#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fy1 s GLN 23 N 0.00 3.60 -0.26 -0.72 -1.52 -0.44 -4.97 119.66 115.36 3fy1 s GLN 23 Ca 0.00 -0.11 0.00 0.00 -1.95 0.00 0.00 55.36 53.30 3fy1 s GLN 23 Cb 0.00 -2.89 0.07 0.00 -0.22 0.00 0.00 33.01 29.97 3fy1 s GLN 23 CO 0.00 0.50 -0.00 -1.17 -0.25 0.00 0.00 175.29 174.36 3fy1 s LEU 24 N -2.54 2.62 -0.18 2.90 2.96 -1.26 -1.34 118.68 121.85 3fy1 s LEU 24 Ca 0.39 -1.34 -0.05 0.00 -0.22 0.00 0.00 54.13 52.92 3fy1 s LEU 24 Cb -0.12 -1.11 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 3fy1 s LEU 24 CO 0.24 -0.29 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.07 3fy1 s THR 25 N 1.43 3.98 -0.10 3.68 2.01 0.32 -0.39 115.64 126.56 3fy1 s THR 25 Ca -0.01 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.70 3fy1 s THR 25 Cb -0.18 -2.77 0.01 0.00 0.01 0.00 0.00 72.50 69.56 3fy1 s THR 25 CO -0.10 0.46 -0.18 0.00 -0.69 0.00 0.00 174.62 174.11 3fy1 s TYR 27 N 0.71 3.60 -0.09 0.00 2.02 -0.44 -0.86 117.35 122.29 3fy1 s TYR 27 Ca -0.12 1.04 -0.03 0.00 -0.37 0.00 0.00 57.07 57.59 3fy1 s TYR 27 Cb -0.16 -2.57 -0.03 0.00 -0.40 0.00 0.00 41.96 38.79 3fy1 s TYR 27 CO 0.02 0.27 0.04 0.12 -1.57 0.00 0.00 175.55 174.43 3fy1 s PHE 28 N 0.21 3.28 -0.12 2.71 5.36 0.96 -1.01 117.98 129.38 3fy1 s PHE 28 Ca 0.29 0.28 -0.00 0.00 -0.96 0.00 0.00 56.93 56.54 3fy1 s PHE 28 Cb -0.17 -1.83 -0.02 0.00 -0.34 0.00 0.00 43.02 40.67 3fy1 s PHE 28 CO 0.14 0.54 -0.11 0.95 -1.46 0.00 0.00 175.22 175.28 3fy1 s THR 29 N -0.92 3.29 -2.00 0.12 -4.23 -1.26 0.05 115.64 110.69 3fy1 s THR 29 Ca 0.14 -0.59 0.17 0.00 -1.18 0.00 0.00 61.69 60.22 3fy1 s THR 29 Cb -0.11 -2.38 0.47 0.00 1.34 0.00 0.00 72.50 71.82 3fy1 s THR 29 CO 0.03 0.54 1.63 -0.46 -0.54 0.00 0.00 174.62 175.81 3fy1 n ASN 30 N 3.19 0.00 -0.35 3.99 6.94 0.48 -2.76 115.26 126.75 3fy1 n ASN 30 Ca -0.18 -1.45 0.09 0.00 -0.02 0.00 0.00 54.58 53.02 3fy1 n ASN 30 Cb 0.53 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.93 3fy1 n ASN 30 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 3fy1 n TRP 31 N -0.76 0.00 0.27 -2.53 2.14 -1.26 -4.40 117.44 110.89 3fy1 n TRP 31 Ca 0.13 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.83 3fy1 n TRP 31 Cb 0.06 0.00 0.78 0.00 -0.81 0.00 0.00 31.31 31.33 3fy1 n TRP 31 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3fy1 h ALA 32 N 2.96 1.32 -0.01 -1.67 0.00 -1.77 -2.55 119.26 117.54 3fy1 h ALA 32 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fy1 h ALA 32 Cb 0.57 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3fy1 h ALA 32 CO 0.00 0.11 0.06 -0.56 0.00 0.00 0.00 179.25 178.86 3fy1 h GLN 33 N 0.00 0.00 -0.01 0.00 3.07 -1.75 -2.75 115.11 113.67 3fy1 h GLN 33 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3fy1 h GLN 33 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 3fy1 h GLN 33 CO 0.01 0.00 -0.39 0.66 0.09 0.00 0.00 178.83 179.20 3fy1 n TYR 34 N -3.11 0.00 -2.40 0.06 4.01 -0.96 -4.72 117.16 110.04 3fy1 n TYR 34 Ca -0.03 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.33 3fy1 n TYR 34 Cb 0.13 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 3fy1 n TYR 34 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3fy1 s ARG 35 N -2.52 4.25 0.46 -0.72 0.52 -1.06 -4.99 118.95 114.88 3fy1 s ARG 35 Ca 0.21 1.76 -0.23 0.00 -0.52 0.00 0.00 55.73 56.94 3fy1 s ARG 35 Cb 0.19 -2.79 -0.08 0.00 0.52 0.00 0.00 34.95 32.79 3fy1 s ARG 35 CO 0.56 -0.13 1.15 -1.25 0.02 0.00 0.00 175.30 175.65 3fy1 s PRO 36 N -2.11 3.79 2.92 3.54 0.04 -1.26 -2.97 135.00 138.95 3fy1 s PRO 36 Ca 0.54 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.31 3fy1 s PRO 36 Cb -0.29 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 31.85 3fy1 s PRO 36 CO 0.37 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.30 3fy1 n GLY 37 N 0.41 2.94 0.19 0.56 0.00 -1.26 -0.92 105.19 107.10 3fy1 n GLY 37 Ca 0.07 0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.46 3fy1 n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fy1 h LEU 38 N 0.00 0.00 -0.02 0.99 3.38 -2.03 -2.16 115.31 115.47 3fy1 h LEU 38 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3fy1 h LEU 38 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3fy1 h LEU 38 CO 0.00 0.00 -0.48 1.23 0.09 0.00 0.00 178.44 179.28 3fy1 h GLY 39 N 0.15 0.00 -4.66 0.83 0.00 -1.28 -3.47 103.07 94.64 3fy1 h GLY 39 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3fy1 h GLY 39 CO 0.00 0.00 1.01 -2.13 0.00 0.00 0.00 176.54 175.42 3fy1 n ARG 40 N -3.23 2.79 -3.72 4.80 0.63 -0.82 -4.71 116.66 112.41 3fy1 n ARG 40 Ca 0.02 1.01 -0.18 0.00 -0.92 0.00 0.00 57.85 57.77 3fy1 n ARG 40 Cb 0.72 -2.85 -0.17 0.00 0.45 0.00 0.00 32.46 30.61 3fy1 n ARG 40 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 3fy1 s PHE 41 N 1.15 0.10 0.33 -0.14 5.36 -1.07 -4.98 117.98 118.73 3fy1 s PHE 41 Ca 0.75 0.18 0.09 0.00 -0.96 0.00 0.00 56.93 56.99 3fy1 s PHE 41 Cb -0.50 -0.42 -0.06 0.00 -0.34 0.00 0.00 43.02 41.70 3fy1 s PHE 41 CO 0.32 -0.16 -0.05 -1.64 -1.46 0.00 0.00 175.22 172.23 3fy1 s MET 42 N 1.76 1.96 0.45 10.12 -1.94 -1.26 -3.12 119.30 127.26 3fy1 s MET 42 Ca -0.00 -1.81 0.20 0.00 -1.71 0.00 0.00 55.69 52.37 3fy1 s MET 42 Cb -0.12 -1.84 1.17 0.00 2.01 0.00 0.00 34.83 36.05 3fy1 s MET 42 CO -0.03 0.16 1.89 -1.35 -0.01 0.00 0.00 175.02 175.68 3fy1 h PRO 43 N 1.93 0.29 0.00 2.03 0.11 -1.94 -0.96 132.00 133.47 3fy1 h PRO 43 Ca -0.42 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fy1 h PRO 43 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fy1 h PRO 43 CO 0.67 0.19 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 3fy1 n ASP 44 N -4.45 0.00 0.02 -2.05 8.00 -1.26 -1.97 116.55 114.83 3fy1 n ASP 44 Ca 0.17 0.08 0.14 0.00 0.71 0.00 0.00 54.79 55.89 3fy1 n ASP 44 Cb 0.69 -0.34 0.52 0.00 -0.02 0.00 0.00 41.12 41.97 3fy1 n ASP 44 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3fy1 n ASP 45 N -1.34 0.22 -4.69 -2.24 8.00 -0.36 -4.83 116.55 111.31 3fy1 n ASP 45 Ca 0.10 0.40 -0.42 0.00 0.71 0.00 0.00 54.79 55.58 3fy1 n ASP 45 Cb 0.22 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 3fy1 n ASP 45 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fy1 s ILE 46 N -3.02 4.40 -0.25 0.53 1.01 -0.83 -5.00 121.20 118.03 3fy1 s ILE 46 Ca 0.13 1.71 -0.29 0.00 0.00 0.00 0.00 60.65 62.20 3fy1 s ILE 46 Cb 0.17 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 3fy1 s ILE 46 CO 0.57 0.03 1.43 0.21 0.00 0.00 0.00 174.94 177.17 3fy1 s ASN 47 N 1.30 6.58 0.12 3.58 3.84 -1.26 -4.90 114.94 124.20 3fy1 s ASN 47 Ca 0.54 1.43 0.16 0.00 0.21 0.00 0.00 52.86 55.20 3fy1 s ASN 47 Cb -0.24 -2.54 0.70 0.00 -0.55 0.00 0.00 41.25 38.63 3fy1 s ASN 47 CO 0.22 -1.12 1.50 -0.81 -2.79 0.00 0.00 177.10 174.10 3fy1 n PRO 48 N 7.38 0.08 0.00 0.43 -0.04 -1.26 -2.31 135.00 139.27 3fy1 n PRO 48 Ca 0.16 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 64.12 3fy1 n PRO 48 Cb 0.46 -1.67 0.10 0.00 -0.04 0.00 0.00 33.50 32.35 3fy1 n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fy1 h LEU 50 N 0.26 -0.01 -9.56 0.00 5.85 -1.88 -3.47 115.31 106.49 3fy1 h LEU 50 Ca 0.00 -0.73 -0.56 0.00 0.84 0.00 0.00 57.88 57.43 3fy1 h LEU 50 Cb 0.52 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.45 3fy1 h LEU 50 CO 0.00 0.74 -0.64 0.00 -0.34 0.00 0.00 178.44 178.20 3fy1 h THR 52 N 1.87 0.93 -3.99 0.00 1.35 -1.07 -3.47 112.91 108.53 3fy1 h THR 52 Ca -0.44 -2.71 -0.37 0.00 -0.55 0.00 0.00 66.41 62.35 3fy1 h THR 52 Cb 1.25 2.43 -0.28 0.00 -1.73 0.00 0.00 68.15 69.82 3fy1 h THR 52 CO 0.61 0.53 -0.77 -1.00 -0.25 0.00 0.00 175.52 174.64 3fy1 s HIS 53 N -2.66 0.69 -0.09 4.73 3.76 -0.97 -2.67 115.29 118.09 3fy1 s HIS 53 Ca -0.03 -0.15 0.05 0.00 -0.15 0.00 0.00 55.06 54.77 3fy1 s HIS 53 Cb 0.08 -0.44 -0.00 0.00 1.11 0.00 0.00 32.58 33.33 3fy1 s HIS 53 CO 0.82 -0.01 -0.24 -0.51 -0.85 0.00 0.00 174.74 173.95 3fy1 s LEU 54 N -0.26 2.07 -0.08 0.89 1.43 -0.49 -1.11 118.68 121.14 3fy1 s LEU 54 Ca 0.02 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 3fy1 s LEU 54 Cb -0.03 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 3fy1 s LEU 54 CO -0.00 0.18 -0.24 -0.63 0.23 0.00 0.00 176.35 175.89 3fy1 s ILE 55 N 0.19 2.13 -0.30 -0.59 1.01 -0.03 -0.78 121.20 122.83 3fy1 s ILE 55 Ca -0.14 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.34 3fy1 s ILE 55 Cb -0.17 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 3fy1 s ILE 55 CO 0.07 0.56 0.38 -0.47 0.00 0.00 0.00 174.94 175.49 3fy1 s TYR 56 N 0.11 3.23 -0.19 3.97 5.04 0.11 -0.02 117.35 129.59 3fy1 s TYR 56 Ca -0.12 0.25 -0.04 0.00 -2.44 0.00 0.00 57.07 54.73 3fy1 s TYR 56 Cb -0.16 -2.63 -0.02 0.00 0.35 0.00 0.00 41.96 39.50 3fy1 s TYR 56 CO 0.06 -0.32 -0.03 0.00 -1.34 0.00 0.00 175.55 173.93 3fy1 s ALA 57 N 2.08 2.94 0.07 3.97 0.00 0.11 -0.45 121.76 130.48 3fy1 s ALA 57 Ca 0.14 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3fy1 s ALA 57 Cb -0.16 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 3fy1 s ALA 57 CO 0.11 -0.13 -0.05 -0.06 0.00 0.00 0.00 175.76 175.62 3fy1 s PHE 58 N 0.97 0.71 0.48 0.00 0.40 -1.26 -0.39 117.98 118.89 3fy1 s PHE 58 Ca 0.01 -0.88 -0.03 0.00 -0.60 0.00 0.00 56.93 55.43 3fy1 s PHE 58 Cb -0.14 -0.44 -0.02 0.00 0.51 0.00 0.00 43.02 42.93 3fy1 s PHE 58 CO 0.01 -0.21 0.76 0.00 0.70 0.00 0.00 175.22 176.48 3fy1 s ALA 59 N -3.25 3.50 0.00 5.36 0.00 0.56 -4.44 121.76 123.49 3fy1 s ALA 59 Ca 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3fy1 s ALA 59 Cb 0.03 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.73 3fy1 s ALA 59 CO -0.05 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.69 3fy1 n GLY 60 N -2.24 7.42 3.04 0.00 0.00 0.11 -2.57 105.19 110.94 3fy1 n GLY 60 Ca 0.01 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 3fy1 n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fy1 s MET 61 N 1.02 0.19 -0.07 1.61 1.75 -1.26 -1.48 119.30 121.06 3fy1 s MET 61 Ca 0.00 0.27 -0.03 0.00 -1.25 0.00 0.00 55.69 54.68 3fy1 s MET 61 Cb 0.00 0.05 0.04 0.00 2.84 0.00 0.00 34.83 37.77 3fy1 s MET 61 CO 0.00 -0.05 0.14 -1.14 -0.65 0.00 0.00 175.02 173.33 3fy1 s GLN 62 N 0.27 0.06 -1.53 4.11 2.00 0.26 -4.88 119.66 119.96 3fy1 s GLN 62 Ca -0.02 0.45 -0.08 0.00 -2.00 0.00 0.00 55.36 53.72 3fy1 s GLN 62 Cb -0.03 -0.23 0.06 0.00 0.80 0.00 0.00 33.01 33.61 3fy1 s GLN 62 CO -0.01 -0.23 0.58 0.09 -0.50 0.00 0.00 175.29 175.21 3fy1 n ASN 63 N 4.73 -1.65 -0.84 6.67 3.02 -1.26 -1.12 115.26 124.80 3fy1 n ASN 63 Ca -0.16 -1.00 -0.11 0.00 -0.03 0.00 0.00 54.58 53.28 3fy1 n ASN 63 Cb 0.51 -2.96 -0.05 0.00 -0.61 0.00 0.00 39.78 36.67 3fy1 n ASN 63 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fy1 n ASN 64 N -2.86 -4.70 -4.30 6.41 3.02 -1.26 -4.96 115.26 106.62 3fy1 n ASN 64 Ca -0.15 0.27 -0.28 0.00 -0.03 0.00 0.00 54.58 54.39 3fy1 n ASN 64 Cb 0.61 -3.16 -0.15 0.00 -0.61 0.00 0.00 39.78 36.47 3fy1 n ASN 64 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fy1 s GLU 65 N -2.79 1.66 0.39 3.52 2.02 -0.28 -2.47 118.70 120.75 3fy1 s GLU 65 Ca 0.00 -1.02 -0.26 0.00 0.02 0.00 0.00 54.97 53.70 3fy1 s GLU 65 Cb 0.00 -1.80 -0.09 0.00 0.10 0.00 0.00 34.13 32.35 3fy1 s GLU 65 CO 0.00 0.47 1.26 -1.50 0.02 0.00 0.00 175.26 175.50 3fy1 s ILE 66 N -0.78 2.81 0.16 -1.63 2.07 -1.26 -0.57 121.20 122.00 3fy1 s ILE 66 Ca 0.10 0.73 -0.10 0.00 -1.41 0.00 0.00 60.65 59.97 3fy1 s ILE 66 Cb -0.09 -3.43 -0.00 0.00 0.13 0.00 0.00 42.46 39.06 3fy1 s ILE 66 CO 0.02 0.11 0.30 0.28 -1.91 0.00 0.00 174.94 173.74 3fy1 s THR 67 N -1.28 0.07 0.84 4.00 -1.32 -0.55 -4.83 115.64 112.56 3fy1 s THR 67 Ca 0.55 -1.31 -0.11 0.00 -1.21 0.00 0.00 61.69 59.61 3fy1 s THR 67 Cb -0.36 -1.78 0.09 0.00 -1.51 0.00 0.00 72.50 68.94 3fy1 s THR 67 CO 0.46 -0.30 1.09 0.42 -2.21 0.00 0.00 174.62 174.08 3fy1 s THR 68 N -3.95 2.95 0.00 5.08 -4.23 -1.26 0.05 115.64 114.27 3fy1 s THR 68 Ca 0.16 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 3fy1 s THR 68 Cb 0.03 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.97 3fy1 s THR 68 CO -0.01 -0.40 0.00 2.30 -0.54 0.00 0.00 174.62 175.97 3fy1 n ILE 69 N -3.64 0.00 -4.35 2.99 -5.35 -1.26 -4.46 119.36 103.29 3fy1 n ILE 69 Ca 0.07 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.23 3fy1 n ILE 69 Cb 0.55 0.29 -0.09 0.00 -1.74 0.00 0.00 39.64 38.65 3fy1 n ILE 69 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3fy1 s GLU 70 N -1.31 2.65 0.36 6.28 0.41 -1.26 -5.03 118.70 120.80 3fy1 s GLU 70 Ca 0.00 -0.68 0.15 0.00 -0.41 0.00 0.00 54.97 54.02 3fy1 s GLU 70 Cb 0.00 -2.58 1.02 0.00 -1.78 0.00 0.00 34.13 30.79 3fy1 s GLU 70 CO 0.00 0.61 1.74 0.11 -0.49 0.00 0.00 175.26 177.23 3fy1 h TRP 71 N 4.35 0.83 -0.52 1.61 5.08 -1.99 -1.77 115.95 123.55 3fy1 h TRP 71 Ca -0.49 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3fy1 h TRP 71 Cb 1.17 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 27.09 3fy1 h TRP 71 CO 0.60 0.04 0.00 0.27 -1.28 0.00 0.00 178.44 178.07 3fy1 n ASN 72 N -4.77 4.73 -0.28 0.11 