#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxy s GLN 23 N 0.00 2.90 -0.25 -0.72 -1.52 -0.17 -4.97 119.66 114.94 3fxy s GLN 23 Ca 0.00 -0.61 0.01 0.00 -1.95 0.00 0.00 55.36 52.81 3fxy s GLN 23 Cb 0.00 -2.75 0.06 0.00 -0.22 0.00 0.00 33.01 30.11 3fxy s GLN 23 CO 0.00 0.60 -0.04 -1.17 -0.25 0.00 0.00 175.29 174.43 3fxy s LEU 24 N -1.99 2.74 -0.22 2.90 2.96 -1.26 -1.18 118.68 122.63 3fxy s LEU 24 Ca 0.25 -1.27 -0.04 0.00 -0.22 0.00 0.00 54.13 52.85 3fxy s LEU 24 Cb -0.12 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 3fxy s LEU 24 CO 0.17 -0.25 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.00 3fxy s THR 25 N 1.36 3.31 -0.18 3.68 2.01 0.30 -0.37 115.64 125.75 3fxy s THR 25 Ca -0.04 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.44 3fxy s THR 25 Cb -0.19 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.83 3fxy s THR 25 CO -0.07 0.43 -0.15 0.00 -0.69 0.00 0.00 174.62 174.14 3fxy s TYR 27 N 1.19 3.44 -0.12 0.00 2.02 -0.71 -1.07 117.35 122.10 3fxy s TYR 27 Ca 0.02 1.51 -0.06 0.00 -0.37 0.00 0.00 57.07 58.17 3fxy s TYR 27 Cb -0.14 -3.24 -0.04 0.00 -0.40 0.00 0.00 41.96 38.14 3fxy s TYR 27 CO -0.07 -0.47 0.09 0.12 -1.57 0.00 0.00 175.55 173.66 3fxy s PHE 28 N 2.08 3.44 -0.13 2.71 5.36 0.13 -1.12 117.98 130.45 3fxy s PHE 28 Ca 0.50 0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 3fxy s PHE 28 Cb -0.20 -1.92 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 3fxy s PHE 28 CO 0.19 0.59 -0.14 0.95 -1.46 0.00 0.00 175.22 175.35 3fxy s THR 29 N -0.80 2.95 -2.00 0.12 -4.23 -1.26 -0.80 115.64 109.61 3fxy s THR 29 Ca 0.13 -0.70 0.14 0.00 -1.18 0.00 0.00 61.69 60.08 3fxy s THR 29 Cb -0.12 -2.23 0.39 0.00 1.34 0.00 0.00 72.50 71.88 3fxy s THR 29 CO 0.03 0.53 1.42 -0.46 -0.54 0.00 0.00 174.62 175.59 3fxy n ASN 30 N 3.55 0.00 -0.01 3.99 6.94 0.24 -2.41 115.26 127.56 3fxy n ASN 30 Ca -0.18 -1.28 0.08 0.00 -0.02 0.00 0.00 54.58 53.19 3fxy n ASN 30 Cb 0.53 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.85 3fxy n ASN 30 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 3fxy n TRP 31 N -0.75 0.00 0.31 -2.53 2.14 -1.26 -4.44 117.44 110.91 3fxy n TRP 31 Ca 0.10 0.00 0.20 0.00 2.07 0.00 0.00 57.50 59.87 3fxy n TRP 31 Cb 0.05 0.00 0.95 0.00 -0.81 0.00 0.00 31.31 31.49 3fxy n TRP 31 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3fxy h ALA 32 N 2.51 1.00 0.00 -1.67 0.00 -1.74 -2.53 119.26 116.83 3fxy h ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fxy h ALA 32 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3fxy h ALA 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 179.25 178.69 3fxy h GLN 33 N 0.00 0.00 -0.01 0.00 3.07 -1.77 -2.76 115.11 113.64 3fxy h GLN 33 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3fxy h GLN 33 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.81 3fxy h GLN 33 CO 0.00 0.00 -0.41 0.66 0.09 0.00 0.00 178.83 179.17 3fxy n TYR 34 N -2.78 0.00 -2.29 0.06 4.01 -0.95 -4.75 117.16 110.45 3fxy n TYR 34 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 3fxy n TYR 34 Cb 0.14 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 3fxy n TYR 34 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3fxy s ARG 35 N -2.57 4.48 0.51 -0.72 0.52 -1.07 -5.00 118.95 115.10 3fxy s ARG 35 Ca 0.20 2.01 -0.20 0.00 -0.52 0.00 0.00 55.73 57.23 3fxy s ARG 35 Cb 0.18 -3.14 -0.08 0.00 0.52 0.00 0.00 34.95 32.44 3fxy s ARG 35 CO 0.58 -0.02 1.07 -1.25 0.02 0.00 0.00 175.30 175.70 3fxy s PRO 36 N -1.43 3.65 2.66 3.54 0.04 -1.26 -2.79 135.00 139.40 3fxy s PRO 36 Ca 0.48 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.96 3fxy s PRO 36 Cb -0.36 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.12 3fxy s PRO 36 CO 0.46 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.34 3fxy n GLY 37 N -0.13 2.91 0.15 0.56 0.00 -1.26 -1.38 105.19 106.03 3fxy n GLY 37 Ca 0.10 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.23 3fxy n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fxy n LEU 38 N 0.00 0.50 0.14 0.99 4.77 -1.26 -1.53 117.00 120.61 3fxy n LEU 38 Ca 0.00 0.73 0.01 0.00 -0.03 0.00 0.00 56.01 56.73 3fxy n LEU 38 Cb 0.00 -0.79 0.12 0.00 -2.33 0.00 0.00 43.42 40.41 3fxy n LEU 38 CO 0.00 -0.90 0.48 1.23 -1.33 0.00 0.00 177.39 176.87 3fxy h GLY 39 N 0.00 0.00 -5.01 -0.72 0.00 -1.49 -3.47 103.07 92.39 3fxy h GLY 39 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3fxy h GLY 39 CO 0.00 0.00 0.91 -2.13 0.00 0.00 0.00 176.54 175.32 3fxy n ARG 40 N -3.42 2.35 -3.80 4.80 0.63 -0.58 -4.76 116.66 111.89 3fxy n ARG 40 Ca 0.00 0.85 -0.23 0.00 -0.92 0.00 0.00 57.85 57.56 3fxy n ARG 40 Cb 0.69 -2.66 -0.17 0.00 0.45 0.00 0.00 32.46 30.76 3fxy n ARG 40 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 3fxy s PHE 41 N 1.54 0.70 0.34 -0.14 5.36 -1.07 -5.00 117.98 119.71 3fxy s PHE 41 Ca 0.80 -0.19 0.09 0.00 -0.96 0.00 0.00 56.93 56.67 3fxy s PHE 41 Cb -0.62 -0.80 -0.05 0.00 -0.34 0.00 0.00 43.02 41.20 3fxy s PHE 41 CO 0.38 -0.32 0.04 -1.64 -1.46 0.00 0.00 175.22 172.22 3fxy s MET 42 N 1.88 2.15 0.45 10.12 -1.94 -1.26 -3.33 119.30 127.37 3fxy s MET 42 Ca 0.04 -1.69 0.21 0.00 -1.71 0.00 0.00 55.69 52.54 3fxy s MET 42 Cb -0.12 -1.99 1.19 0.00 2.01 0.00 0.00 34.83 35.91 3fxy s MET 42 CO -0.05 0.14 1.88 -1.35 -0.01 0.00 0.00 175.02 175.63 3fxy h PRO 43 N 1.76 0.28 0.00 2.03 0.11 -1.94 0.25 132.00 134.49 3fxy h PRO 43 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3fxy h PRO 43 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fxy h PRO 43 CO 0.66 0.19 0.00 -0.25 -0.21 0.00 0.00 178.00 178.38 3fxy n ASP 44 N -4.45 0.00 -0.04 -2.05 8.00 -1.26 -2.14 116.55 114.60 3fxy n ASP 44 Ca 0.18 -0.40 0.13 0.00 0.71 0.00 0.00 54.79 55.41 3fxy n ASP 44 Cb 0.74 -0.17 0.46 0.00 -0.02 0.00 0.00 41.12 42.12 3fxy n ASP 44 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3fxy n ASP 45 N -1.17 0.38 -4.70 -2.24 8.00 0.08 -4.84 116.55 112.06 3fxy n ASP 45 Ca 0.16 -0.15 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3fxy n ASP 45 Cb 0.16 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 3fxy n ASP 45 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fxy s ILE 46 N -2.84 4.70 -0.28 0.53 1.01 -0.91 -5.00 121.20 118.41 3fxy s ILE 46 Ca 0.17 1.96 -0.29 0.00 0.00 0.00 0.00 60.65 62.49 3fxy s ILE 46 Cb 0.19 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 3fxy s ILE 46 CO 0.58 0.05 1.46 0.21 0.00 0.00 0.00 174.94 177.24 3fxy s ASN 47 N 1.12 6.49 0.60 3.58 3.84 -1.26 -4.93 114.94 124.38 3fxy s ASN 47 Ca 0.51 1.34 0.34 0.00 0.21 0.00 0.00 52.86 55.26 3fxy s ASN 47 Cb -0.20 -2.54 1.90 0.00 -0.55 0.00 0.00 41.25 39.86 3fxy s ASN 47 CO 0.22 -1.21 2.24 1.55 -2.79 0.00 0.00 177.10 177.11 3fxy h PRO 48 N 10.13 0.00 -0.00 0.43 0.13 -1.95 -2.45 132.00 138.28 3fxy h PRO 48 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3fxy h PRO 48 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3fxy h PRO 48 CO 1.03 0.03 -0.47 0.00 -0.23 0.00 0.00 178.00 178.35 3fxy h LEU 50 N 0.59 -0.17 -9.54 0.00 5.85 -1.85 -3.46 115.31 106.72 3fxy h LEU 50 Ca 0.00 -0.30 -0.57 0.00 0.84 0.00 0.00 57.88 57.85 3fxy h LEU 50 Cb 0.52 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.49 3fxy h LEU 50 CO 0.00 0.24 -0.65 0.00 -0.34 0.00 0.00 178.44 177.69 3fxy h THR 52 N 2.04 1.21 -4.09 0.00 1.35 -1.04 -3.47 112.91 108.91 3fxy h THR 52 Ca -0.45 -2.88 -0.42 0.00 -0.55 0.00 0.00 66.41 62.10 3fxy h THR 52 Cb 1.24 2.74 -0.29 0.00 -1.73 0.00 0.00 68.15 70.11 3fxy h THR 52 CO 0.59 0.81 -0.79 -1.00 -0.25 0.00 0.00 175.52 174.88 3fxy s HIS 53 N -2.63 0.96 -0.08 4.73 3.76 -0.84 -2.43 115.29 118.75 3fxy s HIS 53 Ca -0.07 -0.18 0.04 0.00 -0.15 0.00 0.00 55.06 54.70 3fxy s HIS 53 Cb 0.07 -0.62 -0.00 0.00 1.11 0.00 0.00 32.58 33.15 3fxy s HIS 53 CO 0.85 -0.02 -0.23 -0.51 -0.85 0.00 0.00 174.74 173.98 3fxy s LEU 54 N -0.25 2.03 -0.11 0.89 1.43 -0.35 -0.69 118.68 121.63 3fxy s LEU 54 Ca 0.04 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3fxy s LEU 54 Cb -0.04 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 3fxy s LEU 54 CO -0.00 0.16 -0.18 -0.63 0.23 0.00 0.00 176.35 175.93 3fxy s ILE 55 N 0.26 2.64 -0.30 -0.59 1.01 -0.24 -0.69 121.20 123.29 3fxy s ILE 55 Ca -0.14 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 3fxy s ILE 55 Cb -0.17 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 3fxy s ILE 55 CO 0.07 0.54 0.42 -0.47 0.00 0.00 0.00 174.94 175.51 3fxy s TYR 56 N 0.27 3.22 -0.14 3.97 5.04 0.62 0.20 117.35 130.53 3fxy s TYR 56 Ca -0.12 0.29 -0.00 0.00 -2.44 0.00 0.00 57.07 54.79 3fxy s TYR 56 Cb -0.16 -2.70 -0.01 0.00 0.35 0.00 0.00 41.96 39.43 3fxy s TYR 56 CO 0.07 -0.36 -0.13 0.00 -1.34 0.00 0.00 175.55 173.79 3fxy s ALA 57 N 2.17 2.62 0.12 3.97 0.00 0.02 0.34 121.76 131.01 3fxy s ALA 57 Ca 0.16 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.23 3fxy s ALA 57 Cb -0.16 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 3fxy s ALA 57 CO 0.11 0.15 -0.11 -0.06 0.00 0.00 0.00 175.76 175.85 3fxy s PHE 58 N 0.51 1.20 0.45 0.00 0.40 -1.26 -0.59 117.98 118.69 3fxy s PHE 58 Ca -0.09 -0.70 -0.01 0.00 -0.60 0.00 0.00 56.93 55.54 3fxy s PHE 58 Cb -0.16 -0.63 -0.01 0.00 0.51 0.00 0.00 