00 0.00 55.73 54.98 3fxl s ARG 33 Cb 0.11 -2.34 0.16 0.00 -0.45 0.00 0.00 34.95 32.43 3fxl s ARG 33 CO 0.44 0.07 1.86 0.28 -0.68 0.00 0.00 175.30 177.27 3fxl h VAL 34 N 2.02 1.21 -1.74 3.52 2.07 -1.89 -3.43 116.25 118.02 3fxl h VAL 34 Ca -0.48 -0.43 -0.54 0.00 0.82 0.00 0.00 66.70 66.07 3fxl h VAL 34 Cb 1.18 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 3fxl h VAL 34 CO 0.63 0.21 -0.49 -1.61 0.02 0.00 0.00 177.57 176.33 3fxl s GLU 35 N -6.04 2.38 -0.31 1.57 0.41 -1.26 -5.03 118.70 110.43 3fxl s GLU 35 Ca -0.13 -1.61 -0.06 0.00 -0.41 0.00 0.00 54.97 52.76 3fxl s GLU 35 Cb 0.15 -2.18 0.03 0.00 -1.78 0.00 0.00 34.13 30.35 3fxl s GLU 35 CO 0.79 -0.00 0.07 1.41 -0.49 0.00 0.00 175.26 177.04 3fxl s MET 36 N -3.92 2.82 0.00 1.61 -2.45 -1.26 -4.88 119.30 111.22 3fxl s MET 36 Ca 0.41 -1.04 0.02 0.00 -1.25 0.00 0.00 55.69 53.83 3fxl s MET 36 Cb -0.01 -3.37 0.03 0.00 1.25 0.00 0.00 34.83 32.73 3fxl s MET 36 CO 0.24 -0.55 0.83 0.39 1.05 0.00 0.00 175.02 176.98 3fxl n GLU 37 N 4.81 1.40 -2.66 4.11 1.02 -1.26 -4.86 120.64 123.20 3fxl n GLU 37 Ca -0.14 -1.17 -0.37 0.00 -0.02 0.00 0.00 57.16 55.46 3fxl n GLU 37 Cb 0.46 -1.04 -0.05 0.00 -0.02 0.00 0.00 31.44 30.79 3fxl n GLU 37 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fxl s ASP 38 N -0.64 7.17 0.14 1.62 1.11 -1.26 -0.41 116.67 124.41 3fxl s ASP 38 Ca 0.03 1.97 -0.02 0.00 0.18 0.00 0.00 52.55 54.71 3fxl s ASP 38 Cb 0.02 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 3fxl s ASP 38 CO 0.02 -0.19 0.08 0.00 1.18 0.00 0.00 175.17 176.26 3fxl s ALA 39 N -1.54 0.83 0.24 5.23 0.00 0.46 -4.93 121.76 122.04 3fxl s ALA 39 Ca 0.51 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 3fxl s ALA 39 Cb -0.22 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 3fxl s ALA 39 CO 0.28 -0.51 0.41 -3.38 0.00 0.00 0.00 175.76 172.56 3fxl s HIS 40 N -4.05 0.51 -0.00 0.00 -3.43 -1.26 -0.04 115.29 107.01 3fxl s HIS 40 Ca 0.25 -0.84 0.01 0.00 -0.80 0.00 0.00 55.06 53.67 3fxl s HIS 40 Cb 0.07 0.05 -0.00 0.00 -1.43 0.00 0.00 32.58 31.27 3fxl s HIS 40 CO 0.03 -0.93 -0.03 0.99 -2.00 0.00 0.00 174.74 172.80 3fxl s THR 41 N -4.04 0.21 -0.27 -5.38 2.01 0.05 -4.77 115.64 103.44 3fxl s THR 41 Ca 0.25 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.09 3fxl s THR 41 Cb 0.01 -0.19 0.16 0.00 0.01 0.00 0.00 72.50 72.49 3fxl s THR 41 CO 0.09 0.03 0.45 0.00 -0.69 0.00 0.00 174.62 174.51 3fxl s ALA 42 N -0.14 -1.50 -0.05 7.40 0.00 -1.26 -1.45 121.76 124.76 3fxl s ALA 42 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.84 3fxl s ALA 42 Cb -0.02 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 21.13 3fxl s ALA 42 CO -0.00 -1.50 -0.03 0.54 0.00 0.00 0.00 175.76 174.77 3fxl s VAL 43 N 2.64 0.46 -0.26 0.00 0.11 -0.60 -5.03 120.40 117.71 3fxl s VAL 43 Ca 0.13 -0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 59.05 3fxl s VAL 43 Cb -0.14 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 3fxl s VAL 43 CO -0.23 0.23 0.14 -0.63 -3.33 0.00 0.00 175.10 171.28 3fxl s ILE 44 N 1.24 4.94 0.00 7.04 1.01 -1.26 -1.04 121.20 133.13 3fxl s ILE 44 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.63 3fxl s ILE 44 Cb -0.14 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3fxl s ILE 44 CO -0.02 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3fxl n GLY 45 N 4.79 -1.23 3.60 6.18 0.00 0.52 -5.00 105.19 114.05 3fxl n GLY 45 Ca -0.15 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 3fxl n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fxl s LEU 46 N 0.00 3.21 1.05 0.99 1.43 -0.41 -4.92 118.68 120.03 3fxl s LEU 46 Ca 0.00 -0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 52.83 3fxl s LEU 46 Cb 0.00 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.44 3fxl s LEU 46 CO 0.00 0.31 -0.26 -0.81 0.23 0.00 0.00 176.35 175.82 3fxl n PRO 47 N 1.77 -0.90 -3.92 1.29 -0.04 -1.26 -2.53 135.00 129.41 3fxl n PRO 47 Ca -0.16 -0.24 -0.28 0.00 -0.04 0.00 0.00 63.50 62.77 3fxl n PRO 47 Cb 0.53 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 3fxl n PRO 47 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3fxl n SER 48 N -0.23 -2.74 0.00 3.54 7.64 -1.26 -2.89 113.62 117.68 3fxl n SER 48 Ca 0.01 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 59.02 3fxl n SER 48 Cb 0.62 -3.57 0.00 0.00 -1.01 0.00 0.00 64.21 60.26 3fxl n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fxl n GLY 49 N -1.68 0.64 1.89 0.23 0.00 -1.26 -4.95 105.19 100.06 3fxl n GLY 49 Ca -0.11 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 3fxl n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fxl n LEU 50 N 0.00 5.04 -0.31 0.99 4.77 -1.05 -4.81 117.00 121.63 3fxl n LEU 50 Ca 0.00 -4.56 0.11 0.00 -0.03 0.00 0.00 56.01 51.53 3fxl n LEU 50 Cb 0.00 -0.46 0.28 0.00 -2.33 0.00 0.00 43.42 40.92 3fxl n LEU 50 CO 0.00 1.92 1.10 -0.08 -1.33 0.00 0.00 177.39 178.99 3fxl h GLU 51 N 1.98 0.53 -0.39 3.23 4.81 -1.77 -0.08 114.58 122.89 3fxl h GLU 51 Ca 0.36 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3fxl h GLU 51 Cb 1.41 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3fxl h GLU 51 CO 0.78 0.35 0.00 -1.13 -0.73 0.00 0.00 179.01 178.28 3fxl n SER 52 N -4.93 1.88 -4.87 1.04 3.41 -1.26 -3.88 113.62 105.01 3fxl n SER 52 Ca 0.21 -2.06 -0.26 0.00 -0.26 0.00 0.00 58.87 56.49 3fxl n SER 52 Cb 0.57 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 3fxl n SER 52 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3fxl s TRP 53 N -1.61 3.32 0.13 7.33 0.51 -0.18 -4.05 118.94 124.40 3fxl s TRP 53 Ca 0.21 0.05 0.04 0.00 -2.12 0.00 0.00 56.10 54.29 3fxl s TRP 53 Cb 0.12 -1.59 -0.04 0.00 -0.81 0.00 0.00 33.47 31.15 3fxl s TRP 53 CO 0.13 0.52 -0.10 -1.12 -0.51 0.00 0.00 176.95 175.86 3fxl s SER 54 N -3.14 1.73 -0.04 2.95 0.01 0.27 -0.35 113.70 115.13 3fxl s SER 54 Ca 0.33 -0.95 -0.02 0.00 1.31 0.00 0.00 55.95 56.62 3fxl s SER 54 Cb -0.11 -0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.14 3fxl s SER 54 CO 0.26 -0.30 0.09 0.12 0.41 0.00 0.00 173.24 173.81 3fxl s PHE 55 N -3.04 -0.07 -0.01 2.43 5.36 -0.21 -0.69 117.98 121.75 3fxl s PHE 55 Ca 0.14 0.29 0.02 0.00 -0.96 0.00 0.00 56.93 56.42 3fxl s PHE 55 Cb 0.01 -0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.55 3fxl s PHE 55 CO 0.01 -0.12 -0.07 -0.06 -1.46 0.00 0.00 175.22 173.52 3fxl s PHE 56 N 1.00 0.66 -0.18 10.12 0.40 -0.43 -1.56 117.98 127.99 3fxl s PHE 56 Ca -0.08 -0.14 -0.21 0.00 -0.60 0.00 0.00 56.93 55.90 3fxl s PHE 56 Cb -0.11 -0.47 0.05 0.00 0.51 0.00 0.00 43.02 43.00 3fxl s PHE 56 CO -0.04 -0.05 0.56 0.00 0.70 0.00 0.00 175.22 176.39 3fxl s ALA 57 N 0.09 -1.40 -0.12 5.36 0.00 -0.53 -0.39 121.76 124.77 3fxl s ALA 57 Ca -0.01 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.42 3fxl s ALA 57 Cb -0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3fxl s ALA 57 CO -0.00 -0.28 -0.16 0.08 0.00 0.00 0.00 175.76 175.39 3fxl s VAL 58 N -0.03 2.74 -0.16 0.00 1.01 0.14 -0.77 120.40 123.33 3fxl s VAL 58 Ca -0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 3fxl s VAL 58 Cb -0.04 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3fxl s VAL 58 CO 0.02 0.53 -0.15 -0.31 0.00 0.00 0.00 175.10 175.20 3fxl s TYR 59 N 0.38 2.80 -0.51 5.22 2.02 0.94 -1.11 117.35 127.09 3fxl s TYR 59 Ca -0.13 -1.10 -0.13 0.00 -0.37 0.00 0.00 57.07 55.34 3fxl s TYR 59 Cb -0.16 -1.91 0.12 0.00 -0.40 0.00 0.00 41.96 39.61 3fxl s TYR 59 CO 0.06 -0.52 0.43 0.34 -1.57 0.00 0.00 175.55 174.29 3fxl s ASP 60 N 0.93 5.97 0.30 2.29 -1.08 -1.08 -0.41 116.67 123.60 3fxl s ASP 60 Ca -0.03 -1.83 -0.28 0.00 -0.52 0.00 0.00 52.55 49.89 3fxl s ASP 60 Cb -0.15 -2.12 -0.09 0.00 -1.46 0.00 0.00 42.92 39.10 3fxl s ASP 60 CO -0.02 -0.78 1.06 -0.83 0.52 0.00 0.00 175.17 175.12 3fxl s GLY 61 N 3.17 2.99 0.05 2.66 0.00 0.46 -1.81 107.32 114.83 3fxl s GLY 61 Ca 0.04 0.81 0.05 0.00 0.00 0.00 0.00 44.72 45.62 3fxl s GLY 61 CO 0.01 1.36 -0.15 -2.38 0.00 0.00 0.00 173.10 171.95 3fxl s HIS 62 N -1.29 1.26 -1.49 1.90 -3.43 0.13 -4.71 115.29 107.66 3fxl s HIS 62 Ca 0.47 -0.38 -0.11 0.00 -0.80 0.00 0.00 55.06 54.24 3fxl s HIS 62 Cb -0.29 -0.74 0.07 0.00 -1.43 0.00 0.00 32.58 30.19 3fxl s HIS 62 CO 0.36 0.05 0.97 0.00 -2.00 0.00 0.00 174.74 174.12 3fxl n ALA 63 N 1.71 -1.39 0.00 -1.38 0.00 -1.26 -0.48 120.51 117.71 3fxl n ALA 63 Ca -0.19 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3fxl n ALA 63 Cb 0.54 -4.24 0.00 0.00 0.00 0.00 0.00 19.45 15.76 3fxl n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fxl n GLY 64 N -1.71 3.12 0.36 0.00 0.00 -1.26 -3.23 105.19 102.47 3fxl n GLY 64 Ca -0.01 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 44.09 3fxl n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fxl n SER 65 N 0.00 1.60 -0.16 1.61 3.41 -1.26 -4.65 113.62 114.18 3fxl n SER 65 Ca 0.00 -1.30 -0.08 0.00 -0.26 0.00 0.00 58.87 57.22 3fxl n SER 65 Cb 0.00 0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3fxl n SER 65 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3fxl h GLN 66 N 1.77 -0.25 -0.22 4.33 7.50 -1.95 0.12 115.11 126.41 3fxl h GLN 66 Ca 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 58.65 59.14 3fxl h GLN 66 Cb 0.50 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.08 3fxl h GLN 66 CO 0.00 -0.17 0.02 0.28 -1.50 0.00 0.00 178.83 177.46 3fxl h VAL 67 N -0.26 1.24 -0.35 -0.54 2.07 -1.88 -1.63 116.25 114.91 3fxl h VAL 67 Ca 0.17 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.88 3fxl h VAL 67 Cb 0.57 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3fxl h VAL 67 CO -0.62 0.25 0.20 0.00 0.02 0.00 0.00 177.57 177.42 3fxl h ALA 68 N 0.82 0.43 -0.44 1.67 0.00 -1.73 -0.89 119.26 119.11 3fxl h ALA 68 Ca 0.06 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3fxl h ALA 68 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3fxl h ALA 68 CO 0.01 -0.16 -0.01 0.87 0.00 0.00 0.00 179.25 179.96 3fxl h LYS 69 N 0.40 0.73 -0.31 0.00 1.57 -0.76 -0.29 116.57 117.92 3fxl h LYS 69 Ca 0.14 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3fxl h LYS 69 Cb 0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3fxl h LYS 69 CO -0.07 0.76 0.05 -0.92 -0.57 0.00 0.00 179.45 178.70 3fxl h TYR 70 N 0.69 0.55 -0.50 -1.35 3.20 -0.98 -3.17 116.97 115.41 3fxl h TYR 70 Ca 0.13 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.97 3fxl h TYR 70 Cb 0.44 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 3fxl h TYR 70 CO 0.02 0.60 0.25 0.00 -1.64 0.00 0.00 178.16 177.40 3fxl n GLU 73 N -3.10 1.31 0.00 0.00 1.02 -1.07 -4.59 120.64 114.21 3fxl n GLU 73 Ca -0.01 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3fxl n GLU 73 Cb 0.18 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 3fxl n GLU 73 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3fxl n HIS 74 N -1.59 0.00 -0.30 -0.32 8.25 -0.70 -4.83 115.22 115.73 3fxl n HIS 74 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 3fxl n HIS 74 Cb 0.31 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.54 3fxl n HIS 74 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3fxl h LEU 75 N 0.00 0.85 -0.06 2.41 5.85 -0.87 -2.59 115.31 120.90 3fxl h LEU 75 Ca 0.00 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3fxl h LEU 75 Cb 0.00 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3fxl h LEU 75 CO 0.00 0.57 -0.08 0.25 -0.34 0.00 