6.94 -1.26 -4.65 115.26 116.08 3fy1 n ASN 72 Ca 0.27 -2.69 0.05 0.00 -0.02 0.00 0.00 54.58 52.19 3fy1 n ASN 72 Cb 0.85 -0.58 0.19 0.00 -2.36 0.00 0.00 39.78 37.88 3fy1 n ASN 72 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3fy1 h ASP 73 N 3.39 0.47 -0.45 0.53 3.32 -1.74 -1.04 116.42 120.90 3fy1 h ASP 73 Ca 0.00 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.16 3fy1 h ASP 73 Cb 1.56 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 41.09 3fy1 h ASP 73 CO 0.29 0.21 0.27 0.58 -1.72 0.00 0.00 179.24 178.87 3fy1 h VAL 74 N 0.59 1.05 -0.74 -1.35 2.07 -1.84 0.58 116.25 116.61 3fy1 h VAL 74 Ca 0.42 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.73 3fy1 h VAL 74 Cb 0.57 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3fy1 h VAL 74 CO -0.35 0.10 0.34 0.74 0.02 0.00 0.00 177.57 178.42 3fy1 h THR 75 N 0.54 1.24 -0.56 2.57 2.02 -1.77 -2.27 112.91 114.68 3fy1 h THR 75 Ca 0.18 -0.71 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 3fy1 h THR 75 Cb 0.01 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 3fy1 h THR 75 CO -0.08 0.29 -0.01 -0.07 0.37 0.00 0.00 175.52 176.03 3fy1 h LEU 76 N 1.05 0.95 -0.44 2.58 3.38 -0.35 -2.33 115.31 120.15 3fy1 h LEU 76 Ca 0.25 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3fy1 h LEU 76 Cb 0.15 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3fy1 h LEU 76 CO -0.03 1.01 0.18 1.88 0.09 0.00 0.00 178.44 181.57 3fy1 h TYR 77 N 0.89 0.32 -0.36 1.13 0.05 0.36 0.70 116.97 120.05 3fy1 h TYR 77 Ca 0.16 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.99 3fy1 h TYR 77 Cb 0.54 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 3fy1 h TYR 77 CO 0.03 0.13 0.18 0.37 -1.05 0.00 0.00 178.16 177.83 3fy1 h GLN 78 N 0.36 0.36 -0.43 4.88 4.15 -1.10 0.90 115.11 124.22 3fy1 h GLN 78 Ca 0.20 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.51 3fy1 h GLN 78 Cb 0.16 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3fy1 h GLN 78 CO -0.18 0.24 -0.07 0.00 -1.93 0.00 0.00 178.83 176.88 3fy1 h ALA 79 N 1.19 0.59 0.57 3.38 0.00 -1.20 0.30 119.26 124.10 3fy1 h ALA 79 Ca 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3fy1 h ALA 79 Cb 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3fy1 h ALA 79 CO -0.11 0.45 -0.27 0.35 0.00 0.00 0.00 179.25 179.66 3fy1 h PHE 80 N 0.64 -0.71 0.00 0.00 3.04 -0.58 -3.00 116.94 116.34 3fy1 h PHE 80 Ca 0.11 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 3fy1 h PHE 80 Cb 0.59 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 3fy1 h PHE 80 CO 0.05 -0.41 -0.23 -0.91 -2.02 0.00 0.00 178.31 174.78 3fy1 h ASN 81 N -0.84 0.00 0.18 0.41 2.35 -0.88 -2.49 115.58 114.31 3fy1 h ASN 81 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3fy1 h ASN 81 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3fy1 h ASN 81 CO 0.13 0.23 0.00 1.23 -1.65 0.00 0.00 177.43 177.37 3fy1 h GLY 82 N 2.14 0.00 2.00 2.83 0.00 -0.80 -2.29 103.07 106.95 3fy1 h GLY 82 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3fy1 h GLY 82 CO 0.03 0.00 -0.04 1.41 0.00 0.00 0.00 176.54 177.93 3fy1 h LEU 83 N 0.00 0.00 -1.14 3.11 3.38 -1.31 -1.46 115.31 117.89 3fy1 h LEU 83 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fy1 h LEU 83 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3fy1 h LEU 83 CO 0.00 0.04 0.00 0.11 0.09 0.00 0.00 178.44 178.68 3fy1 h LYS 84 N 0.00 0.00 0.00 1.13 1.57 -1.62 -1.44 116.57 116.21 3fy1 h LYS 84 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fy1 h LYS 84 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3fy1 h LYS 84 CO 0.01 0.00 0.00 -0.91 -0.57 0.00 0.00 179.45 177.98 3fy1 h ASN 85 N 0.00 0.00 0.00 0.86 2.35 -1.46 -3.20 115.58 114.13 3fy1 h ASN 85 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3fy1 h ASN 85 Cb 0.32 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 3fy1 h ASN 85 CO 0.00 0.00 -1.84 0.29 -1.65 0.00 0.00 177.43 174.23 3fy1 n LYS 86 N -2.56 0.59 -3.56 0.81 5.02 -0.57 -4.84 118.16 113.05 3fy1 n LYS 86 Ca 0.03 -0.16 -0.27 0.00 -2.02 0.00 0.00 58.31 55.89 3fy1 n LYS 86 Cb 0.32 -1.43 -0.16 0.00 -0.02 0.00 0.00 35.03 33.75 3fy1 n LYS 86 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3fy1 s ASN 87 N -4.13 2.92 0.16 4.39 3.84 -1.04 -4.90 114.94 116.17 3fy1 s ASN 87 Ca -0.07 -0.96 0.20 0.00 0.21 0.00 0.00 52.86 52.25 3fy1 s ASN 87 Cb 0.11 -0.25 0.85 0.00 -0.55 0.00 0.00 41.25 41.41 3fy1 s ASN 87 CO 0.74 -0.40 1.62 -1.54 -2.79 0.00 0.00 177.10 174.74 3fy1 n SER 88 N 5.27 0.42 0.13 -4.21 3.41 -1.23 -2.19 113.62 115.21 3fy1 n SER 88 Ca -0.06 0.60 0.05 0.00 -0.26 0.00 0.00 58.87 59.21 3fy1 n SER 88 Cb 0.45 -0.69 0.03 0.00 -0.26 0.00 0.00 64.21 63.73 3fy1 n SER 88 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3fy1 h GLN 89 N 0.00 0.00 -6.78 4.33 7.50 -1.88 -3.48 115.11 114.81 3fy1 h GLN 89 Ca 0.00 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.62 3fy1 h GLN 89 Cb 0.32 0.00 0.06 0.00 0.05 0.00 0.00 27.48 27.91 3fy1 h GLN 89 CO 0.00 0.26 0.74 -1.17 -1.50 0.00 0.00 178.83 177.16 3fy1 s LEU 90 N -6.06 4.39 0.07 1.46 2.96 -0.93 -4.97 118.68 115.59 3fy1 s LEU 90 Ca 0.02 2.70 0.09 0.00 -0.22 0.00 0.00 54.13 56.72 3fy1 s LEU 90 Cb 0.08 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 3fy1 s LEU 90 CO 0.75 -0.69 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.34 3fy1 s LYS 91 N -0.73 1.85 0.07 1.98 -0.14 -1.09 -4.92 119.74 116.77 3fy1 s LYS 91 Ca 0.57 -1.10 0.09 0.00 -1.36 0.00 0.00 55.97 54.17 3fy1 s LYS 91 Cb -0.42 -2.07 -0.03 0.00 -1.68 0.00 0.00 37.83 33.63 3fy1 s LYS 91 CO 0.46 0.51 -0.24 0.95 -0.76 0.00 0.00 175.35 176.28 3fy1 s THR 92 N -0.94 1.93 0.13 2.17 -4.23 -1.26 -1.39 115.64 112.05 3fy1 s THR 92 Ca 0.14 -1.44 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 3fy1 s THR 92 Cb -0.10 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 3fy1 s THR 92 CO 0.05 0.18 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.45 3fy1 s LEU 93 N -1.52 2.52 -0.18 4.79 1.02 0.04 -0.32 118.68 125.03 3fy1 s LEU 93 Ca 0.10 -1.00 -0.03 0.00 0.02 0.00 0.00 54.13 53.22 3fy1 s LEU 93 Cb -0.10 -0.29 -0.01 0.00 0.02 0.00 0.00 46.19 45.81 3fy1 s LEU 93 CO 0.03 -0.35 -0.07 -0.22 0.02 0.00 0.00 176.35 175.76 3fy1 s LEU 94 N -3.09 2.92 -0.04 1.79 2.96 -0.68 -0.71 118.68 121.83 3fy1 s LEU 94 Ca 0.15 -0.32 -0.19 0.00 -0.22 0.00 0.00 54.13 53.56 3fy1 s LEU 94 Cb 0.03 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 3fy1 s LEU 94 CO -0.01 0.07 0.52 0.00 -1.32 0.00 0.00 176.35 175.61 3fy1 s ALA 95 N 0.93 3.53 -0.10 5.97 0.00 0.41 -0.77 121.76 131.72 3fy1 s ALA 95 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 3fy1 s ALA 95 Cb -0.15 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 3fy1 s ALA 95 CO 0.01 0.18 -0.08 -1.50 0.00 0.00 0.00 175.76 174.36 3fy1 s ILE 96 N -0.11 3.55 0.00 0.00 2.07 -0.46 -0.32 121.20 125.92 3fy1 s ILE 96 Ca 0.28 -0.51 0.00 0.00 -1.41 0.00 0.00 60.65 59.01 3fy1 s ILE 96 Cb -0.17 -2.48 0.00 0.00 0.13 0.00 0.00 42.46 39.94 3fy1 s ILE 96 CO 0.14 0.55 0.00 0.61 -1.91 0.00 0.00 174.94 174.33 3fy1 n GLY 97 N 2.87 0.67 0.00 1.50 0.00 -1.06 -0.71 105.19 108.46 3fy1 n GLY 97 Ca -0.18 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3fy1 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fy1 n GLY 98 N 0.00 1.60 0.13 -0.02 0.00 0.65 -4.43 105.19 103.11 3fy1 n GLY 98 Ca 0.00 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 3fy1 n GLY 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3fy1 h TRP 99 N 0.00 -0.19 0.00 1.61 2.91 -1.92 -2.55 115.95 115.81 3fy1 h TRP 99 Ca 0.00 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.04 3fy1 h TRP 99 Cb 0.00 0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.75 3fy1 h TRP 99 CO 0.00 -0.12 -0.00 -0.91 -1.03 0.00 0.00 178.44 176.38 3fy1 h ASN 100 N -0.08 0.00 0.41 2.65 2.35 -1.96 -2.69 115.58 116.26 3fy1 h ASN 100 Ca 0.08 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 3fy1 h ASN 100 Cb 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3fy1 h ASN 100 CO -0.18 0.00 -0.28 0.15 -1.65 0.00 0.00 177.43 175.48 3fy1 h PHE 101 N 0.00 0.00 -0.54 1.19 3.57 -1.67 -3.49 116.94 116.00 3fy1 h PHE 101 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3fy1 h PHE 101 Cb 0.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3fy1 h PHE 101 CO 0.00 0.28 0.00 0.41 -2.23 0.00 0.00 178.31 176.77 3fy1 n GLY 102 N -0.51 0.11 0.00 2.40 0.00 -1.02 -4.64 105.19 101.55 3fy1 n GLY 102 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 46.02 45.05 3fy1 n GLY 102 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fy1 n THR 103 N 0.00 0.00 -0.07 2.61 -2.24 -1.26 -4.50 114.28 108.81 3fy1 n THR 103 Ca 0.00 -0.11 -0.07 0.00 -2.27 0.00 0.00 64.05 61.60 3fy1 n THR 103 Cb 0.00 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 3fy1 n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fy1 h ALA 104 N 0.40 0.04 -0.29 6.98 0.00 -1.88 0.21 119.26 124.72 3fy1 h ALA 104 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3fy1 h ALA 104 Cb 0.19 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3fy1 h ALA 104 CO 0.00 -0.57 -0.05 -1.35 0.00 0.00 0.00 179.25 177.28 3fy1 h PRO 105 N -0.14 0.46 -0.24 0.00 0.11 -1.87 -1.79 132.00 128.53 3fy1 h PRO 105 Ca 0.15 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 3fy1 h PRO 105 Cb 0.38 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3fy1 h PRO 105 CO -0.38 0.52 -0.02 0.74 -0.21 0.00 0.00 178.00 178.65 3fy1 h PHE 106 N 0.44 0.48 -0.29 0.65 0.04 -1.68 -1.13 116.94 115.45 3fy1 h PHE 106 Ca 0.09 -0.09 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3fy1 h PHE 106 Cb 0.36 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 3fy1 h PHE 106 CO 0.01 0.63 0.09 1.15 -0.60 0.00 0.00 178.31 179.59 3fy1 h THR 107 N 0.20 0.91 -0.81 -1.55 2.02 -0.80 -1.01 112.91 111.87 3fy1 h THR 107 Ca 0.07 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3fy1 h THR 107 Cb 0.45 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3fy1 h THR 107 CO 0.02 0.04 0.40 0.00 0.37 0.00 0.00 175.52 176.34 3fy1 h ALA 108 N 1.19 1.04 -0.44 6.16 0.00 -1.30 -2.29 119.26 123.62 3fy1 h ALA 108 Ca 0.13 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3fy1 h ALA 108 Cb 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3fy1 h ALA 108 CO -0.14 0.59 -0.24 1.98 0.00 0.00 0.00 179.25 181.44 3fy1 h MET 109 N 1.14 0.92 0.00 0.00 -1.53 -0.77 -3.05 114.93 111.63 3fy1 h MET 109 Ca 0.28 -0.40 0.00 0.00 -3.44 0.00 0.00 59.70 56.14 3fy1 h MET 109 Cb 0.10 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.13 3fy1 h MET 109 CO -0.04 1.05 -0.22 1.33 0.14 0.00 0.00 176.91 179.18 3fy1 n VAL 110 N -4.10 0.20 0.27 -5.77 0.24 -0.42 -2.27 118.33 106.47 3fy1 n VAL 110 Ca -0.00 -0.11 0.12 0.00 -2.04 0.00 0.00 64.34 62.30 3fy1 n VAL 110 Cb 0.46 -0.29 0.74 0.00 -1.47 0.00 0.00 33.84 33.28 3fy1 n VAL 110 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3fy1 h SER 111 N 0.00 0.00 -4.65 -1.34 4.64 -1.29 -3.43 113.55 107.48 3fy1 h SER 111 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 3fy1 h SER 111 Cb 0.60 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.47 3fy1 h SER 111 CO 0.00 0.09 -0.74 0.42 -0.87 0.00 0.00 176.83 175.73 3fy1 s THR 112 N -4.47 0.56 0.39 2.95 -4.23 -1.26 -5.04 115.64 104.53 3fy1 s THR 112 Ca -0.04 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 59.54 3fy1 s THR 112 Cb 0.14 -0.60 0.27 0.00 1.34 0.00 0.00 72.50 73.65 3fy1 s THR 112 CO 0.60 -0.31 2.04 1.55 -0.54 0.00 0.00 174.62 177.95 3fy1 h PRO 113 N 4.67 0.65 -0.27 3.99 0.13 -1.90 -2.32 132.00 136.94 3fy1 h PRO 113 Ca -0.35 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 64.80 3fy1 h PRO 113 Cb 1.20 -0.15 -0.06 0.00 0.13 0.00 0.00 31.00 32.12 3fy1 h PRO 113 CO 0.42 0.43 -0.12 0.93 -0.23 0.00 0.00 178.00 179.42 3fy1 h GLU 114 N 0.67 -0.08 -0.43 0.86 3.07 -1.96 -0.87 114.58 115.84 3fy1 h GLU 114 Ca 0.19 0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.95 3fy1 h GLU 114 Cb -0.03 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 3fy1 h GLU 114 CO -0.04 -0.05 -0.16 -0.91 -1.40 0.00 0.00 179.01 176.45 3fy1 h ASN 115 N -0.08 0.82 -0.75 1.42 2.35 -1.68 -1.22 115.58 116.44 3fy1 h ASN 115 Ca 0.14 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.57 3fy1 h ASN 115 Cb 0.29 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3fy1 h ASN 115 CO -0.32 0.97 0.25 0.03 -1.65 0.00 0.00 177.43 176.71 3fy1 h ARG 116 N 0.73 1.15 -0.37 0.81 3.08 -0.99 -1.21 114.38 117.59 3fy1 h ARG 116 Ca 0.11 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 59.78 3fy1 h ARG 116 Cb 0.66 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3fy1 h ARG 116 CO 0.05 0.96 -0.35 0.37 -1.07 0.00 0.00 179.97 179.93 3fy1 h GLN 117 N 1.11 0.89 -0.55 0.04 5.75 -0.87 0.14 115.11 121.63 3fy1 h GLN 117 Ca 0.25 -0.46 0.06 0.00 -0.15 0.00 0.00 58.65 58.34 3fy1 h GLN 117 Cb 0.28 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.79 