43.02 42.73 3fxy s PHE 58 CO 0.04 0.06 0.68 0.00 0.70 0.00 0.00 175.22 176.70 3fxy s ALA 59 N -2.85 3.66 0.00 5.36 0.00 0.52 -4.45 121.76 124.01 3fxy s ALA 59 Ca 0.11 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3fxy s ALA 59 Cb -0.00 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.89 3fxy s ALA 59 CO 0.01 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3fxy n GLY 60 N -2.10 6.44 3.24 0.00 0.00 0.15 -2.41 105.19 110.51 3fxy n GLY 60 Ca 0.00 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 3fxy n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fxy s MET 61 N 1.48 0.40 -0.08 1.61 1.75 -1.26 -1.88 119.30 121.32 3fxy s MET 61 Ca 0.00 0.56 -0.06 0.00 -1.25 0.00 0.00 55.69 54.94 3fxy s MET 61 Cb 0.00 0.14 0.03 0.00 2.84 0.00 0.00 34.83 37.83 3fxy s MET 61 CO 0.00 -0.08 0.20 -0.65 -0.65 0.00 0.00 175.02 173.84 3fxy s GLN 62 N 0.51 0.21 -1.49 4.11 -0.21 -0.10 -4.90 119.66 117.79 3fxy s GLN 62 Ca -0.03 0.33 -0.12 0.00 0.02 0.00 0.00 55.36 55.56 3fxy s GLN 62 Cb -0.04 0.04 0.08 0.00 1.00 0.00 0.00 33.01 34.09 3fxy s GLN 62 CO -0.03 -0.06 0.81 0.09 -2.12 0.00 0.00 175.29 173.98 3fxy n ASN 63 N 3.31 -4.56 -2.43 5.90 3.02 -1.26 -0.69 115.26 118.55 3fxy n ASN 63 Ca -0.16 -0.65 -0.21 0.00 -0.03 0.00 0.00 54.58 53.53 3fxy n ASN 63 Cb 0.57 -3.68 -0.01 0.00 -0.61 0.00 0.00 39.78 36.05 3fxy n ASN 63 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fxy n ASN 64 N -2.65 -5.92 -4.09 6.41 3.02 -1.26 -4.93 115.26 105.83 3fxy n ASN 64 Ca 0.02 -0.04 -0.18 0.00 -0.03 0.00 0.00 54.58 54.34 3fxy n ASN 64 Cb 0.53 -4.91 -0.13 0.00 -0.61 0.00 0.00 39.78 34.66 3fxy n ASN 64 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fxy s GLU 65 N -5.09 0.80 0.36 3.52 2.02 0.14 -2.40 118.70 118.03 3fxy s GLU 65 Ca 0.03 -0.63 -0.27 0.00 0.02 0.00 0.00 54.97 54.11 3fxy s GLU 65 Cb -0.01 -0.76 -0.09 0.00 0.10 0.00 0.00 34.13 33.36 3fxy s GLU 65 CO 0.03 0.19 1.26 -1.50 0.02 0.00 0.00 175.26 175.26 3fxy s ILE 66 N -0.75 2.83 0.11 -1.63 2.07 -1.26 -0.92 121.20 121.65 3fxy s ILE 66 Ca 0.00 0.79 -0.04 0.00 -1.41 0.00 0.00 60.65 59.99 3fxy s ILE 66 Cb -0.07 -3.48 -0.03 0.00 0.13 0.00 0.00 42.46 39.01 3fxy s ILE 66 CO 0.01 0.15 0.11 0.42 -1.91 0.00 0.00 174.94 173.72 3fxy s THR 67 N -1.22 0.13 0.91 4.00 -4.23 -0.79 -4.84 115.64 109.61 3fxy s THR 67 Ca 0.52 -1.64 -0.12 0.00 -1.18 0.00 0.00 61.69 59.27 3fxy s THR 67 Cb -0.37 -1.75 0.14 0.00 1.34 0.00 0.00 72.50 71.86 3fxy s THR 67 CO 0.48 -0.59 1.09 0.42 -0.54 0.00 0.00 174.62 175.49 3fxy s THR 68 N -3.97 2.56 0.00 3.99 -4.23 -1.26 0.29 115.64 113.03 3fxy s THR 68 Ca 0.15 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 3fxy s THR 68 Cb 0.06 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.24 3fxy s THR 68 CO -0.04 -0.24 0.00 2.30 -0.54 0.00 0.00 174.62 176.10 3fxy n ILE 69 N -3.94 0.00 -3.99 2.99 -5.35 -1.26 -4.36 119.36 103.45 3fxy n ILE 69 Ca 0.07 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.20 3fxy n ILE 69 Cb 0.55 -0.17 -0.06 0.00 -1.74 0.00 0.00 39.64 38.23 3fxy n ILE 69 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3fxy s GLU 70 N -1.55 3.30 0.52 6.28 0.41 -1.26 -5.02 118.70 121.39 3fxy s GLU 70 Ca 0.00 -0.31 0.23 0.00 -0.41 0.00 0.00 54.97 54.49 3fxy s GLU 70 Cb 0.00 -3.04 1.34 0.00 -1.78 0.00 0.00 34.13 30.65 3fxy s GLU 70 CO 0.00 0.71 2.01 0.11 -0.49 0.00 0.00 175.26 177.59 3fxy h TRP 71 N 4.41 0.05 -0.33 1.61 5.08 -1.99 -2.01 115.95 122.77 3fxy h TRP 71 Ca -0.51 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.45 3fxy h TRP 71 Cb 1.20 -0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 27.34 3fxy h TRP 71 CO 0.69 0.02 0.00 0.27 -1.28 0.00 0.00 178.44 178.15 3fxy n ASN 72 N -4.40 4.24 -0.34 0.11 6.94 -1.26 -4.72 115.26 115.83 3fxy n ASN 72 Ca 0.09 -3.03 0.03 0.00 -0.02 0.00 0.00 54.58 51.65 3fxy n ASN 72 Cb 0.54 -0.58 0.20 0.00 -2.36 0.00 0.00 39.78 37.58 3fxy n ASN 72 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3fxy h ASP 73 N 2.23 0.99 -0.67 0.53 3.32 -1.78 -1.83 116.42 119.21 3fxy h ASP 73 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3fxy h ASP 73 Cb 1.58 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.89 3fxy h ASP 73 CO 0.29 0.64 0.42 0.58 -1.72 0.00 0.00 179.24 179.45 3fxy h VAL 74 N 1.12 1.18 -0.44 -1.35 2.07 -1.84 0.39 116.25 117.39 3fxy h VAL 74 Ca 0.41 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3fxy h VAL 74 Cb 0.15 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3fxy h VAL 74 CO -0.15 0.19 0.22 0.74 0.02 0.00 0.00 177.57 178.58 3fxy h THR 75 N 0.91 1.17 -0.66 2.57 2.02 -1.77 -2.85 112.91 114.30 3fxy h THR 75 Ca 0.24 -0.48 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 3fxy h THR 75 Cb -0.06 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3fxy h THR 75 CO -0.05 0.19 0.09 -0.07 0.37 0.00 0.00 175.52 176.05 3fxy h LEU 76 N 0.57 1.06 -0.72 2.58 3.38 -0.76 -2.70 115.31 118.71 3fxy h LEU 76 Ca 0.15 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.94 3fxy h LEU 76 Cb 0.10 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3fxy h LEU 76 CO -0.02 1.06 0.40 1.88 0.09 0.00 0.00 178.44 181.85 3fxy h TYR 77 N 1.03 0.73 -0.27 1.13 0.05 -0.15 0.15 116.97 119.63 3fxy h TYR 77 Ca 0.20 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.98 3fxy h TYR 77 Cb 0.46 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 3fxy h TYR 77 CO 0.03 0.32 0.06 0.37 -1.05 0.00 0.00 178.16 177.90 3fxy h GLN 78 N 0.71 0.44 -0.33 4.88 4.15 -1.28 0.11 115.11 123.77 3fxy h GLN 78 Ca 0.34 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 3fxy h GLN 78 Cb 0.27 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3fxy h GLN 78 CO -0.22 0.53 0.09 0.00 -1.93 0.00 0.00 178.83 177.30 3fxy h ALA 79 N 0.89 0.44 0.10 3.38 0.00 -1.24 0.18 119.26 123.00 3fxy h ALA 79 Ca 0.09 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3fxy h ALA 79 Cb 0.29 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3fxy h ALA 79 CO 0.00 0.09 -0.27 0.35 0.00 0.00 0.00 179.25 179.42 3fxy h PHE 80 N 0.38 -0.73 0.00 0.00 3.04 -0.55 -2.65 116.94 116.43 3fxy h PHE 80 Ca 0.11 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 3fxy h PHE 80 Cb 0.28 0.31 -0.00 0.00 2.56 0.00 0.00 35.95 39.10 3fxy h PHE 80 CO 0.01 -0.37 -0.04 -0.91 -2.02 0.00 0.00 178.31 174.98 3fxy h ASN 81 N -0.47 0.00 0.58 0.41 2.35 -0.82 -2.81 115.58 114.82 3fxy h ASN 81 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3fxy h ASN 81 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3fxy h ASN 81 CO -0.17 0.04 0.00 1.23 -1.65 0.00 0.00 177.43 176.88 3fxy h GLY 82 N 3.07 0.00 2.00 2.83 0.00 -0.60 -2.76 103.07 107.61 3fxy h GLY 82 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3fxy h GLY 82 CO 0.01 0.00 -0.12 1.41 0.00 0.00 0.00 176.54 177.83 3fxy h LEU 83 N 0.00 0.00 -0.12 3.11 3.38 -1.30 -2.64 115.31 117.74 3fxy h LEU 83 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fxy h LEU 83 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3fxy h LEU 83 CO 0.00 0.12 0.00 0.29 0.09 0.00 0.00 178.44 178.94 3fxy n LYS 84 N -4.01 0.02 0.26 1.13 5.02 -1.04 -1.43 118.16 118.11 3fxy n LYS 84 Ca -0.02 0.38 0.14 0.00 -2.02 0.00 0.00 58.31 56.79 3fxy n LYS 84 Cb 0.21 -1.55 0.65 0.00 -0.02 0.00 0.00 35.03 34.32 3fxy n LYS 84 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3fxy h ASN 85 N 0.00 0.00 0.00 4.39 2.35 -1.69 -3.26 115.58 117.37 3fxy h ASN 85 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fxy h ASN 85 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3fxy h ASN 85 CO 0.00 0.10 -0.99 0.29 -1.65 0.00 0.00 177.43 175.18 3fxy n LYS 86 N -3.28 1.56 -3.72 0.81 5.02 -0.51 -4.87 118.16 113.17 3fxy n LYS 86 Ca -0.00 -0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 55.98 3fxy n LYS 86 Cb 0.32 -1.26 -0.17 0.00 -0.02 0.00 0.00 35.03 33.90 3fxy n LYS 86 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3fxy s ASN 87 N -2.81 2.76 0.06 4.39 3.84 -1.20 -4.42 114.94 117.56 3fxy s ASN 87 Ca 0.03 -0.76 0.19 0.00 0.21 0.00 0.00 52.86 52.53 3fxy s ASN 87 Cb 0.11 -0.53 0.79 0.00 -0.55 0.00 0.00 41.25 41.07 3fxy s ASN 87 CO 0.63 -0.31 1.60 -1.54 -2.79 0.00 0.00 177.10 174.69 3fxy n SER 88 N 5.09 0.16 -0.11 -4.21 3.41 -0.43 -2.55 113.62 114.99 3fxy n SER 88 Ca -0.09 0.53 0.02 0.00 -0.26 0.00 0.00 58.87 59.08 3fxy n SER 88 Cb 0.48 -0.57 0.01 0.00 -0.26 0.00 0.00 64.21 63.86 3fxy n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fxy n GLN 89 N -1.67 0.70 -1.88 4.33 1.13 -1.26 -5.03 117.38 113.69 3fxy n GLN 89 Ca 0.04 -0.57 -0.42 0.00 -1.94 0.00 0.00 57.00 54.11 3fxy n GLN 89 Cb 0.22 -0.98 -0.02 0.00 0.11 0.00 0.00 30.24 29.56 3fxy n GLN 89 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3fxy s LEU 90 N -0.63 4.37 -0.01 1.08 2.96 -1.06 -4.95 118.68 120.44 3fxy s LEU 90 Ca 0.03 2.79 0.07 0.00 -0.22 0.00 0.00 54.13 56.80 3fxy s LEU 90 Cb 0.03 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 3fxy s LEU 90 CO 0.06 -0.83 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.51 3fxy s LYS 91 N -0.05 1.69 0.06 1.98 1.02 -1.02 -4.93 119.74 118.50 3fxy s LYS 91 Ca 0.64 -0.80 0.07 0.00 0.02 0.00 0.00 55.97 55.91 3fxy s LYS 91 Cb -0.45 -1.66 