0.00 178.44 178.84 3fxl h LEU 76 N 0.99 -0.23 -0.88 2.25 6.46 -1.88 -1.38 115.31 120.64 3fxl h LEU 76 Ca 0.35 0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 58.04 3fxl h LEU 76 Cb 0.09 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 3fxl h LEU 76 CO -0.14 -0.11 -0.51 -2.24 -0.62 0.00 0.00 178.44 174.82 3fxl h ASP 77 N -0.10 0.13 -0.34 1.25 3.04 -1.89 -0.53 116.42 117.98 3fxl h ASP 77 Ca 0.05 -0.07 -0.01 0.00 -3.24 0.00 0.00 57.03 53.76 3fxl h ASP 77 Cb 0.18 -0.04 -0.02 0.00 -1.04 0.00 0.00 39.33 38.41 3fxl h ASP 77 CO -0.12 0.62 0.18 0.45 -2.04 0.00 0.00 179.24 178.33 3fxl h HIS 78 N 0.10 0.51 -0.02 4.15 3.86 -1.16 -0.26 115.15 122.33 3fxl h HIS 78 Ca 0.00 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 3fxl h HIS 78 Cb 0.94 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 29.24 3fxl h HIS 78 CO 0.01 0.39 -0.28 0.82 0.86 0.00 0.00 177.93 179.73 3fxl h ILE 79 N 0.53 1.50 0.00 2.45 2.04 -0.68 -3.35 117.51 120.00 3fxl h ILE 79 Ca 0.13 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 64.13 3fxl h ILE 79 Cb 0.06 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 3fxl h ILE 79 CO -0.02 0.52 -0.51 0.71 0.00 0.00 0.00 178.15 178.85 3fxl h THR 80 N -0.40 0.00 -0.89 -0.27 1.35 -1.13 -3.38 112.91 108.20 3fxl h THR 80 Ca -0.03 -0.93 -0.54 0.00 -0.55 0.00 0.00 66.41 64.36 3fxl h THR 80 Cb 0.99 1.67 -0.28 0.00 -1.73 0.00 0.00 68.15 68.80 3fxl h THR 80 CO 0.06 0.00 0.51 0.59 -0.25 0.00 0.00 175.52 176.43 3fxl n ASN 81 N -2.78 5.29 -4.49 5.36 3.02 -0.11 -4.45 115.26 117.10 3fxl n ASN 81 Ca 0.02 -3.72 -0.24 0.00 -0.03 0.00 0.00 54.58 50.61 3fxl n ASN 81 Cb 0.53 -0.82 -0.10 0.00 -0.61 0.00 0.00 39.78 38.77 3fxl n ASN 81 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3fxl s ASN 82 N -1.89 3.50 0.50 6.41 2.20 -1.26 -4.95 114.94 119.45 3fxl s ASN 82 Ca 0.58 -1.11 0.31 0.00 -0.94 0.00 0.00 52.86 51.69 3fxl s ASN 82 Cb 0.48 -0.30 1.13 0.00 -2.00 0.00 0.00 41.25 40.56 3fxl s ASN 82 CO 0.04 -0.11 1.89 0.06 -2.94 0.00 0.00 177.10 176.03 3fxl h GLN 83 N 2.19 0.00 -0.18 3.55 3.07 -1.94 -2.58 115.11 119.21 3fxl h GLN 83 Ca -0.41 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.23 3fxl h GLN 83 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.81 3fxl h GLN 83 CO 0.65 0.00 -0.27 -0.44 0.09 0.00 0.00 178.83 178.86 3fxl h ASP 84 N 0.00 0.56 0.21 0.06 3.32 -1.91 0.14 116.42 118.80 3fxl h ASP 84 Ca 0.00 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.52 3fxl h ASP 84 Cb 0.60 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3fxl h ASP 84 CO 0.00 0.97 -0.10 0.15 -1.72 0.00 0.00 179.24 178.54 3fxl h PHE 85 N 0.16 -0.26 0.31 4.55 3.04 -1.56 -3.31 116.94 119.87 3fxl h PHE 85 Ca 0.02 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 3fxl h PHE 85 Cb 0.85 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.45 3fxl h PHE 85 CO 0.09 0.02 -0.15 0.87 -2.02 0.00 0.00 178.31 177.12 3fxl h LYS 86 N -0.53 -0.40 0.00 1.11 1.57 -1.56 -3.42 116.57 113.33 3fxl h LYS 86 Ca -0.03 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fxl h LYS 86 Cb 0.40 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3fxl h LYS 86 CO 0.05 -0.19 0.00 0.41 -0.57 0.00 0.00 179.45 179.15 3fxl n GLY 87 N -0.95 2.26 3.53 3.86 0.00 0.49 -4.60 105.19 109.77 3fxl n GLY 87 Ca -0.10 0.18 -0.51 0.00 0.00 0.00 0.00 46.02 45.59 3fxl n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fxl n SER 88 N 1.51 0.65 -0.33 1.61 3.41 -1.26 -4.88 113.62 114.33 3fxl n SER 88 Ca 0.00 1.14 0.17 0.00 -0.26 0.00 0.00 58.87 59.92 3fxl n SER 88 Cb 0.00 -1.10 0.37 0.00 -0.26 0.00 0.00 64.21 63.21 3fxl n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fxl h ALA 89 N 3.02 1.69 -3.00 7.33 0.00 -2.01 -3.42 119.26 122.86 3fxl h ALA 89 Ca -0.43 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3fxl h ALA 89 Cb 1.38 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3fxl h ALA 89 CO 0.67 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.02 3fxl n GLY 90 N -1.32 -0.08 3.73 0.00 0.00 -1.26 -4.97 105.19 101.29 3fxl n GLY 90 Ca 0.26 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 3fxl n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxl s ALA 91 N -3.54 3.40 0.19 4.61 0.00 -1.26 -4.97 121.76 120.19 3fxl s ALA 91 Ca 0.00 0.88 -0.32 0.00 0.00 0.00 0.00 51.96 52.51 3fxl s ALA 91 Cb 0.00 -3.39 -0.15 0.00 0.00 0.00 0.00 23.12 19.58 3fxl s ALA 91 CO 0.00 -0.31 1.24 -0.35 0.00 0.00 0.00 175.76 176.33 3fxl n PRO 92 N 2.67 1.42 -1.72 0.00 -0.04 -1.26 -4.98 135.00 131.10 3fxl n PRO 92 Ca 0.04 0.51 -0.29 0.00 -0.04 0.00 0.00 63.50 63.72 3fxl n PRO 92 Cb 0.46 -2.05 0.12 0.00 -0.04 0.00 0.00 33.50 31.99 3fxl n PRO 92 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3fxl s SER 93 N 0.08 3.82 0.25 3.54 1.04 -1.26 -4.84 113.70 116.33 3fxl s SER 93 Ca 0.72 0.80 -0.06 0.00 0.48 0.00 0.00 55.95 57.89 3fxl s SER 93 Cb -0.79 -1.27 0.30 0.00 0.10 0.00 0.00 66.02 64.35 3fxl s SER 93 CO 0.51 -2.34 1.89 0.58 0.98 0.00 0.00 173.24 174.86 3fxl h VAL 94 N -1.36 1.15 -0.43 5.02 2.07 -1.99 -0.35 116.25 120.36 3fxl h VAL 94 Ca -0.48 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 3fxl h VAL 94 Cb 1.32 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3fxl h VAL 94 CO 0.60 0.21 0.11 -0.33 0.02 0.00 0.00 177.57 178.19 3fxl h GLU 95 N 1.16 0.69 -0.82 1.57 3.07 -1.98 0.89 114.58 119.16 3fxl h GLU 95 Ca 0.37 -0.16 0.06 0.00 -0.50 0.00 0.00 59.36 59.13 3fxl h GLU 95 Cb 0.01 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 27.77 3fxl h GLU 95 CO -0.12 0.69 0.50 -0.91 -1.40 0.00 0.00 179.01 177.77 3fxl h ASN 96 N 0.56 0.78 -0.05 1.42 -0.26 -1.66 0.17 115.58 116.55 3fxl h ASN 96 Ca 0.14 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 3fxl h ASN 96 Cb 0.31 -0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.42 3fxl h ASN 96 CO 0.00 0.50 -0.01 0.58 -1.06 0.00 0.00 177.43 177.45 3fxl h VAL 97 N 0.92 1.27 -0.67 2.81 2.07 -0.76 0.58 116.25 122.47 3fxl h VAL 97 Ca 0.36 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3fxl h VAL 97 Cb 0.17 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3fxl h VAL 97 CO -0.17 0.23 0.31 0.11 0.02 0.00 0.00 177.57 178.06 3fxl h LYS 98 N -0.24 0.97 -0.34 1.57 1.57 -0.59 -1.92 116.57 117.60 3fxl h LYS 98 Ca 0.01 -0.15 -0.17 0.00 -1.87 0.00 0.00 60.65 58.47 3fxl h LYS 98 Cb 0.37 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3fxl h LYS 98 CO 0.00 0.78 -0.46 -0.91 -0.57 0.00 0.00 179.45 178.30 3fxl h ASN 99 N 0.93 0.98 -0.84 0.86 -0.26 -0.70 -2.78 115.58 113.77 3fxl h ASN 99 Ca 0.23 -0.48 0.06 0.00 -0.56 0.00 0.00 56.30 55.54 3fxl h ASN 99 Cb 0.14 -0.28 -0.06 0.00 -1.06 0.00 0.00 38.32 37.06 3fxl h ASN 99 CO -0.03 1.28 0.52 1.23 -1.06 0.00 0.00 177.43 179.38 3fxl h GLY 100 N 0.75 1.25 0.93 2.83 0.00 -0.69 -1.55 103.07 106.59 3fxl h GLY 100 Ca 0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3fxl h GLY 100 CO 0.11 0.27 0.10 -2.22 0.00 0.00 0.00 176.54 174.80 3fxl h ILE 101 N 0.96 1.22 -0.13 2.60 2.04 -1.37 0.23 117.51 123.06 3fxl h ILE 101 Ca 0.36 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.50 3fxl h ILE 101 Cb 0.15 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3fxl h ILE 101 CO -0.16 0.25 0.01 -0.09 0.00 0.00 0.00 178.15 178.16 3fxl h ARG 102 N 0.45 0.05 -0.42 2.37 2.43 -1.19 -1.11 114.38 116.97 3fxl h ARG 102 Ca 0.12 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3fxl h ARG 102 Cb 0.29 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3fxl h ARG 102 CO -0.00 0.04 0.21 1.15 -1.51 0.00 0.00 179.97 179.85 3fxl h THR 103 N 0.06 1.17 -0.49 0.20 2.02 -1.29 -1.76 112.91 112.82 3fxl h THR 103 Ca 0.06 -0.48 0.09 0.00 0.77 0.00 0.00 66.41 66.85 3fxl h THR 103 Cb 0.07 0.72 -0.07 0.00 -1.74 0.00 0.00 68.15 67.12 3fxl h THR 103 CO -0.10 0.18 0.06 1.23 0.37 0.00 0.00 175.52 177.27 3fxl h GLY 104 N 0.54 0.56 0.98 2.16 0.00 -0.69 0.16 103.07 106.78 3fxl h GLY 104 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3fxl h GLY 104 CO -0.02 -0.10 0.21 0.74 0.00 0.00 0.00 176.54 177.37 3fxl h PHE 105 N 0.18 0.44 -0.24 5.60 -1.00 -0.90 -1.02 116.94 120.01 3fxl h PHE 105 Ca 0.25 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.88 3fxl h PHE 105 Cb 0.35 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 3fxl h PHE 105 CO -0.26 0.32 -0.44 -0.07 -1.61 0.00 0.00 178.31 176.24 3fxl h LEU 106 N 0.44 0.64 -0.00 1.54 3.38 -0.98 -2.64 115.31 117.68 3fxl h LEU 106 Ca 0.12 -0.30 -0.27 0.00 0.09 0.00 0.00 57.88 57.53 3fxl h LEU 106 Cb -0.00 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 40.59 3fxl h LEU 106 CO -0.02 0.99 -1.03 -0.33 0.09 0.00 0.00 178.44 178.14 3fxl h GLU 107 N 0.48 0.70 -0.40 1.13 5.08 -0.63 -2.61 114.58 118.34 3fxl h GLU 107 Ca 0.03 -0.75 -0.05 0.00 -1.00 0.00 0.00 59.36 57.59 3fxl h GLU 107 Cb 0.96 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3fxl h GLU 107 CO 0.09 1.33 0.02 0.97 -1.00 0.00 0.00 179.01 180.42 3fxl h ILE 108 N 0.39 1.21 0.39 3.13 2.10 -1.23 0.11 117.51 123.61 3fxl h ILE 108 Ca -0.13 -0.83 -0.02 0.00 1.08 0.00 0.00 64.86 64.97 3fxl h ILE 108 Cb 1.69 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 38.31 3fxl h ILE 108 CO 0.20 0.29 -0.19 -0.78 -1.08 0.00 0.00 178.15 176.59 3fxl h ASP 109 N 0.59 -0.45 -0.81 2.19 3.58 -1.47 0.07 116.42 120.12 3fxl h ASP 109 Ca 0.13 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3fxl h ASP 109 Cb 0.34 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 3fxl h ASP 109 CO 0.01 -0.19 0.52 -0.08 -2.88 0.00 0.00 179.24 176.63 3fxl h GLU 110 N -0.70 1.08 -0.52 0.28 4.81 -1.47 -0.52 114.58 117.55 3fxl h GLU 110 Ca -0.05 -0.08 0.07 0.00 -0.13 0.00 0.00 59.36 59.17 3fxl h GLU 110 Cb 0.50 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 3fxl h GLU 110 CO 0.09 0.73 0.19 1.25 -0.73 0.00 0.00 179.01 180.54 3fxl h HIS 111 N 1.11 0.33 -0.34 0.92 2.76 -0.64 -0.93 115.15 118.36 3fxl h HIS 111 Ca 0.30 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.36 3fxl h HIS 111 Cb -0.10 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 3fxl h HIS 111 CO -0.01 0.10 -0.31 0.52 -1.30 0.00 0.00 177.93 176.93 3fxl h MET 112 N 0.36 0.75 -0.24 5.26 2.86 -0.54 -2.09 114.93 121.28 3fxl h MET 112 Ca 0.25 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3fxl h MET 112 Cb 0.28 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3fxl h MET 112 CO -0.26 0.96 0.08 -0.09 1.06 0.00 0.00 176.91 178.66 3fxl h ARG 113 N 0.63 0.19 -0.48 1.72 2.43 -0.58 -1.29 114.38 116.99 3fxl h ARG 113 Ca 0.07 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 3fxl h ARG 113 Cb 0.84 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3fxl h ARG 113 CO 0.07 0.13 -0.06 -0.39 -1.51 0.00 0.00 179.97 178.21 3fxl h VAL 114 N 0.20 1.26 -0.92 0.20 -1.51 -1.06 -1.51 116.25 112.89 3fxl h VAL 114 Ca 0.11 -1.12 -0.00 0.00 -1.23 0.00 0.00 66.70 64.45 3fxl h VAL 114 Cb 0.07 0.95 -0.04 0.00 -2.13 0.00 0.00 31.29 30.14 3fxl h VAL 114 CO -0.11 0.39 0.57 0.24 -1.23 0.00 0.00 177.57 177.44 3fxl h MET 115 N 0.77 1.24 -0.12 5.19 2.86 -1.16 0.96 114.93 124.67 3fxl h MET 115 Ca 0.14 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3fxl h MET 115 Cb 0.55 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 3fxl h MET 115 CO 0.03 0.85 -0.03 1.03 1.06 0.00 0.00 176.91 179.85 3fxl h SER 116 N 1.26 0.23 -0.01 