3fy1 h GLN 117 CO -0.01 1.11 0.27 1.15 -2.65 0.00 0.00 178.83 178.70 3fy1 h THR 118 N 0.69 0.92 0.21 2.39 2.02 -1.09 -1.26 112.91 116.80 3fy1 h THR 118 Ca 0.06 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3fy1 h THR 118 Cb 0.94 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3fy1 h THR 118 CO 0.09 0.09 -0.10 0.15 0.37 0.00 0.00 175.52 176.12 3fy1 h PHE 119 N 0.51 -0.27 -0.41 3.16 3.57 -0.89 -2.43 116.94 120.18 3fy1 h PHE 119 Ca 0.25 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.78 3fy1 h PHE 119 Cb 0.18 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3fy1 h PHE 119 CO -0.11 0.00 0.17 0.82 -2.23 0.00 0.00 178.31 176.96 3fy1 h ILE 120 N -0.51 0.92 -0.30 1.41 2.04 -0.85 -0.14 117.51 120.08 3fy1 h ILE 120 Ca -0.03 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.74 3fy1 h ILE 120 Cb 0.39 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3fy1 h ILE 120 CO 0.05 0.07 0.10 0.74 0.00 0.00 0.00 178.15 179.10 3fy1 h THR 121 N 0.36 0.91 -0.76 -0.27 2.02 -1.28 -1.44 112.91 112.45 3fy1 h THR 121 Ca 0.19 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.29 3fy1 h THR 121 Cb 0.14 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 3fy1 h THR 121 CO -0.16 0.04 0.50 0.77 0.37 0.00 0.00 175.52 177.04 3fy1 h SER 122 N 0.23 0.88 -0.25 4.18 4.64 -0.94 -2.38 113.55 119.92 3fy1 h SER 122 Ca 0.14 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3fy1 h SER 122 Cb 0.11 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3fy1 h SER 122 CO -0.14 0.64 0.00 0.58 -0.87 0.00 0.00 176.83 177.04 3fy1 h VAL 123 N 1.04 1.25 -0.25 0.95 2.07 -0.43 -0.06 116.25 120.81 3fy1 h VAL 123 Ca 0.28 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.93 3fy1 h VAL 123 Cb -0.12 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3fy1 h VAL 123 CO -0.06 0.28 0.10 0.40 0.02 0.00 0.00 177.57 178.31 3fy1 h ILE 124 N 0.21 0.96 -0.11 4.57 2.04 -1.10 -0.68 117.51 123.40 3fy1 h ILE 124 Ca 0.07 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3fy1 h ILE 124 Cb 0.41 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3fy1 h ILE 124 CO 0.01 0.04 0.07 0.50 0.00 0.00 0.00 178.15 178.77 3fy1 h LYS 125 N 0.22 0.14 0.24 2.37 3.64 -1.35 -2.35 116.57 119.49 3fy1 h LYS 125 Ca 0.11 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3fy1 h LYS 125 Cb 0.06 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3fy1 h LYS 125 CO -0.10 0.11 -0.13 0.35 -2.27 0.00 0.00 179.45 177.41 3fy1 h PHE 126 N 0.14 -0.34 -0.60 1.91 3.04 -0.76 -0.66 116.94 119.66 3fy1 h PHE 126 Ca 0.04 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 3fy1 h PHE 126 Cb -0.00 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.60 3fy1 h PHE 126 CO -0.07 -0.21 0.23 -0.07 -2.02 0.00 0.00 178.31 176.17 3fy1 h LEU 127 N -0.35 0.84 -0.62 0.59 3.38 -1.12 -1.78 115.31 116.25 3fy1 h LEU 127 Ca -0.03 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 3fy1 h LEU 127 Cb 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3fy1 h LEU 127 CO 0.04 0.79 -0.34 0.03 0.09 0.00 0.00 178.44 179.05 3fy1 h ARG 128 N 0.84 0.72 -0.43 1.13 2.47 -1.40 0.11 114.38 117.81 3fy1 h ARG 128 Ca 0.20 -0.34 -0.05 0.00 -1.26 0.00 0.00 59.98 58.53 3fy1 h ARG 128 Cb 0.22 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 3fy1 h ARG 128 CO -0.01 0.95 0.06 0.37 0.56 0.00 0.00 179.97 181.90 3fy1 h GLN 129 N 0.60 0.71 -0.25 0.04 4.15 -0.77 -3.18 115.11 116.42 3fy1 h GLN 129 Ca 0.06 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.29 3fy1 h GLN 129 Cb 0.87 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.47 3fy1 h GLN 129 CO 0.08 0.75 0.00 0.66 -1.93 0.00 0.00 178.83 178.39 3fy1 n TYR 130 N -4.48 0.31 -2.95 3.99 4.01 -0.70 -4.97 117.16 112.36 3fy1 n TYR 130 Ca -0.00 -0.16 -0.10 0.00 -0.16 0.00 0.00 57.90 57.48 3fy1 n TYR 130 Cb 0.24 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.31 3fy1 n TYR 130 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3fy1 n GLU 131 N 1.13 -3.40 -3.40 -0.72 1.02 -0.48 -4.77 120.64 110.02 3fy1 n GLU 131 Ca 0.18 0.36 -0.32 0.00 -0.02 0.00 0.00 57.16 57.35 3fy1 n GLU 131 Cb 0.53 -3.96 -0.05 0.00 -0.02 0.00 0.00 31.44 27.94 3fy1 n GLU 131 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3fy1 s PHE 132 N -3.14 3.44 -1.95 -0.32 0.08 0.25 -4.87 117.98 111.47 3fy1 s PHE 132 Ca 0.24 0.90 0.25 0.00 0.12 0.00 0.00 56.93 58.44 3fy1 s PHE 132 Cb -0.10 -2.28 0.57 0.00 -0.57 0.00 0.00 43.02 40.63 3fy1 s PHE 132 CO 0.31 0.28 1.45 -0.25 -0.10 0.00 0.00 175.22 176.91 3fy1 n ASP 133 N -0.05 1.41 -3.84 1.36 8.00 0.56 -4.53 116.55 119.46 3fy1 n ASP 133 Ca -0.00 -1.16 0.04 0.00 0.71 0.00 0.00 54.79 54.39 3fy1 n ASP 133 Cb 0.52 0.21 0.01 0.00 -0.02 0.00 0.00 41.12 41.84 3fy1 n ASP 133 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3fy1 s GLY 134 N -2.43 -0.32 -0.08 0.44 0.00 -1.07 -0.42 107.32 103.44 3fy1 s GLY 134 Ca 0.24 0.46 0.04 0.00 0.00 0.00 0.00 44.72 45.46 3fy1 s GLY 134 CO 0.51 4.35 -0.21 -2.27 0.00 0.00 0.00 173.10 175.48 3fy1 s LEU 135 N -3.60 2.28 -0.32 0.66 2.96 -0.13 -1.68 118.68 118.85 3fy1 s LEU 135 Ca 0.26 -0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 53.63 3fy1 s LEU 135 Cb 0.03 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.28 3fy1 s LEU 135 CO -0.04 0.21 0.13 -0.62 -1.32 0.00 0.00 176.35 174.71 3fy1 s ASP 136 N 0.03 5.37 0.01 3.68 2.15 0.05 -0.86 116.67 127.11 3fy1 s ASP 136 Ca -0.08 -0.79 -0.30 0.00 0.43 0.00 0.00 52.55 51.81 3fy1 s ASP 136 Cb -0.15 -1.94 -0.05 0.00 -0.30 0.00 0.00 42.92 40.48 3fy1 s ASP 136 CO 0.05 -0.25 1.26 -0.36 -0.17 0.00 0.00 175.17 175.70 3fy1 s PHE 137 N 1.52 3.19 -0.51 -5.34 0.40 0.03 -1.35 117.98 115.91 3fy1 s PHE 137 Ca 0.02 1.13 0.07 0.00 -0.60 0.00 0.00 56.93 57.55 3fy1 s PHE 137 Cb -0.18 -3.50 0.32 0.00 0.51 0.00 0.00 43.02 40.17 3fy1 s PHE 137 CO 0.04 -1.66 0.82 -3.47 0.70 0.00 0.00 175.22 171.65 3fy1 n ASP 138 N 4.74 2.97 -4.60 1.36 2.03 0.12 -0.46 116.55 122.71 3fy1 n ASP 138 Ca 0.11 -3.37 -0.42 0.00 0.52 0.00 0.00 54.79 51.62 3fy1 n ASP 138 Cb 0.45 -0.60 -0.04 0.00 -0.72 0.00 0.00 41.12 40.21 3fy1 n ASP 138 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 3fy1 s TRP 139 N -2.83 3.13 -0.50 -0.67 -0.11 -1.26 -0.25 118.94 116.45 3fy1 s TRP 139 Ca 0.44 0.74 0.02 0.00 1.22 0.00 0.00 56.10 58.52 3fy1 s TRP 139 Cb 0.27 -3.43 0.13 0.00 -1.50 0.00 0.00 33.47 28.94 3fy1 s TRP 139 CO -0.10 -0.71 0.26 -1.21 -4.62 0.00 0.00 176.95 170.57 3fy1 s GLU 140 N 3.19 2.01 0.06 5.86 2.02 -1.26 -4.19 118.70 126.39 3fy1 s GLU 140 Ca 0.34 -2.43 -0.02 0.00 0.02 0.00 0.00 54.97 52.88 3fy1 s GLU 140 Cb -0.13 -3.40 -0.03 0.00 0.10 0.00 0.00 34.13 30.67 3fy1 s GLU 140 CO 0.16 -1.09 0.02 0.71 0.02 0.00 0.00 175.26 175.07 3fy1 s TYR 141 N 0.05 0.47 0.33 1.61 1.51 -1.26 -4.54 117.35 115.52 3fy1 s TYR 141 Ca 0.15 -0.99 -0.29 0.00 -1.01 0.00 0.00 57.07 54.94 3fy1 s TYR 141 Cb -0.23 -0.33 -0.11 0.00 -0.11 0.00 0.00 41.96 41.17 3fy1 s TYR 141 CO -0.02 -0.42 1.53 -2.14 -1.11 0.00 0.00 175.55 173.39 3fy1 s PRO 142 N -3.91 4.12 0.00 -1.71 0.02 -1.26 -2.55 135.00 129.71 3fy1 s PRO 142 Ca 0.07 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.65 3fy1 s PRO 142 Cb 0.07 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.59 3fy1 s PRO 142 CO -0.10 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 3fy1 n GLY 143 N 1.35 0.77 3.32 0.52 0.00 -1.24 -3.69 105.19 106.22 3fy1 n GLY 143 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 3fy1 n GLY 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fy1 s SER 144 N -2.72 1.34 -1.54 1.61 1.04 -1.06 -4.77 113.70 107.61 3fy1 s SER 144 Ca 0.00 -1.66 -0.10 0.00 0.48 0.00 0.00 55.95 54.67 3fy1 s SER 144 Cb 0.00 0.56 0.08 0.00 0.10 0.00 0.00 66.02 66.75 3fy1 s SER 144 CO 0.00 -1.08 0.70 0.54 0.98 0.00 0.00 173.24 174.38 3fy1 n ARG 145 N -0.57 -3.87 0.00 4.02 1.74 -1.26 -1.47 116.66 115.24 3fy1 n ARG 145 Ca 0.06 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 3fy1 n ARG 145 Cb 0.63 -5.00 0.00 0.00 -1.02 0.00 0.00 32.46 27.06 3fy1 n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fy1 n GLY 146 N -1.67 3.07 3.68 -0.13 0.00 -1.26 -4.41 105.19 104.47 3fy1 n GLY 146 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3fy1 n GLY 146 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fy1 s SER 147 N -1.15 6.96 0.79 1.61 0.15 -0.55 -4.99 113.70 116.53 3fy1 s SER 147 Ca 0.00 1.91 -0.11 0.00 0.70 0.00 0.00 55.95 58.45 3fy1 s SER 147 Cb 0.00 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.82 3fy1 s SER 147 CO 0.00 -0.65 1.08 -2.16 1.20 0.00 0.00 173.24 172.71 3fy1 s PRO 148 N 2.45 2.16 0.47 5.44 0.04 -1.26 -3.10 135.00 141.20 3fy1 s PRO 148 Ca 0.59 0.93 0.21 0.00 0.04 0.00 0.00 61.00 62.76 3fy1 s PRO 148 Cb -0.27 -1.90 1.20 0.00 0.04 0.00 0.00 34.50 33.57 3fy1 s PRO 148 CO 0.23 -1.64 1.92 -1.35 0.04 0.00 0.00 177.00 176.20 3fy1 h PRO 149 N -1.12 0.25 0.00 0.56 0.11 -1.94 -1.71 132.00 128.15 3fy1 h PRO 149 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fy1 h PRO 149 Cb 1.25 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fy1 h PRO 149 CO 0.55 0.16 -0.00 -0.56 -0.21 0.00 0.00 178.00 177.94 3fy1 h GLN 150 N 0.25 0.00 0.00 1.05 -0.00 -1.96 -2.87 115.11 111.58 3fy1 h GLN 150 Ca 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.99 3fy1 h GLN 150 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.53 3fy1 h GLN 150 CO -0.08 0.00 -0.12 -0.44 -0.00 0.00 0.00 178.83 178.19 3fy1 h ASP 151 N 0.00 0.00 -0.00 0.06 3.32 -1.67 -1.21 116.42 116.92 3fy1 h ASP 151 Ca -0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3fy1 h ASP 151 Cb 0.32 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3fy1 h ASP 151 CO 0.00 0.12 -0.11 0.50 -1.72 0.00 0.00 179.24 178.03 3fy1 h LYS 152 N 0.00 -0.19 -0.17 3.56 3.64 -1.70 0.48 116.57 122.19 3fy1 h LYS 152 Ca -0.00 0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.18 3fy1 h LYS 152 Cb 0.43 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3fy1 h LYS 152 CO 0.02 -0.12 -0.74 1.25 -2.27 0.00 0.00 179.45 177.59 3fy1 h HIS 153 N -0.19 1.04 0.00 1.91 2.76 -1.71 -3.24 115.15 115.72 3fy1 h HIS 153 Ca 0.04 -0.44 -0.03 0.00 -2.20 0.00 0.00 60.37 57.74 3fy1 h HIS 153 Cb 0.25 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.04 3fy1 h HIS 153 CO -0.18 1.27 -0.13 -0.07 -1.30 0.00 0.00 177.93 177.53 3fy1 h LEU 154 N 0.55 0.00 -0.31 0.26 3.38 -1.10 -1.31 115.31 116.78 3fy1 h LEU 154 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3fy1 h LEU 154 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3fy1 h LEU 154 CO 0.15 0.13 0.13 0.15 0.09 0.00 0.00 178.44 179.09 3fy1 h PHE 155 N 0.00 0.47 -0.48 1.13 3.57 -0.93 -0.49 116.94 120.21 3fy1 h PHE 155 Ca -0.00 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.53 3fy1 h PHE 155 Cb 0.24 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 3fy1 h PHE 155 CO 0.00 0.44 0.17 1.15 -2.23 0.00 0.00 178.31 177.84 3fy1 h THR 156 N 0.36 0.83 -0.15 4.41 2.02 -1.31 -1.45 112.91 117.63 3fy1 h THR 156 Ca 0.11 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.18 3fy1 h THR 156 Cb 0.17 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3fy1 h THR 156 CO -0.01 0.06 0.06 0.58 0.37 0.00 0.00 175.52 176.58 3fy1 h VAL 157 N 0.34 0.97 -0.29 3.16 2.07 -1.08 -0.03 116.25 121.40 3fy1 h VAL 157 Ca 0.23 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.76 3fy1 h VAL 157 Cb 0.24 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3fy1 h VAL 157 CO -0.24 0.02 -0.06 0.25 0.02 0.00 0.00 177.57 177.57 3fy1 h LEU 158 N 0.13 -0.23 -0.44 2.57 5.85 -0.79 0.25 115.31 122.64 3fy1 h LEU 158 Ca 0.06 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3fy1 h LEU 158 Cb 0.03 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3fy1 h LEU 158 CO -0.06 -0.08 0.11 0.58 -0.34 0.00 0.00 178.44 178.65 3fy1 h VAL 159 N 0.02 1.23 -0.10 1.05 2.07 -1.04 0.25 116.25 119.73 3fy1 h VAL 159 Ca 0.14 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3fy1 h VAL 159 Cb 0.21 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3fy1 h VAL 159 CO -0.28 0.29 -0.05 -0.61 0.02 0.00 0.00 177.57 176.93 3fy1 h GLN 160 N 0.57 -0.04 -0.84 1.57 4.15 -0.70 0.67 115.11 120.49 3fy1 h GLN 160 Ca 0.14 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 3fy1 h GLN 160 Cb 0.32 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 3fy1 h GLN 160 CO 0.00 -0.03 0.42 0.93 -1.93 0.00 0.00 178.83 178.22 3fy1 h GLU 161 N -0.05 1.19 0.07 1.69 5.08 -0.75 -0.34 114.58 121.48 3fy1 h GLU 161 Ca 0.06 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3fy1 h GLU 161 Cb 0.13 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3fy1 h GLU 161 CO -0.13 0.90 -0.03 1.98 -1.00 0.00 0.00 179.01 180.73 3fy1 h MET 162 N 1.19 -0.09 -0.40 2.33 4.05 -0.69 0.64 114.93 121.96 3fy1 h MET 162 Ca 0.29 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.78 3fy1 h MET 162 Cb 0.09 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.86 