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 3fxy s LYS 91 CO 0.42 0.45 -0.17 0.95 -0.92 0.00 0.00 175.35 176.08 3fxy s THR 92 N -0.55 2.85 0.07 2.17 -4.23 -1.26 -1.21 115.64 113.49 3fxy s THR 92 Ca 0.08 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.37 3fxy s THR 92 Cb -0.08 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 3fxy s THR 92 CO -0.00 0.27 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.46 3fxy s LEU 93 N -1.66 2.31 -0.22 4.79 1.02 0.13 -0.11 118.68 124.94 3fxy s LEU 93 Ca 0.16 -0.66 -0.10 0.00 0.02 0.00 0.00 54.13 53.55 3fxy s LEU 93 Cb -0.11 -0.39 -0.05 0.00 0.02 0.00 0.00 46.19 45.66 3fxy s LEU 93 CO 0.07 -0.15 0.13 -0.22 0.02 0.00 0.00 176.35 176.20 3fxy s LEU 94 N -1.91 4.03 -0.15 1.79 2.96 -0.46 -0.28 118.68 124.66 3fxy s LEU 94 Ca -0.01 0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.84 3fxy s LEU 94 Cb -0.08 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 3fxy s LEU 94 CO 0.01 0.10 0.40 0.00 -1.32 0.00 0.00 176.35 175.55 3fxy s ALA 95 N 0.84 3.53 -0.15 5.97 0.00 0.15 -0.45 121.76 131.65 3fxy s ALA 95 Ca 0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 3fxy s ALA 95 Cb -0.13 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 3fxy s ALA 95 CO 0.02 -0.06 0.03 -1.50 0.00 0.00 0.00 175.76 174.26 3fxy s ILE 96 N 0.77 4.55 0.00 0.00 2.07 -0.25 -0.35 121.20 127.99 3fxy s ILE 96 Ca 0.21 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.32 3fxy s ILE 96 Cb -0.14 -3.01 0.00 0.00 0.13 0.00 0.00 42.46 39.44 3fxy s ILE 96 CO 0.08 0.50 0.00 0.61 -1.91 0.00 0.00 174.94 174.22 3fxy n GLY 97 N 3.18 0.61 0.00 1.50 0.00 -1.01 -0.65 105.19 108.81 3fxy n GLY 97 Ca -0.17 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3fxy n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fxy n GLY 98 N 0.00 -3.51 0.25 -0.02 0.00 -0.47 -4.50 105.19 96.94 3fxy n GLY 98 Ca 0.00 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 3fxy n GLY 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3fxy h TRP 99 N 0.00 -0.51 -0.51 1.61 2.91 -1.93 -3.25 115.95 114.28 3fxy h TRP 99 Ca 0.00 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 3fxy h TRP 99 Cb 0.00 0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.79 3fxy h TRP 99 CO 0.00 -0.18 0.31 -0.97 -1.03 0.00 0.00 178.44 176.56 3fxy h ASN 100 N -0.89 0.60 -0.92 2.65 -1.24 -1.99 -2.60 115.58 111.20 3fxy h ASN 100 Ca -0.06 -0.03 0.15 0.00 0.71 0.00 0.00 56.30 57.08 3fxy h ASN 100 Cb 0.55 -0.15 -0.08 0.00 0.73 0.00 0.00 38.32 39.38 3fxy h ASN 100 CO 0.09 0.46 0.59 0.15 -1.29 0.00 0.00 177.43 177.43 3fxy h PHE 101 N 0.69 0.88 -0.07 0.67 3.57 -1.78 -3.48 116.94 117.42 3fxy h PHE 101 Ca 0.18 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3fxy h PHE 101 Cb -0.03 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.43 3fxy h PHE 101 CO 0.00 0.31 0.00 0.41 -2.23 0.00 0.00 178.31 176.80 3fxy n GLY 102 N -1.41 -0.33 0.00 2.40 0.00 -0.98 -4.65 105.19 100.21 3fxy n GLY 102 Ca 0.18 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3fxy n GLY 102 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fxy n THR 103 N 0.00 0.00 -0.13 2.61 -2.24 -1.26 -4.59 114.28 108.67 3fxy n THR 103 Ca 0.00 -0.03 -0.05 0.00 -2.27 0.00 0.00 64.05 61.69 3fxy n THR 103 Cb 0.00 0.46 0.03 0.00 -2.10 0.00 0.00 70.33 68.73 3fxy n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fxy h ALA 104 N 0.00 0.51 -0.10 6.98 0.00 -1.92 -0.01 119.26 124.72 3fxy h ALA 104 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3fxy h ALA 104 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fxy h ALA 104 CO 0.00 -0.22 -0.33 -1.35 0.00 0.00 0.00 179.25 177.35 3fxy h PRO 105 N 0.34 0.20 -0.27 0.00 0.11 -1.88 -0.48 132.00 130.02 3fxy h PRO 105 Ca 0.19 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 3fxy h PRO 105 Cb 0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3fxy h PRO 105 CO -0.18 0.52 0.04 0.74 -0.21 0.00 0.00 178.00 178.90 3fxy h PHE 106 N 0.18 0.48 -0.06 0.65 0.04 -1.74 -0.57 116.94 115.91 3fxy h PHE 106 Ca 0.02 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.74 3fxy h PHE 106 Cb 0.68 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 3fxy h PHE 106 CO 0.01 0.56 -0.04 1.15 -0.60 0.00 0.00 178.31 179.40 3fxy h THR 107 N 0.26 0.89 -0.50 -1.55 2.02 -0.74 -1.38 112.91 111.91 3fxy h THR 107 Ca 0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.31 3fxy h THR 107 Cb 0.35 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 3fxy h THR 107 CO 0.01 0.00 0.24 0.00 0.37 0.00 0.00 175.52 176.13 3fxy h ALA 108 N 1.02 0.64 -0.69 6.16 0.00 -1.06 -2.41 119.26 122.92 3fxy h ALA 108 Ca 0.04 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3fxy h ALA 108 Cb 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3fxy h ALA 108 CO -0.08 -0.12 0.15 1.98 0.00 0.00 0.00 179.25 181.18 3fxy h MET 109 N 0.46 1.12 0.00 0.00 -1.53 -0.88 -3.07 114.93 111.04 3fxy h MET 109 Ca 0.23 -0.28 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 3fxy h MET 109 Cb 0.16 -0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.07 3fxy h MET 109 CO -0.18 1.00 -0.21 1.33 0.14 0.00 0.00 176.91 178.99 3fxy n VAL 110 N -4.24 0.11 0.25 -5.77 0.24 -0.54 -2.62 118.33 105.76 3fxy n VAL 110 Ca 0.05 -0.06 0.09 0.00 -2.04 0.00 0.00 64.34 62.38 3fxy n VAL 110 Cb 0.27 -0.25 0.65 0.00 -1.47 0.00 0.00 33.84 33.04 3fxy n VAL 110 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3fxy h SER 111 N 0.00 0.00 -4.65 -1.34 4.64 -1.33 -3.44 113.55 107.43 3fxy h SER 111 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 3fxy h SER 111 Cb 0.55 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.43 3fxy h SER 111 CO 0.00 0.12 -0.75 0.42 -0.87 0.00 0.00 176.83 175.75 3fxy s THR 112 N -4.53 0.69 0.31 2.95 -4.23 -1.26 -5.05 115.64 104.52 3fxy s THR 112 Ca -0.04 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.40 3fxy s THR 112 Cb 0.15 -0.72 0.29 0.00 1.34 0.00 0.00 72.50 73.56 3fxy s THR 112 CO 0.63 -0.31 1.89 -0.65 -0.54 0.00 0.00 174.62 175.64 3fxy h PRO 113 N 4.52 0.93 -0.37 3.99 0.11 -1.90 -2.08 132.00 137.21 3fxy h PRO 113 Ca -0.37 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 3fxy h PRO 113 Cb 1.20 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3fxy h PRO 113 CO 0.41 0.62 0.11 0.93 -0.21 0.00 0.00 178.00 179.86 3fxy h GLU 114 N 0.96 0.57 -0.63 1.05 3.07 -1.97 -0.82 114.58 116.82 3fxy h GLU 114 Ca 0.42 -0.12 -0.06 0.00 -0.50 0.00 0.00 59.36 59.10 3fxy h GLU 114 Cb 0.36 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 3fxy h GLU 114 CO -0.18 0.59 0.15 -0.91 -1.40 0.00 0.00 179.01 177.26 3fxy h ASN 115 N 0.44 0.93 -0.40 1.42 4.21 -1.74 0.33 115.58 120.77 3fxy h ASN 115 Ca 0.12 -0.18 -0.06 0.00 1.21 0.00 0.00 56.30 57.38 3fxy h ASN 115 Cb 0.26 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 3fxy h ASN 115 CO -0.00 0.90 0.02 0.03 -1.29 0.00 0.00 177.43 177.09 3fxy h ARG 116 N 0.94 0.69 -0.66 0.81 3.08 -1.13 -1.65 114.38 116.46 3fxy h ARG 116 Ca 0.20 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3fxy h ARG 116 Cb 0.34 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3fxy h ARG 116 CO 0.00 0.77 0.35 0.37 -1.07 0.00 0.00 179.97 180.39 3fxy h GLN 117 N 0.53 0.94 -0.71 0.04 5.75 -0.89 -0.19 115.11 120.58 3fxy h GLN 117 Ca 0.12 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3fxy h GLN 117 Cb 0.44 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 3fxy h GLN 117 CO 0.02 0.72 0.46 1.15 -2.65 0.00 0.00 178.83 178.53 3fxy h THR 118 N 0.91 1.16 0.24 2.39 2.02 -0.89 -1.57 112.91 117.17 3fxy h THR 118 Ca 0.23 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3fxy h THR 118 Cb 0.07 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 3fxy h THR 118 CO -0.03 0.17 -0.11 0.15 0.37 0.00 0.00 175.52 176.06 3fxy h PHE 119 N 0.93 -0.30 -0.51 3.16 3.57 -0.83 -2.52 116.94 120.45 3fxy h PHE 119 Ca 0.27 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 3fxy h PHE 119 Cb -0.07 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3fxy h PHE 119 CO -0.03 -0.06 0.31 0.82 -2.23 0.00 0.00 178.31 177.13 3fxy h ILE 120 N -0.50 1.15 -0.35 1.41 2.04 -0.98 0.46 117.51 120.75 3fxy h ILE 120 Ca -0.03 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.58 3fxy h ILE 120 Cb 0.37 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 3fxy h ILE 120 CO 0.05 0.15 -0.10 0.74 0.00 0.00 0.00 178.15 178.99 3fxy h THR 121 N 0.68 0.62 -0.79 -0.27 2.02 -1.35 -1.11 112.91 112.71 3fxy h THR 121 Ca 0.18 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 3fxy h THR 121 Cb -0.03 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 3fxy h THR 121 CO -0.04 0.00 0.32 0.77 0.37 0.00 0.00 175.52 176.94 3fxy h SER 122 N -0.02 1.08 0.08 4.18 4.64 -0.92 -2.62 113.55 119.97 3fxy h SER 122 Ca 0.17 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fxy h SER 122 Cb 0.28 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3fxy h SER 122 CO -0.37 0.96 -0.04 0.58 -0.87 0.00 0.00 176.83 177.09 3fxy h VAL 123 N 1.15 1.00 -0.29 0.95 2.07 -0.52 -0.74 116.25 119.86 3fxy h VAL 123 Ca 0.26 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.55 3fxy h VAL 123 Cb 0.21 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 