1.22 0.87 -1.11 -1.41 113.55 114.60 3fxl h SER 116 Ca 0.33 -0.37 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3fxl h SER 116 Cb -0.08 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3fxl h SER 116 CO -0.07 0.55 -0.03 -0.08 -0.53 0.00 0.00 176.83 176.67 3fxl h GLU 117 N -0.09 -0.05 -0.17 2.24 4.81 -1.10 0.28 114.58 120.50 3fxl h GLU 117 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3fxl h GLU 117 Cb 0.45 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3fxl h GLU 117 CO 0.01 -0.03 0.11 -0.22 -0.73 0.00 0.00 179.01 178.15 3fxl h LYS 118 N -0.05 0.22 -0.27 1.92 3.64 -0.83 -3.00 116.57 118.19 3fxl h LYS 118 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3fxl h LYS 118 Cb 0.08 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3fxl h LYS 118 CO -0.04 0.15 0.00 1.63 -2.27 0.00 0.00 179.45 178.92 3fxl n LYS 119 N -4.97 1.71 -3.72 1.90 5.02 -0.53 -4.95 118.16 112.62 3fxl n LYS 119 Ca -0.04 -1.10 -0.25 0.00 -2.02 0.00 0.00 58.31 54.90 3fxl n LYS 119 Cb 0.03 -1.29 0.03 0.00 -0.02 0.00 0.00 35.03 33.78 3fxl n LYS 119 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3fxl n HIS 120 N 0.37 -1.88 -2.29 2.13 8.25 -0.59 -4.92 115.22 116.28 3fxl n HIS 120 Ca 0.12 0.69 -0.41 0.00 -0.26 0.00 0.00 57.72 57.86 3fxl n HIS 120 Cb 0.28 -3.90 -0.03 0.00 1.12 0.00 0.00 29.99 27.46 3fxl n HIS 120 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3fxl s GLY 121 N -4.00 2.96 -0.06 -1.41 0.00 -0.01 -4.97 107.32 99.83 3fxl s GLY 121 Ca 0.19 1.08 0.14 0.00 0.00 0.00 0.00 44.72 46.13 3fxl s GLY 121 CO 0.84 1.75 0.58 0.00 0.00 0.00 0.00 173.10 176.28 3fxl n ALA 122 N 1.22 1.57 -1.77 3.20 0.00 -1.26 -4.92 120.51 118.55 3fxl n ALA 122 Ca 0.00 -0.83 -0.36 0.00 0.00 0.00 0.00 53.44 52.26 3fxl n ALA 122 Cb 0.43 -0.75 0.01 0.00 0.00 0.00 0.00 19.45 19.14 3fxl n ALA 122 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3fxl s ASP 123 N -5.93 5.68 -0.32 0.00 -4.77 -1.26 -4.95 116.67 105.13 3fxl s ASP 123 Ca -0.05 2.25 0.09 0.00 -3.30 0.00 0.00 52.55 51.53 3fxl s ASP 123 Cb 0.08 -2.59 0.46 0.00 -1.09 0.00 0.00 42.92 39.78 3fxl s ASP 123 CO 0.83 -1.25 1.16 0.54 0.70 0.00 0.00 175.17 177.14 3fxl n ARG 124 N -1.22 3.30 -1.75 2.11 3.00 -1.26 -5.08 116.66 115.76 3fxl n ARG 124 Ca 0.11 -4.14 -0.30 0.00 -0.01 0.00 0.00 57.85 53.52 3fxl n ARG 124 Cb 0.50 -2.17 0.07 0.00 0.00 0.00 0.00 32.46 30.87 3fxl n ARG 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3fxl s SER 125 N -3.60 4.85 0.25 0.55 1.04 -1.20 -4.66 113.70 110.94 3fxl s SER 125 Ca 0.47 1.13 -0.07 0.00 0.48 0.00 0.00 55.95 57.96 3fxl s SER 125 Cb 0.40 -1.85 -0.01 0.00 0.10 0.00 0.00 66.02 64.66 3fxl s SER 125 CO -0.01 -1.72 0.37 -0.83 0.98 0.00 0.00 173.24 172.03 3fxl s GLY 126 N -4.21 1.01 -0.17 7.32 0.00 0.37 -1.38 107.32 110.26 3fxl s GLY 126 Ca 0.60 -1.26 -0.16 0.00 0.00 0.00 0.00 44.72 43.90 3fxl s GLY 126 CO 0.52 -0.94 0.46 -0.45 0.00 0.00 0.00 173.10 172.70 3fxl s SER 127 N -3.11 -0.48 0.62 1.64 0.15 0.20 0.17 113.70 112.88 3fxl s SER 127 Ca 0.29 0.93 -0.13 0.00 0.70 0.00 0.00 55.95 57.74 3fxl s SER 127 Cb 0.02 0.94 -0.03 0.00 -1.71 0.00 0.00 66.02 65.24 3fxl s SER 127 CO 0.12 -0.16 1.04 0.42 1.20 0.00 0.00 173.24 175.86 3fxl s THR 128 N 0.26 4.26 -0.03 6.45 -4.23 -0.75 -0.30 115.64 121.29 3fxl s THR 128 Ca -0.00 0.87 0.01 0.00 -1.18 0.00 0.00 61.69 61.39 3fxl s THR 128 Cb -0.03 -3.58 0.01 0.00 1.34 0.00 0.00 72.50 70.24 3fxl s THR 128 CO 0.00 -0.83 -0.05 0.00 -0.54 0.00 0.00 174.62 173.21 3fxl s ALA 129 N -2.87 0.60 -0.03 3.99 0.00 -0.09 -2.63 121.76 120.73 3fxl s ALA 129 Ca 0.59 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.47 3fxl s ALA 129 Cb -0.13 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.68 3fxl s ALA 129 CO 0.46 0.03 -0.06 0.54 0.00 0.00 0.00 175.76 176.73 3fxl s VAL 130 N 0.60 0.59 0.35 0.00 0.11 -0.26 -0.32 120.40 121.46 3fxl s VAL 130 Ca -0.08 -0.23 -0.17 0.00 -2.93 0.00 0.00 61.98 58.57 3fxl s VAL 130 Cb -0.11 -0.55 0.06 0.00 -1.53 0.00 0.00 36.38 34.25 3fxl s VAL 130 CO -0.00 0.20 0.85 -0.83 -3.33 0.00 0.00 175.10 172.00 3fxl s GLY 131 N 0.37 0.35 -0.03 6.54 0.00 -0.47 0.28 107.32 114.36 3fxl s GLY 131 Ca -0.05 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.00 3fxl s GLY 131 CO 0.00 0.38 -0.11 -1.34 0.00 0.00 0.00 173.10 172.03 3fxl s VAL 132 N -2.14 0.96 -0.27 1.40 -7.23 0.48 -0.57 120.40 113.03 3fxl s VAL 132 Ca 0.17 -0.44 -0.12 0.00 -1.81 0.00 0.00 61.98 59.78 3fxl s VAL 132 Cb -0.05 -0.85 -0.05 0.00 0.56 0.00 0.00 36.38 36.00 3fxl s VAL 132 CO 0.10 0.29 0.24 -0.22 -0.31 0.00 0.00 175.10 175.21 3fxl s LEU 133 N 0.24 4.05 -0.26 1.32 0.20 -0.31 -1.31 118.68 122.61 3fxl s LEU 133 Ca -0.05 0.12 -0.04 0.00 0.69 0.00 0.00 54.13 54.84 3fxl s LEU 133 Cb -0.10 -2.22 0.01 0.00 -0.43 0.00 0.00 46.19 43.45 3fxl s LEU 133 CO 0.01 -0.07 0.00 -0.63 -0.29 0.00 0.00 176.35 175.38 3fxl s ILE 134 N 1.70 3.50 0.50 6.68 1.01 0.14 -0.50 121.20 134.23 3fxl s ILE 134 Ca 0.10 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.13 3fxl s ILE 134 Cb -0.15 -2.73 0.05 0.00 0.01 0.00 0.00 42.46 39.63 3fxl s ILE 134 CO 0.09 0.22 0.68 -0.94 0.00 0.00 0.00 174.94 175.00 3fxl s SER 135 N 1.45 5.37 0.56 3.58 1.04 -0.25 -0.56 113.70 124.88 3fxl s SER 135 Ca 0.03 -0.65 0.24 0.00 0.48 0.00 0.00 55.95 56.06 3fxl s SER 135 Cb -0.16 -0.17 1.56 0.00 0.10 0.00 0.00 66.02 67.35 3fxl s SER 135 CO -0.01 -1.05 2.17 -0.65 0.98 0.00 0.00 173.24 174.67 3fxl h PRO 136 N 0.41 0.00 -0.00 4.02 0.11 -2.00 -3.24 132.00 131.30 3fxl h PRO 136 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3fxl h PRO 136 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3fxl h PRO 136 CO 0.43 0.00 -0.02 1.04 -0.21 0.00 0.00 178.00 179.24 3fxl n GLN 137 N -4.13 1.81 -4.13 1.05 6.02 -1.26 -4.94 117.38 111.79 3fxl n GLN 137 Ca -0.01 -0.38 -0.15 0.00 -0.01 0.00 0.00 57.00 56.45 3fxl n GLN 137 Cb 0.17 -0.86 -0.12 0.00 1.02 0.00 0.00 30.24 30.45 3fxl n GLN 137 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3fxl s HIS 138 N -0.47 0.87 -0.28 1.08 3.76 -1.23 -0.98 115.29 118.04 3fxl s HIS 138 Ca 0.01 -0.44 -0.05 0.00 -0.15 0.00 0.00 55.06 54.44 3fxl s HIS 138 Cb 0.01 -0.51 0.02 0.00 1.11 0.00 0.00 32.58 33.21 3fxl s HIS 138 CO 0.03 -0.03 0.03 0.99 -0.85 0.00 0.00 174.74 174.91 3fxl s THR 139 N -1.19 3.51 -0.44 1.30 2.01 0.16 -1.09 115.64 119.91 3fxl s THR 139 Ca -0.06 -0.89 -0.16 0.00 0.31 0.00 0.00 61.69 60.90 3fxl s THR 139 Cb -0.09 -2.83 0.04 0.00 0.01 0.00 0.00 72.50 69.63 3fxl s THR 139 CO 0.01 0.09 0.38 -0.31 -0.69 0.00 0.00 174.62 174.09 3fxl s TYR 140 N 1.42 3.22 0.19 4.92 2.02 0.35 -0.65 117.35 128.80 3fxl s TYR 140 Ca 0.01 -0.66 -0.30 0.00 -0.37 0.00 0.00 57.07 55.75 3fxl s TYR 140 Cb -0.17 -2.90 -0.08 0.00 -0.40 0.00 0.00 41.96 38.41 3fxl s TYR 140 CO -0.00 -0.71 1.03 -0.06 -1.57 0.00 0.00 175.55 174.24 3fxl s PHE 141 N 1.81 3.74 -0.09 2.71 0.40 0.01 -1.16 117.98 125.40 3fxl s PHE 141 Ca 0.07 1.74 0.02 0.00 -0.60 0.00 0.00 56.93 58.15 3fxl s PHE 141 Cb -0.20 -3.15 0.01 0.00 0.51 0.00 0.00 43.02 40.19 3fxl s PHE 141 CO 0.10 -0.14 -0.13 0.42 0.70 0.00 0.00 175.22 176.17 3fxl s ILE 142 N -0.51 1.28 -0.02 0.64 1.01 0.27 -1.63 121.20 122.24 3fxl s ILE 142 Ca 0.46 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.59 3fxl s ILE 142 Cb -0.27 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.02 3fxl s ILE 142 CO 0.34 0.39 -0.03 0.21 0.00 0.00 0.00 174.94 175.85 3fxl s ASN 143 N 0.91 0.49 -0.32 3.58 3.84 -0.20 -1.36 114.94 121.88 3fxl s ASN 143 Ca -0.09 -0.06 0.00 0.00 0.21 0.00 0.00 52.86 52.92 3fxl s ASN 143 Cb -0.15 -0.14 0.14 0.00 -0.55 0.00 0.00 41.25 40.54 3fxl s ASN 143 CO 0.00 -0.01 0.28 0.00 -2.79 0.00 0.00 177.10 174.58 3fxl n GLY 145 N 4.83 0.34 0.70 0.00 0.00 -1.23 -0.92 105.19 108.91 3fxl n GLY 145 Ca 0.03 -2.17 0.08 0.00 0.00 0.00 0.00 46.02 43.96 3fxl n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fxl n ASP 146 N 0.00 3.43 -4.79 1.61 3.85 -1.26 -1.33 116.55 118.06 3fxl n ASP 146 Ca 0.00 -2.79 -0.31 0.00 -0.71 0.00 0.00 54.79 50.98 3fxl n ASP 146 Cb 0.00 -0.45 0.08 0.00 -1.35 0.00 0.00 41.12 39.40 3fxl n ASP 146 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 3fxl s SER 147 N -1.84 4.84 0.01 -1.12 0.01 -1.26 -4.04 113.70 110.29 3fxl s SER 147 Ca 0.35 1.72 -0.01 0.00 1.31 0.00 0.00 55.95 59.32 3fxl s SER 147 Cb 0.28 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 3fxl s SER 147 CO 0.09 -1.81 0.01 -0.60 0.41 0.00 0.00 173.24 171.34 3fxl s ARG 148 N -4.97 0.19 0.15 12.44 3.52 -0.54 -4.79 118.95 124.96 3fxl s ARG 148 Ca 0.60 -0.30 0.09 0.00 -0.13 0.00 0.00 55.73 55.98 3fxl s ARG 148 Cb -0.16 0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.27 3fxl s ARG 148 CO 0.56 -0.03 -0.19 0.20 -0.81 0.00 0.00 175.30 175.02 3fxl s GLY 149 N -0.78 1.37 0.07 8.12 0.00 -1.26 -1.97 107.32 112.87 3fxl s GLY 149 Ca -0.09 -1.42 -0.10 0.00 0.00 0.00 0.00 44.72 43.11 3fxl s GLY 149 CO -0.00 -1.46 0.22 0.48 0.00 0.00 0.00 173.10 172.34 3fxl s LEU 150 N -2.43 1.28 -0.17 0.66 0.05 0.04 -1.36 118.68 116.76 3fxl s LEU 150 Ca 0.13 -0.51 -0.00 0.00 0.05 0.00 0.00 54.13 53.80 3fxl s LEU 150 Cb -0.07 1.11 0.00 0.00 -2.05 0.00 0.00 46.19 45.18 3fxl s LEU 150 CO 0.06 -0.69 -0.15 -0.22 -0.55 0.00 0.00 176.35 174.81 3fxl s LEU 151 N -2.59 2.47 -0.34 1.48 0.20 -0.36 -1.50 118.68 118.03 3fxl s LEU 151 Ca 0.01 -0.49 -0.16 0.00 0.69 0.00 0.00 54.13 54.18 3fxl s LEU 151 Cb 0.03 -1.57 -0.01 0.00 -0.43 0.00 0.00 46.19 44.21 3fxl s LEU 151 CO -0.09 0.06 0.41 0.00 -0.29 0.00 0.00 176.35 176.44 3fxl s ARG 153 N 2.14 2.70 -1.29 0.00 3.52 -0.54 -1.53 118.95 123.95 3fxl s ARG 153 Ca 0.14 -0.76 -0.04 0.00 -0.13 0.00 0.00 55.73 54.95 3fxl s ARG 153 Cb -0.16 -2.10 0.01 0.00 -1.56 0.00 0.00 34.95 31.14 3fxl s ARG 153 CO 0.12 0.11 1.01 -1.71 -0.81 0.00 0.00 175.30 174.03 3fxl n ASN 154 N 3.68 -3.42 0.00 -2.12 2.85 -0.69 -2.19 115.26 113.37 3fxl n ASN 154 Ca -0.20 -0.64 0.00 0.00 -0.11 0.00 0.00 54.58 53.63 3fxl n ASN 154 Cb 0.52 -4.85 0.00 0.00 1.24 0.00 0.00 39.78 36.69 3fxl n ASN 154 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3fxl n ARG 155 N -4.46 -0.93 -4.24 1.20 1.74 -1.26 -4.98 116.66 103.74 3fxl n ARG 155 Ca -0.18 0.23 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 3fxl n ARG 155 Cb 0.63 -4.03 -0.10 0.00 -1.02 0.00 0.00 32.46 27.93 3fxl n ARG 155 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3fxl s LYS 156 N -1.02 1.06 -0.45 5.56 1.02 -0.93 -5.00 119.74 119.97 3fxl s LYS 156 Ca 0.00 -1.48 -0.28 0.00 0.02 0.00 0.00 55.97 54.23 3fxl s LYS 156 Cb 0.00 -0.41 -0.01 0.00 -0.52 0.00 0.00 37.83 36.89 3fxl s LYS 156 CO 0.00 -0.04 1.67 0.08 -0.92 0.00 0.00 175.35 176.14 3fxl s VAL 157 N -3.52 3.59 0.02 3.17 1.01 -1.26 -1.46 120.40 121.94 3fxl s VAL 157 Ca 0.19 0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.67 3fxl s VAL 157 Cb 0.05 -3.96 -0.29 0.00 0.00 0.00 0.00 36.38 32.18 3fxl s VAL 157 CO 0.01 -0.73 0.92 -0.74 0.00 0.00 0.00 175.10 174.57 3fxl h HIS 158 N 12.62 0.51 -2.28 5.22 2.76 -1.13 -3.48 115.15 129.38 3fxl h HIS 158 Ca -0.29 -0.37 -0.07 0.00 -2.20 0.00 0.00 60.37 57.43 3fxl h HIS 158 Cb 1.14 -0.02 -0.21 0.00 1.55 0.00 0.00 27.41 29.88 3fxl h HIS 158 CO 0.99 1.39 0.03 0.12 -1.30 0.00 0.00 177.93 179.16 3fxl s PHE 159 N -2.62 -0.59 0.03 5.26 2.19 -1.23 -5.01 117.98 116.01 3fxl s PHE 