3fy1 h MET 162 CO -0.04 0.13 0.08 -0.09 0.23 0.00 0.00 176.91 177.22 3fy1 h ARG 163 N -0.31 0.20 -0.48 0.39 9.65 -0.66 0.17 114.38 123.34 3fy1 h ARG 163 Ca -0.01 -0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 3fy1 h ARG 163 Cb 0.27 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 3fy1 h ARG 163 CO 0.02 0.14 -0.00 0.93 2.80 0.00 0.00 179.97 183.85 3fy1 h GLU 164 N 0.21 0.81 -0.32 0.20 5.08 -1.01 -1.22 114.58 118.33 3fy1 h GLU 164 Ca 0.19 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 3fy1 h GLU 164 Cb 0.23 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3fy1 h GLU 164 CO -0.25 0.81 -0.20 0.00 -1.00 0.00 0.00 179.01 178.37 3fy1 h ALA 165 N 1.24 1.05 -0.51 3.43 0.00 -0.12 -1.78 119.26 122.58 3fy1 h ALA 165 Ca 0.15 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3fy1 h ALA 165 Cb 0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3fy1 h ALA 165 CO 0.02 0.57 -0.02 0.74 0.00 0.00 0.00 179.25 180.57 3fy1 h PHE 166 N 0.53 1.00 -0.86 0.00 0.04 -0.32 -0.48 116.94 116.85 3fy1 h PHE 166 Ca 0.08 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 3fy1 h PHE 166 Cb 0.64 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 3fy1 h PHE 166 CO 0.03 0.93 0.47 0.93 -0.60 0.00 0.00 178.31 180.07 3fy1 h GLU 167 N 0.78 1.21 -0.25 1.51 5.08 -1.02 -1.44 114.58 120.46 3fy1 h GLU 167 Ca 0.14 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 3fy1 h GLU 167 Cb 0.55 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3fy1 h GLU 167 CO 0.03 0.89 -0.56 1.96 -1.00 0.00 0.00 179.01 180.32 3fy1 h GLN 168 N 1.21 0.81 -0.76 2.33 1.08 -1.20 -3.07 115.11 115.51 3fy1 h GLN 168 Ca 0.30 -0.55 -0.01 0.00 -1.45 0.00 0.00 58.65 56.94 3fy1 h GLN 168 Cb 0.04 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 3fy1 h GLN 168 CO -0.05 1.17 0.43 1.49 -0.95 0.00 0.00 178.83 180.93 3fy1 h GLU 169 N 0.57 1.05 -0.90 1.46 4.22 -0.95 -1.94 114.58 118.08 3fy1 h GLU 169 Ca -0.00 -0.11 0.04 0.00 0.08 0.00 0.00 59.36 59.37 3fy1 h GLU 169 Cb 1.18 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 3fy1 h GLU 169 CO 0.12 0.76 0.59 0.00 -2.18 0.00 0.00 179.01 178.30 3fy1 h ALA 170 N 1.41 1.44 -0.28 2.92 0.00 -1.22 -2.35 119.26 121.18 3fy1 h ALA 170 Ca 0.27 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 3fy1 h ALA 170 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3fy1 h ALA 170 CO -0.05 0.47 -0.54 0.87 0.00 0.00 0.00 179.25 180.00 3fy1 h LYS 171 N 1.12 0.84 0.58 0.00 1.57 -1.32 -1.47 116.57 117.89 3fy1 h LYS 171 Ca 0.36 -0.53 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3fy1 h LYS 171 Cb 0.04 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3fy1 h LYS 171 CO -0.11 1.16 -0.38 1.96 -0.57 0.00 0.00 179.45 181.51 3fy1 h GLN 172 N 0.65 -0.89 -0.01 3.15 4.20 -0.97 -3.25 115.11 117.99 3fy1 h GLN 172 Ca 0.02 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3fy1 h GLN 172 Cb 1.14 0.20 0.00 0.00 0.30 0.00 0.00 27.48 29.13 3fy1 h GLN 172 CO 0.12 -0.59 -0.15 0.44 -0.67 0.00 0.00 178.83 177.98 3fy1 n ILE 173 N -5.51 0.00 -3.33 2.54 -5.35 -0.92 -4.99 119.36 101.80 3fy1 n ILE 173 Ca -0.12 -0.24 -0.10 0.00 -0.27 0.00 0.00 62.75 62.01 3fy1 n ILE 173 Cb 0.40 0.70 0.01 0.00 -1.74 0.00 0.00 39.64 39.01 3fy1 n ILE 173 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3fy1 n ASN 174 N 0.03 -6.71 -3.65 7.28 5.15 -0.59 -5.05 115.26 111.72 3fy1 n ASN 174 Ca 0.15 -0.43 -0.13 0.00 -0.60 0.00 0.00 54.58 53.56 3fy1 n ASN 174 Cb 0.40 -4.11 -0.06 0.00 -0.53 0.00 0.00 39.78 35.48 3fy1 n ASN 174 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3fy1 s LYS 175 N -3.86 0.94 0.34 1.20 1.02 -0.99 -5.07 119.74 113.33 3fy1 s LYS 175 Ca 0.06 -0.31 -0.28 0.00 0.02 0.00 0.00 55.97 55.45 3fy1 s LYS 175 Cb -0.02 0.42 -0.12 0.00 -0.52 0.00 0.00 37.83 37.59 3fy1 s LYS 175 CO 0.80 -0.32 1.33 -2.30 -0.92 0.00 0.00 175.35 173.94 3fy1 n PRO 176 N 0.53 2.23 -1.57 -1.68 -0.02 -1.26 -4.53 135.00 128.69 3fy1 n PRO 176 Ca -0.19 0.78 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 3fy1 n PRO 176 Cb 0.60 -2.39 0.07 0.00 -0.02 0.00 0.00 33.50 31.76 3fy1 n PRO 176 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3fy1 s ARG 177 N -1.87 2.46 0.58 -0.52 1.70 -1.26 -4.92 118.95 115.13 3fy1 s ARG 177 Ca 0.55 1.51 -0.19 0.00 -0.47 0.00 0.00 55.73 57.13 3fy1 s ARG 177 Cb -0.55 -1.90 -0.04 0.00 -0.57 0.00 0.00 34.95 31.89 3fy1 s ARG 177 CO 0.62 -1.53 1.21 -0.51 -1.08 0.00 0.00 175.30 174.01 3fy1 s LEU 178 N -5.11 3.70 0.32 -1.89 1.43 -1.26 -5.00 118.68 110.87 3fy1 s LEU 178 Ca 0.69 2.41 -0.13 0.00 -1.03 0.00 0.00 54.13 56.07 3fy1 s LEU 178 Cb -0.23 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.35 3fy1 s LEU 178 CO 0.44 -1.56 0.70 -0.04 0.23 0.00 0.00 176.35 176.13 3fy1 s MET 179 N -3.27 3.91 -0.13 1.70 -1.94 0.44 -4.91 119.30 115.10 3fy1 s MET 179 Ca 0.76 0.53 0.00 0.00 -1.71 0.00 0.00 55.69 55.28 3fy1 s MET 179 Cb -0.31 -2.47 0.02 0.00 2.01 0.00 0.00 34.83 34.09 3fy1 s MET 179 CO 0.34 0.14 -0.12 0.54 -0.01 0.00 0.00 175.02 175.92 3fy1 s VAL 180 N -2.04 1.34 0.37 -6.03 0.11 -1.26 -0.96 120.40 111.93 3fy1 s VAL 180 Ca 0.52 -0.49 0.04 0.00 -2.93 0.00 0.00 61.98 59.12 3fy1 s VAL 180 Cb -0.10 -1.29 -0.05 0.00 -1.53 0.00 0.00 36.38 33.41 3fy1 s VAL 180 CO 0.21 0.42 0.07 0.42 -3.33 0.00 0.00 175.10 172.89 3fy1 s THR 181 N 1.52 1.06 -0.12 5.04 -4.23 -0.04 -0.12 115.64 118.75 3fy1 s THR 181 Ca 0.04 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.44 3fy1 s THR 181 Cb -0.13 -2.61 0.03 0.00 1.34 0.00 0.00 72.50 71.13 3fy1 s THR 181 CO -0.09 0.00 0.33 0.00 -0.54 0.00 0.00 174.62 174.32 3fy1 s ALA 182 N -3.20 -0.81 -0.08 3.99 0.00 -1.01 -0.79 121.76 119.86 3fy1 s ALA 182 Ca 0.30 0.94 -0.22 0.00 0.00 0.00 0.00 51.96 52.98 3fy1 s ALA 182 Cb 0.06 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 3fy1 s ALA 182 CO 0.14 -0.16 0.65 0.00 0.00 0.00 0.00 175.76 176.39 3fy1 s ALA 183 N 0.23 3.37 0.14 0.00 0.00 0.39 -0.22 121.76 125.67 3fy1 s ALA 183 Ca -0.00 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.07 3fy1 s ALA 183 Cb -0.03 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 3fy1 s ALA 183 CO -0.00 -0.07 -0.11 0.14 0.00 0.00 0.00 175.76 175.72 3fy1 s VAL 184 N 0.74 1.20 0.60 0.00 -7.23 -0.11 -4.56 120.40 111.03 3fy1 s VAL 184 Ca 0.35 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.37 3fy1 s VAL 184 Cb -0.17 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 3fy1 s VAL 184 CO 0.16 -0.66 1.23 0.00 -0.31 0.00 0.00 175.10 175.53 3fy1 s ALA 185 N -2.99 2.53 -0.07 1.32 0.00 -1.26 -1.51 121.76 119.79 3fy1 s ALA 185 Ca 0.14 1.07 0.16 0.00 0.00 0.00 0.00 51.96 53.34 3fy1 s ALA 185 Cb 0.00 -3.48 -0.25 0.00 0.00 0.00 0.00 23.12 19.40 3fy1 s ALA 185 CO 0.01 -1.25 0.38 0.00 0.00 0.00 0.00 175.76 174.89 3fy1 n ALA 186 N -1.60 2.70 -2.38 0.00 0.00 -1.26 -4.65 120.51 113.32 3fy1 n ALA 186 Ca 0.14 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 3fy1 n ALA 186 Cb 0.49 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 3fy1 n ALA 186 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3fy1 s GLY 187 N -3.77 2.25 0.17 0.00 0.00 -1.26 -4.90 107.32 99.81 3fy1 s GLY 187 Ca -0.05 0.84 -0.13 0.00 0.00 0.00 0.00 44.72 45.39 3fy1 s GLY 187 CO 0.67 2.15 1.77 -2.22 0.00 0.00 0.00 173.10 175.47 3fy1 h ILE 188 N 4.61 1.20 -0.38 0.90 1.08 -1.93 0.06 117.51 123.05 3fy1 h ILE 188 Ca -0.40 -0.56 0.04 0.00 -0.39 0.00 0.00 64.86 63.55 3fy1 h ILE 188 Cb 1.20 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 3fy1 h ILE 188 CO 0.84 0.23 0.15 -1.28 -0.69 0.00 0.00 178.15 177.39 3fy1 h SER 189 N 0.79 0.17 -0.70 1.72 0.87 -1.99 -0.55 113.55 113.86 3fy1 h SER 189 Ca 0.20 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3fy1 h SER 189 Cb 0.10 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 3fy1 h SER 189 CO -0.03 0.14 0.31 0.78 -0.53 0.00 0.00 176.83 177.50 3fy1 h ASN 190 N 0.31 0.96 -0.14 6.23 2.35 -1.80 -1.88 115.58 121.61 3fy1 h ASN 190 Ca 0.17 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3fy1 h ASN 190 Cb 0.14 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3fy1 h ASN 190 CO -0.16 0.84 0.02 0.40 -1.65 0.00 0.00 177.43 176.88 3fy1 h ILE 191 N 1.04 1.22 -0.91 2.81 2.04 -0.59 -1.08 117.51 122.04 3fy1 h ILE 191 Ca 0.25 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3fy1 h ILE 191 Cb 0.16 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 3fy1 h ILE 191 CO -0.03 0.21 0.59 1.56 0.00 0.00 0.00 178.15 180.48 3fy1 h GLN 192 N 0.01 1.22 -0.00 2.37 4.20 -0.94 -2.22 115.11 119.75 3fy1 h GLN 192 Ca 0.04 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3fy1 h GLN 192 Cb 0.30 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3fy1 h GLN 192 CO 0.00 0.82 -0.30 -1.13 -0.67 0.00 0.00 178.83 177.55 3fy1 n SER 193 N -4.42 0.56 -0.09 1.46 3.41 -0.72 -4.44 113.62 109.36 3fy1 n SER 193 Ca 0.10 -0.37 -0.11 0.00 -0.26 0.00 0.00 58.87 58.23 3fy1 n SER 193 Cb 0.03 0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 3fy1 n SER 193 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fy1 n GLY 194 N 1.42 -0.59 2.95 5.00 0.00 -0.41 -4.18 105.19 109.38 3fy1 n GLY 194 Ca 0.09 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 3fy1 n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fy1 s TYR 195 N -2.42 0.71 -1.04 1.61 1.51 -0.87 -4.44 117.35 112.41 3fy1 s TYR 195 Ca -0.18 -0.17 -0.17 0.00 -1.01 0.00 0.00 57.07 55.55 3fy1 s TYR 195 Cb 0.06 -0.55 0.15 0.00 -0.11 0.00 0.00 41.96 41.51 3fy1 s TYR 195 CO 0.60 -0.10 1.25 -1.21 -1.11 0.00 0.00 175.55 174.98 3fy1 s GLU 196 N 0.37 3.81 0.09 -0.62 2.02 -1.26 -4.84 118.70 118.26 3fy1 s GLU 196 Ca -0.05 -2.12 -0.23 0.00 0.02 0.00 0.00 54.97 52.59 3fy1 s GLU 196 Cb -0.09 -4.97 -0.14 0.00 0.10 0.00 0.00 34.13 29.03 3fy1 s GLU 196 CO 0.00 -1.76 1.73 0.82 0.02 0.00 0.00 175.26 176.07 3fy1 h ILE 197 N 5.32 0.96 -0.62 -1.63 2.04 -1.95 0.81 117.51 122.44 3fy1 h ILE 197 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.09 3fy1 h ILE 197 Cb 0.96 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3fy1 h ILE 197 CO 1.16 0.00 0.40 -0.65 0.00 0.00 0.00 178.15 179.06 3fy1 h PRO 198 N -0.03 0.82 -0.14 2.37 0.11 -1.77 -0.21 132.00 133.15 3fy1 h PRO 198 Ca 0.01 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 3fy1 h PRO 198 Cb 0.04 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.96 3fy1 h PRO 198 CO -0.01 0.55 -0.07 1.96 -0.21 0.00 0.00 178.00 180.21 3fy1 h GLN 199 N 0.84 0.30 -0.68 1.05 7.50 -1.85 -3.00 115.11 119.28 3fy1 h GLN 199 Ca 0.23 -0.13 0.01 0.00 0.50 0.00 0.00 58.65 59.25 3fy1 h GLN 199 Cb -0.08 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.41 3fy1 h GLN 199 CO -0.05 0.63 0.45 1.25 -1.50 0.00 0.00 178.83 179.61 3fy1 h LEU 200 N -0.04 0.78 -1.91 1.46 5.85 -0.78 -2.87 115.31 117.80 3fy1 h LEU 200 Ca 0.03 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3fy1 h LEU 200 Cb 0.55 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 3fy1 h LEU 200 CO 0.02 0.57 -0.11 0.28 -0.34 0.00 0.00 178.44 178.86 3fy1 h SER 201 N 0.92 0.00 -0.83 1.25 0.02 -0.97 -2.22 113.55 111.73 3fy1 h SER 201 Ca 0.25 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 3fy1 h SER 201 Cb -0.10 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 3fy1 h SER 201 CO -0.05 0.11 0.54 1.56 -1.14 0.00 0.00 176.83 177.85 3fy1 h GLN 202 N 0.00 0.92 0.00 3.45 4.20 -1.36 -3.28 115.11 119.04 3fy1 h GLN 202 Ca -0.00 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 3fy1 h GLN 202 Cb 0.23 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 3fy1 h GLN 202 CO 0.01 0.61 -2.12 0.66 -0.67 0.00 0.00 178.83 177.32 3fy1 n TYR 203 N -4.47 0.00 -2.62 2.96 4.02 -0.86 -4.93 117.16 111.25 3fy1 n TYR 203 Ca 0.12 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.62 3fy1 n TYR 203 Cb 0.18 -0.67 -0.05 0.00 -0.02 0.00 0.00 39.34 38.78 3fy1 n TYR 203 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3fy1 s LEU 204 N -4.85 4.46 0.03 7.72 1.43 -1.02 -4.84 118.68 121.61 3fy1 s LEU 204 Ca -0.09 2.06 -0.17 0.00 -1.03 0.00 0.00 54.13 54.91 3fy1 s LEU 204 Cb 0.11 -3.80 -0.30 0.00 0.03 0.00 0.00 46.19 42.23 3fy1 s LEU 204 CO 0.86 -0.11 1.06 0.44 0.23 0.00 0.00 176.35 178.83 3fy1 h ASP 205 N 3.53 0.78 -5.06 2.29 3.32 -0.84 -3.47 116.42 116.97 3fy1 h ASP 205 Ca -0.47 -0.85 -0.13 0.00 0.02 0.00 0.00 57.03 55.61 3fy1 h ASP 205 Cb 1.21 -0.25 -0.18 0.00 0.22 0.00 0.00 39.33 40.32 3fy1 h ASP 205 CO 0.66 1.55 -0.52 -0.31 -1.72 0.00 0.00 179.24 178.90 3fy1 s TYR 206 N -2.88 0.16 -0.26 4.55 1.51 -1.26 -4.80 117.35 114.37 3fy1 s TYR 206 Ca -0.10 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 3fy1 s TYR 206 Cb 0.04 -0.12 0.06 0.00 -0.11 0.00 0.00 41.96 41.84 3fy1 s TYR 206 CO 0.91 -0.35 -0.08 0.42 -1.11 0.00 0.00 175.55 175.34 3fy1 s ILE 207 N -2.30 2.03 -0.74 2.71 1.01 -0.14 -2.41 121.20 121.37 3fy1 s ILE 207 Ca -0.08 -1.61 -0.19 0.00 0.00 0.00 0.00 60.65 58.78 3fy1 s ILE 207 Cb -0.03 -2.21 0.12 0.00 0.01 