3fxy h VAL 123 CO -0.02 0.07 -0.16 0.40 0.02 0.00 0.00 177.57 177.88 3fxy h ILE 124 N -0.25 0.52 -0.75 4.57 2.04 -1.16 -0.52 117.51 121.97 3fxy h ILE 124 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3fxy h ILE 124 Cb 0.21 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3fxy h ILE 124 CO 0.02 0.00 0.46 0.50 0.00 0.00 0.00 178.15 179.13 3fxy h LYS 125 N -0.13 1.01 -0.02 2.37 3.64 -1.39 -2.22 116.57 119.84 3fxy h LYS 125 Ca 0.15 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3fxy h LYS 125 Cb 0.36 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3fxy h LYS 125 CO -0.37 0.71 -0.01 0.35 -2.27 0.00 0.00 179.45 177.86 3fxy h PHE 126 N 1.02 0.04 -0.80 1.91 3.04 -0.74 -0.71 116.94 120.71 3fxy h PHE 126 Ca 0.27 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.20 3fxy h PHE 126 Cb -0.05 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.41 3fxy h PHE 126 CO -0.01 0.41 0.45 -0.07 -2.02 0.00 0.00 178.31 177.07 3fxy h LEU 127 N -0.34 1.00 -0.31 0.59 3.38 -1.07 -2.16 115.31 116.40 3fxy h LEU 127 Ca 0.00 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 3fxy h LEU 127 Cb 0.40 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3fxy h LEU 127 CO 0.00 0.80 -0.34 0.03 0.09 0.00 0.00 178.44 179.03 3fxy h ARG 128 N 1.11 0.78 -0.54 1.13 2.47 -1.37 0.10 114.38 118.07 3fxy h ARG 128 Ca 0.28 -0.42 0.05 0.00 -1.26 0.00 0.00 59.98 58.64 3fxy h ARG 128 Cb 0.02 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.31 3fxy h ARG 128 CO -0.05 1.05 0.26 0.37 0.56 0.00 0.00 179.97 182.16 3fxy h GLN 129 N 0.55 0.49 -0.03 0.04 4.15 -0.91 -3.05 115.11 116.35 3fxy h GLN 129 Ca 0.05 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3fxy h GLN 129 Cb 0.92 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.50 3fxy h GLN 129 CO 0.08 0.32 -0.07 0.66 -1.93 0.00 0.00 178.83 177.90 3fxy n TYR 130 N -4.89 0.00 -2.94 3.99 4.01 -0.83 -4.99 117.16 111.51 3fxy n TYR 130 Ca 0.05 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.68 3fxy n TYR 130 Cb 0.16 -0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.23 3fxy n TYR 130 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3fxy n GLU 131 N 1.07 -3.86 -3.06 -0.72 1.02 -0.21 -4.76 120.64 110.12 3fxy n GLU 131 Ca 0.14 0.43 -0.30 0.00 -0.02 0.00 0.00 57.16 57.41 3fxy n GLU 131 Cb 0.57 -4.25 -0.04 0.00 -0.02 0.00 0.00 31.44 27.70 3fxy n GLU 131 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3fxy s PHE 132 N -3.17 3.46 -1.83 -0.32 0.08 0.19 -4.88 117.98 111.50 3fxy s PHE 132 Ca 0.18 0.94 0.25 0.00 0.12 0.00 0.00 56.93 58.42 3fxy s PHE 132 Cb -0.08 -2.35 0.40 0.00 -0.57 0.00 0.00 43.02 40.43 3fxy s PHE 132 CO 0.38 0.02 1.35 -0.25 -0.10 0.00 0.00 175.22 176.62 3fxy n ASP 133 N -0.99 1.43 0.00 1.36 8.00 0.84 -4.59 116.55 122.60 3fxy n ASP 133 Ca 0.01 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3fxy n ASP 133 Cb 0.54 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 3fxy n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fxy n GLY 134 N 1.38 -0.56 3.28 0.44 0.00 -1.06 -0.67 105.19 108.01 3fxy n GLY 134 Ca 0.11 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 3fxy n GLY 134 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fxy s LEU 135 N 0.00 2.23 -0.25 0.99 2.96 -0.25 -1.35 118.68 123.01 3fxy s LEU 135 Ca 0.00 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 3fxy s LEU 135 Cb 0.00 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 3fxy s LEU 135 CO 0.00 0.21 0.03 -0.62 -1.32 0.00 0.00 176.35 174.66 3fxy s ASP 136 N 0.04 4.86 -0.09 3.68 2.15 0.40 -0.84 116.67 126.87 3fxy s ASP 136 Ca -0.09 -0.36 -0.30 0.00 0.43 0.00 0.00 52.55 52.24 3fxy s ASP 136 Cb -0.15 -1.85 -0.02 0.00 -0.30 0.00 0.00 42.92 40.59 3fxy s ASP 136 CO 0.06 -0.06 1.10 -0.36 -0.17 0.00 0.00 175.17 175.74 3fxy s PHE 137 N 1.55 3.35 -0.42 -5.34 0.40 0.13 -1.09 117.98 116.56 3fxy s PHE 137 Ca 0.05 1.41 0.06 0.00 -0.60 0.00 0.00 56.93 57.86 3fxy s PHE 137 Cb -0.15 -3.30 0.43 0.00 0.51 0.00 0.00 43.02 40.50 3fxy s PHE 137 CO 0.01 -0.74 1.10 -0.25 0.70 0.00 0.00 175.22 176.04 3fxy n ASP 138 N 5.21 4.47 -4.63 1.36 8.00 0.17 -0.52 116.55 130.61 3fxy n ASP 138 Ca 0.10 -3.64 -0.43 0.00 0.71 0.00 0.00 54.79 51.54 3fxy n ASP 138 Cb 0.47 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 3fxy n ASP 138 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3fxy s TRP 139 N -3.52 2.63 -0.54 1.24 -0.11 -1.26 -1.37 118.94 116.01 3fxy s TRP 139 Ca 0.47 0.84 0.03 0.00 1.22 0.00 0.00 56.10 58.65 3fxy s TRP 139 Cb 0.40 -3.93 0.14 0.00 -1.50 0.00 0.00 33.47 28.58 3fxy s TRP 139 CO -0.15 -1.82 0.29 -1.21 -4.62 0.00 0.00 176.95 169.44 3fxy s GLU 140 N 4.23 2.08 0.13 5.86 2.02 -1.26 -4.15 118.70 127.62 3fxy s GLU 140 Ca 0.58 -2.62 -0.00 0.00 0.02 0.00 0.00 54.97 52.94 3fxy s GLU 140 Cb -0.17 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 3fxy s GLU 140 CO 0.24 -1.12 0.04 0.71 0.02 0.00 0.00 175.26 175.15 3fxy s TYR 141 N -0.28 0.92 0.34 1.61 1.51 -1.25 -4.72 117.35 115.48 3fxy s TYR 141 Ca 0.17 -1.18 -0.29 0.00 -1.01 0.00 0.00 57.07 54.77 3fxy s TYR 141 Cb -0.25 -0.52 -0.11 0.00 -0.11 0.00 0.00 41.96 40.97 3fxy s TYR 141 CO -0.01 -0.44 1.46 -2.14 -1.11 0.00 0.00 175.55 173.31 3fxy s PRO 142 N -4.01 4.19 0.00 -1.71 0.02 -1.26 -2.86 135.00 129.37 3fxy s PRO 142 Ca 0.23 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.71 3fxy s PRO 142 Cb 0.07 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.57 3fxy s PRO 142 CO 0.01 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 3fxy n GLY 143 N 1.06 0.48 3.23 0.52 0.00 -1.25 -3.85 105.19 105.38 3fxy n GLY 143 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3fxy n GLY 143 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fxy s SER 144 N -2.40 0.77 -1.43 1.61 0.01 -1.13 -4.80 113.70 106.33 3fxy s SER 144 Ca 0.00 -1.28 -0.10 0.00 1.31 0.00 0.00 55.95 55.88 3fxy s SER 144 Cb 0.00 0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.50 3fxy s SER 144 CO 0.00 -0.71 1.02 -1.14 0.41 0.00 0.00 173.24 172.82 3fxy n ARG 145 N -0.27 -6.34 0.00 12.44 0.63 -1.26 -1.81 116.66 120.05 3fxy n ARG 145 Ca -0.03 0.69 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 3fxy n ARG 145 Cb 0.65 -5.61 0.00 0.00 0.45 0.00 0.00 32.46 27.95 3fxy n ARG 145 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3fxy n GLY 146 N -1.75 3.06 3.71 5.14 0.00 -1.26 -4.55 105.19 109.54 3fxy n GLY 146 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3fxy n GLY 146 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fxy s SER 147 N -1.21 7.26 0.76 1.61 0.15 -0.75 -4.95 113.70 116.56 3fxy s SER 147 Ca 0.00 1.74 -0.11 0.00 0.70 0.00 0.00 55.95 58.28 3fxy s SER 147 Cb 0.00 -2.57 0.05 0.00 -1.71 0.00 0.00 66.02 61.79 3fxy s SER 147 CO 0.00 -0.36 1.09 -2.16 1.20 0.00 0.00 173.24 173.02 3fxy s PRO 148 N 1.25 2.33 0.55 5.44 0.04 -1.26 -3.41 135.00 139.93 3fxy s PRO 148 Ca 0.53 1.20 0.22 0.00 0.04 0.00 0.00 61.00 63.00 3fxy s PRO 148 Cb -0.23 -1.90 1.51 0.00 0.04 0.00 0.00 34.50 33.91 3fxy s PRO 148 CO 0.26 -1.59 2.18 -1.35 0.04 0.00 0.00 177.00 176.54 3fxy h PRO 149 N -0.97 0.00 0.00 0.56 0.11 -1.94 -1.82 132.00 127.94 3fxy h PRO 149 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fxy h PRO 149 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3fxy h PRO 149 CO 0.52 0.00 0.00 -0.56 -0.21 0.00 0.00 178.00 177.75 3fxy h GLN 150 N 0.00 0.00 0.00 1.05 -0.00 -1.96 -2.94 115.11 111.26 3fxy h GLN 150 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.65 3fxy h GLN 150 Cb 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.57 3fxy h GLN 150 CO -0.00 0.00 -0.08 -0.44 -0.00 0.00 0.00 178.83 178.31 3fxy h ASP 151 N 0.00 0.00 0.25 0.06 3.32 -1.69 -2.30 116.42 116.05 3fxy h ASP 151 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3fxy h ASP 151 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 3fxy h ASP 151 CO 0.00 0.08 -0.15 0.50 -1.72 0.00 0.00 179.24 177.94 3fxy h LYS 152 N 0.00 -0.38 -0.09 3.56 3.64 -1.72 -1.04 116.57 120.55 3fxy h LYS 152 Ca -0.00 0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.21 3fxy h LYS 152 Cb 0.45 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3fxy h LYS 152 CO 0.01 -0.25 -0.77 1.25 -2.27 0.00 0.00 179.45 177.42 3fxy h HIS 153 N -0.39 0.70 0.00 1.91 2.76 -1.74 -3.25 115.15 115.13 3fxy h HIS 153 Ca -0.02 -0.32 -0.06 0.00 -2.20 0.00 0.00 60.37 57.77 3fxy h HIS 153 Cb 0.33 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3fxy h HIS 153 CO -0.09 1.10 -0.28 -0.07 -1.30 0.00 0.00 177.93 177.29 3fxy h LEU 154 N 0.34 0.00 -0.58 0.26 3.38 -1.37 -2.09 115.31 115.26 3fxy h LEU 154 Ca -0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3fxy h LEU 154 Cb 1.