159 Ca -0.08 1.23 -0.03 0.00 0.33 0.00 0.00 56.93 58.37 3fxl s PHE 159 Cb 0.07 0.28 -0.02 0.00 -1.31 0.00 0.00 43.02 42.04 3fxl s PHE 159 CO 0.87 -0.45 0.04 -0.59 1.83 0.00 0.00 175.22 176.92 3fxl s PHE 160 N -0.53 0.24 0.27 10.12 -0.12 -1.26 -1.22 117.98 125.47 3fxl s PHE 160 Ca -0.06 -0.53 -0.30 0.00 -0.05 0.00 0.00 56.93 55.99 3fxl s PHE 160 Cb -0.03 -0.18 -0.09 0.00 -0.63 0.00 0.00 43.02 42.09 3fxl s PHE 160 CO 0.05 -0.30 1.07 0.95 -0.05 0.00 0.00 175.22 176.94 3fxl s THR 161 N -2.19 3.62 -0.32 -4.49 -4.23 -0.46 -5.01 115.64 102.57 3fxl s THR 161 Ca -0.09 1.62 -0.21 0.00 -1.18 0.00 0.00 61.69 61.84 3fxl s THR 161 Cb -0.04 -4.03 -0.00 0.00 1.34 0.00 0.00 72.50 69.76 3fxl s THR 161 CO -0.03 0.38 0.66 -1.10 -0.54 0.00 0.00 174.62 173.99 3fxl s GLN 162 N -1.33 3.85 0.29 3.99 -0.21 -1.26 -4.75 119.66 120.23 3fxl s GLN 162 Ca 0.44 0.28 -0.30 0.00 0.02 0.00 0.00 55.36 55.80 3fxl s GLN 162 Cb -0.31 -3.75 -0.12 0.00 1.00 0.00 0.00 33.01 29.83 3fxl s GLN 162 CO 0.39 -0.64 1.55 -0.25 -2.12 0.00 0.00 175.29 174.22 3fxl n ASP 163 N 5.99 3.62 -4.54 5.90 8.00 -1.26 -4.94 116.55 129.31 3fxl n ASP 163 Ca -0.00 1.15 -0.42 0.00 0.71 0.00 0.00 54.79 56.22 3fxl n ASP 163 Cb 0.49 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.12 39.99 3fxl n ASP 163 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3fxl s HIS 164 N -0.08 2.63 -0.09 1.24 3.76 -0.44 -4.96 115.29 117.34 3fxl s HIS 164 Ca 0.64 0.09 0.01 0.00 -0.15 0.00 0.00 55.06 55.65 3fxl s HIS 164 Cb -0.53 -4.35 -0.02 0.00 1.11 0.00 0.00 32.58 28.79 3fxl s HIS 164 CO 0.50 -1.59 -0.10 0.15 -0.85 0.00 0.00 174.74 172.85 3fxl s LYS 165 N 4.63 2.98 0.39 1.40 -0.14 -1.26 -3.49 119.74 124.25 3fxl s LYS 165 Ca 0.35 -0.62 0.20 0.00 -1.36 0.00 0.00 55.97 54.54 3fxl s LYS 165 Cb -0.10 -2.59 1.18 0.00 -1.68 0.00 0.00 37.83 34.64 3fxl s LYS 165 CO 0.20 0.48 1.70 -1.35 -0.76 0.00 0.00 175.35 175.62 3fxl h PRO 166 N 5.86 0.29 0.00 -1.68 0.11 -1.79 -0.63 132.00 134.17 3fxl h PRO 166 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3fxl h PRO 166 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3fxl h PRO 166 CO 0.54 0.19 0.00 -1.13 -0.21 0.00 0.00 178.00 177.40 3fxl n SER 167 N -4.76 0.00 -4.71 -2.05 3.41 -1.26 -2.19 113.62 102.06 3fxl n SER 167 Ca 0.30 0.23 -0.43 0.00 -0.26 0.00 0.00 58.87 58.71 3fxl n SER 167 Cb 1.05 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 3fxl n SER 167 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fxl n ASN 168 N -1.40 3.44 -0.25 4.04 4.13 -0.25 -4.75 115.26 120.21 3fxl n ASN 168 Ca 0.10 1.13 0.03 0.00 1.68 0.00 0.00 54.58 57.52 3fxl n ASN 168 Cb 0.28 -1.52 0.11 0.00 -1.54 0.00 0.00 39.78 37.10 3fxl n ASN 168 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3fxl h PRO 169 N 4.82 0.03 0.00 3.52 0.11 -1.89 -0.23 132.00 138.37 3fxl h PRO 169 Ca -0.46 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 3fxl h PRO 169 Cb 1.24 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3fxl h PRO 169 CO 0.80 0.02 -0.77 -0.07 -0.21 0.00 0.00 178.00 177.77 3fxl h LEU 170 N 0.04 0.00 0.16 2.35 3.38 -1.93 -2.56 115.31 116.74 3fxl h LEU 170 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 3fxl h LEU 170 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3fxl h LEU 170 CO -0.72 0.77 -0.08 -0.33 0.09 0.00 0.00 178.44 178.18 3fxl h GLU 171 N 0.00 -0.20 -0.56 1.13 4.39 -1.48 -2.56 114.58 115.30 3fxl h GLU 171 Ca -0.01 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.82 3fxl h GLU 171 Cb 1.40 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 30.00 3fxl h GLU 171 CO 0.10 0.13 -0.04 -0.22 -1.16 0.00 0.00 179.01 177.83 3fxl h LYS 172 N -0.57 0.08 -0.25 2.33 3.64 -0.59 -0.57 116.57 120.64 3fxl h LYS 172 Ca -0.02 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3fxl h LYS 172 Cb 0.43 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 3fxl h LYS 172 CO 0.04 0.05 -0.07 1.49 -2.27 0.00 0.00 179.45 178.69 3fxl h GLU 173 N 0.08 -0.01 -0.05 1.90 4.81 -1.47 -0.15 114.58 119.70 3fxl h GLU 173 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3fxl h GLU 173 Cb 0.44 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3fxl h GLU 173 CO -0.50 -0.01 0.03 -0.09 -0.73 0.00 0.00 179.01 177.71 3fxl h ARG 174 N -0.01 0.06 -0.41 1.92 2.43 -0.90 -0.20 114.38 117.27 3fxl h ARG 174 Ca 0.12 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 3fxl h ARG 174 Cb 0.20 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 3fxl h ARG 174 CO -0.27 0.04 0.06 0.82 -1.51 0.00 0.00 179.97 179.11 3fxl h ILE 175 N 0.06 0.76 -0.67 1.20 2.04 -0.87 -0.36 117.51 119.67 3fxl h ILE 175 Ca 0.02 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 3fxl h ILE 175 Cb -0.00 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3fxl h ILE 175 CO -0.01 0.03 0.10 1.56 0.00 0.00 0.00 178.15 179.83 3fxl h GLN 176 N 0.18 1.11 0.00 2.37 4.20 -0.86 0.07 115.11 122.18 3fxl h GLN 176 Ca 0.20 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 3fxl h GLN 176 Cb 0.26 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3fxl h GLN 176 CO -0.28 1.02 -0.19 -0.91 -0.67 0.00 0.00 178.83 177.80 3fxl h ASN 177 N 1.03 0.00 -0.40 1.46 -0.26 -0.66 -2.74 115.58 114.01 3fxl h ASN 177 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 3fxl h ASN 177 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 3fxl h ASN 177 CO 0.02 0.19 0.00 0.00 -1.06 0.00 0.00 177.43 176.57 3fxl n ALA 178 N -2.33 2.44 -0.23 -0.83 0.00 -0.18 -4.90 120.51 114.48 3fxl n ALA 178 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.69 3fxl n ALA 178 Cb 0.30 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3fxl n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fxl n GLY 179 N 1.19 0.65 0.00 0.00 0.00 -1.03 -4.84 105.19 101.16 3fxl n GLY 179 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3fxl n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fxl n GLY 180 N -2.03 1.67 3.26 -0.02 0.00 -0.03 -4.99 105.19 103.06 3fxl n GLY 180 Ca 0.00 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 3fxl n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fxl s SER 181 N -1.00 0.15 -0.25 1.61 1.04 -1.26 -3.88 113.70 110.11 3fxl s SER 181 Ca 0.00 -1.10 -0.07 0.00 0.48 0.00 0.00 55.95 55.26 3fxl s SER 181 Cb 0.00 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 3fxl s SER 181 CO 0.00 -0.84 0.05 -0.69 0.98 0.00 0.00 173.24 172.74 3fxl s VAL 182 N -4.04 4.16 -0.33 5.02 1.01 -1.26 -0.47 120.40 124.49 3fxl s VAL 182 Ca 0.24 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 3fxl s VAL 182 Cb 0.05 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.53 3fxl s VAL 182 CO 0.04 0.35 0.08 -0.04 0.00 0.00 0.00 175.10 175.53 3fxl s MET 183 N 1.59 2.57 2.39 2.72 -1.94 0.04 -4.88 119.30 121.79 3fxl s MET 183 Ca 0.06 -1.21 0.00 0.00 -1.71 0.00 0.00 55.69 52.83 3fxl s MET 183 Cb -0.15 -3.40 0.00 0.00 2.01 0.00 0.00 34.83 33.29 3fxl s MET 183 CO 0.03 -0.67 0.00 -0.89 -0.01 0.00 0.00 175.02 173.48 3fxl n ILE 184 N 4.77 0.00 -0.25 2.53 2.08 -1.26 -1.21 119.36 126.02 3fxl n ILE 184 Ca -0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.19 3fxl n ILE 184 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.33 3fxl n ILE 184 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3fxl n GLN 185 N 0.00 2.03 -5.14 0.38 1.13 -1.26 -4.81 117.38 109.71 3fxl n GLN 185 Ca 0.00 -1.19 -0.30 0.00 -1.94 0.00 0.00 57.00 53.58 3fxl n GLN 185 Cb 0.00 -0.88 -0.16 0.00 0.11 0.00 0.00 30.24 29.31 3fxl n GLN 185 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3fxl s ARG 186 N -0.70 2.30 -0.13 -1.09 0.52 -0.35 -4.40 118.95 115.11 3fxl s ARG 186 Ca 0.00 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 3fxl s ARG 186 Cb 0.00 -1.97 -0.07 0.00 0.52 0.00 0.00 34.95 33.42 3fxl s ARG 186 CO 0.00 0.34 2.11 0.28 0.02 0.00 0.00 175.30 178.06 3fxl n VAL 187 N 2.99 0.49 -2.25 3.52 0.31 0.30 -0.78 118.33 122.91 3fxl n VAL 187 Ca -0.18 -0.31 -0.14 0.00 -0.01 0.00 0.00 64.34 63.71 3fxl n VAL 187 Cb 0.52 -2.35 -0.02 0.00 -0.91 0.00 0.00 33.84 31.08 3fxl n VAL 187 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3fxl n ASN 188 N 9.75 -4.17 0.00 4.52 3.02 0.38 -1.60 115.26 127.16 3fxl n ASN 188 Ca 0.27 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 3fxl n ASN 188 Cb 0.40 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.00 3fxl n ASN 188 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fxl n GLY 189 N -0.74 0.68 0.92 7.41 0.00 -0.86 -4.89 105.19 107.71 3fxl n GLY 189 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 3fxl n GLY 189 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fxl n SER 190 N -0.05 1.17 -4.68 1.61 7.64 -0.62 -4.93 113.62 113.76 3fxl n SER 190 Ca 0.00 0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.63 3fxl n SER 190 Cb 0.03 -0.38 -0.04 0.00 -1.01 0.00 0.00 64.21 62.81 3fxl n SER 190 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3fxl s LEU 191 N -7.02 4.19 0.00 -3.43 2.96 -1.07 -4.83 118.68 109.48 3fxl s LEU 191 Ca -0.04 1.17 0.29 0.00 -0.22 0.00 0.00 54.13 55.33 3fxl s LEU 191 Cb 0.00 -3.21 1.31 0.00 0.50 0.00 0.00 46.19 44.80 3fxl s LEU 191 CO 0.05 -0.36 1.92 0.00 -1.32 0.00 0.00 176.35 176.64 3fxl n ALA 192 N 5.03 2.69 -2.40 5.97 0.00 -1.26 -0.54 120.51 129.98 3fxl n ALA 192 Ca 0.03 -0.23 -0.29 0.00 0.00 0.00 0.00 53.44 52.96 3fxl n ALA 192 Cb 0.49 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 3fxl n ALA 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3fxl s VAL 193 N -2.51 2.34 -0.49 0.00 -7.23 -1.26 -4.49 120.40 106.75 3fxl s VAL 193 Ca 0.29 -1.74 0.18 0.00 -1.81 0.00 0.00 61.98 58.89 3fxl s VAL 193 Cb 0.20 -2.05 -0.23 0.00 0.56 0.00 0.00 36.38 34.87 3fxl s VAL 193 CO 0.47 0.08 0.59 -1.54 -0.31 0.00 0.00 175.10 174.40 3fxl n SER 194 N 0.86 0.85 -3.96 4.85 3.41 -1.23 -4.76 113.62 113.64 3fxl n SER 194 Ca -0.17 -0.53 -0.19 0.00 -0.26 0.00 0.00 58.87 57.71 3fxl n SER 194 Cb 0.53 1.34 -0.16 0.00 -0.26 0.00 0.00 64.21 65.67 3fxl n SER 194 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3fxl s ARG 195 N -2.90 0.84 -0.08 4.33 0.52 -1.26 -1.80 118.95 118.60 3fxl s ARG 195 Ca 0.01 -0.23 -0.31 0.00 -0.52 0.00 0.00 55.73 54.68 3fxl s ARG 195 Cb 0.12 -0.80 0.12 0.00 0.52 0.00 0.00 34.95 34.91 3fxl s ARG 195 CO 0.73 0.06 1.01 0.00 0.02 0.00 0.00 175.30 177.12 3fxl s ALA 196 N 0.34 -1.92 0.28 2.13 0.00 -0.72 -3.49 121.76 118.38 3fxl s ALA 196 Ca -0.05 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 3fxl s ALA 196 Cb -0.09 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.03 3fxl s ALA 196 CO 0.00 -0.61 0.65 -0.51 0.00 0.00 0.00 175.76 175.29 3fxl s LEU 197 N -2.20 4.11 0.00 0.00 1.43 0.58 -3.75 118.68 118.85 3fxl s LEU 197 Ca 0.06 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 3fxl s LEU 197 Cb -0.01 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.32 3fxl s LEU 197 CO -0.06 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 176.98 3fxl n GLY 198 N -0.25 0.30 3.87 -3.19 0.00 -1.26 -0.63 105.19 104.03 3fxl n GLY 198 Ca 0.02 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 3fxl n GLY 198 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fxl n ASP 199 N 2.68 -2.65 0.28 1.61 8.00 -0.48 -4.89 116.55 121.10 3fxl n ASP 199 Ca 0.00 -0.85 0.13 0.00 0.71 0.00 0.00 54.79 54.78 3fxl n ASP 199 Cb 0.00 -3.72 0.81 0.00 -0.02 0.00 0.00 41.12 38.18 3fxl n ASP 199 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3fxl h PHE 200 N -1.92 0.00 0.00 1.24 0.04 -1.89 0.73 116.94 115.14 3fxl h PHE 200 Ca -0.60 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.17 3fxl h PHE 200 Cb 1.