0.00 0.00 42.46 40.36 3fy1 s ILE 207 CO -0.03 -0.10 0.88 -1.00 0.00 0.00 0.00 174.94 174.69 3fy1 s HIS 208 N 1.15 3.08 -0.18 3.97 3.76 0.69 -0.60 115.29 127.17 3fy1 s HIS 208 Ca -0.07 -1.16 -0.27 0.00 -0.15 0.00 0.00 55.06 53.41 3fy1 s HIS 208 Cb -0.20 -4.12 -0.01 0.00 1.11 0.00 0.00 32.58 29.37 3fy1 s HIS 208 CO -0.06 -1.37 0.91 0.08 -0.85 0.00 0.00 174.74 173.45 3fy1 s VAL 209 N 2.57 4.81 -1.41 -0.90 1.01 -0.42 -0.94 120.40 125.13 3fy1 s VAL 209 Ca 0.20 1.79 -0.12 0.00 0.00 0.00 0.00 61.98 63.85 3fy1 s VAL 209 Cb -0.15 -4.21 0.08 0.00 0.00 0.00 0.00 36.38 32.10 3fy1 s VAL 209 CO 0.00 -0.03 2.17 0.23 0.00 0.00 0.00 175.10 177.47 3fy1 n MET 210 N 5.52 3.23 -1.29 2.72 2.81 -0.57 -1.72 117.12 127.82 3fy1 n MET 210 Ca 0.07 -2.91 -0.38 0.00 -1.81 0.00 0.00 57.70 52.67 3fy1 n MET 210 Cb 0.48 -3.11 -0.03 0.00 -0.71 0.00 0.00 33.22 29.85 3fy1 n MET 210 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3fy1 n THR 211 N 4.27 4.21 -3.48 2.03 -2.24 -1.26 -4.24 114.28 113.57 3fy1 n THR 211 Ca 0.50 -2.53 -0.05 0.00 -2.27 0.00 0.00 64.05 59.70 3fy1 n THR 211 Cb 0.36 -2.59 0.01 0.00 -2.10 0.00 0.00 70.33 66.01 3fy1 n THR 211 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fy1 n TYR 212 N 3.68 -1.51 -3.68 4.78 0.18 -1.26 -4.66 117.16 114.69 3fy1 n TYR 212 Ca 0.76 -0.96 -0.28 0.00 1.88 0.00 0.00 57.90 59.31 3fy1 n TYR 212 Cb 0.23 0.41 -0.00 0.00 -0.38 0.00 0.00 39.34 39.60 3fy1 n TYR 212 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 3fy1 n ASP 213 N -1.39 -3.98 0.15 9.48 8.00 -0.97 -4.86 116.55 122.98 3fy1 n ASP 213 Ca -0.03 -0.62 0.12 0.00 0.71 0.00 0.00 54.79 54.97 3fy1 n ASP 213 Cb 0.29 -3.25 0.25 0.00 -0.02 0.00 0.00 41.12 38.39 3fy1 n ASP 213 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fy1 h LEU 214 N -1.36 0.00 -8.16 0.64 3.38 -1.49 -3.45 115.31 104.87 3fy1 h LEU 214 Ca -0.50 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.32 3fy1 h LEU 214 Cb 1.33 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.92 3fy1 h LEU 214 CO 0.62 0.01 -0.66 -1.00 0.09 0.00 0.00 178.44 177.51 3fy1 s HIS 215 N -3.17 0.45 0.06 1.13 3.76 -1.13 -4.96 115.29 111.42 3fy1 s HIS 215 Ca 0.08 -0.94 -0.27 0.00 -0.15 0.00 0.00 55.06 53.78 3fy1 s HIS 215 Cb 0.09 -0.33 0.09 0.00 1.11 0.00 0.00 32.58 33.54 3fy1 s HIS 215 CO 0.65 -0.36 1.19 0.20 -0.85 0.00 0.00 174.74 175.56 3fy1 s GLY 216 N -2.69 -0.15 0.63 -2.22 0.00 -1.26 -4.63 107.32 96.99 3fy1 s GLY 216 Ca 0.03 0.13 0.36 0.00 0.00 0.00 0.00 44.72 45.24 3fy1 s GLY 216 CO -0.09 2.63 2.27 1.48 0.00 0.00 0.00 173.10 179.39 3fy1 h SER 217 N 2.00 0.00 -0.00 1.64 4.64 -1.84 -1.74 113.55 118.24 3fy1 h SER 217 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3fy1 h SER 217 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3fy1 h SER 217 CO 0.31 0.00 0.10 4.11 -0.87 0.00 0.00 176.83 180.48 3fy1 h TRP 218 N 0.00 0.00 0.00 4.77 0.09 -1.94 -1.34 115.95 117.53 3fy1 h TRP 218 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.99 3fy1 h TRP 218 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.34 3fy1 h TRP 218 CO 0.00 0.00 -0.47 0.93 0.09 0.00 0.00 178.44 178.99 3fy1 h GLU 219 N 0.00 0.00 0.00 0.12 5.08 -1.74 -3.48 114.58 114.56 3fy1 h GLU 219 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fy1 h GLU 219 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3fy1 h GLU 219 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3fy1 n GLY 220 N 1.23 0.59 3.09 -3.84 0.00 -0.51 -5.02 105.19 100.73 3fy1 n GLY 220 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 3fy1 n GLY 220 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fy1 s TYR 221 N -2.28 0.11 0.49 1.61 1.51 -1.26 -0.84 117.35 116.69 3fy1 s TYR 221 Ca 0.00 -0.27 -0.23 0.00 -1.01 0.00 0.00 57.07 55.56 3fy1 s TYR 221 Cb 0.00 -0.09 -0.06 0.00 -0.11 0.00 0.00 41.96 41.70 3fy1 s TYR 221 CO 0.00 -0.29 1.31 0.95 -1.11 0.00 0.00 175.55 176.41 3fy1 s THR 222 N -1.64 2.41 0.04 -0.71 -4.23 0.35 -4.72 115.64 107.15 3fy1 s THR 222 Ca -0.13 0.33 -0.27 0.00 -1.18 0.00 0.00 61.69 60.44 3fy1 s THR 222 Cb -0.07 -3.17 0.09 0.00 1.34 0.00 0.00 72.50 70.69 3fy1 s THR 222 CO -0.00 0.01 0.80 -0.83 -0.54 0.00 0.00 174.62 174.06 3fy1 s GLY 223 N -0.96 -0.51 0.34 3.99 0.00 -1.26 -1.73 107.32 107.19 3fy1 s GLY 223 Ca 0.66 0.87 -0.19 0.00 0.00 0.00 0.00 44.72 46.07 3fy1 s GLY 223 CO 0.46 0.30 0.82 -0.54 0.00 0.00 0.00 173.10 174.14 3fy1 s GLU 224 N -3.26 4.17 -0.02 2.90 0.41 -1.26 -4.60 118.70 117.03 3fy1 s GLU 224 Ca 0.04 0.90 -0.24 0.00 -0.41 0.00 0.00 54.97 55.26 3fy1 s GLU 224 Cb -0.01 -2.45 -0.17 0.00 -1.78 0.00 0.00 34.13 29.71 3fy1 s GLU 224 CO -0.10 0.15 1.13 -0.97 -0.49 0.00 0.00 175.26 174.98 3fy1 h ASN 225 N 2.41 -0.18 -2.06 -0.19 -1.24 -1.82 -3.00 115.58 109.50 3fy1 h ASN 225 Ca -0.48 -0.33 -0.52 0.00 0.71 0.00 0.00 56.30 55.68 3fy1 h ASN 225 Cb 1.18 0.05 -0.40 0.00 0.73 0.00 0.00 38.32 39.87 3fy1 h ASN 225 CO 0.64 0.28 -1.06 -0.24 -1.29 0.00 0.00 177.43 175.76 3fy1 n SER 226 N -4.97 1.48 -4.76 1.15 2.88 -1.26 -1.60 113.62 106.53 3fy1 n SER 226 Ca -0.09 -3.09 -0.41 0.00 -1.33 0.00 0.00 58.87 53.95 3fy1 n SER 226 Cb 0.26 -0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 63.08 3fy1 n SER 226 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3fy1 s PRO 227 N -2.41 4.37 0.08 -1.46 0.04 -1.26 -4.82 135.00 129.53 3fy1 s PRO 227 Ca 0.41 2.16 -0.18 0.00 0.04 0.00 0.00 61.00 63.43 3fy1 s PRO 227 Cb 0.30 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.62 3fy1 s PRO 227 CO -0.09 -0.22 1.44 1.25 0.04 0.00 0.00 177.00 179.42 3fy1 h LEU 228 N 4.26 0.51 -9.73 -3.56 5.85 -1.56 0.74 115.31 111.82 3fy1 h LEU 228 Ca -0.47 -0.41 -0.62 0.00 0.84 0.00 0.00 57.88 57.22 3fy1 h LEU 228 Cb 1.22 -0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.98 3fy1 h LEU 228 CO 0.71 0.81 -0.55 -0.31 -0.34 0.00 0.00 178.44 178.76 3fy1 s TYR 229 N -4.60 2.06 0.52 1.25 2.02 -1.26 -1.08 117.35 116.27 3fy1 s TYR 229 Ca -0.13 -0.92 -0.19 0.00 -0.37 0.00 0.00 57.07 55.45 3fy1 s TYR 229 Cb 0.07 -1.55 -0.07 0.00 -0.40 0.00 0.00 41.96 40.01 3fy1 s TYR 229 CO 0.77 0.19 1.07 -1.59 -1.57 0.00 0.00 175.55 174.42 3fy1 s LYS 230 N -3.80 3.59 0.36 -0.62 -2.85 -1.26 -4.55 119.74 110.60 3fy1 s LYS 230 Ca 0.21 1.42 -0.25 0.00 -1.00 0.00 0.00 55.97 56.35 3fy1 s LYS 230 Cb 0.05 -2.06 -0.10 0.00 -2.06 0.00 0.00 37.83 33.67 3fy1 s LYS 230 CO 0.11 -0.62 0.99 -0.47 0.10 0.00 0.00 175.35 175.46 3fy1 s TYR 231 N -1.99 3.48 0.56 1.78 5.04 -1.26 -4.50 117.35 120.47 3fy1 s TYR 231 Ca 0.68 1.71 0.27 0.00 -2.44 0.00 0.00 57.07 57.29 3fy1 s TYR 231 Cb -0.19 -3.02 1.48 0.00 0.35 0.00 0.00 41.96 40.59 3fy1 s TYR 231 CO 0.24 -0.20 1.98 -1.00 -1.34 0.00 0.00 175.55 175.24 3fy1 h PRO 232 N 2.80 0.00 -0.00 4.97 0.13 -1.96 0.00 132.00 137.94 3fy1 h PRO 232 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3fy1 h PRO 232 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3fy1 h PRO 232 CO 0.64 0.00 -0.09 0.25 -0.23 0.00 0.00 178.00 178.56 3fy1 n THR 233 N -4.06 0.00 -2.18 1.56 -2.24 -1.26 -4.79 114.28 101.32 3fy1 n THR 233 Ca 0.08 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 3fy1 n THR 233 Cb 0.58 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 3fy1 n THR 233 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3fy1 s ASP 234 N -2.49 5.86 0.39 3.42 -0.00 -0.01 -4.99 116.67 118.85 3fy1 s ASP 234 Ca 0.29 0.67 0.05 0.00 -0.00 0.00 0.00 52.55 53.56 3fy1 s ASP 234 Cb 0.20 -2.53 -0.06 0.00 -0.00 0.00 0.00 42.92 40.52 3fy1 s ASP 234 CO 0.47 -1.85 0.03 0.42 -0.00 0.00 0.00 175.17 174.25 3fy1 s THR 235 N 7.02 1.53 0.00 -1.27 -4.23 -1.26 -4.23 115.64 113.19 3fy1 s THR 235 Ca 0.66 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3fy1 s THR 235 Cb -0.15 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.90 3fy1 s THR 235 CO 0.27 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 3fy1 n GLY 236 N -0.90 2.90 0.26 3.99 0.00 -1.26 -2.04 105.19 108.13 3fy1 n GLY 236 Ca -0.06 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.86 3fy1 n GLY 236 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fy1 h SER 237 N 4.21 0.00 0.08 1.61 4.64 -2.03 -2.04 113.55 120.03 3fy1 h SER 237 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3fy1 h SER 237 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3fy1 h SER 237 CO 0.00 0.13 -0.04 0.78 -0.87 0.00 0.00 176.83 176.84 3fy1 h ASN 238 N 0.00 0.00 0.32 4.97 2.35 -1.77 -2.39 115.58 119.06 3fy1 h ASN 238 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fy1 h ASN 238 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3fy1 h ASN 238 CO 0.02 0.04 0.00 0.00 -1.65 0.00 0.00 177.43 175.83 3fy1 n ALA 239 N -2.34 1.42 1.02 -0.83 0.00 -0.77 -2.02 120.51 116.99 3fy1 n ALA 239 Ca -0.03 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3fy1 n ALA 239 Cb 0.12 -1.15 0.12 0.00 0.00 0.00 0.00 19.45 18.54 3fy1 n ALA 239 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fy1 n TYR 240 N -1.50 0.00 -1.69 0.00 4.01 -0.90 -4.68 117.16 112.40 3fy1 n TYR 240 Ca 0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.36 3fy1 n TYR 240 Cb 0.11 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 38.98 3fy1 n TYR 240 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3fy1 n LEU 241 N -1.36 8.26 -3.60 7.72 4.77 -0.86 -4.41 117.00 127.52 3fy1 n LEU 241 Ca 0.06 -4.62 -0.13 0.00 -0.03 0.00 0.00 56.01 51.29 3fy1 n LEU 241 Cb 0.34 -1.47 -0.05 0.00 -2.33 0.00 0.00 43.42 39.91 3fy1 n LEU 241 CO 0.37 2.00 0.24 0.54 -1.33 0.00 0.00 177.39 179.20 3fy1 s ASN 242 N 1.32 -0.38 0.16 -1.43 2.20 -1.26 -4.74 114.94 110.80 3fy1 s ASN 242 Ca 0.60 0.05 -0.16 0.00 -0.94 0.00 0.00 52.86 52.40 3fy1 s ASN 242 Cb 0.18 0.48 0.07 0.00 -2.00 0.00 0.00 41.25 39.97 3fy1 s ASN 242 CO -0.07 -0.74 1.73 0.58 -2.94 0.00 0.00 177.10 175.65 3fy1 h VAL 243 N 2.73 0.82 -0.04 3.54 2.07 -0.76 -2.35 116.25 122.26 3fy1 h VAL 243 Ca -0.32 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.16 3fy1 h VAL 243 Cb 1.22 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3fy1 h VAL 243 CO 0.42 0.03 -0.07 -0.78 0.02 0.00 0.00 177.57 177.20 3fy1 h ASP 244 N 0.18 -0.20 -0.53 0.57 3.58 -1.35 -0.90 116.42 117.77 3fy1 h ASP 244 Ca 0.17 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.66 3fy1 h ASP 244 Cb 0.19 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 3fy1 h ASP 244 CO -0.22 -0.10 0.35 0.22 -2.88 0.00 0.00 179.24 176.60 3fy1 h TYR 245 N -0.10 0.65 -0.15 0.28 3.20 -1.77 -2.39 116.97 116.69 3fy1 h TYR 245 Ca 0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3fy1 h TYR 245 Cb 0.16 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3fy1 h TYR 245 CO -0.16 0.41 0.02 0.28 -1.64 0.00 0.00 178.16 177.07 3fy1 h VAL 246 N 0.70 1.23 -0.75 1.81 2.07 -1.11 0.26 116.25 120.47 3fy1 h VAL 246 Ca 0.20 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3fy1 h VAL 246 Cb -0.07 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3fy1 h VAL 246 CO -0.05 0.22 0.39 0.24 0.02 0.00 0.00 177.57 178.39 3fy1 h MET 247 N 0.03 1.06 -0.02 1.57 2.86 -1.17 -1.97 114.93 117.30 3fy1 h MET 247 Ca 0.05 -0.14 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 3fy1 h MET 247 Cb 0.32 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3fy1 h MET 247 CO 0.00 0.81 -0.42 -0.91 1.06 0.00 0.00 176.91 177.45 3fy1 h ASN 248 N 1.05 0.04 -0.21 1.22 2.35 -1.32 -1.89 115.58 116.82 3fy1 h ASN 248 Ca 0.26 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3fy1 h ASN 248 Cb 0.07 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3fy1 h ASN 248 CO -0.04 0.46 0.08 0.22 -1.65 0.00 0.00 177.43 176.50 3fy1 h TYR 249 N 0.04 0.32 -0.47 1.19 3.20 -0.35 0.59 116.97 121.48 3fy1 h TYR 249 Ca 0.00 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 3fy1 h TYR 249 Cb 0.76 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3fy1 h TYR 249 CO 0.00 0.37 0.28 -1.49 -1.64 0.00 0.00 178.16 175.68 3fy1 h TRP 250 N 0.17 0.62 0.20 -3.82 4.06 -1.19 -1.53 115.95 114.47 3fy1 h TRP 250 Ca 0.07 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 3fy1 h TRP 250 Cb 0.19 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 3fy1 h TRP 250 CO -0.01 0.44 -0.10 -0.22 -3.56 0.00 0.00 178.44 174.99 3fy1 h LYS 251 N 0.62 -0.26 -0.12 0.49 3.64 -1.25 -1.70 116.57 117.99 3fy1 h LYS 251 Ca 0.17 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3fy1 h LYS 251 Cb 0.00 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3fy1 h LYS 251 CO -0.03 -0.09 0.02 -0.44 -2.27 0.00 0.00 179.45 176.64 3fy1 h ASP 252 N -0.38 0.15 -0.62 4.20 3.32 -0.82 -2.71 116.42 119.56 3fy1 h ASP 252 Ca -0.03 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3fy1 h ASP 252 Cb 0.29 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3fy1 h ASP 252 CO 0.05 0.16 0.00 0.59 -1.72 0.00 0.00 179.24 178.32 3fy1 n ASN 253 N -4.46 4.89 0.00 6.45 3.02 -0.58 -4.92 115.26 119.66 3fy1 n ASN 253 Ca -0.01 -2.54 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 3fy1 n ASN 253 Cb 0.13 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 3fy1 n ASN 253 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fy1 n GLY 254 N 1.02 0.80 3.65 7.41 0.00 -1.02 -3.67 105.19 113.37 3fy1 n GLY 254 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 3fy1 n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy1 s ALA 255 N -0.83 3.57 0.25 4.61 0.00 -0.67 -4.43 121.76 124.27 3fy1 s ALA 255 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.39 3fy1 s ALA 255 Cb 0.00 -3.05 -0.12 0.00 0.00 0.00 0.00 23.12 19.94 3fy1 s ALA 255 CO 0.00 -0.67 1.55 -2.30 0.00 0.00 0.00 175.76 174.34 3fy1 n PRO 256 N 5.34 2.43 -0.32 0.00 -0.02 -1.26 -4.16 135.00 137.01 3fy1 n PRO 256 Ca 0.00 0.87 0.12 0.00 -2.02 0.00 0.00 63.50 62.47 3fy1 n PRO 256 Cb 0.49 -2.62 0.30 0.00 -0.02 0.00 0.00 33.50 31.65 3fy1 n PRO 256 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fy1 h ALA 257 N 4.94 1.51 0.00 3.55 0.00 -1.92 -1.14 119.26 126.19 3fy1 h ALA 257 Ca -0.46 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3fy1 h ALA 257 Cb 1.