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 3fxy h LEU 154 CO 0.14 0.28 0.09 0.15 0.09 0.00 0.00 178.44 179.20 3fxy h PHE 155 N 0.00 1.03 -0.46 1.13 3.57 -1.22 -0.50 116.94 120.48 3fxy h PHE 155 Ca -0.00 -0.14 0.04 0.00 3.53 0.00 0.00 57.97 61.39 3fxy h PHE 155 Cb 0.60 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 3fxy h PHE 155 CO 0.00 0.89 0.23 1.15 -2.23 0.00 0.00 178.31 178.35 3fxy h THR 156 N 0.87 0.96 -0.35 4.41 2.02 -1.45 -1.78 112.91 117.58 3fxy h THR 156 Ca 0.18 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 3fxy h THR 156 Cb 0.42 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3fxy h THR 156 CO 0.01 0.08 0.09 0.58 0.37 0.00 0.00 175.52 176.65 3fxy h VAL 157 N 0.45 1.22 -0.49 3.16 2.07 -1.21 -0.55 116.25 120.90 3fxy h VAL 157 Ca 0.20 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 67.04 3fxy h VAL 157 Cb 0.12 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3fxy h VAL 157 CO -0.15 0.25 0.21 0.25 0.02 0.00 0.00 177.57 178.15 3fxy h LEU 158 N 0.42 0.25 -0.42 2.57 5.85 -0.97 -1.44 115.31 121.57 3fxy h LEU 158 Ca 0.11 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 3fxy h LEU 158 Cb 0.29 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3fxy h LEU 158 CO 0.00 0.18 -0.13 0.58 -0.34 0.00 0.00 178.44 178.73 3fxy h VAL 159 N 0.41 1.28 -0.20 1.05 2.07 -1.06 -0.42 116.25 119.38 3fxy h VAL 159 Ca 0.23 -1.24 0.06 0.00 0.82 0.00 0.00 66.70 66.56 3fxy h VAL 159 Cb 0.20 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 3fxy h VAL 159 CO -0.20 0.42 -0.28 -0.61 0.02 0.00 0.00 177.57 176.92 3fxy h GLN 160 N 0.65 -0.30 -0.71 1.57 4.15 -0.95 -0.08 115.11 119.45 3fxy h GLN 160 Ca 0.10 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 3fxy h GLN 160 Cb 0.67 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.40 3fxy h GLN 160 CO 0.05 -0.20 0.17 0.93 -1.93 0.00 0.00 178.83 177.85 3fxy h GLU 161 N -0.31 1.13 0.06 1.69 5.08 -1.10 -1.84 114.58 119.29 3fxy h GLU 161 Ca 0.12 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3fxy h GLU 161 Cb 0.50 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3fxy h GLU 161 CO -0.37 0.99 -0.03 1.98 -1.00 0.00 0.00 179.01 180.58 3fxy h MET 162 N 1.07 -0.07 -0.66 2.33 4.05 -0.83 -1.30 114.93 119.52 3fxy h MET 162 Ca 0.22 0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.77 3fxy h MET 162 Cb 0.37 0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 31.10 3fxy h MET 162 CO 0.00 0.14 0.20 -0.09 0.23 0.00 0.00 176.91 177.40 3fxy h ARG 163 N -0.28 0.34 -0.60 0.39 9.65 -0.93 0.37 114.38 123.32 3fxy h ARG 163 Ca -0.01 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.81 3fxy h ARG 163 Cb 0.25 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 3fxy h ARG 163 CO 0.01 0.22 0.21 0.93 2.80 0.00 0.00 179.97 184.14 3fxy h GLU 164 N 0.35 0.92 -0.49 0.20 5.08 -1.22 -0.29 114.58 119.12 3fxy h GLU 164 Ca 0.35 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3fxy h GLU 164 Cb 0.51 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3fxy h GLU 164 CO -0.39 0.81 -0.01 0.00 -1.00 0.00 0.00 179.01 178.42 3fxy h ALA 165 N 1.07 0.67 -0.44 3.43 0.00 -0.69 -1.61 119.26 121.68 3fxy h ALA 165 Ca 0.20 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3fxy h ALA 165 Cb 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3fxy h ALA 165 CO -0.01 0.49 0.21 0.74 0.00 0.00 0.00 179.25 180.68 3fxy h PHE 166 N 0.74 0.39 -0.62 0.00 -1.00 -0.79 -0.44 116.94 115.22 3fxy h PHE 166 Ca 0.14 0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.98 3fxy h PHE 166 Cb 0.53 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 39.93 3fxy h PHE 166 CO 0.04 0.19 0.35 0.93 -1.61 0.00 0.00 178.31 178.21 3fxy h GLU 167 N 0.42 0.64 -0.15 1.51 4.39 -0.83 -1.95 114.58 118.63 3fxy h GLU 167 Ca 0.19 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.72 3fxy h GLU 167 Cb 0.11 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3fxy h GLU 167 CO -0.14 0.42 -0.43 1.96 -1.16 0.00 0.00 179.01 179.66 3fxy h GLN 168 N 0.66 0.55 -0.53 2.33 1.08 -1.04 -3.19 115.11 114.97 3fxy h GLN 168 Ca 0.27 -0.40 0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3fxy h GLN 168 Cb 0.13 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 3fxy h GLN 168 CO -0.16 1.02 0.35 1.49 -0.95 0.00 0.00 178.83 180.58 3fxy h GLU 169 N 0.18 0.68 -0.29 1.46 4.22 -1.00 -0.88 114.58 118.94 3fxy h GLU 169 Ca -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.38 3fxy h GLU 169 Cb 1.05 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3fxy h GLU 169 CO 0.09 0.45 0.14 0.00 -2.18 0.00 0.00 179.01 177.51 3fxy h ALA 170 N 1.67 0.37 -0.54 2.92 0.00 -1.34 -0.07 119.26 122.28 3fxy h ALA 170 Ca 0.20 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3fxy h ALA 170 Cb -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3fxy h ALA 170 CO -0.04 -0.07 -0.03 0.87 0.00 0.00 0.00 179.25 179.97 3fxy h LYS 171 N 0.34 0.95 0.31 0.00 1.79 -1.49 -1.71 116.57 116.74 3fxy h LYS 171 Ca 0.10 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 3fxy h LYS 171 Cb 0.11 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 3fxy h LYS 171 CO -0.01 0.96 -0.22 0.37 -1.08 0.00 0.00 179.45 179.46 3fxy h GLN 172 N 0.86 -0.51 -0.48 3.15 4.15 -0.76 -3.24 115.11 118.28 3fxy h GLN 172 Ca 0.15 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.61 3fxy h GLN 172 Cb 0.56 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.36 3fxy h GLN 172 CO 0.03 -0.34 0.00 0.44 -1.93 0.00 0.00 178.83 177.03 3fxy n ILE 173 N -5.35 0.62 -3.56 2.39 -5.35 -0.07 -4.97 119.36 103.07 3fxy n ILE 173 Ca -0.09 -0.78 -0.23 0.00 -0.27 0.00 0.00 62.75 61.38 3fxy n ILE 173 Cb 0.26 0.77 0.08 0.00 -1.74 0.00 0.00 39.64 39.01 3fxy n ILE 173 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3fxy n ASN 174 N 1.43 -5.73 -4.28 7.28 3.02 -0.69 -5.03 115.26 111.27 3fxy n ASN 174 Ca 0.20 -0.54 -0.16 0.00 -0.03 0.00 0.00 54.58 54.06 3fxy n ASN 174 Cb 0.58 -4.97 -0.10 0.00 -0.61 0.00 0.00 39.78 34.68 3fxy n ASN 174 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3fxy s LYS 175 N -6.16 1.14 0.42 3.52 1.02 -0.95 -5.06 119.74 113.67 3fxy s LYS 175 Ca 0.50 -1.48 -0.25 0.00 0.02 0.00 0.00 55.97 54.76 3fxy s LYS 175 Cb -0.22 -0.80 -0.10 0.00 -0.52 0.00 0.00 37.83 36.19 3fxy s LYS 175 CO 0.72 0.12 1.10 -2.30 -0.92 0.00 0.00 175.35 174.07 3fxy n PRO 176 N -0.21 1.54 -1.90 -1.68 -0.02 -1.26 -4.58 135.00 126.89 3fxy n PRO 176 Ca -0.10 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 3fxy n PRO 176 Cb 0.60 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 3fxy n PRO 176 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3fxy s ARG 177 N -2.09 4.19 0.38 -0.52 3.52 -1.26 -4.89 118.95 118.28 3fxy s ARG 177 Ca 0.63 2.45 -0.28 0.00 -0.13 0.00 0.00 55.73 58.41 3fxy s ARG 177 Cb -0.54 -3.02 -0.10 0.00 -1.56 0.00 0.00 34.95 29.73 3fxy s ARG 177 CO 0.57 -0.45 1.39 -0.51 -0.81 0.00 0.00 175.30 175.49 3fxy s LEU 178 N -1.56 4.31 0.32 -0.88 1.43 -1.26 -4.99 118.68 116.06 3fxy s LEU 178 Ca 0.54 2.85 -0.19 0.00 -1.03 0.00 0.00 54.13 56.30 3fxy s LEU 178 Cb -0.45 -3.74 -0.09 0.00 0.03 0.00 0.00 46.19 41.94 3fxy s LEU 178 CO 0.56 -0.80 0.81 -0.04 0.23 0.00 0.00 176.35 177.11 3fxy s MET 179 N -2.07 4.18 -0.15 1.70 -1.94 0.16 -4.88 119.30 116.30 3fxy s MET 179 Ca 0.53 0.90 0.00 0.00 -1.71 0.00 0.00 55.69 55.41 3fxy s MET 179 Cb -0.42 -2.52 0.03 0.00 2.01 0.00 0.00 34.83 33.92 3fxy s MET 179 CO 0.57 0.18 -0.10 0.54 -0.01 0.00 0.00 175.02 176.20 3fxy s VAL 180 N -1.88 1.34 0.38 -6.03 0.11 -1.26 -1.10 120.40 111.97 3fxy s VAL 180 Ca 0.53 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 59.04 3fxy s VAL 180 Cb -0.12 -1.35 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 3fxy s VAL 180 CO 0.18 0.34 0.08 0.42 -3.33 0.00 0.00 175.10 172.79 3fxy s THR 181 N 1.56 0.96 -0.13 5.04 -4.23 -0.02 -0.80 115.64 118.03 3fxy s THR 181 Ca 0.03 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.44 3fxy s THR 181 Cb -0.14 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.20 3fxy s THR 181 CO -0.09 0.00 0.34 0.00 -0.54 0.00 0.00 174.62 174.33 3fxy s ALA 182 N -3.19 -0.84 -0.04 3.99 0.00 -1.13 -0.70 121.76 119.84 3fxy s ALA 182 Ca 0.28 1.05 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 3fxy s ALA 182 Cb 0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 3fxy s ALA 182 CO 0.14 -0.18 0.81 0.00 0.00 0.00 0.00 175.76 176.52 3fxy s ALA 183 N 0.48 3.27 0.20 0.00 0.00 0.32 -0.27 121.76 125.76 3fxy s ALA 183 Ca -0.02 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.29 3fxy s ALA 183 Cb -0.04 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 3fxy s ALA 183 CO -0.03 -0.15 -0.11 0.14 0.00 0.00 0.00 175.76 175.62 3fxy s VAL 184 N 0.88 1.50 0.55 0.00 -7.23 0.13 -4.60 120.40 111.62 3fxy s VAL 184 Ca 0.43 -2.14 -0.21 0.00 -1.81 0.00 0.00 61.98 58.25 3fxy s VAL 184 Cb -0.19 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 3fxy s VAL 184 CO 0.22 -0.58 1.28 0.00 -0.31 0.00 0.00 175.10 175.72 3fxy s ALA 185 N -3.12 2.76 -0.03 1.32 0.00 -1.26 -1.56 121.76 119.87 3fxy s ALA 185 Ca 0.22 1.18 0.20 0.00 0.00 0.00 0.00 51.96 53.56 3fxy s ALA 185 Cb 0.01 -3.51 -0.31 0.00 0.00 0.00 0.00 23.12 19.32 3fxy s ALA 185 CO 0.06 -1.21 0.43 0.00 0.00 0.00 0.00 175.76 175.04 3fxy n ALA 186 N -1.10 2.72 -2.37 0.00 0.00 -1.26 -4.63 120.51 113.87 3fxy n ALA 186 Ca 0.11 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 3fxy n ALA 186 Cb 0.47 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 3fxy n ALA 186 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3fxy s GLY 187 N -4.27 2.29 0.13 0.00 0.00 -1.26 -4.88 107.32 99.32 