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.52 3fxl h PHE 200 CO 0.52 0.06 0.00 -0.44 -0.60 0.00 0.00 178.31 177.86 3fxl h ASP 201 N 0.00 0.00 -0.29 2.17 3.32 -1.95 -1.80 116.42 117.87 3fxl h ASP 201 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fxl h ASP 201 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3fxl h ASP 201 CO 0.01 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 3fxl n TYR 202 N -3.07 0.37 -2.20 4.55 4.02 0.25 -4.23 117.16 116.84 3fxl n TYR 202 Ca -0.03 -0.19 -0.20 0.00 -0.01 0.00 0.00 57.90 57.48 3fxl n TYR 202 Cb 0.10 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.44 3fxl n TYR 202 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3fxl n LYS 203 N 1.15 3.23 -0.09 -0.72 5.02 -0.68 -2.42 118.16 123.65 3fxl n LYS 203 Ca 0.18 -4.06 0.10 0.00 -2.02 0.00 0.00 58.31 52.51 3fxl n LYS 203 Cb 0.53 -2.14 0.13 0.00 -0.02 0.00 0.00 35.03 33.53 3fxl n LYS 203 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fxl s VAL 205 N -2.77 4.54 0.27 0.00 1.01 -1.26 -5.00 120.40 117.18 3fxl s VAL 205 Ca 0.31 1.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.85 3fxl s VAL 205 Cb 0.27 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 3fxl s VAL 205 CO 0.03 -0.16 1.16 -1.00 0.00 0.00 0.00 175.10 175.12 3fxl s HIS 206 N 3.30 3.45 0.00 5.22 3.76 -1.26 -3.66 115.29 126.10 3fxl s HIS 206 Ca 0.48 1.59 0.00 0.00 -0.15 0.00 0.00 55.06 56.98 3fxl s HIS 206 Cb -0.17 -3.39 0.00 0.00 1.11 0.00 0.00 32.58 30.13 3fxl s HIS 206 CO 0.09 -0.92 0.00 0.41 -0.85 0.00 0.00 174.74 173.47 3fxl n GLY 207 N 1.32 0.39 2.96 -2.22 0.00 -1.26 -5.05 105.19 101.33 3fxl n GLY 207 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 3fxl n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fxl s LYS 208 N -2.91 0.12 1.22 1.61 -0.14 -1.24 -5.17 119.74 113.22 3fxl s LYS 208 Ca 0.00 0.08 -0.17 0.00 -1.36 0.00 0.00 55.97 54.52 3fxl s LYS 208 Cb 0.00 0.05 0.29 0.00 -1.68 0.00 0.00 37.83 36.50 3fxl s LYS 208 CO 0.00 -0.02 1.03 0.20 -0.76 0.00 0.00 175.35 175.80 3fxl s GLY 209 N -0.05 1.52 0.53 -3.33 0.00 -1.26 -4.85 107.32 99.87 3fxl s GLY 209 Ca -0.01 -0.57 0.22 0.00 0.00 0.00 0.00 44.72 44.36 3fxl s GLY 209 CO 0.00 0.25 2.06 -2.55 0.00 0.00 0.00 173.10 172.86 3fxl h PRO 210 N -2.72 0.00 -0.71 2.90 0.11 -1.98 -1.65 132.00 127.96 3fxl h PRO 210 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3fxl h PRO 210 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3fxl h PRO 210 CO 0.42 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.46 3fxl n THR 211 N -4.39 0.98 -0.76 -1.15 -2.24 -1.26 -4.24 114.28 101.21 3fxl n THR 211 Ca 0.05 -0.99 0.07 0.00 -2.27 0.00 0.00 64.05 60.91 3fxl n THR 211 Cb 0.40 0.52 0.12 0.00 -2.10 0.00 0.00 70.33 69.28 3fxl n THR 211 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fxl n GLU 212 N 1.61 1.95 -2.32 -0.78 1.02 -0.62 -4.90 120.64 116.60 3fxl n GLU 212 Ca 0.24 -2.32 -0.26 0.00 -0.02 0.00 0.00 57.16 54.80 3fxl n GLU 212 Cb 0.62 -1.40 0.15 0.00 -0.02 0.00 0.00 31.44 30.78 3fxl n GLU 212 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3fxl s GLN 213 N -2.33 1.09 0.15 3.49 -1.52 -1.23 -4.60 119.66 114.71 3fxl s GLN 213 Ca 0.25 -0.89 -0.17 0.00 -1.95 0.00 0.00 55.36 52.60 3fxl s GLN 213 Cb 0.21 -2.11 0.02 0.00 -0.22 0.00 0.00 33.01 30.90 3fxl s GLN 213 CO 0.03 -1.96 1.79 -0.07 -0.25 0.00 0.00 175.29 174.83 3fxl h LEU 214 N -1.07 0.31 -8.70 2.90 3.38 -1.79 -3.41 115.31 106.93 3fxl h LEU 214 Ca -0.39 0.01 -0.65 0.00 0.09 0.00 0.00 57.88 56.94 3fxl h LEU 214 Cb 1.24 -0.06 -0.25 0.00 0.09 0.00 0.00 40.66 41.69 3fxl h LEU 214 CO 0.36 0.23 -0.73 -0.69 0.09 0.00 0.00 178.44 177.70 3fxl s VAL 215 N -6.16 3.33 -0.13 1.22 1.01 -1.20 -4.67 120.40 113.81 3fxl s VAL 215 Ca -0.13 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 3fxl s VAL 215 Cb 0.11 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3fxl s VAL 215 CO 0.71 0.52 0.04 -0.55 0.00 0.00 0.00 175.10 175.82 3fxl s SER 216 N 0.30 5.50 0.00 3.32 0.15 -0.74 -4.78 113.70 117.44 3fxl s SER 216 Ca -0.08 0.15 0.28 0.00 0.70 0.00 0.00 55.95 57.00 3fxl s SER 216 Cb -0.15 -1.75 1.35 0.00 -1.71 0.00 0.00 66.02 63.76 3fxl s SER 216 CO 0.05 0.30 1.91 -0.81 1.20 0.00 0.00 173.24 175.89 3fxl n PRO 217 N 2.67 1.37 -2.13 5.44 -0.04 -1.25 -1.75 135.00 139.31 3fxl n PRO 217 Ca -0.18 -0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 62.31 3fxl n PRO 217 Cb 0.53 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 3fxl n PRO 217 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3fxl s GLU 218 N -1.98 4.23 0.59 0.54 2.12 -1.26 -4.62 118.70 118.32 3fxl s GLU 218 Ca 0.40 2.05 -0.10 0.00 0.36 0.00 0.00 54.97 57.69 3fxl s GLU 218 Cb 0.20 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 3fxl s GLU 218 CO 0.33 -0.71 0.98 -1.25 -0.54 0.00 0.00 175.26 174.08 3fxl s PRO 219 N 3.16 3.59 -0.18 4.30 0.04 -1.26 -4.83 135.00 139.81 3fxl s PRO 219 Ca 0.67 0.65 -0.08 0.00 0.04 0.00 0.00 61.00 62.28 3fxl s PRO 219 Cb -0.32 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 3fxl s PRO 219 CO 0.27 -0.50 0.07 -2.00 0.04 0.00 0.00 177.00 174.87 3fxl s GLU 220 N -5.10 4.00 -0.05 4.56 2.12 0.65 -4.94 118.70 119.94 3fxl s GLU 220 Ca 0.54 -0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.58 3fxl s GLU 220 Cb -0.11 -3.23 -0.00 0.00 0.26 0.00 0.00 34.13 31.05 3fxl s GLU 220 CO 0.52 0.28 -0.18 0.08 -0.54 0.00 0.00 175.26 175.43 3fxl s VAL 221 N 0.36 1.49 -0.06 3.70 1.01 -1.26 -1.03 120.40 124.61 3fxl s VAL 221 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3fxl s VAL 221 Cb -0.12 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.99 3fxl s VAL 221 CO -0.00 0.43 -0.04 -1.00 0.00 0.00 0.00 175.10 174.49 3fxl s HIS 222 N 0.15 0.86 -0.16 5.22 3.76 -0.65 -4.98 115.29 119.49 3fxl s HIS 222 Ca -0.07 -0.28 -0.22 0.00 -0.15 0.00 0.00 55.06 54.34 3fxl s HIS 222 Cb -0.13 -0.80 -0.03 0.00 1.11 0.00 0.00 32.58 32.73 3fxl s HIS 222 CO 0.03 -0.28 0.67 0.34 -0.85 0.00 0.00 174.74 174.65 3fxl s ASP 223 N 1.32 6.80 -0.16 1.40 2.15 -1.26 -0.81 116.67 126.11 3fxl s ASP 223 Ca -0.04 0.97 0.01 0.00 0.43 0.00 0.00 52.55 53.91 3fxl s ASP 223 Cb -0.14 -2.38 0.02 0.00 -0.30 0.00 0.00 42.92 40.13 3fxl s ASP 223 CO -0.02 -0.25 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.92 3fxl s ILE 224 N 1.65 1.85 0.11 4.11 1.01 0.17 -4.99 121.20 125.10 3fxl s ILE 224 Ca 0.32 -0.81 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 3fxl s ILE 224 Cb -0.16 -1.69 -0.09 0.00 0.01 0.00 0.00 42.46 40.53 3fxl s ILE 224 CO 0.12 0.50 1.56 -1.61 0.00 0.00 0.00 174.94 175.52 3fxl s GLU 225 N 1.35 4.23 0.63 2.79 2.02 -1.26 -0.66 118.70 127.80 3fxl s GLU 225 Ca 0.04 2.28 -0.17 0.00 0.02 0.00 0.00 54.97 57.14 3fxl s GLU 225 Cb -0.13 -3.38 -0.01 0.00 0.10 0.00 0.00 34.13 30.71 3fxl s GLU 225 CO -0.11 -0.63 1.16 1.03 0.02 0.00 0.00 175.26 176.73 3fxl s ARG 226 N 1.82 2.82 -0.25 1.61 0.52 -0.15 -4.88 118.95 120.45 3fxl s ARG 226 Ca 0.70 1.64 -0.02 0.00 -0.52 0.00 0.00 55.73 57.53 3fxl s ARG 226 Cb -0.40 -1.93 0.08 0.00 0.52 0.00 0.00 34.95 33.22 3fxl s ARG 226 CO 0.31 -1.28 0.07 0.45 0.02 0.00 0.00 175.30 174.87 3fxl s SER 227 N -2.02 3.43 0.35 0.23 0.15 -1.26 -4.97 113.70 109.60 3fxl s SER 227 Ca 0.73 -1.19 0.03 0.00 0.70 0.00 0.00 55.95 56.21 3fxl s SER 227 Cb -0.26 -0.69 0.62 0.00 -1.71 0.00 0.00 66.02 63.99 3fxl s SER 227 CO 0.37 -0.36 1.96 -0.08 1.20 0.00 0.00 173.24 176.33 3fxl h GLU 228 N 8.20 0.73 -0.08 5.44 4.57 -1.96 0.03 114.58 131.51 3fxl h GLU 228 Ca -0.16 -0.08 -0.14 0.00 -1.18 0.00 0.00 59.36 57.81 3fxl h GLU 228 Cb 1.07 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.52 3fxl h GLU 228 CO 0.40 0.56 -0.48 0.93 -1.18 0.00 0.00 179.01 179.24 3fxl h GLU 229 N 0.74 0.47 0.00 1.92 5.08 -2.01 -3.41 114.58 117.37 3fxl h GLU 229 Ca 0.19 -0.39 -0.32 0.00 -1.00 0.00 0.00 59.36 57.83 3fxl h GLU 229 Cb 0.05 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 3fxl h GLU 229 CO -0.03 1.03 -2.32 -0.25 -1.00 0.00 0.00 179.01 176.44 3fxl n ASP 230 N -4.27 0.09 -4.69 1.42 8.00 -1.12 -4.84 116.55 111.14 3fxl n ASP 230 Ca -0.08 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.00 3fxl n ASP 230 Cb 0.59 1.11 -0.03 0.00 -0.02 0.00 0.00 41.12 42.77 3fxl n ASP 230 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3fxl s ASP 231 N -5.33 6.54 -0.09 -2.24 1.01 -0.02 -1.71 116.67 114.84 3fxl s ASP 231 Ca -0.10 2.58 -0.10 0.00 0.71 0.00 0.00 52.55 55.65 3fxl s ASP 231 Cb 0.07 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 3fxl s ASP 231 CO 0.82 -0.94 -0.20 0.00 0.21 0.00 0.00 175.17 175.07 3fxl n GLN 232 N 5.80 0.31 -3.50 8.23 6.02 -0.58 -3.99 117.38 129.66 3fxl n GLN 232 Ca 0.17 0.13 -0.10 0.00 -0.01 0.00 0.00 57.00 57.19 3fxl n GLN 232 Cb 0.40 -1.04 -0.03 0.00 1.02 0.00 0.00 30.24 30.60 3fxl n GLN 232 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3fxl s PHE 233 N -2.45 -0.39 -0.06 1.08 -0.12 -1.07 -1.35 117.98 113.63 3fxl s PHE 233 Ca -0.18 0.32 0.05 0.00 -0.05 0.00 0.00 56.93 57.06 3fxl s PHE 233 Cb 0.04 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 42.94 3fxl s PHE 233 CO 0.25 -0.56 -0.21 0.42 -0.05 0.00 0.00 175.22 175.08 3fxl s ILE 234 N -2.88 2.47 -0.14 -4.49 1.01 0.18 0.03 121.20 117.39 3fxl s ILE 234 Ca 0.03 -0.92 -0.00 0.00 0.00 0.00 0.00 60.65 59.75 3fxl s ILE 234 Cb -0.01 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 3fxl s ILE 234 CO -0.07 0.57 -0.13 -0.63 0.00 0.00 0.00 174.94 174.68 3fxl s ILE 235 N -0.34 3.04 -0.07 2.92 1.01 -0.57 -1.54 121.20 125.66 3fxl s ILE 235 Ca 0.02 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.06 3fxl s ILE 235 Cb -0.12 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 3fxl s ILE 235 CO 0.02 0.52 -0.21 -0.76 0.00 0.00 0.00 174.94 174.51 3fxl s LEU 236 N 0.43 2.30 0.01 2.97 1.43 -0.76 -0.78 118.68 124.29 3fxl s LEU 236 Ca -0.10 -0.42 -0.27 0.00 -1.03 0.00 0.00 54.13 52.32 3fxl s LEU 236 Cb -0.16 -1.45 0.06 0.00 0.03 0.00 0.00 46.19 44.68 3fxl s LEU 236 CO 0.05 0.25 0.60 0.00 0.23 0.00 0.00 176.35 177.48 3fxl s ALA 237 N -0.19 -1.57 0.94 4.21 0.00 -0.83 -0.62 121.76 123.71 3fxl s ALA 237 Ca -0.02 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 52.76 3fxl s ALA 237 Cb -0.14 0.24 0.16 0.00 0.00 0.00 0.00 23.12 23.39 3fxl s ALA 237 CO 0.03 -0.46 1.12 0.00 0.00 0.00 0.00 175.76 176.45 3fxl h ASP 239 N -1.65 0.00 -0.09 0.00 2.03 -1.91 -2.25 116.42 112.56 3fxl h ASP 239 Ca -0.52 0.00 0.03 0.00 -0.73 0.00 0.00 57.03 55.80 3fxl h ASP 239 Cb 1.33 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.83 3fxl h ASP 239 CO 0.60 0.00 0.09 1.23 -1.03 0.00 0.00 179.24 180.13 3fxl h GLY 240 N 0.19 0.00 0.00 7.15 0.00 -1.93 0.28 103.07 108.76 3fxl h GLY 240 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3fxl h GLY 240 CO 0.00 0.00 -0.51 -2.22 0.00 0.00 0.00 176.54 173.81 3fxl h ILE 241 N 0.00 0.58 0.00 2.60 1.08 -1.67 -3.40 117.51 116.70 3fxl h ILE 241 Ca 0.04 -1.57 -0.01 0.00 -0.39 0.00 0.00 64.86 62.93 3fxl h ILE 241 Cb 0.23 1.24 -0.00 0.00 -3.07 0.00 0.00 