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3fy1 h ALA 257 CO 0.81 -0.17 -0.07 1.05 0.00 0.00 0.00 179.25 180.87 3fy1 h GLU 258 N 0.60 0.00 0.00 0.00 9.09 -1.89 -1.82 114.58 120.57 3fy1 h GLU 258 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.96 3fy1 h GLU 258 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 3fy1 h GLU 258 CO -0.43 0.07 -0.81 1.63 0.05 0.00 0.00 179.01 179.52 3fy1 n LYS 259 N -3.45 0.25 -2.87 1.06 5.02 -0.45 -3.92 118.16 113.79 3fy1 n LYS 259 Ca -0.02 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 3fy1 n LYS 259 Cb 0.21 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.56 3fy1 n LYS 259 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fy1 s LEU 260 N -3.92 4.28 -0.18 -0.35 1.43 -0.77 -0.97 118.68 118.21 3fy1 s LEU 260 Ca 0.06 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 3fy1 s LEU 260 Cb 0.14 -3.31 0.01 0.00 0.03 0.00 0.00 46.19 43.07 3fy1 s LEU 260 CO 0.76 -0.27 -0.18 -0.63 0.23 0.00 0.00 176.35 176.26 3fy1 s ILE 261 N 1.36 2.27 0.13 -0.59 -1.09 0.24 -0.86 121.20 122.66 3fy1 s ILE 261 Ca 0.43 -0.88 -0.30 0.00 -2.23 0.00 0.00 60.65 57.67 3fy1 s ILE 261 Cb -0.18 -1.96 -0.07 0.00 -1.58 0.00 0.00 42.46 38.67 3fy1 s ILE 261 CO 0.19 0.53 1.10 -0.69 -1.23 0.00 0.00 174.94 174.84 3fy1 s VAL 262 N 1.20 4.05 -0.09 2.92 1.01 -0.53 -1.30 120.40 127.66 3fy1 s VAL 262 Ca 0.02 1.66 -0.25 0.00 0.00 0.00 0.00 61.98 63.41 3fy1 s VAL 262 Cb -0.14 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 3fy1 s VAL 262 CO -0.09 0.23 0.80 -0.83 0.00 0.00 0.00 175.10 175.21 3fy1 s GLY 263 N 0.28 2.49 -0.18 4.51 0.00 -0.70 -0.25 107.32 113.47 3fy1 s GLY 263 Ca 0.52 0.18 0.01 0.00 0.00 0.00 0.00 44.72 45.42 3fy1 s GLY 263 CO 0.32 1.46 -0.17 -1.36 0.00 0.00 0.00 173.10 173.36 3fy1 s PHE 264 N 1.34 2.63 -0.14 1.90 0.40 0.34 -4.39 117.98 120.06 3fy1 s PHE 264 Ca 0.41 -1.58 -0.19 0.00 -0.60 0.00 0.00 56.93 54.97 3fy1 s PHE 264 Cb -0.18 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 3fy1 s PHE 264 CO 0.18 -0.77 0.51 -1.25 0.70 0.00 0.00 175.22 174.59 3fy1 s PRO 265 N 1.34 4.30 -0.49 0.24 0.04 -1.26 -1.46 135.00 137.70 3fy1 s PRO 265 Ca 0.03 0.48 -0.00 0.00 0.04 0.00 0.00 61.00 61.55 3fy1 s PRO 265 Cb -0.14 -3.48 0.43 0.00 0.04 0.00 0.00 34.50 31.35 3fy1 s PRO 265 CO -0.11 0.05 1.95 0.25 0.04 0.00 0.00 177.00 179.17 3fy1 n THR 266 N 3.96 3.18 -3.90 1.26 -2.24 -0.09 -4.65 114.28 111.80 3fy1 n THR 266 Ca -0.06 -2.21 -0.09 0.00 -2.27 0.00 0.00 64.05 59.42 3fy1 n THR 266 Cb 0.51 -1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 67.67 3fy1 n THR 266 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3fy1 s TYR 267 N -3.01 0.26 0.31 4.78 -0.85 -1.26 -1.46 117.35 116.11 3fy1 s TYR 267 Ca 0.51 -0.62 0.04 0.00 -0.52 0.00 0.00 57.07 56.48 3fy1 s TYR 267 Cb 0.41 0.05 -0.06 0.00 0.38 0.00 0.00 41.96 42.74 3fy1 s TYR 267 CO 0.02 -0.76 0.03 0.20 -1.52 0.00 0.00 175.55 173.52 3fy1 s GLY 268 N -2.94 1.97 -0.14 5.49 0.00 0.28 -4.50 107.32 107.48 3fy1 s GLY 268 Ca 0.15 -2.00 -0.08 0.00 0.00 0.00 0.00 44.72 42.79 3fy1 s GLY 268 CO -0.01 -1.80 0.13 0.30 0.00 0.00 0.00 173.10 171.71 3fy1 s HIS 269 N -3.26 3.51 0.32 1.90 3.76 -0.61 -1.80 115.29 119.12 3fy1 s HIS 269 Ca 0.34 0.44 0.09 0.00 -0.15 0.00 0.00 55.06 55.79 3fy1 s HIS 269 Cb 0.08 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.72 3fy1 s HIS 269 CO 0.14 0.58 -0.01 0.54 -0.85 0.00 0.00 174.74 175.14 3fy1 s ASN 270 N -0.59 4.19 0.02 1.40 2.20 -0.57 -1.12 114.94 120.47 3fy1 s ASN 270 Ca 0.13 -0.93 -0.06 0.00 -0.94 0.00 0.00 52.86 51.05 3fy1 s ASN 270 Cb -0.12 -0.57 -0.00 0.00 -2.00 0.00 0.00 41.25 38.56 3fy1 s ASN 270 CO 0.02 -0.17 0.12 -0.36 -2.94 0.00 0.00 177.10 173.77 3fy1 s PHE 271 N -2.48 0.11 -0.35 1.54 0.40 0.46 -1.48 117.98 116.19 3fy1 s PHE 271 Ca 0.34 -0.30 -0.18 0.00 -0.60 0.00 0.00 56.93 56.19 3fy1 s PHE 271 Cb -0.02 -0.09 -0.00 0.00 0.51 0.00 0.00 43.02 43.42 3fy1 s PHE 271 CO 0.19 -0.32 0.52 0.42 0.70 0.00 0.00 175.22 176.73 3fy1 s ILE 272 N -1.88 5.01 0.23 0.64 -1.09 -0.20 -2.03 121.20 121.89 3fy1 s ILE 272 Ca -0.11 0.37 -0.30 0.00 -2.23 0.00 0.00 60.65 58.38 3fy1 s ILE 272 Cb -0.05 -3.96 -0.09 0.00 -1.58 0.00 0.00 42.46 36.77 3fy1 s ILE 272 CO -0.01 -0.21 1.33 -0.76 -1.23 0.00 0.00 174.94 174.06 3fy1 s LEU 273 N 2.40 4.42 0.37 2.97 1.43 0.71 -0.54 118.68 130.44 3fy1 s LEU 273 Ca 0.19 2.49 0.17 0.00 -1.03 0.00 0.00 54.13 55.95 3fy1 s LEU 273 Cb -0.15 -3.62 0.68 0.00 0.03 0.00 0.00 46.19 43.12 3fy1 s LEU 273 CO 0.13 -0.55 1.74 0.28 0.23 0.00 0.00 176.35 178.19 3fy1 h SER 274 N 4.97 0.00 -2.63 2.29 0.02 -1.43 -3.42 113.55 113.36 3fy1 h SER 274 Ca -0.46 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.21 3fy1 h SER 274 Cb 1.22 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.41 3fy1 h SER 274 CO 0.75 0.40 -0.60 0.21 -1.14 0.00 0.00 176.83 176.45 3fy1 s ASN 275 N -6.54 1.02 0.65 3.07 3.84 -1.26 -5.03 114.94 110.68 3fy1 s ASN 275 Ca -0.01 0.04 0.37 0.00 0.21 0.00 0.00 52.86 53.48 3fy1 s ASN 275 Cb 0.12 0.48 2.00 0.00 -0.55 0.00 0.00 41.25 43.30 3fy1 s ASN 275 CO 0.70 -0.30 2.13 -0.65 -2.79 0.00 0.00 177.10 176.19 3fy1 h PRO 276 N 8.31 0.00 0.00 0.43 0.11 -1.82 -0.60 132.00 138.42 3fy1 h PRO 276 Ca -0.16 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.88 3fy1 h PRO 276 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3fy1 h PRO 276 CO 0.23 0.00 -0.33 0.77 -0.21 0.00 0.00 178.00 178.47 3fy1 h SER 277 N 0.00 0.00 -3.38 -2.05 0.02 -1.96 -3.42 113.55 102.77 3fy1 h SER 277 Ca 0.00 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.23 3fy1 h SER 277 Cb 0.33 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.60 3fy1 h SER 277 CO 0.00 0.33 -0.41 0.21 -1.14 0.00 0.00 176.83 175.82 3fy1 s ASN 278 N -6.32 5.80 0.00 3.07 3.84 -0.23 -4.92 114.94 116.18 3fy1 s ASN 278 Ca 0.03 -1.53 0.00 0.00 0.21 0.00 0.00 52.86 51.57 3fy1 s ASN 278 Cb 0.08 -2.05 0.00 0.00 -0.55 0.00 0.00 41.25 38.73 3fy1 s ASN 278 CO 0.69 -0.60 0.74 0.35 -2.79 0.00 0.00 177.10 175.49 3fy1 n THR 279 N 5.00 0.54 -1.90 -5.21 -2.24 -1.26 -4.73 114.28 104.48 3fy1 n THR 279 Ca -0.11 -0.58 -0.25 0.00 -2.27 0.00 0.00 64.05 60.84 3fy1 n THR 279 Cb 0.43 0.78 0.17 0.00 -2.10 0.00 0.00 70.33 69.61 3fy1 n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fy1 n GLY 280 N -0.27 -1.19 3.70 3.38 0.00 -1.26 -4.96 105.19 104.59 3fy1 n GLY 280 Ca 0.00 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 3fy1 n GLY 280 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fy1 s ILE 281 N -3.43 3.51 0.00 -0.61 -1.09 -1.26 -2.75 121.20 115.57 3fy1 s ILE 281 Ca 0.65 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 60.05 3fy1 s ILE 281 Cb -0.02 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 3fy1 s ILE 281 CO 0.45 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 3fy1 n GLY 282 N 3.62 0.79 3.77 6.18 0.00 -0.71 -4.99 105.19 113.85 3fy1 n GLY 282 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3fy1 n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy1 s ALA 283 N -2.20 3.32 0.32 4.61 0.00 -1.11 -4.61 121.76 122.09 3fy1 s ALA 283 Ca 0.00 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 3fy1 s ALA 283 Cb 0.00 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 3fy1 s ALA 283 CO 0.00 -0.69 1.42 -2.14 0.00 0.00 0.00 175.76 174.35 3fy1 s PRO 284 N -2.09 4.24 0.25 0.00 0.02 -1.26 -0.50 135.00 135.66 3fy1 s PRO 284 Ca 0.54 2.38 0.09 0.00 0.02 0.00 0.00 61.00 64.03 3fy1 s PRO 284 Cb -0.37 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.05 3fy1 s PRO 284 CO 0.48 -0.40 -0.15 0.95 -0.33 0.00 0.00 177.00 177.56 3fy1 s THR 285 N -0.71 2.00 -0.59 0.99 -4.23 -0.02 -1.16 115.64 111.92 3fy1 s THR 285 Ca 0.54 -2.27 0.05 0.00 -1.18 0.00 0.00 61.69 58.84 3fy1 s THR 285 Cb -0.43 -2.22 0.05 0.00 1.34 0.00 0.00 72.50 71.24 3fy1 s THR 285 CO 0.53 -0.47 0.72 -1.54 -0.54 0.00 0.00 174.62 173.32 3fy1 n SER 286 N -0.51 1.55 0.00 3.99 3.41 0.30 -4.65 113.62 117.71 3fy1 n SER 286 Ca -0.06 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 3fy1 n SER 286 Cb 0.61 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3fy1 n SER 286 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fy1 n GLY 287 N 0.23 -2.69 3.77 5.00 0.00 -1.26 -4.97 105.19 105.27 3fy1 n GLY 287 Ca 0.03 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 3fy1 n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy1 s ALA 288 N -1.87 3.19 1.04 4.61 0.00 -1.26 -1.03 121.76 126.44 3fy1 s ALA 288 Ca 0.00 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.07 3fy1 s ALA 288 Cb 0.00 -3.51 0.23 0.00 0.00 0.00 0.00 23.12 19.84 3fy1 s ALA 288 CO 0.00 -0.96 1.26 0.20 0.00 0.00 0.00 175.76 176.26 3fy1 s GLY 289 N -0.75 1.73 0.39 0.00 0.00 -0.55 -4.35 107.32 103.80 3fy1 s GLY 289 Ca 0.60 -1.15 -0.26 0.00 0.00 0.00 0.00 44.72 43.91 3fy1 s GLY 289 CO 0.50 -0.33 1.23 -4.14 0.00 0.00 0.00 173.10 170.36 3fy1 s PRO 290 N -5.76 4.06 0.44 2.90 0.02 -1.26 -1.16 135.00 134.24 3fy1 s PRO 290 Ca 0.73 2.00 -0.25 0.00 0.02 0.00 0.00 61.00 63.51 3fy1 s PRO 290 Cb -0.05 -2.77 -0.09 0.00 0.02 0.00 0.00 34.50 31.61 3fy1 s PRO 290 CO 0.54 -0.36 1.26 0.00 -0.33 0.00 0.00 177.00 178.11 3fy1 n ALA 291 N 0.20 1.27 -1.69 -1.55 0.00 -1.26 -4.26 120.51 113.23 3fy1 n ALA 291 Ca 0.03 0.24 -0.33 0.00 0.00 0.00 0.00 53.44 53.39 3fy1 n ALA 291 Cb 0.45 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3fy1 n ALA 291 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3fy1 s GLY 292 N -0.60 2.12 0.05 0.00 0.00 -1.25 -4.85 107.32 102.79 3fy1 s GLY 292 Ca 0.63 0.36 0.21 0.00 0.00 0.00 0.00 44.72 45.92 3fy1 s GLY 292 CO 0.57 0.68 1.65 -1.55 0.00 0.00 0.00 173.10 174.45 3fy1 n PRO 293 N -1.97 0.05 -0.09 2.90 -0.04 -1.26 -1.77 135.00 132.83 3fy1 n PRO 293 Ca 0.08 0.20 -0.18 0.00 -0.04 0.00 0.00 63.50 63.57 3fy1 n PRO 293 Cb 0.53 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 3fy1 n PRO 293 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3fy1 n TYR 294 N -1.67 0.00 0.29 0.54 4.02 -1.26 -4.72 117.16 114.36 3fy1 n TYR 294 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.05 3fy1 n TYR 294 Cb 0.25 -0.62 0.15 0.00 -0.02 0.00 0.00 39.34 39.10 3fy1 n TYR 294 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fy1 h ALA 295 N -0.70 0.78 -4.49 -0.72 0.00 -1.96 -3.39 119.26 108.78 3fy1 h ALA 295 Ca -0.38 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.12 3fy1 h ALA 295 Cb 1.26 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.10 3fy1 h ALA 295 CO -0.23 0.00 -0.60 1.63 0.00 0.00 0.00 179.25 180.05 3fy1 n LYS 296 N -2.71 -4.71 -3.85 0.00 4.76 -0.73 -4.94 118.16 105.98 3fy1 n LYS 296 Ca 0.03 0.89 -0.36 0.00 -2.87 0.00 0.00 58.31 56.00 3fy1 n LYS 296 Cb 0.51 -5.74 -0.13 0.00 -1.84 0.00 0.00 35.03 27.83 3fy1 n LYS 296 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3fy1 s GLU 297 N -5.70 2.82 0.05 1.97 2.02 -1.26 -4.84 118.70 113.75 3fy1 s GLU 297 Ca 0.30 -1.02 -0.37 0.00 0.02 0.00 0.00 54.97 53.90 3fy1 s GLU 297 Cb -0.13 -3.23 -0.17 0.00 0.10 0.00 0.00 34.13 30.70 3fy1 s GLU 297 CO 0.37 -0.50 1.37 0.43 0.02 0.00 0.00 175.26 176.95 3fy1 n SER 298 N 4.75 1.66 0.00 -0.19 7.64 -1.26 -1.82 113.62 124.40 3fy1 n SER 298 Ca -0.15 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.85 3fy1 n SER 298 Cb 0.46 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 3fy1 n SER 298 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fy1 n GLY 299 N 2.63 0.41 2.86 0.23 0.00 -0.31 -4.90 105.19 106.11 3fy1 n GLY 299 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 3fy1 n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fy1 s ILE 300 N -1.93 0.26 -0.09 -0.61 -1.09 -0.76 -1.51 121.20 115.48 3fy1 s ILE 300 Ca 0.00 -0.01 0.04 0.00 -2.23 0.00 0.00 60.65 58.44 3fy1 s ILE 300 Cb 0.00 -0.31 0.00 0.00 -1.58 0.00 0.00 42.46 40.57 3fy1 s ILE 300 CO 