3fxy s GLY 187 Ca -0.07 0.88 -0.17 0.00 0.00 0.00 0.00 44.72 45.35 3fxy s GLY 187 CO 0.82 2.12 1.72 -2.22 0.00 0.00 0.00 173.10 175.54 3fxy h ILE 188 N 4.53 1.15 -0.43 0.90 1.08 -1.93 -0.23 117.51 122.59 3fxy h ILE 188 Ca -0.41 -0.43 -0.04 0.00 -0.39 0.00 0.00 64.86 63.60 3fxy h ILE 188 Cb 1.21 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 3fxy h ILE 188 CO 0.83 0.16 0.10 0.77 -0.69 0.00 0.00 178.15 179.32 3fxy h SER 189 N 0.44 0.58 -0.15 1.72 4.64 -2.00 -1.62 113.55 117.18 3fxy h SER 189 Ca 0.12 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 3fxy h SER 189 Cb 0.09 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3fxy h SER 189 CO -0.02 0.59 -0.35 0.78 -0.87 0.00 0.00 176.83 176.96 3fxy h ASN 190 N 0.62 0.69 -0.59 4.97 2.35 -1.82 -2.02 115.58 119.77 3fxy h ASN 190 Ca 0.14 -0.29 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 3fxy h ASN 190 Cb 0.24 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3fxy h ASN 190 CO -0.00 0.97 0.21 0.40 -1.65 0.00 0.00 177.43 177.36 3fxy h ILE 191 N 0.55 1.23 -0.46 2.81 2.04 -0.65 -1.00 117.51 122.03 3fxy h ILE 191 Ca 0.06 -0.76 -0.13 0.00 1.00 0.00 0.00 64.86 65.03 3fxy h ILE 191 Cb 0.86 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3fxy h ILE 191 CO 0.07 0.29 -0.21 1.56 0.00 0.00 0.00 178.15 179.87 3fxy h GLN 192 N 0.83 0.93 0.00 2.37 4.20 -1.16 -2.56 115.11 119.72 3fxy h GLN 192 Ca 0.19 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.52 3fxy h GLN 192 Cb 0.24 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3fxy h GLN 192 CO -0.01 1.05 -0.23 -1.13 -0.67 0.00 0.00 178.83 177.83 3fxy n SER 193 N -4.11 0.30 -0.11 1.46 3.41 -0.77 -4.51 113.62 109.28 3fxy n SER 193 Ca 0.00 0.20 -0.14 0.00 -0.26 0.00 0.00 58.87 58.67 3fxy n SER 193 Cb 0.45 -0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 64.09 3fxy n SER 193 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fxy n GLY 194 N 1.47 -0.49 3.00 5.00 0.00 -0.38 -4.21 105.19 109.58 3fxy n GLY 194 Ca 0.06 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 3fxy n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fxy s TYR 195 N -2.46 0.70 -0.93 1.61 1.51 -0.99 -4.45 117.35 112.35 3fxy s TYR 195 Ca -0.25 -0.13 -0.15 0.00 -1.01 0.00 0.00 57.07 55.53 3fxy s TYR 195 Cb 0.07 -0.45 0.19 0.00 -0.11 0.00 0.00 41.96 41.67 3fxy s TYR 195 CO 0.60 -0.01 0.98 -1.21 -1.11 0.00 0.00 175.55 174.80 3fxy s GLU 196 N -0.19 3.71 0.08 -0.62 2.02 -1.26 -4.84 118.70 117.60 3fxy s GLU 196 Ca 0.03 -2.33 -0.27 0.00 0.02 0.00 0.00 54.97 52.43 3fxy s GLU 196 Cb -0.03 -4.66 -0.16 0.00 0.10 0.00 0.00 34.13 29.38 3fxy s GLU 196 CO -0.00 -1.49 1.70 0.82 0.02 0.00 0.00 175.26 176.31 3fxy h ILE 197 N 4.99 0.75 -0.37 -1.63 2.04 -1.94 -0.58 117.51 120.77 3fxy h ILE 197 Ca 0.15 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.08 3fxy h ILE 197 Cb 1.00 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.76 3fxy h ILE 197 CO 0.94 0.00 -0.10 -0.65 0.00 0.00 0.00 178.15 178.34 3fxy h PRO 198 N -0.33 -0.01 -0.07 2.37 0.11 -1.76 -1.42 132.00 130.90 3fxy h PRO 198 Ca -0.03 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.90 3fxy h PRO 198 Cb 0.26 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.38 3fxy h PRO 198 CO 0.04 -0.00 -0.68 0.37 -0.21 0.00 0.00 178.00 177.52 3fxy h GLN 199 N -0.01 0.58 -1.00 1.05 5.75 -1.88 -3.24 115.11 116.37 3fxy h GLN 199 Ca 0.18 -0.54 0.03 0.00 -0.15 0.00 0.00 58.65 58.17 3fxy h GLN 199 Cb 0.27 0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.90 3fxy h GLN 199 CO -0.38 1.16 0.66 1.25 -2.65 0.00 0.00 178.83 178.86 3fxy h LEU 200 N 0.19 1.11 -1.91 -2.39 5.85 -1.08 -2.45 115.31 114.63 3fxy h LEU 200 Ca -0.07 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3fxy h LEU 200 Cb 1.34 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3fxy h LEU 200 CO 0.14 0.77 0.00 0.28 -0.34 0.00 0.00 178.44 179.29 3fxy h SER 201 N 1.29 0.00 1.30 1.25 0.02 -1.28 -1.94 113.55 114.19 3fxy h SER 201 Ca 0.39 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.29 3fxy h SER 201 Cb -0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3fxy h SER 201 CO -0.11 0.00 -0.19 1.56 -1.14 0.00 0.00 176.83 176.95 3fxy h GLN 202 N 0.00 0.00 0.00 3.45 1.08 -1.48 -3.36 115.11 114.80 3fxy h GLN 202 Ca 0.00 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.86 3fxy h GLN 202 Cb 0.31 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 3fxy h GLN 202 CO 0.00 0.19 -2.28 0.66 -0.95 0.00 0.00 178.83 176.46 3fxy n TYR 203 N -3.24 0.00 -2.30 2.96 0.53 -0.78 -4.96 117.16 109.37 3fxy n TYR 203 Ca 0.01 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.49 3fxy n TYR 203 Cb 0.50 -0.88 -0.03 0.00 -1.03 0.00 0.00 39.34 37.90 3fxy n TYR 203 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3fxy s LEU 204 N -6.06 4.48 -0.00 7.72 1.43 -0.90 -4.89 118.68 120.46 3fxy s LEU 204 Ca -0.25 2.43 -0.21 0.00 -1.03 0.00 0.00 54.13 55.08 3fxy s LEU 204 Cb 0.07 -3.63 -0.22 0.00 0.03 0.00 0.00 46.19 42.44 3fxy s LEU 204 CO 0.58 -0.35 1.12 0.44 0.23 0.00 0.00 176.35 178.37 3fxy h ASP 205 N 3.97 0.42 -5.03 2.29 3.32 -1.30 -3.47 116.42 116.63 3fxy h ASP 205 Ca -0.47 -0.72 -0.16 0.00 0.02 0.00 0.00 57.03 55.71 3fxy h ASP 205 Cb 1.22 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.44 3fxy h ASP 205 CO 0.68 1.08 -0.66 -0.31 -1.72 0.00 0.00 179.24 178.31 3fxy s TYR 206 N -3.38 0.27 -0.25 4.55 1.51 -1.26 -4.77 117.35 114.03 3fxy s TYR 206 Ca -0.14 -0.57 0.03 0.00 -1.01 0.00 0.00 57.07 55.38 3fxy s TYR 206 Cb 0.03 -0.20 0.05 0.00 -0.11 0.00 0.00 41.96 41.74 3fxy s TYR 206 CO 0.79 -0.25 -0.12 0.42 -1.11 0.00 0.00 175.55 175.28 3fxy s ILE 207 N -1.95 2.11 -0.67 2.71 1.01 0.52 -2.85 121.20 122.08 3fxy s ILE 207 Ca -0.11 -1.52 -0.19 0.00 0.00 0.00 0.00 60.65 58.82 3fxy s ILE 207 Cb -0.06 -2.19 0.11 0.00 0.01 0.00 0.00 42.46 40.33 3fxy s ILE 207 CO -0.02 0.04 0.81 -1.00 0.00 0.00 0.00 174.94 174.77 3fxy s HIS 208 N 1.14 3.02 -0.09 3.97 3.76 0.63 -1.01 115.29 126.72 3fxy s HIS 208 Ca -0.07 -1.04 -0.30 0.00 -0.15 0.00 0.00 55.06 53.50 3fxy s HIS 208 Cb -0.19 -4.08 -0.01 0.00 1.11 0.00 0.00 32.58 29.40 3fxy s HIS 208 CO -0.06 -1.36 1.01 0.08 -0.85 0.00 0.00 174.74 173.56 3fxy s VAL 209 N 2.70 4.78 -1.45 -0.90 1.01 -0.88 -0.69 120.40 124.98 3fxy s VAL 209 Ca 0.17 2.04 -0.10 0.00 0.00 0.00 0.00 61.98 64.08 3fxy s VAL 209 Cb -0.19 -4.31 0.04 0.00 0.00 0.00 0.00 36.38 31.92 3fxy s VAL 209 CO 0.03 0.02 2.43 0.23 0.00 0.00 0.00 175.10 177.81 3fxy n MET 210 N 4.91 3.67 -0.94 2.72 2.81 -0.60 -2.18 117.12 127.50 3fxy n MET 210 Ca 0.09 -2.85 -0.25 0.00 -1.81 0.00 0.00 57.70 52.87 3fxy n MET 210 Cb 0.49 -2.91 -0.05 0.00 -0.71 0.00 0.00 33.22 30.04 3fxy n MET 210 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3fxy n THR 211 N 3.51 3.06 -4.00 2.03 -2.24 -1.26 -4.34 114.28 111.04 3fxy n THR 211 Ca 0.60 -1.78 -0.12 0.00 -2.27 0.00 0.00 64.05 60.49 3fxy n THR 211 Cb 0.30 -2.24 -0.03 0.00 -2.10 0.00 0.00 70.33 66.26 3fxy n THR 211 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3fxy s TYR 212 N 2.53 0.69 -1.54 4.78 -0.85 -1.26 -4.70 117.35 117.00 3fxy s TYR 212 Ca 0.53 -1.06 -0.02 0.00 -0.52 0.00 0.00 57.07 56.00 3fxy s TYR 212 Cb 0.16 0.21 0.01 0.00 0.38 0.00 0.00 41.96 42.72 3fxy s TYR 212 CO -0.04 -1.23 0.15 -0.25 -1.52 0.00 0.00 175.55 172.67 3fxy n ASP 213 N -1.24 -5.36 0.22 -0.18 8.00 -0.99 -4.88 116.55 112.11 3fxy n ASP 213 Ca -0.02 -0.05 0.11 0.00 0.71 0.00 0.00 54.79 55.55 3fxy n ASP 213 Cb 0.61 -4.45 0.32 0.00 -0.02 0.00 0.00 41.12 37.58 3fxy n ASP 213 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fxy h LEU 214 N -0.34 0.00 -8.10 0.64 3.38 -1.42 -3.44 115.31 106.02 3fxy h LEU 214 Ca -0.45 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 3fxy h LEU 214 Cb 1.33 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.92 3fxy h LEU 214 CO 0.52 0.12 -0.62 -1.00 0.09 0.00 0.00 178.44 177.56 3fxy s HIS 215 N -3.36 0.39 0.00 1.13 3.76 -1.14 -4.95 115.29 111.12 3fxy s HIS 215 Ca 0.04 -0.85 -0.29 0.00 -0.15 0.00 0.00 55.06 53.81 3fxy s HIS 215 Cb 0.07 -0.29 0.10 0.00 1.11 0.00 0.00 32.58 33.58 3fxy s HIS 215 CO 0.65 -0.37 1.26 0.20 -0.85 0.00 0.00 174.74 175.63 3fxy s GLY 216 N -2.60 -0.21 0.63 -2.22 0.00 -1.26 -4.49 107.32 97.17 3fxy s GLY 216 Ca 0.02 0.23 0.37 0.00 0.00 0.00 0.00 44.72 45.35 3fxy s GLY 216 CO -0.08 3.40 2.32 1.48 0.00 0.00 0.00 173.10 180.22 3fxy h SER 217 N 2.00 0.00 0.00 1.64 4.64 -1.84 -1.83 113.55 118.16 3fxy h SER 217 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3fxy h SER 217 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3fxy h SER 217 CO 0.31 0.00 0.23 4.11 -0.87 0.00 0.00 176.83 180.61 3fxy h TRP 218 N 0.00 0.00 0.00 4.77 0.09 -1.95 -1.53 115.95 117.32 3fxy h TRP 218 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3fxy h TRP 218 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.24 3fxy h TRP 218 CO 0.00 0.00 -0.57 0.93 0.09 0.00 0.00 178.44 178.89 3fxy h GLU 219 N 0.00 0.00 0.00 0.12 5.08 -1.76 -3.48 114.58 114.55 3fxy h GLU 219 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fxy h GLU 219 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3fxy h GLU 219 