36.82 35.21 3fxl h ILE 241 CO -0.00 0.20 -0.03 -0.50 -0.69 0.00 0.00 178.15 177.12 3fxl h TRP 242 N -1.00 0.00 0.00 1.37 4.06 -1.55 -2.51 115.95 116.33 3fxl h TRP 242 Ca -0.10 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.84 3fxl h TRP 242 Cb 0.70 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.86 3fxl h TRP 242 CO 0.01 0.03 -0.08 -0.44 -3.56 0.00 0.00 178.44 174.41 3fxl h ASP 243 N 0.00 0.00 0.00 -3.49 3.32 -1.15 -3.26 116.42 111.83 3fxl h ASP 243 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fxl h ASP 243 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3fxl h ASP 243 CO 0.00 0.08 -0.63 1.33 -1.72 0.00 0.00 179.24 178.31 3fxl n VAL 244 N -4.05 0.00 -4.60 -1.35 0.24 -0.99 -5.01 118.33 102.56 3fxl n VAL 244 Ca -0.03 -0.25 -0.23 0.00 -2.04 0.00 0.00 64.34 61.79 3fxl n VAL 244 Cb 0.16 0.72 -0.16 0.00 -1.47 0.00 0.00 33.84 33.10 3fxl n VAL 244 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3fxl s MET 245 N -1.72 1.41 0.74 7.34 -1.94 -0.98 -5.06 119.30 119.09 3fxl s MET 245 Ca 0.00 -0.45 -0.08 0.00 -1.71 0.00 0.00 55.69 53.46 3fxl s MET 245 Cb 0.02 -1.25 0.08 0.00 2.01 0.00 0.00 34.83 35.69 3fxl s MET 245 CO 0.12 0.15 1.06 0.20 -0.01 0.00 0.00 175.02 176.54 3fxl s GLY 246 N 0.20 1.68 0.13 -0.03 0.00 -1.26 -4.30 107.32 103.74 3fxl s GLY 246 Ca -0.05 -0.94 -0.27 0.00 0.00 0.00 0.00 44.72 43.46 3fxl s GLY 246 CO 0.02 -0.49 1.61 3.43 0.00 0.00 0.00 173.10 177.66 3fxl h ASN 247 N -0.74 -1.05 -0.08 1.64 2.35 -1.99 -1.74 115.58 113.96 3fxl h ASN 247 Ca -0.44 0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.45 3fxl h ASN 247 Cb 1.31 0.43 -0.00 0.00 0.05 0.00 0.00 38.32 40.11 3fxl h ASN 247 CO 0.59 -0.39 0.04 -0.33 -1.65 0.00 0.00 177.43 175.68 3fxl h GLU 248 N -0.46 0.12 -0.36 0.81 3.07 -1.99 -1.67 114.58 114.09 3fxl h GLU 248 Ca 0.07 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.99 3fxl h GLU 248 Cb 0.58 -0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.38 3fxl h GLU 248 CO -0.32 0.21 -0.33 0.93 -1.40 0.00 0.00 179.01 178.10 3fxl h GLU 249 N -0.01 -0.27 -0.32 2.33 5.08 -1.95 0.19 114.58 119.64 3fxl h GLU 249 Ca 0.03 0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3fxl h GLU 249 Cb 0.14 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3fxl h GLU 249 CO -0.00 -0.18 -0.39 1.25 -1.00 0.00 0.00 179.01 178.69 3fxl h LEU 250 N -0.28 0.89 -0.42 1.33 5.85 -1.23 0.52 115.31 121.98 3fxl h LEU 250 Ca 0.16 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3fxl h LEU 250 Cb 0.54 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3fxl h LEU 250 CO -0.52 1.21 0.26 0.00 -0.34 0.00 0.00 178.44 179.06 3fxl h ASP 252 N 0.56 0.61 0.00 0.00 3.32 -0.38 -2.31 116.42 118.21 3fxl h ASP 252 Ca 0.15 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3fxl h ASP 252 Cb -0.03 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3fxl h ASP 252 CO -0.03 0.53 -0.07 0.15 -1.72 0.00 0.00 179.24 178.10 3fxl h PHE 253 N 0.63 -0.19 0.10 4.55 3.57 0.36 -2.25 116.94 123.72 3fxl h PHE 253 Ca 0.17 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3fxl h PHE 253 Cb 0.07 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3fxl h PHE 253 CO -0.02 -0.12 -0.09 0.28 -2.23 0.00 0.00 178.31 176.14 3fxl h VAL 254 N -0.13 0.80 -0.97 1.41 2.07 -0.17 -1.95 116.25 117.31 3fxl h VAL 254 Ca 0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 3fxl h VAL 254 Cb 0.17 0.80 -0.13 0.00 -1.52 0.00 0.00 31.29 30.60 3fxl h VAL 254 CO -0.08 0.00 -0.50 -1.14 0.02 0.00 0.00 177.57 175.88 3fxl n ARG 255 N -5.20 -0.35 -0.22 1.57 0.63 -0.88 -0.65 116.66 111.56 3fxl n ARG 255 Ca -0.07 1.48 0.12 0.00 -0.92 0.00 0.00 57.85 58.45 3fxl n ARG 255 Cb 0.13 -2.18 0.41 0.00 0.45 0.00 0.00 32.46 31.28 3fxl n ARG 255 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3fxl h SER 256 N 0.00 0.57 0.00 6.15 4.64 -0.95 -2.03 113.55 121.93 3fxl h SER 256 Ca 0.22 0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.36 3fxl h SER 256 Cb 0.47 -0.09 0.02 0.00 -0.31 0.00 0.00 62.40 62.49 3fxl h SER 256 CO -0.93 0.31 -0.84 0.03 -0.87 0.00 0.00 176.83 174.53 3fxl h ARG 257 N 0.61 0.57 0.00 4.77 2.47 -0.24 -3.24 114.38 119.31 3fxl h ARG 257 Ca 0.40 -0.61 -0.02 0.00 -1.26 0.00 0.00 59.98 58.49 3fxl h ARG 257 Cb 0.68 0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.17 3fxl h ARG 257 CO -0.16 1.22 -0.08 -0.07 0.56 0.00 0.00 179.97 181.45 3fxl h LEU 258 N 0.16 0.00 0.00 3.04 3.38 -0.41 -1.02 115.31 120.46 3fxl h LEU 258 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3fxl h LEU 258 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 3fxl h LEU 258 CO 0.16 0.08 0.00 -0.62 0.09 0.00 0.00 178.44 178.15 3fxl n GLU 259 N -4.12 0.57 -0.00 1.13 1.02 -0.81 -3.49 120.64 114.94 3fxl n GLU 259 Ca -0.03 0.03 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3fxl n GLU 259 Cb 0.16 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3fxl n GLU 259 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3fxl n VAL 260 N -1.11 0.04 -4.03 2.62 0.31 -0.49 -1.51 118.33 114.16 3fxl n VAL 260 Ca 0.15 -0.02 -0.08 0.00 -0.01 0.00 0.00 64.34 64.37 3fxl n VAL 260 Cb 0.12 -0.87 -0.11 0.00 -0.91 0.00 0.00 33.84 32.07 3fxl n VAL 260 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3fxl s THR 261 N -2.01 0.16 -1.16 2.52 2.01 -0.58 -4.89 115.64 111.68 3fxl s THR 261 Ca -0.00 -1.30 0.14 0.00 0.31 0.00 0.00 61.69 60.83 3fxl s THR 261 Cb 0.00 -0.80 0.39 0.00 0.01 0.00 0.00 72.50 72.10 3fxl s THR 261 CO 0.02 -0.71 1.32 -0.90 -0.69 0.00 0.00 174.62 173.66 3fxl n ASP 262 N 0.96 3.19 -4.52 3.53 5.68 -1.26 -4.18 116.55 119.95 3fxl n ASP 262 Ca -0.20 -2.01 -0.42 0.00 -0.50 0.00 0.00 54.79 51.66 3fxl n ASP 262 Cb 0.58 -0.30 -0.03 0.00 -1.14 0.00 0.00 41.12 40.23 3fxl n ASP 262 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3fxl s ASP 263 N -1.01 6.24 0.21 -1.12 -1.08 -1.26 -4.89 116.67 113.76 3fxl s ASP 263 Ca 0.30 -0.50 0.09 0.00 -0.52 0.00 0.00 52.55 51.92 3fxl s ASP 263 Cb 0.15 -2.50 0.11 0.00 -1.46 0.00 0.00 42.92 39.23 3fxl s ASP 263 CO 0.20 -1.55 1.47 -0.07 0.52 0.00 0.00 175.17 175.73 3fxl h LEU 264 N 11.99 0.01 -0.80 -1.34 3.38 -1.91 -2.51 115.31 124.13 3fxl h LEU 264 Ca -0.27 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 3fxl h LEU 264 Cb 1.06 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3fxl h LEU 264 CO 1.20 0.79 0.25 -0.33 0.09 0.00 0.00 178.44 180.45 3fxl h GLU 265 N 0.00 1.15 -0.60 1.13 5.08 -1.85 -2.39 114.58 117.10 3fxl h GLU 265 Ca -0.01 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 3fxl h GLU 265 Cb 1.39 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 3fxl h GLU 265 CO 0.10 0.96 0.12 -0.22 -1.00 0.00 0.00 179.01 178.97 3fxl h LYS 266 N 1.11 0.98 -0.82 2.33 3.64 -1.87 -0.09 116.57 121.83 3fxl h LYS 266 Ca 0.24 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3fxl h LYS 266 Cb 0.28 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 3fxl h LYS 266 CO -0.01 0.91 0.49 0.28 -2.27 0.00 0.00 179.45 178.85 3fxl h VAL 267 N 0.88 1.23 -0.29 2.00 2.07 -1.29 -0.87 116.25 119.97 3fxl h VAL 267 Ca 0.19 -0.51 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 3fxl h VAL 267 Cb 0.39 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3fxl h VAL 267 CO 0.01 0.24 -0.41 0.00 0.02 0.00 0.00 177.57 177.43 3fxl h ASN 269 N 0.58 0.93 -0.53 0.00 2.35 -0.81 -2.30 115.58 115.80 3fxl h ASN 269 Ca 0.05 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 3fxl h ASN 269 Cb 0.95 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 3fxl h ASN 269 CO 0.09 0.68 -0.07 -0.33 -1.65 0.00 0.00 177.43 176.14 3fxl h GLU 270 N 1.09 0.98 0.02 0.81 5.08 -0.70 -1.01 114.58 120.85 3fxl h GLU 270 Ca 0.29 -0.35 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3fxl h GLU 270 Cb -0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3fxl h GLU 270 CO -0.06 1.02 -0.11 0.28 -1.00 0.00 0.00 179.01 179.13 3fxl h VAL 271 N 0.85 0.72 -0.34 3.13 2.07 -1.19 -0.25 116.25 121.24 3fxl h VAL 271 Ca 0.14 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 3fxl h VAL 271 Cb 0.63 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3fxl h VAL 271 CO 0.04 0.00 0.15 0.58 0.02 0.00 0.00 177.57 178.36 3fxl h VAL 272 N -0.20 1.17 -0.31 2.57 2.07 -1.25 -1.09 116.25 119.20 3fxl h VAL 272 Ca 0.04 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 3fxl h VAL 272 Cb 0.25 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3fxl h VAL 272 CO -0.10 0.18 0.06 0.44 0.02 0.00 0.00 177.57 178.17 3fxl h ASP 273 N 0.41 0.49 -0.90 0.57 3.32 -1.19 -0.45 116.42 118.67 3fxl h ASP 273 Ca 0.12 -0.25 0.12 0.00 0.02 0.00 0.00 57.03 57.03 3fxl h ASP 273 Cb 0.15 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.48 3fxl h ASP 273 CO -0.01 0.62 0.53 0.74 -1.72 0.00 0.00 179.24 179.40 3fxl h THR 274 N 0.34 0.88 -0.19 0.35 2.02 -0.85 -0.63 112.91 114.83 3fxl h THR 274 Ca 0.10 -0.29 -0.16 0.00 0.77 0.00 0.00 66.41 66.83 3fxl h THR 274 Cb 0.33 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3fxl h THR 274 CO 0.00 0.15 -0.52 0.00 0.37 0.00 0.00 175.52 175.52 3fxl h LEU 276 N 0.43 0.39 -1.01 0.00 7.12 -0.63 -1.14 115.31 120.46 3fxl h LEU 276 Ca 0.01 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.92 3fxl h LEU 276 Cb 1.06 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 41.09 3fxl h LEU 276 CO 0.10 0.38 0.00 1.88 -0.13 0.00 0.00 178.44 180.67 3fxl h TYR 277 N 0.37 0.00 -0.00 1.25 0.05 -0.94 -2.01 116.97 115.68 3fxl h TYR 277 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3fxl h TYR 277 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 3fxl h TYR 277 CO -0.03 0.00 -0.02 1.63 -1.05 0.00 0.00 178.16 178.70 3fxl n LYS 278 N -2.81 1.04 0.00 4.88 5.02 0.14 -4.88 118.16 121.55 3fxl n LYS 278 Ca 0.02 -0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 3fxl n LYS 278 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3fxl n LYS 278 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fxl n GLY 279 N 1.10 1.14 3.70 0.72 0.00 -0.76 -5.00 105.19 106.10 3fxl n GLY 279 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3fxl n GLY 279 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fxl s SER 280 N -1.77 6.93 -0.11 1.61 0.15 -0.45 -4.90 113.70 115.15 3fxl s SER 280 Ca 0.00 2.09 0.14 0.00 0.70 0.00 0.00 55.95 58.88 3fxl s SER 280 Cb 0.00 -2.57 0.35 0.00 -1.71 0.00 0.00 66.02 62.09 3fxl s SER 280 CO 0.00 -0.62 1.25 0.54 1.20 0.00 0.00 173.24 175.61 3fxl n ARG 281 N 4.70 2.39 -3.76 5.44 1.74 -1.26 -4.57 116.66 121.34 3fxl n ARG 281 Ca 0.11 -2.46 -0.21 0.00 -0.77 0.00 0.00 57.85 54.52 3fxl n ARG 281 Cb 0.44 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 3fxl n ARG 281 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fxl s ASP 282 N -1.98 5.36 0.39 0.55 2.15 -1.26 -4.03 116.67 117.83 3fxl s ASP 282 Ca 0.30 -0.47 -0.26 0.00 0.43 0.00 0.00 52.55 52.56 3fxl s ASP 282 Cb 0.24 -0.98 -0.11 0.00 -0.30 0.00 0.00 42.92 41.77 3fxl s ASP 282 CO 0.07 -0.38 1.13 0.59 -0.17 0.00 0.00 175.17 176.41 3fxl n ASN 283 N -1.41 1.87 -3.95 -0.34 5.03 -1.24 -4.55 115.26 110.67 3fxl n ASN 283 Ca -0.01 1.11 -0.23 0.00 0.87 0.00 0.00 54.58 56.31 3fxl n ASN 283 Cb 0.60 -1.41 -0.17 0.00 -1.02 0.00 0.00 39.78 37.79 3fxl n ASN 283 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3fxl s MET 284 N -1.97 1.32 -0.05 3.52 -1.94 -0.30 -4.09 119.30 115.78 3fxl s MET 284 Ca 0.60 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 54.33 3fxl s MET 284 Cb -0.57 -1.21 0.02 0.00 2.01 0.00 0.00 34.83 35.09 3fxl s MET 284 CO 0.59 -0.07 -0.03 -1.12 -0.01 0.00 0.00 175.02 174.38 3fxl s SER 285 N 0.95 1.15 -0.03 3.03 0.01 -1.26 -0.45 113.70 117.10 3fxl s SER 285 Ca -0.10 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.09 3fxl s SER 285 Cb -0.15 -0.44 -0.00 0.00 0.21 0.00 0.00 66.02 65.64 3fxl s SER 285 CO 0.00 -0.11 -0.15 -0.69 0.41 0.00 0.00 173.24 172.70 3fxl s VAL 286 N 1.29 1.28 -0.07 3.43 1.01 0.17 -2.45 120.40 125.07 3fxl s VAL 286 Ca -0.05 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.32 3fxl s VAL 286 Cb -0.14 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3fxl s VAL 286 CO -0.02 0.37 -0.18 -0.63 0.00 0.00 0.00 175.10 174.64 3fxl s ILE 287 N -0.03 2.72 -0.23 2.22 1.01 0.21 -1.25 121.20 125.86 3fxl s ILE 287 Ca -0.01 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.83 3fxl s ILE 287 Cb -0.10 -2.06 0.05 0.00 0.01 0.00 0.00 42.46 40.37 3fxl s ILE 287 CO 0.01 0.57 -0.11 -0.22 0.00 0.00 0.00 174.94 175.20 3fxl s LEU 288 N -0.35 2.84 -0.25 2.97 0.20 0.13 -1.82 118.68 122.39 3fxl s LEU 288 Ca 0.03 -1.15 -0.06 0.00 0.69 0.00 0.00 54.13 53.64 3fxl s LEU 288 Cb -0.12 -1.39 -0.02 0.00 -0.43 0.00 0.00 46.19 44.23 3fxl s LEU 288 CO 0.02 -0.17 0.05 -0.63 -0.29 0.00 0.00 176.35 175.33 3fxl s ILE 289 N 1.26 4.05 -0.10 6.68 1.09 -0.59 -1.77 121.20 131.81 3fxl s ILE 289 Ca -0.05 -0.32 -0.04 0.00 -1.10 0.00 0.00 60.65 59.14 3fxl s ILE 289 Cb -0.18 -2.91 -0.04 0.00 -1.06 0.00 0.00 42.46 38.27 3fxl s ILE 289 CO -0.07 0.32 0.04 0.00 -0.10 0.00 0.00 174.94 175.13 3fxl s PHE 291 N -0.80 3.33 0.54 0.00 0.08 -0.45 -2.08 117.98 118.60 3fxl s PHE 291 Ca 0.12 -0.01 0.38 0.00 0.12 0.00 0.00 56.93 57.54 3fxl s PHE 291 Cb -0.12 -1.82 1.57 0.00 -0.57 0.00 0.00 43.02 42.09 3fxl s PHE 291 CO 0.03 0.18 1.78 -1.35 -0.10 0.00 0.00 175.22 175.75 3fxl h PRO 292 N 0.95 0.00 -0.60 0.24 0.11 -1.82 0.11 132.00 131.00 3fxl h PRO 292 Ca -0.49 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 3fxl h PRO 292 Cb 1.24 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 3fxl h PRO 292 CO 0.58 0.00 0.17 0.09 -0.21 0.00 0.00 178.00 178.63 3fxl n ASN 293 N -4.16 4.47 -4.49 -2.05 5.03 -1.26 -4.97 115.26 107.84 3fxl n ASN 293 Ca 0.28 -3.23 -0.35 0.00 0.87 0.00 0.00 54.58 52.15 3fxl n ASN 293 Cb 1.33 -0.69 0.10 0.00 -1.02 0.00 0.00 39.78 39.50 3fxl n ASN 293 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fxl n ALA 294 N -0.28 -1.57 -1.65 5.41 0.00 0.40 -4.61 120.51 118.21 3fxl n ALA 294 Ca 0.36 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 3fxl n ALA 294 Cb 1.25 -1.91 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 3fxl n ALA 294 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fxl n PRO 295 N -1.51 1.76 -3.96 0.00 -0.02 -1.26 -4.99 135.00 125.02 3fxl n PRO 295 Ca 0.10 0.62 -0.25 0.00 -2.02 0.00 0.00 63.50 61.95 3fxl n PRO 295 Cb 0.51 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3fxl n PRO 295 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3fxl s LYS 296 N -1.86 3.42 0.15 -0.52 -0.14 -1.26 -4.72 119.74 114.81 3fxl s LYS 296 Ca 0.58 -0.64 -0.31 0.00 -1.36 0.00 0.00 55.97 54.23 3fxl s LYS 296 Cb -0.59 -2.94 -0.10 0.00 -1.68 0.00 0.00 37.83 32.52 3fxl s LYS 296 CO 0.60 0.50 1.60 0.08 -0.76 0.00 0.00 175.35 177.37 3fxl s VAL 297 N -1.79 2.62 -0.14 3.17 1.01 -1.23 -4.18 120.40 119.86 3fxl s VAL 297 Ca 0.34 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 3fxl s VAL 297 Cb -0.11 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 3fxl s VAL 297 CO 0.28 0.03 -0.12 -0.55 0.00 0.00 0.00 175.10 174.74 3fxl s SER 298 N 1.37 4.07 0.25 3.32 0.15 -0.57 -4.99 113.70 117.30 3fxl s SER 298 Ca 0.71 -0.32 -0.04 0.00 0.70 0.00 0.00 55.95 57.01 3fxl s SER 298 Cb -0.44 -1.63 0.46 0.00 -1.71 0.00 0.00 66.02 62.70 3fxl s SER 298 CO 0.32 0.16 1.74 -0.65 1.20 0.00 0.00 173.24 176.00 3fxl h PRO 299 N 6.78 0.46 -0.11 5.44 0.11 -1.95 -1.95 132.00 140.78 3fxl h PRO 299 Ca -0.27 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 3fxl h PRO 299 Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3fxl h PRO 299 CO 0.56 0.31 0.05 1.49 -0.21 0.00 0.00 178.00 180.20 3fxl h GLU 300 N 0.48 0.16 -0.55 1.05 4.81 -1.95 -2.48 114.58 116.10 3fxl h GLU 300 Ca 0.42 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.72 3fxl h GLU 300 Cb 0.61 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.89 3fxl h GLU 300 CO -0.39 0.24 0.12 0.00 -0.73 0.00 0.00 179.01 178.26 3fxl h ALA 301 N 0.91 0.64 -0.77 2.92 0.00 -1.73 0.22 119.26 121.45 3fxl h ALA 301 Ca 0.04 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3fxl h ALA 301 Cb 0.14 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3fxl h ALA 301 CO -0.00 -0.29 0.50 0.28 0.00 0.00 0.00 179.25 179.73 3fxl h VAL 302 N 0.26 1.13 -0.04 0.00 2.07 -1.29 -1.65 116.25 116.73 3fxl h VAL 302 Ca 0.28 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3fxl h VAL 302 Cb 0.39 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3fxl h VAL 302 CO -0.35 0.18 0.00 0.11 0.02 0.00 0.00 177.57 177.53 3fxl h LYS 303 N 0.97 0.07 -0.90 1.57 1.57 -0.88 -1.98 116.57 117.01 3fxl h LYS 303 Ca 0.31 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.18 3fxl h LYS 303 Cb -0.01 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.21 3fxl h LYS 303 CO -0.10 0.34 0.52 0.87 -0.57 0.00 0.00 179.45 180.52 3fxl h LYS 304 N -0.21 0.80 -0.39 3.15 1.57 -0.44 0.24 116.57 121.30 3fxl h LYS 304 Ca 0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3fxl h LYS 304 Cb 0.31 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3fxl h LYS 304 CO 0.00 0.53 -0.01 1.49 -0.57 0.00 0.00 179.45 180.89 3fxl h GLU 305 N 0.83 0.70 -0.69 3.15 4.57 -1.24 -0.12 114.58 121.77 3fxl h GLU 305 Ca 0.45 -0.23 -0.06 0.00 -1.18 0.00 0.00 59.36 58.35 3fxl h GLU 305 Cb 0.48 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 3fxl h GLU 305 CO -0.28 0.80 0.22 0.00 -1.18 0.00 0.00 179.01 178.56 3fxl h ALA 306 N 0.88 0.91 -0.73 2.92 0.00 -0.56 -0.06 119.26 122.63 3fxl h ALA 306 Ca 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3fxl h ALA 306 Cb 0.49 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3fxl h ALA 306 CO 0.02 0.59 0.47 0.93 0.00 0.00 0.00 179.25 181.26 3fxl h GLU 307 N 1.02 0.91 -0.31 0.00 5.08 -0.42 -1.30 114.58 119.55 3fxl h GLU 307 Ca 0.22 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 3fxl h GLU 307 Cb 0.30 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3fxl h GLU 307 CO -0.01 0.60 -0.10 1.25 -1.00 0.00 0.00 179.01 179.75 3fxl h LEU 308 N 0.93 0.62 -0.18 1.33 5.85 -0.69 -1.77 115.31 121.41 3fxl h LEU 308 Ca 0.28 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.66 3fxl h LEU 308 Cb -0.04 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3fxl h LEU 308 CO -0.09 0.86 -0.12 0.44 -0.34 0.00 0.00 178.44 179.20 3fxl h ASP 309 N 0.38 -0.37 -0.86 1.25 5.19 -0.86 -0.95 116.42 120.20 3fxl h ASP 309 Ca 0.07 0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.58 3fxl h ASP 309 Cb 0.60 0.20 -0.04 0.00 0.18 0.00 0.00 39.33 40.27 3fxl h ASP 309 CO 0.04 -0.15 0.57 0.50 -3.12 0.00 0.00 179.24 177.07 3fxl h LYS 310 N -0.11 1.12 -0.46 3.56 1.63 -1.18 -1.38 116.57 119.74 3fxl h LYS 310 Ca 0.11 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3fxl h LYS 310 Cb 0.27 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 3fxl h LYS 310 CO -0.25 0.74 0.26 -0.92 -3.45 0.00 0.00 179.45 175.83 3fxl h TYR 311 N 1.15 0.63 -0.14 1.91 5.03 -0.96 -1.33 116.97 123.27 3fxl h TYR 311 Ca 0.32 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.51 3fxl h TYR 311 Cb -0.11 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 37.95 3fxl h TYR 311 CO -0.01 0.47 -0.37 -0.07 -1.32 0.00 0.00 178.16 176.85 3fxl h LEU 312 N 0.61 0.31 -0.34 2.82 3.38 -0.85 -1.28 115.31 119.96 3fxl h LEU 312 Ca 0.16 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3fxl h LEU 312 Cb 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3fxl h LEU 312 CO -0.03 0.66 0.10 -0.33 0.09 0.00 0.00 178.44 178.93 3fxl h GLU 313 N 0.25 0.53 -0.42 1.13 5.08 -0.91 -1.41 114.58 118.84 3fxl h GLU 313 Ca 0.03 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3fxl h GLU 313 Cb 0.78 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3fxl h GLU 313 CO 0.06 0.57 0.01 0.00 -1.00 0.00 0.00 179.01 178.65 3fxl h ARG 315 N 0.63 0.83 -0.36 0.00 2.47 -1.10 -2.04 114.38 114.81 3fxl h ARG 315 Ca 0.13 -0.25 -0.02 0.00 -1.26 0.00 0.00 59.98 58.58 3fxl h ARG 315 Cb 0.39 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 3fxl h ARG 315 CO 0.01 0.86 0.14 0.28 0.56 0.00 0.00 179.97 181.82 3fxl h VAL 316 N 0.70 1.19 -0.48 2.04 2.07 -1.11 -1.20 116.25 119.45 3fxl h VAL 316 Ca 0.14 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.15 3fxl h VAL 316 Cb 0.45 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3fxl h VAL 316 CO 0.02 0.21 0.13 -0.08 0.02 0.00 0.00 177.57 177.87 3fxl h GLU 317 N 0.43 0.28 -0.20 1.57 4.81 -1.34 -2.49 114.58 117.64 3fxl h GLU 317 Ca 0.12 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3fxl h GLU 317 Cb 0.19 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3fxl h GLU 317 CO -0.01 0.18 -0.47 0.93 -0.73 0.00 0.00 179.01 178.91 3fxl h GLU 318 N 0.29 0.52 -0.59 1.92 4.39 -1.15 -3.18 114.58 116.78 3fxl h GLU 318 Ca 0.24 -0.29 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 3fxl h GLU 318 Cb 0.28 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 3fxl h GLU 318 CO -0.28 0.88 0.02 0.82 -1.16 0.00 0.00 179.01 179.29 3fxl h ILE 319 N 0.41 1.26 0.00 3.13 2.04 -1.08 -1.52 117.51 121.76 3fxl h ILE 319 Ca 0.02 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.77 3fxl h ILE 319 Cb 0.98 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3fxl h ILE 319 CO 0.09 0.40 0.00 -0.38 0.00 0.00 0.00 178.15 178.26 3fxl n ILE 320 N -4.23 0.39 0.00 -0.67 5.41 -0.95 -4.91 119.36 114.40 3fxl n ILE 320 Ca 0.03 0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.87 3fxl n ILE 320 Cb 0.33 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 3fxl n ILE 320 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3fxl n LYS 321 N -1.14 0.00 0.00 0.38 4.76 -0.58 -4.92 118.16 116.66 3fxl n LYS 321 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 3fxl n LYS 321 Cb 0.05 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.24 3fxl n LYS 321 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fxl n GLY 326 N 0.00 0.00 3.44 0.72 0.00 -1.26 -4.64 105.19 103.46 3fxl n GLY 326 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3fxl n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fxl s VAL 327 N 0.00 4.53 0.25 1.61 1.01 -1.26 -5.08 120.40 121.46 3fxl s VAL 327 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 3fxl s VAL 327 Cb 0.00 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 3fxl s VAL 327 CO 0.00 0.15 1.49 -2.16 0.00 0.00 0.00 175.10 174.58 3fxl s PRO 328 N 1.62 4.23 0.88 2.72 0.04 -1.26 -5.01 135.00 138.21 3fxl s PRO 328 Ca 0.05 2.37 -0.12 0.00 0.04 0.00 0.00 61.00 63.34 3fxl s PRO 328 Cb -0.16 -3.09 0.12 0.00 0.04 0.00 0.00 34.50 31.40 3fxl s PRO 328 CO 0.06 -0.48 1.12 0.16 0.04 0.00 0.00 177.00 