0.00 0.14 -0.21 0.26 -1.23 0.00 0.00 174.94 173.90 3fy1 s TRP 301 N 0.69 2.21 0.73 3.97 0.51 -0.74 -3.82 118.94 122.49 3fy1 s TRP 301 Ca -0.07 -0.87 -0.16 0.00 -2.12 0.00 0.00 56.10 52.88 3fy1 s TRP 301 Cb -0.11 -1.50 0.03 0.00 -0.81 0.00 0.00 33.47 31.08 3fy1 s TRP 301 CO -0.01 -0.36 1.18 0.00 -0.51 0.00 0.00 176.95 177.26 3fy1 n ALA 302 N 3.56 0.39 -0.24 0.98 0.00 -1.26 -0.55 120.51 123.37 3fy1 n ALA 302 Ca -0.20 -0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.11 3fy1 n ALA 302 Cb 0.53 -2.25 0.17 0.00 0.00 0.00 0.00 19.45 17.89 3fy1 n ALA 302 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3fy1 h TYR 303 N -0.19 0.46 -0.26 0.00 3.20 -0.90 0.15 116.97 119.42 3fy1 h TYR 303 Ca -0.48 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.38 3fy1 h TYR 303 Cb 1.32 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 3fy1 h TYR 303 CO 0.43 0.05 -0.04 0.10 -1.64 0.00 0.00 178.16 177.07 3fy1 h TYR 304 N 0.42 0.41 -0.44 -3.82 -0.00 -1.84 0.56 116.97 112.27 3fy1 h TYR 304 Ca 0.39 -0.04 -0.10 0.00 -0.00 0.00 0.00 58.73 58.98 3fy1 h TYR 304 Cb 0.58 -0.12 -0.02 0.00 -0.00 0.00 0.00 36.73 37.17 3fy1 h TYR 304 CO -0.18 0.44 -0.13 0.93 -0.00 0.00 0.00 178.16 179.22 3fy1 h GLU 305 N 0.38 0.80 -0.55 0.10 5.08 -1.45 -2.65 114.58 116.29 3fy1 h GLU 305 Ca 0.08 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3fy1 h GLU 305 Cb 0.32 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3fy1 h GLU 305 CO 0.01 0.89 0.07 0.82 -1.00 0.00 0.00 179.01 179.80 3fy1 h ILE 306 N 0.72 1.25 -0.67 3.13 2.04 0.10 -2.71 117.51 121.37 3fy1 h ILE 306 Ca 0.12 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3fy1 h ILE 306 Cb 0.62 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3fy1 h ILE 306 CO 0.04 0.35 0.43 0.00 0.00 0.00 0.00 178.15 178.97 3fy1 h THR 308 N 0.92 0.94 -0.52 0.00 2.02 -1.18 0.42 112.91 115.52 3fy1 h THR 308 Ca 0.25 -0.06 0.10 0.00 0.77 0.00 0.00 66.41 67.47 3fy1 h THR 308 Cb -0.07 0.74 -0.09 0.00 -1.74 0.00 0.00 68.15 66.99 3fy1 h THR 308 CO -0.05 0.03 -0.02 0.15 0.37 0.00 0.00 175.52 176.00 3fy1 h PHE 309 N 0.18 -0.07 -0.35 3.16 3.57 -1.03 -1.84 116.94 120.56 3fy1 h PHE 309 Ca 0.10 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 3fy1 h PHE 309 Cb 0.07 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3fy1 h PHE 309 CO -0.13 -0.14 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.58 3fy1 h LEU 310 N 0.09 0.74 -1.17 0.59 3.38 -0.92 -2.69 115.31 115.34 3fy1 h LEU 310 Ca 0.26 -0.41 0.10 0.00 0.09 0.00 0.00 57.88 57.93 3fy1 h LEU 310 Cb 0.40 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3fy1 h LEU 310 CO -0.46 0.99 0.59 0.11 0.09 0.00 0.00 178.44 179.76 3fy1 h LYS 311 N 0.50 0.88 -0.66 1.13 1.57 -0.44 -2.49 116.57 117.07 3fy1 h LYS 311 Ca 0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3fy1 h LYS 311 Cb 0.70 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3fy1 h LYS 311 CO 0.05 0.58 0.00 0.09 -0.57 0.00 0.00 179.45 179.60 3fy1 n ASN 312 N -4.54 4.71 0.00 0.86 3.02 -0.74 -4.91 115.26 113.67 3fy1 n ASN 312 Ca 0.16 -2.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.00 3fy1 n ASN 312 Cb 0.31 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 3fy1 n ASN 312 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fy1 n GLY 313 N 0.56 1.13 3.70 7.41 0.00 -0.94 -5.06 105.19 111.99 3fy1 n GLY 313 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 3fy1 n GLY 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy1 n ALA 314 N -1.49 1.25 -2.52 4.61 0.00 -1.02 -4.93 120.51 116.42 3fy1 n ALA 314 Ca 0.00 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 3fy1 n ALA 314 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.15 3fy1 n ALA 314 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fy1 s THR 315 N -1.24 4.35 -0.04 0.00 2.01 0.42 -4.85 115.64 116.29 3fy1 s THR 315 Ca 0.64 1.68 -0.15 0.00 0.31 0.00 0.00 61.69 64.17 3fy1 s THR 315 Cb -0.49 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 67.89 3fy1 s THR 315 CO 0.56 0.09 0.39 -1.10 -0.69 0.00 0.00 174.62 173.87 3fy1 s GLN 316 N 1.35 3.97 0.19 4.92 -0.21 -1.26 -1.31 119.66 127.31 3fy1 s GLN 316 Ca 0.56 0.35 0.09 0.00 0.02 0.00 0.00 55.36 56.38 3fy1 s GLN 316 Cb -0.26 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.45 3fy1 s GLN 316 CO 0.27 0.59 -0.17 0.20 -2.12 0.00 0.00 175.29 174.06 3fy1 s GLY 317 N -0.73 1.47 -0.11 3.09 0.00 0.11 -4.98 107.32 106.18 3fy1 s GLY 317 Ca 0.23 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 43.36 3fy1 s GLY 317 CO 0.12 -1.67 -0.13 0.86 0.00 0.00 0.00 173.10 172.27 3fy1 s TRP 318 N -2.45 1.85 -0.93 1.90 -0.11 -1.26 -1.88 118.94 116.06 3fy1 s TRP 318 Ca 0.20 -0.88 -0.18 0.00 1.22 0.00 0.00 56.10 56.46 3fy1 s TRP 318 Cb -0.04 -1.36 0.14 0.00 -1.50 0.00 0.00 33.47 30.70 3fy1 s TRP 318 CO 0.08 -0.48 1.12 0.34 -4.62 0.00 0.00 176.95 173.39 3fy1 s ASP 319 N 1.11 6.65 0.15 5.86 3.68 -0.20 -4.93 116.67 128.99 3fy1 s ASP 319 Ca -0.05 -2.10 -0.15 0.00 2.13 0.00 0.00 52.55 52.38 3fy1 s ASP 319 Cb -0.14 -2.39 0.03 0.00 -1.45 0.00 0.00 42.92 38.96 3fy1 s ASP 319 CO -0.03 -1.03 1.77 0.00 0.13 0.00 0.00 175.17 176.00 3fy1 h ALA 320 N 8.74 0.58 -0.63 3.66 0.00 -1.97 0.99 119.26 130.63 3fy1 h ALA 320 Ca 0.16 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3fy1 h ALA 320 Cb 1.02 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3fy1 h ALA 320 CO 1.10 0.09 0.42 -1.35 0.00 0.00 0.00 179.25 179.51 3fy1 h PRO 321 N 0.59 0.59 -0.01 0.00 0.11 -1.91 -2.85 132.00 128.52 3fy1 h PRO 321 Ca 0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3fy1 h PRO 321 Cb 0.04 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3fy1 h PRO 321 CO -0.03 0.39 -0.41 1.04 -0.21 0.00 0.00 178.00 178.79 3fy1 n GLN 322 N -4.48 1.42 -3.60 1.05 6.02 -1.09 -4.40 117.38 112.31 3fy1 n GLN 322 Ca 0.09 -0.94 -0.24 0.00 -0.01 0.00 0.00 57.00 55.89 3fy1 n GLN 322 Cb 0.24 -1.39 0.07 0.00 1.02 0.00 0.00 30.24 30.18 3fy1 n GLN 322 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3fy1 n GLU 323 N -0.03 -7.68 -4.01 -1.09 -0.58 0.32 -1.42 120.64 106.15 3fy1 n GLU 323 Ca 0.08 0.81 -0.10 0.00 -0.42 0.00 0.00 57.16 57.53 3fy1 n GLU 323 Cb 0.42 -5.85 -0.11 0.00 -0.57 0.00 0.00 31.44 25.32 3fy1 n GLU 323 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3fy1 s VAL 324 N -3.31 0.26 0.53 2.62 -7.23 -1.08 -4.51 120.40 107.68 3fy1 s VAL 324 Ca 0.58 -0.97 -0.07 0.00 -1.81 0.00 0.00 61.98 59.71 3fy1 s VAL 324 Cb -0.26 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 3fy1 s VAL 324 CO 0.72 -0.46 0.88 -2.16 -0.31 0.00 0.00 175.10 173.77 3fy1 s PRO 325 N -1.50 3.55 0.16 4.82 0.04 -1.25 -1.03 135.00 139.80 3fy1 s PRO 325 Ca -0.14 0.39 -0.02 0.00 0.04 0.00 0.00 61.00 61.27 3fy1 s PRO 325 Cb -0.10 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 3fy1 s PRO 325 CO -0.01 -0.35 0.12 1.52 0.04 0.00 0.00 177.00 178.33 3fy1 s TYR 326 N -2.90 0.90 0.01 0.56 -0.85 -0.79 -2.70 117.35 111.58 3fy1 s TYR 326 Ca 0.50 -1.22 -0.15 0.00 -0.52 0.00 0.00 57.07 55.69 3fy1 s TYR 326 Cb -0.11 -0.44 0.02 0.00 0.38 0.00 0.00 41.96 41.81 3fy1 s TYR 326 CO 0.48 -0.59 0.31 0.00 -1.52 0.00 0.00 175.55 174.23 3fy1 s ALA 327 N -4.08 -0.76 0.04 9.51 0.00 -0.48 0.09 121.76 126.08 3fy1 s ALA 327 Ca 0.28 0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 3fy1 s ALA 327 Cb 0.07 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.37 3fy1 s ALA 327 CO 0.05 -0.32 0.25 1.52 0.00 0.00 0.00 175.76 177.27 3fy1 s TYR 328 N -1.78 -0.03 -0.28 0.00 1.13 -0.43 -0.44 117.35 115.52 3fy1 s TYR 328 Ca -0.10 -0.14 -0.15 0.00 -1.41 0.00 0.00 57.07 55.27 3fy1 s TYR 328 Cb -0.04 0.04 0.09 0.00 -1.10 0.00 0.00 41.96 40.95 3fy1 s TYR 328 CO 0.02 -0.47 0.67 -1.14 -2.51 0.00 0.00 175.55 172.11 3fy1 s GLN 329 N -2.53 0.67 5.62 -3.49 0.74 -0.06 -0.44 119.66 120.17 3fy1 s GLN 329 Ca -0.05 1.24 0.00 0.00 0.05 0.00 0.00 55.36 56.60 3fy1 s GLN 329 Cb -0.01 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.34 3fy1 s GLN 329 CO -0.03 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 3fy1 n GLY 330 N 4.50 3.56 0.99 2.59 0.00 -1.26 -1.41 105.19 114.16 3fy1 n GLY 330 Ca -0.19 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.01 3fy1 n GLY 330 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fy1 n ASN 331 N 5.69 2.86 -4.46 1.61 6.94 -1.26 -4.64 115.26 122.00 3fy1 n ASN 331 Ca 0.00 -2.05 -0.33 0.00 -0.02 0.00 0.00 54.58 52.18 3fy1 n ASN 331 Cb 0.00 -0.36 -0.13 0.00 -2.36 0.00 0.00 39.78 36.93 3fy1 n ASN 331 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3fy1 s VAL 332 N -1.39 3.39 -0.02 3.53 1.01 -0.50 -0.21 120.40 126.21 3fy1 s VAL 332 Ca 0.35 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3fy1 s VAL 332 Cb 0.19 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 34.16 3fy1 s VAL 332 CO 0.22 0.54 -0.07 0.86 0.00 0.00 0.00 175.10 176.66 3fy1 s TRP 333 N -0.07 0.73 -0.05 5.22 -0.00 -0.86 -0.88 118.94 123.03 3fy1 s TRP 333 Ca -0.01 -0.17 0.02 0.00 -0.00 0.00 0.00 56.10 55.95 3fy1 s TRP 333 Cb -0.14 -0.55 0.01 0.00 -0.00 0.00 0.00 33.47 32.80 3fy1 s TRP 333 CO 0.03 -0.09 -0.11 0.54 -0.00 0.00 0.00 176.95 177.32 3fy1 s VAL 334 N 0.27 1.01 -0.20 5.86 0.11 0.41 -0.40 120.40 127.47 3fy1 s VAL 334 Ca -0.04 -0.43 -0.07 0.00 -2.93 0.00 0.00 61.98 58.52 3fy1 s VAL 334 Cb -0.08 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3fy1 s VAL 334 CO 0.00 0.32 0.05 -0.83 -3.33 0.00 0.00 175.10 171.31 3fy1 s GLY 335 N 0.54 1.85 0.00 6.54 0.00 -0.27 -1.39 107.32 114.59 3fy1 s GLY 335 Ca -0.11 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3fy1 s GLY 335 CO 0.02 0.16 0.00 1.58 0.00 0.00 0.00 173.10 174.86 3fy1 n TYR 336 N 3.88 -0.72 -4.52 1.90 4.11 -1.10 -1.58 117.16 119.13 3fy1 n TYR 336 Ca -0.16 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.52 3fy1 n TYR 336 Cb 0.52 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.72 3fy1 n TYR 336 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3fy1 s ASP 337 N -0.99 1.67 0.00 9.48 1.11 -1.26 -3.78 116.67 122.90 3fy1 s ASP 337 Ca 0.00 -0.34 0.00 0.00 0.18 0.00 0.00 52.55 52.39 3fy1 s ASP 337 Cb 0.00 -0.15 0.00 0.00 1.07 0.00 0.00 42.92 43.84 3fy1 s ASP 337 CO 0.00 0.11 0.00 -0.46 1.18 0.00 0.00 175.17 176.00 3fy1 n ASN 338 N 2.37 1.21 -0.15 0.27 0.23 -1.26 -4.90 115.26 113.02 3fy1 n ASN 338 Ca -0.16 -0.88 -0.06 0.00 -0.53 0.00 0.00 54.58 52.96 3fy1 n ASN 338 Cb 0.55 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.28 3fy1 n ASN 338 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3fy1 h VAL 339 N 0.88 1.01 -0.19 3.53 2.07 -1.95 -1.36 116.25 120.24 3fy1 h VAL 339 Ca 0.00 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3fy1 h VAL 339 Cb 0.00 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3fy1 h VAL 339 CO 0.00 0.09 0.11 0.50 0.02 0.00 0.00 177.57 178.29 3fy1 h LYS 340 N 0.52 0.22 -0.24 1.57 3.64 -1.98 -1.23 116.57 119.06 3fy1 h LYS 340 Ca 0.19 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.41 3fy1 h LYS 340 Cb 0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3fy1 h LYS 340 CO -0.11 0.14 -0.46 0.66 -2.27 0.00 0.00 179.45 177.41 3fy1 h SER 341 N 0.22 0.67 -0.48 4.20 4.64 -1.76 -1.23 113.55 119.82 3fy1 h SER 341 Ca 0.07 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 3fy1 h SER 341 Cb -0.00 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 3fy1 h SER 341 CO -0.03 1.03 0.26 -0.26 -0.87 0.00 0.00 176.83 176.96 3fy1 h PHE 342 N 0.50 0.66 -0.35 4.77 -1.00 -1.12 -1.32 116.94 119.07 3fy1 h PHE 342 Ca 0.03 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 3fy1 h PHE 342 Cb 0.99 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.33 3fy1 h PHE 342 CO 0.04 0.50 0.18 0.22 -1.61 0.00 0.00 178.31 177.64 3fy1 h ASP 343 N 0.63 0.44 -0.35 2.17 1.82 -1.04 -0.46 116.42 119.63 3fy1 h ASP 343 Ca 0.17 -0.10 0.04 0.00 -0.39 0.00 0.00 57.03 56.74 3fy1 h ASP 343 Cb 0.06 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 39.92 3fy1 h ASP 343 CO -0.03 0.42 0.14 0.40 -1.61 0.00 0.00 179.24 178.56 3fy1 h ILE 344 N 0.43 0.93 -0.71 2.25 2.04 -1.04 -0.77 117.51 120.64 3fy1 h ILE 344 Ca 0.12 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 3fy1 h ILE 344 Cb 0.08 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3fy1 h ILE 344 CO -0.02 0.05 0.26 0.11 0.00 0.00 0.00 178.15 178.56 3fy1 h LYS 345 N 0.30 1.06 -0.53 2.37 1.57 -1.09 -1.67 116.57 118.58 3fy1 h LYS 345 Ca 0.16 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3fy1 h LYS 345 Cb 0.11 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3fy1 h LYS 345 CO -0.14 0.88 0.16 0.00 -0.57 0.00 0.00 179.45 179.77 3fy1 h ALA 346 N 1.25 0.69 -0.66 3.86 0.00 -0.44 0.15 119.26 124.11 3fy1 h ALA 346 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3fy1 h ALA 346 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3fy1 h ALA 346 CO -0.02 0.36 0.33 1.96 0.00 0.00 0.00 179.25 181.88 3fy1 h GLN 347 N 0.73 0.94 -0.63 0.00 