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3fxy n GLY 220 N 1.26 0.63 3.27 -3.84 0.00 -0.58 -5.03 105.19 100.91 3fxy n GLY 220 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3fxy n GLY 220 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3fxy s TYR 221 N -2.20 -0.07 0.48 1.61 -0.85 -1.26 -1.72 117.35 113.34 3fxy s TYR 221 Ca 0.00 -0.24 -0.24 0.00 -0.52 0.00 0.00 57.07 56.08 3fxy s TYR 221 Cb 0.00 0.12 -0.07 0.00 0.38 0.00 0.00 41.96 42.39 3fxy s TYR 221 CO 0.00 -0.61 1.32 0.95 -1.52 0.00 0.00 175.55 175.69 3fxy s THR 222 N -3.53 2.42 0.01 -3.49 -4.23 0.07 -4.72 115.64 102.18 3fxy s THR 222 Ca 0.02 0.34 -0.28 0.00 -1.18 0.00 0.00 61.69 60.58 3fxy s THR 222 Cb 0.02 -3.18 0.10 0.00 1.34 0.00 0.00 72.50 70.78 3fxy s THR 222 CO -0.10 0.02 0.84 -0.83 -0.54 0.00 0.00 174.62 174.01 3fxy s GLY 223 N -0.91 -0.48 0.18 3.99 0.00 -1.26 -1.55 107.32 107.29 3fxy s GLY 223 Ca 0.65 1.00 -0.18 0.00 0.00 0.00 0.00 44.72 46.19 3fxy s GLY 223 CO 0.47 0.38 0.65 -0.54 0.00 0.00 0.00 173.10 174.06 3fxy s GLU 224 N -3.02 4.18 0.10 2.90 0.41 -1.26 -4.58 118.70 117.42 3fxy s GLU 224 Ca 0.03 0.75 -0.19 0.00 -0.41 0.00 0.00 54.97 55.15 3fxy s GLU 224 Cb -0.01 -2.96 -0.07 0.00 -1.78 0.00 0.00 34.13 29.31 3fxy s GLU 224 CO -0.08 0.46 1.65 -0.97 -0.49 0.00 0.00 175.26 175.83 3fxy h ASN 225 N 3.65 0.31 -1.45 -0.19 -1.24 -1.79 -3.02 115.58 111.85 3fxy h ASN 225 Ca -0.48 -0.15 -0.43 0.00 0.71 0.00 0.00 56.30 55.95 3fxy h ASN 225 Cb 1.20 -0.08 -0.33 0.00 0.73 0.00 0.00 38.32 39.84 3fxy h ASN 225 CO 0.65 0.37 -0.97 -0.24 -1.29 0.00 0.00 177.43 175.95 3fxy n SER 226 N -4.82 -0.26 -4.75 1.15 2.88 -1.26 -1.34 113.62 105.22 3fxy n SER 226 Ca -0.03 -3.09 -0.41 0.00 -1.33 0.00 0.00 58.87 54.01 3fxy n SER 226 Cb 0.12 0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 3fxy n SER 226 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3fxy s PRO 227 N -1.34 4.44 0.12 -1.46 0.04 -1.26 -4.82 135.00 130.72 3fxy s PRO 227 Ca 0.35 2.00 -0.16 0.00 0.04 0.00 0.00 61.00 63.22 3fxy s PRO 227 Cb 0.28 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.61 3fxy s PRO 227 CO -0.10 -0.14 1.62 1.25 0.04 0.00 0.00 177.00 179.67 3fxy h LEU 228 N 4.83 0.55 -9.45 -3.56 5.85 -1.61 0.11 115.31 112.02 3fxy h LEU 228 Ca -0.46 -0.23 -0.58 0.00 0.84 0.00 0.00 57.88 57.45 3fxy h LEU 228 Cb 1.22 -0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.97 3fxy h LEU 228 CO 0.73 0.64 -0.64 -0.31 -0.34 0.00 0.00 178.44 178.53 3fxy s TYR 229 N -5.29 2.32 0.72 1.25 2.02 -1.24 -1.17 117.35 115.96 3fxy s TYR 229 Ca -0.13 -0.67 -0.13 0.00 -0.37 0.00 0.00 57.07 55.77 3fxy s TYR 229 Cb 0.09 -1.49 0.03 0.00 -0.40 0.00 0.00 41.96 40.19 3fxy s TYR 229 CO 0.76 0.40 1.11 -1.59 -1.57 0.00 0.00 175.55 174.66 3fxy s LYS 230 N -3.71 2.45 0.28 -0.62 -2.85 -1.26 -4.48 119.74 109.55 3fxy s LYS 230 Ca 0.34 1.35 -0.23 0.00 -1.00 0.00 0.00 55.97 56.43 3fxy s LYS 230 Cb 0.07 -1.91 -0.09 0.00 -2.06 0.00 0.00 37.83 33.84 3fxy s LYS 230 CO 0.16 -1.52 0.85 -0.47 0.10 0.00 0.00 175.35 174.47 3fxy s TYR 231 N -2.53 3.66 0.44 1.78 5.04 -1.26 -4.46 117.35 120.02 3fxy s TYR 231 Ca 0.65 1.61 0.22 0.00 -2.44 0.00 0.00 57.07 57.12 3fxy s TYR 231 Cb -0.20 -2.79 1.20 0.00 0.35 0.00 0.00 41.96 40.52 3fxy s TYR 231 CO 0.48 0.25 1.81 -1.35 -1.34 0.00 0.00 175.55 175.41 3fxy h PRO 232 N 3.24 0.29 -0.02 4.97 0.11 -1.96 0.15 132.00 138.77 3fxy h PRO 232 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3fxy h PRO 232 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3fxy h PRO 232 CO 0.65 0.19 0.00 0.25 -0.21 0.00 0.00 178.00 178.88 3fxy n THR 233 N -4.49 0.02 -2.20 -1.15 -2.24 -1.26 -4.86 114.28 98.10 3fxy n THR 233 Ca 0.23 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 3fxy n THR 233 Cb 0.89 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 3fxy n THR 233 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3fxy s ASP 234 N -1.94 6.81 0.13 3.42 -0.00 0.51 -5.01 116.67 120.60 3fxy s ASP 234 Ca 0.40 2.05 0.05 0.00 -0.00 0.00 0.00 52.55 55.05 3fxy s ASP 234 Cb 0.21 -2.55 -0.04 0.00 -0.00 0.00 0.00 42.92 40.54 3fxy s ASP 234 CO 0.33 -0.80 -0.12 0.42 -0.00 0.00 0.00 175.17 175.00 3fxy s THR 235 N 3.23 1.25 0.00 -1.27 -4.23 -1.26 -4.59 115.64 108.77 3fxy s THR 235 Ca 0.65 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3fxy s THR 235 Cb -0.30 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 71.89 3fxy s THR 235 CO 0.24 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 3fxy n GLY 236 N 0.20 3.26 0.20 3.99 0.00 -1.26 -2.39 105.19 109.18 3fxy n GLY 236 Ca -0.13 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.70 3fxy n GLY 236 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fxy h SER 237 N 3.78 0.00 -0.24 1.61 4.64 -2.02 -2.25 113.55 119.07 3fxy h SER 237 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 3fxy h SER 237 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3fxy h SER 237 CO 0.00 0.33 0.27 0.78 -0.87 0.00 0.00 176.83 177.34 3fxy h ASN 238 N 0.00 0.00 0.17 4.97 2.35 -1.86 -0.63 115.58 120.57 3fxy h ASN 238 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fxy h ASN 238 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3fxy h ASN 238 CO 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.82 3fxy n ALA 239 N -2.33 2.36 0.95 -0.83 0.00 -0.84 -2.83 120.51 116.98 3fxy n ALA 239 Ca 0.03 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.44 3fxy n ALA 239 Cb 0.40 -1.41 0.09 0.00 0.00 0.00 0.00 19.45 18.54 3fxy n ALA 239 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fxy n TYR 240 N -1.11 0.03 -1.74 0.00 4.01 -0.24 -4.68 117.16 113.42 3fxy n TYR 240 Ca 0.16 0.01 -0.36 0.00 -0.16 0.00 0.00 57.90 57.55 3fxy n TYR 240 Cb 0.13 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 38.94 3fxy n TYR 240 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3fxy n LEU 241 N -1.56 7.74 -3.69 7.72 4.77 -1.13 -4.33 117.00 126.53 3fxy n LEU 241 Ca 0.05 -4.57 -0.10 0.00 -0.03 0.00 0.00 56.01 51.35 3fxy n LEU 241 Cb 0.35 -1.37 -0.05 0.00 -2.33 0.00 0.00 43.42 40.01 3fxy n LEU 241 CO 0.38 1.99 0.10 0.54 -1.33 0.00 0.00 177.39 179.07 3fxy s ASN 242 N 0.73 -0.16 0.17 -1.43 2.20 -1.26 -4.71 114.94 110.47 3fxy s ASN 242 Ca 0.58 -0.34 -0.15 0.00 -0.94 0.00 0.00 52.86 52.02 3fxy s ASN 242 Cb 0.23 0.43 0.06 0.00 -2.00 0.00 0.00 41.25 39.97 3fxy s ASN 242 CO -0.11 -0.79 1.82 0.58 -2.94 0.00 0.00 177.10 175.66 3fxy h VAL 243 N 2.57 1.10 -0.03 3.54 2.07 -0.67 -2.51 116.25 122.31 3fxy h VAL 243 Ca -0.34 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.00 3fxy h VAL 243 Cb 1.24 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3fxy h VAL 243 CO 0.48 0.11 -0.10 -0.78 0.02 0.00 0.00 177.57 177.30 3fxy h ASP 244 N 0.62 -0.30 -0.18 0.57 3.58 -1.39 -1.64 116.42 117.68 3fxy h ASP 244 Ca 0.18 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 3fxy h ASP 244 Cb -0.04 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 3fxy h ASP 244 CO -0.06 -0.14 0.11 0.22 -2.88 0.00 0.00 179.24 176.49 3fxy h TYR 245 N -0.16 0.23 0.15 0.28 3.20 -1.78 -2.40 116.97 116.50 3fxy h TYR 245 Ca 0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3fxy h TYR 245 Cb 0.23 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3fxy h TYR 245 CO -0.18 0.18 -0.07 0.28 -1.64 0.00 0.00 178.16 176.73 3fxy h VAL 246 N 0.21 0.87 -0.81 1.81 2.07 -1.32 -0.02 116.25 119.06 3fxy h VAL 246 Ca 0.06 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3fxy h VAL 246 Cb 0.02 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3fxy h VAL 246 CO -0.01 0.02 0.45 0.24 0.02 0.00 0.00 177.57 178.28 3fxy h MET 247 N -0.23 1.13 -0.02 1.57 2.86 -1.32 -2.21 114.93 116.72 3fxy h MET 247 Ca -0.02 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 3fxy h MET 247 Cb 0.18 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3fxy h MET 247 CO 0.03 0.83 -0.48 -0.91 1.06 0.00 0.00 176.91 177.45 3fxy h ASN 248 N 1.13 0.04 -0.27 1.22 2.35 -1.28 -2.36 115.58 116.41 3fxy h ASN 248 Ca 0.29 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3fxy h ASN 248 Cb 0.03 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3fxy h ASN 248 CO -0.05 0.51 0.16 0.22 -1.65 0.00 0.00 177.43 176.62 3fxy h TYR 249 N 0.03 0.36 -0.48 1.19 3.20 -0.39 0.50 116.97 121.37 3fxy h TYR 249 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3fxy h TYR 249 Cb 0.86 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 3fxy h TYR 249 CO 0.00 0.29 0.26 -1.49 -1.64 0.00 0.00 178.16 175.58 3fxy h TRP 250 N 0.33 0.67 0.08 -3.82 4.06 -1.37 -2.01 115.95 113.89 3fxy h TRP 250 Ca 0.10 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.02 3fxy h TRP 250 Cb 0.04 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 27.98 3fxy h TRP 250 CO -0.04 0.50 -0.04 -0.22 -3.56 0.00 0.00 178.44 175.09 3fxy h LYS 251 N 0.64 -0.10 0.00 0.49 3.64 -1.28 -2.07 116.57 117.89 3fxy h LYS 251 Ca 0.17 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3fxy h LYS 251 Cb 0.06 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3fxy h LYS 251 CO -0.03 -0.02 -0.17 -0.44 -2.27 0.00 0.00 179.45 176.53 3fxy h ASP 252 N -0.17 0.00 -0.58 4.20 3.32 -0.82 -3.06 116.42 119.31 3fxy h ASP 252 