177.90 3fxl s ASP 329 N 0.45 3.81 0.27 6.66 -4.77 -1.26 -4.79 116.67 117.03 3fxl s ASP 329 Ca 0.61 1.08 -0.02 0.00 -3.30 0.00 0.00 52.55 50.92 3fxl s ASP 329 Cb -0.43 -1.71 0.41 0.00 -1.09 0.00 0.00 42.92 40.10 3fxl s ASP 329 CO 0.43 -2.38 1.88 0.25 0.70 0.00 0.00 175.17 176.06 3fxl h LEU 330 N -1.37 1.04 -0.90 2.11 5.85 -1.99 -0.58 115.31 119.46 3fxl h LEU 330 Ca -0.49 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.33 3fxl h LEU 330 Cb 1.31 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.05 3fxl h LEU 330 CO 0.61 0.66 0.55 0.58 -0.34 0.00 0.00 178.44 180.50 3fxl h VAL 331 N 1.18 0.94 0.00 1.05 2.07 -1.99 0.57 116.25 120.07 3fxl h VAL 331 Ca 0.43 -0.31 -0.14 0.00 0.82 0.00 0.00 66.70 67.49 3fxl h VAL 331 Cb 0.17 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 3fxl h VAL 331 CO -0.17 0.17 -0.69 0.45 0.02 0.00 0.00 177.57 177.35 3fxl h HIS 332 N 0.92 0.00 -0.20 1.57 3.86 -1.52 -2.07 115.15 117.71 3fxl h HIS 332 Ca 0.43 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.53 3fxl h HIS 332 Cb 0.36 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 3fxl h HIS 332 CO -0.03 0.69 -0.32 0.28 0.86 0.00 0.00 177.93 179.40 3fxl h VAL 333 N 0.00 1.33 -0.63 2.45 2.07 -0.52 -2.02 116.25 118.92 3fxl h VAL 333 Ca -0.01 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 65.99 3fxl h VAL 333 Cb 1.33 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 3fxl h VAL 333 CO 0.09 0.47 0.40 0.24 0.02 0.00 0.00 177.57 178.79 3fxl h MET 334 N 0.24 0.77 -0.37 1.57 2.86 -0.89 -0.92 114.93 118.20 3fxl h MET 334 Ca 0.02 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3fxl h MET 334 Cb 0.91 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 3fxl h MET 334 CO 0.07 0.51 0.17 -0.09 1.06 0.00 0.00 176.91 178.63 3fxl h ARG 335 N 0.79 0.34 -0.55 1.72 2.43 -1.37 -1.06 114.38 116.68 3fxl h ARG 335 Ca 0.25 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3fxl h ARG 335 Cb -0.02 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3fxl h ARG 335 CO -0.09 0.22 0.11 1.15 -1.51 0.00 0.00 179.97 179.86 3fxl h THR 336 N 0.35 1.25 -0.63 0.20 2.02 -0.99 -2.46 112.91 112.64 3fxl h THR 336 Ca 0.16 -0.92 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 3fxl h THR 336 Cb 0.09 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3fxl h THR 336 CO -0.13 0.34 0.24 -0.07 0.37 0.00 0.00 175.52 176.27 3fxl h LEU 337 N 0.79 0.87 -0.79 2.58 3.38 -0.98 -2.61 115.31 118.55 3fxl h LEU 337 Ca 0.17 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3fxl h LEU 337 Cb 0.38 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3fxl h LEU 337 CO 0.01 0.82 0.52 0.00 0.09 0.00 0.00 178.44 179.87 3fxl h ALA 338 N 1.09 1.02 0.00 1.53 0.00 -1.09 -2.48 119.26 119.34 3fxl h ALA 338 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fxl h ALA 338 Cb 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fxl h ALA 338 CO -0.01 0.37 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 3fxl n SER 339 N -4.56 0.69 0.19 0.00 3.41 -0.94 -2.01 113.62 110.40 3fxl n SER 339 Ca 0.09 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.49 3fxl n SER 339 Cb 0.05 -0.81 0.43 0.00 -0.26 0.00 0.00 64.21 63.63 3fxl n SER 339 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3fxl h GLU 340 N 0.00 0.00 -6.27 4.33 5.08 -1.08 -3.48 114.58 113.16 3fxl h GLU 340 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 3fxl h GLU 340 Cb 0.42 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.74 3fxl h GLU 340 CO 0.00 0.00 -0.91 0.09 -1.00 0.00 0.00 179.01 177.19 3fxl n ASN 341 N -2.75 -5.36 -4.72 1.42 3.02 -0.85 -4.91 115.26 101.11 3fxl n ASN 341 Ca 0.03 -0.99 -0.42 0.00 -0.03 0.00 0.00 54.58 53.17 3fxl n ASN 341 Cb 0.39 -3.24 -0.03 0.00 -0.61 0.00 0.00 39.78 36.29 3fxl n ASN 341 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fxl s ILE 342 N -3.41 3.23 0.60 2.41 1.01 -1.26 -5.02 121.20 118.77 3fxl s ILE 342 Ca 0.43 0.91 -0.09 0.00 0.00 0.00 0.00 60.65 61.90 3fxl s ILE 342 Cb -0.16 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 3fxl s ILE 342 CO 0.87 0.09 0.97 -2.16 0.00 0.00 0.00 174.94 174.70 3fxl s PRO 343 N 0.80 3.28 -1.13 2.79 0.04 -1.26 -4.39 135.00 135.13 3fxl s PRO 343 Ca 0.63 0.42 0.00 0.00 0.04 0.00 0.00 61.00 62.09 3fxl s PRO 343 Cb -0.37 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.00 3fxl s PRO 343 CO 0.32 -0.63 0.00 0.43 0.04 0.00 0.00 177.00 177.17 3fxl n SER 344 N -2.67 -4.10 -4.82 6.66 7.64 -1.26 -5.03 113.62 110.04 3fxl n SER 344 Ca 0.05 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.61 3fxl n SER 344 Cb 0.56 -3.26 -0.01 0.00 -1.01 0.00 0.00 64.21 60.49 3fxl n SER 344 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fxl s LEU 345 N -3.71 3.56 0.36 -3.43 1.43 -1.26 -4.97 118.68 110.66 3fxl s LEU 345 Ca 0.00 1.69 -0.26 0.00 -1.03 0.00 0.00 54.13 54.52 3fxl s LEU 345 Cb 0.00 -4.52 -0.12 0.00 0.03 0.00 0.00 46.19 41.58 3fxl s LEU 345 CO 0.00 -0.88 1.13 -2.65 0.23 0.00 0.00 176.35 174.19 3fxl n PRO 346 N -1.82 1.67 -2.16 1.29 -0.02 -1.26 -4.82 135.00 127.87 3fxl n PRO 346 Ca 0.08 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 3fxl n PRO 346 Cb 0.53 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3fxl n PRO 346 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3fxl s PRO 347 N -1.89 4.37 0.00 0.52 0.04 -1.26 -2.04 135.00 134.74 3fxl s PRO 347 Ca 0.59 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.77 3fxl s PRO 347 Cb -0.59 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 30.81 3fxl s PRO 347 CO 0.59 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.81 3fxl n GLY 348 N 1.79 0.90 0.21 0.56 0.00 -1.26 -2.89 105.19 104.50 3fxl n GLY 348 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3fxl n GLY 348 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fxl h GLY 349 N 0.00 0.59 0.00 -0.02 0.00 -1.82 -3.48 103.07 98.34 3fxl h GLY 349 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.63 3fxl h GLY 349 CO 0.00 0.62 0.00 1.18 0.00 0.00 0.00 176.54 178.34 3fxl n GLU 350 N -3.95 0.00 -0.03 4.80 -0.58 -0.86 -1.90 120.64 118.12 3fxl n GLU 350 Ca -0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.69 3fxl n GLU 350 Cb 0.61 0.00 0.25 0.00 -0.57 0.00 0.00 31.44 31.74 3fxl n GLU 350 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3fxl h LEU 351 N 0.00 0.56 -0.87 -4.62 3.38 -1.95 -3.01 115.31 108.81 3fxl h LEU 351 Ca 0.00 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 57.97 3fxl h LEU 351 Cb 0.00 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 3fxl h LEU 351 CO 0.00 0.64 0.49 0.00 0.09 0.00 0.00 178.44 179.66 3fxl h ALA 352 N 1.43 1.28 0.00 1.53 0.00 -1.89 -0.56 119.26 121.05 3fxl h ALA 352 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3fxl h ALA 352 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3fxl h ALA 352 CO 0.01 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 3fxl n SER 353 N -4.77 0.00 -0.02 0.00 3.41 -0.80 -2.54 113.62 108.90 3fxl n SER 353 Ca 0.16 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3fxl n SER 353 Cb 0.36 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3fxl n SER 353 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fxl n LYS 354 N -1.19 2.37 -0.15 4.33 4.76 -0.24 -4.77 118.16 123.27 3fxl n LYS 354 Ca 0.08 -1.36 -0.00 0.00 -2.87 0.00 0.00 58.31 54.15 3fxl n LYS 354 Cb 0.09 -1.01 0.25 0.00 -1.84 0.00 0.00 35.03 32.52 3fxl n LYS 354 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3fxl h ARG 355 N 0.07 0.85 -0.40 1.97 2.43 -1.22 -2.28 114.38 115.81 3fxl h ARG 355 Ca 0.00 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 58.99 3fxl h ARG 355 Cb 0.43 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3fxl h ARG 355 CO 0.00 0.65 -0.09 -0.91 -1.51 0.00 0.00 179.97 178.11 3fxl h ASN 356 N 0.86 0.67 -0.24 -3.80 2.35 -1.86 0.13 115.58 113.69 3fxl h ASN 356 Ca 0.21 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 3fxl h ASN 356 Cb 0.07 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 3fxl h ASN 356 CO -0.03 0.80 -0.18 0.58 -1.65 0.00 0.00 177.43 176.95 3fxl h VAL 357 N 0.63 1.31 -0.47 2.81 2.07 -1.85 -1.22 116.25 119.54 3fxl h VAL 357 Ca 0.11 -1.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.22 3fxl h VAL 357 Cb 0.53 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3fxl h VAL 357 CO 0.03 0.41 -0.10 0.40 0.02 0.00 0.00 177.57 178.33 3fxl h ILE 358 N 0.26 1.27 -0.03 4.57 2.04 -1.24 -2.85 117.51 121.52 3fxl h ILE 358 Ca 0.05 -1.22 -0.18 0.00 1.00 0.00 0.00 64.86 64.51 3fxl h ILE 358 Cb 0.71 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3fxl h ILE 358 CO 0.05 0.42 -0.76 -0.08 0.00 0.00 0.00 178.15 177.78 3fxl h GLU 359 N 0.74 0.25 -0.78 2.37 4.81 -0.78 -1.02 114.58 120.17 3fxl h GLU 359 Ca 0.12 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3fxl h GLU 359 Cb 0.64 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 3fxl h GLU 359 CO 0.04 0.89 0.45 0.00 -0.73 0.00 0.00 179.01 179.66 3fxl h ALA 360 N 1.04 0.99 -0.12 2.92 0.00 -1.20 -0.59 119.26 122.31 3fxl h ALA 360 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3fxl h ALA 360 Cb 1.34 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3fxl h ALA 360 CO 0.12 0.48 0.02 0.28 0.00 0.00 0.00 179.25 180.15 3fxl h VAL 361 N 1.07 1.21 -0.59 0.00 2.07 -1.41 -2.19 116.25 116.42 3fxl h VAL 361 Ca 0.28 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 67.20 3fxl h VAL 361 Cb -0.00 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 3fxl h VAL 361 CO -0.05 0.20 0.24 0.22 0.02 0.00 0.00 177.57 178.20 3fxl h TYR 362 N -0.03 0.43 -0.25 1.57 5.03 -1.06 -2.28 116.97 120.37 3fxl h TYR 362 Ca 0.04 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 3fxl h TYR 362 Cb 0.29 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 3fxl h TYR 362 CO 0.02 0.15 -0.02 -0.91 -1.32 0.00 0.00 178.16 176.07 3fxl h ASN 363 N 0.45 0.36 -0.53 -2.11 2.35 -0.99 0.15 115.58 115.25 3fxl h ASN 363 Ca 0.29 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.90 3fxl h ASN 363 Cb 0.31 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3fxl h ASN 363 CO -0.26 0.44 0.04 0.03 -1.65 0.00 0.00 177.43 176.03 3fxl h ARG 364 N 0.37 0.96 0.02 0.81 3.08 -0.83 -2.88 114.38 115.91 3fxl h ARG 364 Ca 0.08 -0.26 -0.28 0.00 0.07 0.00 0.00 59.98 59.59 3fxl h ARG 364 Cb 0.29 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3fxl h ARG 364 CO 0.01 0.92 -1.54 -0.07 -1.07 0.00 0.00 179.97 178.21 3fxl h LEU 365 N 0.89 0.06 -5.91 3.04 3.38 -1.16 -3.41 115.31 112.20 3fxl h LEU 365 Ca 0.17 -0.10 -0.57 0.00 0.09 0.00 0.00 57.88 57.48 3fxl h LEU 365 Cb 0.46 -0.02 -0.41 0.00 0.09 0.00 0.00 40.66 40.78 3fxl h LEU 365 CO 0.02 1.09 -0.85 -3.20 0.09 0.00 0.00 178.44 175.58 3fxl n ASN 366 N -3.18 2.40 0.00 -0.43 5.15 0.51 -4.98 115.26 114.74 3fxl n ASN 366 Ca -0.14 -3.21 0.08 0.00 -0.60 0.00 0.00 54.58 50.71 3fxl n ASN 366 Cb 1.02 -0.63 0.38 0.00 -0.53 0.00 0.00 39.78 40.03 3fxl n ASN 366 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3fxl n PRO 367 N 0.67 0.12 0.00 1.20 -0.04 -1.09 -4.66 135.00 131.19 3fxl n PRO 367 Ca 0.27 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.97 3fxl n PRO 367 Cb 0.48 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.50 3fxl n PRO 367 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12