1.08 -0.97 -1.72 115.11 114.52 3fy1 h GLN 347 Ca 0.17 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3fy1 h GLN 347 Cb 0.28 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 3fy1 h GLN 347 CO -0.00 0.74 0.38 2.35 -0.95 0.00 0.00 178.83 181.34 3fy1 h TRP 348 N 0.91 0.84 -0.31 2.96 7.01 -0.89 -1.29 115.95 125.18 3fy1 h TRP 348 Ca 0.23 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.27 3fy1 h TRP 348 Cb 0.09 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 26.84 3fy1 h TRP 348 CO 0.00 0.58 0.07 1.25 -2.79 0.00 0.00 178.44 177.55 3fy1 h LEU 349 N 0.86 0.03 -0.60 0.65 6.46 -0.38 -1.34 115.31 121.00 3fy1 h LEU 349 Ca 0.23 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 58.03 3fy1 h LEU 349 Cb -0.01 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 3fy1 h LEU 349 CO -0.04 0.05 0.35 0.11 -0.62 0.00 0.00 178.44 178.29 3fy1 h LYS 350 N 0.18 0.81 -0.05 1.25 1.57 -1.04 -0.77 116.57 118.53 3fy1 h LYS 350 Ca 0.14 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3fy1 h LYS 350 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3fy1 h LYS 350 CO -0.18 0.59 -0.20 0.45 -0.57 0.00 0.00 179.45 179.53 3fy1 h HIS 351 N 0.81 0.08 -0.01 -1.35 3.86 -0.75 -1.43 115.15 116.35 3fy1 h HIS 351 Ca 0.21 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3fy1 h HIS 351 Cb -0.01 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.44 3fy1 h HIS 351 CO -0.02 0.28 -0.25 0.09 0.86 0.00 0.00 177.93 178.90 3fy1 n ASN 352 N -4.26 1.20 -3.65 2.45 3.02 -0.55 -4.98 115.26 108.50 3fy1 n ASN 352 Ca -0.02 -1.03 -0.25 0.00 -0.03 0.00 0.00 54.58 53.25 3fy1 n ASN 352 Cb 0.29 0.15 0.07 0.00 -0.61 0.00 0.00 39.78 39.67 3fy1 n ASN 352 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3fy1 n LYS 353 N -0.47 -7.34 -1.50 3.52 5.02 -0.32 -5.01 118.16 112.06 3fy1 n LYS 353 Ca 0.13 0.78 -0.29 0.00 -2.02 0.00 0.00 58.31 56.91 3fy1 n LYS 353 Cb 0.36 -5.80 0.15 0.00 -0.02 0.00 0.00 35.03 29.72 3fy1 n LYS 353 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3fy1 s PHE 354 N -3.31 2.36 0.20 2.13 0.40 -1.07 -4.35 117.98 114.34 3fy1 s PHE 354 Ca 0.60 0.82 0.30 0.00 -0.60 0.00 0.00 56.93 58.06 3fy1 s PHE 354 Cb -0.27 -3.41 1.31 0.00 0.51 0.00 0.00 43.02 41.16 3fy1 s PHE 354 CO 0.74 -2.49 1.98 0.78 0.70 0.00 0.00 175.22 176.92 3fy1 h GLY 355 N -1.58 0.00 0.00 4.36 0.00 -0.21 -3.46 103.07 102.18 3fy1 h GLY 355 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3fy1 h GLY 355 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 3fy1 n GLY 356 N -0.12 0.32 3.19 4.60 0.00 -1.24 -1.32 105.19 110.62 3fy1 n GLY 356 Ca -0.00 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 3fy1 n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fy1 s ALA 357 N -1.00 1.43 0.18 4.61 0.00 -0.45 -1.45 121.76 125.08 3fy1 s ALA 357 Ca 0.00 -0.94 0.11 0.00 0.00 0.00 0.00 51.96 51.13 3fy1 s ALA 357 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3fy1 s ALA 357 CO 0.00 0.29 -0.24 0.00 0.00 0.00 0.00 175.76 175.81 3fy1 s MET 358 N -1.20 1.52 -0.12 0.00 0.23 0.66 -0.52 119.30 119.87 3fy1 s MET 358 Ca 0.04 -1.48 0.00 0.00 -1.03 0.00 0.00 55.69 53.22 3fy1 s MET 358 Cb -0.08 -1.87 0.02 0.00 -1.53 0.00 0.00 34.83 31.37 3fy1 s MET 358 CO 0.02 0.41 -0.10 0.08 -2.03 0.00 0.00 175.02 173.40 3fy1 s VAL 359 N -1.56 1.20 -0.30 5.16 1.01 0.14 -0.50 120.40 125.54 3fy1 s VAL 359 Ca 0.20 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 3fy1 s VAL 359 Cb -0.08 -1.17 0.04 0.00 0.00 0.00 0.00 36.38 35.16 3fy1 s VAL 359 CO 0.09 0.39 0.04 0.86 0.00 0.00 0.00 175.10 176.49 3fy1 s TRP 360 N 1.52 3.21 0.08 5.22 -0.11 -0.53 -1.32 118.94 127.00 3fy1 s TRP 360 Ca 0.03 -1.52 0.00 0.00 1.22 0.00 0.00 56.10 55.83 3fy1 s TRP 360 Cb -0.13 -2.18 -0.04 0.00 -1.50 0.00 0.00 33.47 29.62 3fy1 s TRP 360 CO -0.07 -0.73 -0.05 0.00 -4.62 0.00 0.00 176.95 171.48 3fy1 s ALA 361 N 1.36 0.75 0.36 5.86 0.00 -1.26 -0.91 121.76 127.92 3fy1 s ALA 361 Ca -0.02 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.70 3fy1 s ALA 361 Cb -0.19 0.23 0.71 0.00 0.00 0.00 0.00 23.12 23.88 3fy1 s ALA 361 CO 0.00 -0.31 2.00 0.97 0.00 0.00 0.00 175.76 178.43 3fy1 h ILE 362 N 3.05 1.10 0.00 0.00 2.10 -1.27 -1.17 117.51 121.32 3fy1 h ILE 362 Ca -0.35 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.33 3fy1 h ILE 362 Cb 1.15 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.15 3fy1 h ILE 362 CO 0.65 0.14 0.00 -0.90 -1.08 0.00 0.00 178.15 176.96 3fy1 n ASP 363 N -4.46 0.00 -0.01 2.19 5.68 -1.26 -2.89 116.55 115.80 3fy1 n ASP 363 Ca 0.07 0.15 0.11 0.00 -0.50 0.00 0.00 54.79 54.62 3fy1 n ASP 363 Cb 0.11 -0.36 -0.16 0.00 -1.14 0.00 0.00 41.12 39.58 3fy1 n ASP 363 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3fy1 n LEU 364 N -1.36 0.24 -4.69 -2.12 4.77 -0.45 -4.90 117.00 108.49 3fy1 n LEU 364 Ca 0.09 -0.12 -0.31 0.00 -0.03 0.00 0.00 56.01 55.64 3fy1 n LEU 364 Cb 0.20 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.44 3fy1 n LEU 364 CO 0.18 0.06 0.67 -0.62 -1.33 0.00 0.00 177.39 176.34 3fy1 s ASP 365 N -4.13 3.24 -1.24 -1.43 -1.08 -1.14 -2.42 116.67 108.47 3fy1 s ASP 365 Ca -0.04 1.92 -0.17 0.00 -0.52 0.00 0.00 52.55 53.74 3fy1 s ASP 365 Cb 0.14 -2.48 -0.01 0.00 -1.46 0.00 0.00 42.92 39.11 3fy1 s ASP 365 CO 0.89 -2.86 2.04 -0.67 0.52 0.00 0.00 175.17 175.09 3fy1 n ASP 366 N -4.06 3.67 0.03 -0.34 2.03 -1.26 -4.69 116.55 111.94 3fy1 n ASP 366 Ca 0.09 -2.80 0.01 0.00 0.52 0.00 0.00 54.79 52.61 3fy1 n ASP 366 Cb 0.53 -1.55 0.34 0.00 -0.72 0.00 0.00 41.12 39.72 3fy1 n ASP 366 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3fy1 h PHE 367 N 7.08 0.46 0.00 -0.67 -0.00 -1.90 -1.66 116.94 120.26 3fy1 h PHE 367 Ca 0.48 -0.04 -0.06 0.00 -0.00 0.00 0.00 57.97 58.35 3fy1 h PHE 367 Cb 0.72 -0.14 -0.01 0.00 -0.00 0.00 0.00 35.95 36.52 3fy1 h PHE 367 CO 1.38 0.46 -0.29 1.79 -0.00 0.00 0.00 178.31 181.65 3fy1 h THR 368 N 0.44 0.58 0.00 0.88 1.35 -1.91 -3.35 112.91 110.90 3fy1 h THR 368 Ca 0.10 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 3fy1 h THR 368 Cb 0.28 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3fy1 h THR 368 CO 0.01 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.17 3fy1 n GLY 369 N 0.63 1.70 0.05 5.82 0.00 -0.84 -4.76 105.19 107.78 3fy1 n GLY 369 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3fy1 n GLY 369 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fy1 n THR 370 N -2.00 0.30 -0.04 2.61 -2.24 -1.26 -2.08 114.28 109.57 3fy1 n THR 370 Ca 0.00 -0.27 -0.21 0.00 -2.27 0.00 0.00 64.05 61.30 3fy1 n THR 370 Cb 0.00 -0.03 -0.13 0.00 -2.10 0.00 0.00 70.33 68.07 3fy1 n THR 370 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3fy1 h PHE 371 N 0.00 0.27 0.00 4.78 -1.00 -1.91 -3.40 116.94 115.69 3fy1 h PHE 371 Ca 0.00 -0.20 -0.00 0.00 2.81 0.00 0.00 57.97 60.58 3fy1 h PHE 371 Cb 0.74 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.29 3fy1 h PHE 371 CO 0.00 1.57 -1.88 0.00 -1.61 0.00 0.00 178.31 176.39 3fy1 n ASN 373 N -2.31 -6.01 -0.44 0.00 4.13 -0.89 -4.88 115.26 104.85 3fy1 n ASN 373 Ca -0.04 -0.28 0.09 0.00 1.68 0.00 0.00 54.58 56.03 3fy1 n ASN 373 Cb 0.57 -4.87 0.19 0.00 -1.54 0.00 0.00 39.78 34.13 3fy1 n ASN 373 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fy1 n GLN 374 N -3.99 1.91 0.00 3.52 6.02 -1.26 -5.08 117.38 118.50 3fy1 n GLN 374 Ca -0.11 -2.74 0.00 0.00 -0.01 0.00 0.00 57.00 54.13 3fy1 n GLN 374 Cb 0.62 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.23 3fy1 n GLN 374 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fy1 n GLY 375 N -1.08 0.40 3.76 1.08 0.00 -1.26 -4.67 105.19 103.42 3fy1 n GLY 375 Ca 0.19 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 3fy1 n GLY 375 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fy1 s LYS 376 N -2.76 4.51 -1.18 1.61 1.02 -1.26 -3.59 119.74 118.09 3fy1 s LYS 376 Ca 0.00 1.96 -0.18 0.00 0.02 0.00 0.00 55.97 57.77 3fy1 s LYS 376 Cb 0.00 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.14 3fy1 s LYS 376 CO 0.00 0.01 0.74 1.19 -0.92 0.00 0.00 175.35 176.36 3fy1 n PHE 377 N 1.42 -1.86 -0.06 3.18 3.72 -0.68 -4.78 117.46 118.40 3fy1 n PHE 377 Ca 0.01 0.50 -0.03 0.00 -0.05 0.00 0.00 57.45 57.87 3fy1 n PHE 377 Cb 0.44 -3.50 0.20 0.00 -0.94 0.00 0.00 39.48 35.67 3fy1 n PHE 377 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fy1 h PRO 378 N -1.91 0.67 -0.09 -1.08 0.13 -1.74 0.15 132.00 128.13 3fy1 h PRO 378 Ca -0.66 -0.19 -0.04 0.00 -0.87 0.00 0.00 66.00 64.25 3fy1 h PRO 378 Cb 1.36 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 3fy1 h PRO 378 CO 0.51 0.73 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.85 3fy1 h LEU 379 N 0.62 0.23 -0.54 1.56 3.38 -1.92 -1.84 115.31 116.80 3fy1 h LEU 379 Ca 0.12 -0.48 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 3fy1 h LEU 379 Cb 0.48 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3fy1 h LEU 379 CO 0.02 0.66 -0.36 0.40 0.09 0.00 0.00 178.44 179.25 3fy1 h ILE 380 N -0.20 1.28 -0.70 1.22 2.04 -1.92 -2.72 117.51 116.51 3fy1 h ILE 380 Ca 0.01 -1.53 0.01 0.00 1.00 0.00 0.00 64.86 64.35 3fy1 h ILE 380 Cb 0.59 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 3fy1 h ILE 380 CO 0.02 0.50 0.47 0.28 0.00 0.00 0.00 178.15 179.42 3fy1 h SER 381 N 0.65 0.81 -0.70 1.72 0.02 -1.00 -0.51 113.55 114.54 3fy1 h SER 381 Ca 0.06 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3fy1 h SER 381 Cb 0.92 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 3fy1 h SER 381 CO 0.08 0.58 0.43 0.74 -1.14 0.00 0.00 176.83 177.53 3fy1 h THR 382 N 0.95 1.06 -0.27 -2.27 2.02 -1.03 -1.42 112.91 111.96 3fy1 h THR 382 Ca 0.26 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 3fy1 h THR 382 Cb -0.11 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3fy1 h THR 382 CO -0.06 0.15 -0.35 -0.07 0.37 0.00 0.00 175.52 175.56 3fy1 h LEU 383 N 0.83 0.78 -0.63 2.58 3.38 -1.06 -1.08 115.31 120.11 3fy1 h LEU 383 Ca 0.29 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 57.83 3fy1 h LEU 383 Cb 0.07 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3fy1 h LEU 383 CO -0.13 1.13 0.31 0.50 0.09 0.00 0.00 178.44 180.34 3fy1 h LYS 384 N 0.46 0.55 0.24 1.13 3.64 -0.92 0.43 116.57 122.10 3fy1 h LYS 384 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3fy1 h LYS 384 Cb 0.94 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3fy1 h LYS 384 CO 0.08 0.36 -0.12 0.87 -2.27 0.00 0.00 179.45 178.38 3fy1 h LYS 385 N 0.57 -0.31 -0.37 1.90 1.57 -1.20 -0.02 116.57 118.71 3fy1 h LYS 385 Ca 0.30 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 3fy1 h LYS 385 Cb 0.26 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3fy1 h LYS 385 CO -0.22 -0.01 0.13 0.00 -0.57 0.00 0.00 179.45 178.78 3fy1 h ALA 386 N 0.04 1.54 -0.18 3.86 0.00 -0.97 -1.74 119.26 121.80 3fy1 h ALA 386 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3fy1 h ALA 386 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fy1 h ALA 386 CO 0.05 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.94 3fy1 n LEU 387 N -4.37 1.13 -2.52 0.00 4.77 0.12 -4.88 117.00 111.24 3fy1 n LEU 387 Ca 0.02 -0.54 -0.17 0.00 -0.03 0.00 0.00 56.01 55.29 3fy1 n LEU 387 Cb 0.16 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3fy1 n LEU 387 CO 0.37 0.27 0.07 0.61 -1.33 0.00 0.00 177.39 177.38 3fy1 n GLY 388 N 0.89 -0.21 0.59 -0.72 0.00 -0.66 -4.60 105.19 100.48 3fy1 n GLY 388 Ca 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.13 3fy1 n GLY 388 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fy1 n LEU 389 N -3.41 2.42 -0.01 0.99 4.77 -0.03 -4.71 117.00 117.01 3fy1 n LEU 389 Ca -0.05 -1.36 0.01 0.00 -0.03 0.00 0.00 56.01 54.57 3fy1 n LEU 389 Cb 0.58 -0.10 0.32 0.00 -2.33 0.00 0.00 43.42 41.89 3fy1 n LEU 389 CO 0.41 0.52 1.01 -0.61 -1.33 0.00 0.00 177.39 177.38 3fy1 h GLN 390 N 2.43 0.56 -0.62 3.23 4.15 -1.80 -1.93 115.11 121.12 3fy1 h GLN 390 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3fy1 h GLN 390 Cb 0.61 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.21 3fy1 h GLN 390 CO 0.00 0.51 0.00 -1.13 -1.93 0.00 0.00 178.83 176.28 3fy1 n SER 391 N -4.34 3.43 -4.76 -0.69 3.41 -1.26 -4.98 113.62 104.44 3fy1 n SER 391 Ca 0.02 -2.33 -0.38 0.00 -0.26 0.00 0.00 58.87 55.93 3fy1 n SER 391 Cb 0.19 -0.49 0.03 0.00 -0.26 0.00 0.00 64.21 63.68 3fy1 n SER 391 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fy1 s ALA 392 N -1.78 2.79 -0.05 7.33 0.00 -0.73 -4.90 121.76 124.42 3fy1 s ALA 392 Ca 0.35 1.16 -0.34 0.00 0.00 0.00 0.00 51.96 53.12 3fy1 s ALA 392 Cb 0.23 -3.50 -0.12 0.00 0.00 0.00 0.00 23.12 19.73 3fy1 s ALA 392 CO 0.16 -1.15 1.82 0.45 0.00 0.00 0.00 175.76 177.04 3fy1 n SER 393 N -1.02 3.35 0.00 0.00 2.88 -1.26 -5.13 113.62 112.44 3fy1 n SER 393 Ca 0.10 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 3fy1 n SER 393 Cb 0.47 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 3fy1 n SER 393 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81