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3fxy h ASP 252 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3fxy h ASP 252 CO 0.02 0.17 0.00 0.59 -1.72 0.00 0.00 179.24 178.30 3fxy n ASN 253 N -3.81 4.34 0.00 6.45 3.02 -0.76 -4.95 115.26 119.55 3fxy n ASN 253 Ca -0.02 -2.39 0.00 0.00 -0.03 0.00 0.00 54.58 52.14 3fxy n ASN 253 Cb 0.27 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 3fxy n ASN 253 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fxy n GLY 254 N 0.93 0.66 3.64 7.41 0.00 -1.10 -3.96 105.19 112.78 3fxy n GLY 254 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3fxy n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxy s ALA 255 N -1.22 3.57 0.21 4.61 0.00 -0.80 -4.34 121.76 123.79 3fxy s ALA 255 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 51.96 51.08 3fxy s ALA 255 Cb 0.00 -2.79 -0.14 0.00 0.00 0.00 0.00 23.12 20.19 3fxy s ALA 255 CO 0.00 -0.56 1.46 -2.30 0.00 0.00 0.00 175.76 174.36 3fxy n PRO 256 N 5.09 2.06 -0.29 0.00 -0.02 -1.26 -4.27 135.00 136.31 3fxy n PRO 256 Ca -0.06 0.74 0.11 0.00 -2.02 0.00 0.00 63.50 62.27 3fxy n PRO 256 Cb 0.50 -2.43 0.35 0.00 -0.02 0.00 0.00 33.50 31.91 3fxy n PRO 256 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fxy h ALA 257 N 4.76 1.78 0.00 3.55 0.00 -1.93 -1.74 119.26 125.68 3fxy h ALA 257 Ca -0.45 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 3fxy h ALA 257 Cb 1.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3fxy h ALA 257 CO 0.80 -0.03 -0.26 1.49 0.00 0.00 0.00 179.25 181.25 3fxy h GLU 258 N 0.74 0.00 0.00 0.00 4.57 -1.89 -2.11 114.58 115.90 3fxy h GLU 258 Ca 0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.65 3fxy h GLU 258 Cb 0.71 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 3fxy h GLU 258 CO -0.23 0.26 -0.40 0.87 -1.18 0.00 0.00 179.01 178.33 3fxy h LYS 259 N 0.00 0.00 -6.09 1.92 1.57 -1.62 -3.27 116.57 109.08 3fxy h LYS 259 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.21 3fxy h LYS 259 Cb 0.57 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 3fxy h LYS 259 CO 0.03 0.00 0.30 -0.51 -0.57 0.00 0.00 179.45 178.70 3fxy s LEU 260 N -4.50 4.27 -0.18 2.94 1.43 -0.85 -0.35 118.68 121.44 3fxy s LEU 260 Ca 0.07 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.49 3fxy s LEU 260 Cb 0.12 -3.27 0.02 0.00 0.03 0.00 0.00 46.19 43.09 3fxy s LEU 260 CO 0.68 -0.28 -0.20 -0.63 0.23 0.00 0.00 176.35 176.15 3fxy s ILE 261 N 1.47 2.04 0.05 -0.59 -1.09 -0.18 -1.16 121.20 121.74 3fxy s ILE 261 Ca 0.41 -0.93 -0.30 0.00 -2.23 0.00 0.00 60.65 57.60 3fxy s ILE 261 Cb -0.18 -1.84 -0.05 0.00 -1.58 0.00 0.00 42.46 38.81 3fxy s ILE 261 CO 0.18 0.54 1.07 -0.69 -1.23 0.00 0.00 174.94 174.81 3fxy s VAL 262 N 1.27 4.44 -0.08 2.92 1.01 -0.41 -2.06 120.40 127.48 3fxy s VAL 262 Ca 0.04 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 3fxy s VAL 262 Cb -0.13 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3fxy s VAL 262 CO -0.12 0.16 1.03 -0.83 0.00 0.00 0.00 175.10 175.34 3fxy s GLY 263 N 0.86 2.39 -0.18 4.51 0.00 -0.93 -0.43 107.32 113.54 3fxy s GLY 263 Ca 0.54 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.70 3fxy s GLY 263 CO 0.29 1.93 -0.18 -1.36 0.00 0.00 0.00 173.10 173.79 3fxy s PHE 264 N 1.90 2.80 -0.14 1.90 0.40 0.14 -4.45 117.98 120.53 3fxy s PHE 264 Ca 0.50 -1.51 -0.20 0.00 -0.60 0.00 0.00 56.93 55.12 3fxy s PHE 264 Cb -0.20 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 3fxy s PHE 264 CO 0.20 -0.75 0.55 -1.25 0.70 0.00 0.00 175.22 174.67 3fxy s PRO 265 N 1.28 4.31 -0.49 0.24 0.04 -1.26 -1.58 135.00 137.54 3fxy s PRO 265 Ca 0.04 0.55 -0.00 0.00 0.04 0.00 0.00 61.00 61.63 3fxy s PRO 265 Cb -0.13 -3.48 0.42 0.00 0.04 0.00 0.00 34.50 31.34 3fxy s PRO 265 CO -0.11 0.02 1.95 0.25 0.04 0.00 0.00 177.00 179.15 3fxy n THR 266 N 4.02 3.16 -3.89 1.26 -2.24 -0.20 -4.66 114.28 111.73 3fxy n THR 266 Ca -0.05 -2.19 -0.09 0.00 -2.27 0.00 0.00 64.05 59.45 3fxy n THR 266 Cb 0.51 -1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 67.66 3fxy n THR 266 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3fxy s TYR 267 N -2.97 0.15 0.31 4.78 -0.85 -1.26 -1.45 117.35 116.07 3fxy s TYR 267 Ca 0.51 -0.52 0.04 0.00 -0.52 0.00 0.00 57.07 56.58 3fxy s TYR 267 Cb 0.40 0.26 -0.06 0.00 0.38 0.00 0.00 41.96 42.95 3fxy s TYR 267 CO 0.02 -0.94 0.03 0.20 -1.52 0.00 0.00 175.55 173.34 3fxy s GLY 268 N -2.95 2.01 -0.13 5.49 0.00 0.04 -4.46 107.32 107.31 3fxy s GLY 268 Ca 0.16 -2.02 -0.05 0.00 0.00 0.00 0.00 44.72 42.81 3fxy s GLY 268 CO 0.03 -1.82 0.03 0.30 0.00 0.00 0.00 173.10 171.64 3fxy s HIS 269 N -3.23 3.21 0.28 1.90 3.76 -0.67 -1.85 115.29 118.70 3fxy s HIS 269 Ca 0.35 0.10 0.09 0.00 -0.15 0.00 0.00 55.06 55.45 3fxy s HIS 269 Cb 0.08 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 3fxy s HIS 269 CO 0.14 0.30 0.01 0.54 -0.85 0.00 0.00 174.74 174.88 3fxy s ASN 270 N -0.25 4.50 0.05 1.40 2.20 -0.33 -1.37 114.94 121.13 3fxy s ASN 270 Ca 0.07 -0.70 -0.00 0.00 -0.94 0.00 0.00 52.86 51.29 3fxy s ASN 270 Cb -0.12 -0.79 -0.03 0.00 -2.00 0.00 0.00 41.25 38.31 3fxy s ASN 270 CO 0.02 -0.05 -0.04 -0.36 -2.94 0.00 0.00 177.10 173.73 3fxy s PHE 271 N -2.36 0.51 -0.36 1.54 0.40 0.13 -1.53 117.98 116.31 3fxy s PHE 271 Ca 0.32 -0.84 -0.13 0.00 -0.60 0.00 0.00 56.93 55.68 3fxy s PHE 271 Cb -0.05 -0.35 0.00 0.00 0.51 0.00 0.00 43.02 43.13 3fxy s PHE 271 CO 0.20 -0.27 0.24 0.42 0.70 0.00 0.00 175.22 176.51 3fxy s ILE 272 N -2.95 5.09 0.25 0.64 -1.09 0.30 -1.96 121.20 121.49 3fxy s ILE 272 Ca -0.00 -0.45 -0.30 0.00 -2.23 0.00 0.00 60.65 57.66 3fxy s ILE 272 Cb 0.01 -3.70 -0.10 0.00 -1.58 0.00 0.00 42.46 37.09 3fxy s ILE 272 CO -0.06 -0.11 1.45 -0.76 -1.23 0.00 0.00 174.94 174.23 3fxy s LEU 273 N 1.67 4.38 0.28 2.97 1.43 0.59 -0.57 118.68 129.43 3fxy s LEU 273 Ca 0.05 2.69 0.03 0.00 -1.03 0.00 0.00 54.13 55.87 3fxy s LEU 273 Cb -0.18 -3.62 0.41 0.00 0.03 0.00 0.00 46.19 42.83 3fxy s LEU 273 CO 0.09 -0.71 1.70 0.28 0.23 0.00 0.00 176.35 177.94 3fxy h SER 274 N 4.97 0.42 -3.16 2.29 0.02 -1.39 -3.41 113.55 113.29 3fxy h SER 274 Ca -0.46 -0.15 -0.47 0.00 -0.84 0.00 0.00 61.79 59.86 3fxy h SER 274 Cb 1.22 -0.11 -0.40 0.00 0.14 0.00 0.00 62.40 63.24 3fxy h SER 274 CO 0.77 0.72 -0.75 0.21 -1.14 0.00 0.00 176.83 176.64 3fxy s ASN 275 N -6.84 2.38 0.39 3.07 3.84 -1.26 -5.03 114.94 111.49 3fxy s ASN 275 Ca -0.06 -0.59 0.26 0.00 0.21 0.00 0.00 52.86 52.68 3fxy s ASN 275 Cb 0.13 -0.36 1.41 0.00 -0.55 0.00 0.00 41.25 41.88 3fxy s ASN 275 CO 0.79 -0.32 1.80 1.55 -2.79 0.00 0.00 177.10 178.13 3fxy h PRO 276 N 8.36 0.00 0.00 0.43 0.13 -1.83 -1.15 132.00 137.94 3fxy h PRO 276 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3fxy h PRO 276 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3fxy h PRO 276 CO 0.29 0.00 -0.06 -1.13 -0.23 0.00 0.00 178.00 176.87 3fxy n SER 277 N -2.42 0.34 -4.19 1.44 3.41 -1.26 -4.58 113.62 106.36 3fxy n SER 277 Ca -0.02 0.46 -0.35 0.00 -0.26 0.00 0.00 58.87 58.70 3fxy n SER 277 Cb 0.05 -0.52 -0.14 0.00 -0.26 0.00 0.00 64.21 63.35 3fxy n SER 277 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3fxy s ASN 278 N -3.57 4.86 -0.05 4.04 2.47 -0.44 -4.97 114.94 117.28 3fxy s ASN 278 Ca 0.12 -1.18 0.08 0.00 0.42 0.00 0.00 52.86 52.30 3fxy s ASN 278 Cb 0.16 -1.73 0.12 0.00 -1.45 0.00 0.00 41.25 38.36 3fxy s ASN 278 CO 0.57 -0.24 1.00 0.35 -3.72 0.00 0.00 177.10 175.05 3fxy n THR 279 N 4.66 1.03 -2.09 -5.21 -2.24 -1.26 -4.78 114.28 104.38 3fxy n THR 279 Ca -0.14 -1.18 -0.29 0.00 -2.27 0.00 0.00 64.05 60.18 3fxy n THR 279 Cb 0.44 0.26 0.19 0.00 -2.10 0.00 0.00 70.33 69.12 3fxy n THR 279 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3fxy s GLY 280 N -1.63 1.81 0.02 3.38 0.00 -1.26 -4.98 107.32 104.65 3fxy s GLY 280 Ca 0.13 -1.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.10 3fxy s GLY 280 CO 0.01 -0.66 1.37 -0.42 0.00 0.00 0.00 173.10 173.40 3fxy s ILE 281 N -3.78 3.70 0.00 0.90 -1.09 -1.26 -2.83 121.20 116.84 3fxy s ILE 281 Ca 0.75 1.13 0.00 0.00 -2.23 0.00 0.00 60.65 60.29 3fxy s ILE 281 Cb -0.03 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 3fxy s ILE 281 CO 0.52 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 3fxy n GLY 282 N 3.56 0.76 3.75 6.18 0.00 -0.59 -4.98 105.19 113.87 3fxy n GLY 282 Ca 0.12 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3fxy n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxy s ALA 283 N -2.00 3.50 0.30 4.61 0.00 -1.13 -4.62 121.76 122.41 3fxy s ALA 283 Ca 0.00 1.14 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 3fxy s ALA 283 Cb 0.00 -3.46 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 3fxy s ALA 283 CO 0.00 -0.52 1.52 -2.30 0.00 0.00 0.00 175.76 174.45 3fxy n PRO 284 N 1.62 2.51 -4.35 0.00 -0.02 -1.26 -0.75 135.00 132.74 3fxy n PRO 284 Ca 0.02 0.89 -0.23 0.00 -2.02 0.00 0.00 63.50 62.17 3fxy n PRO 284 Cb 0.43 -2.62 -0.11 0.00 -0.02 0.00 0.00 33.50 31.17 3fxy n PRO 284 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3fxy s THR 285 N -0.25 1.93 -1.63 3.45 -4.23 -0.70 -1.07 115.64 113.15 3fxy s THR 285 Ca 0.63 -1.95 0.14 0.00 -1.18 0.00 0.00 61.69 59.33 3fxy s THR 285 Cb -0.53 -1.90 0.07 0.00 1.34 0.00 0.00 72.50 71.47 3fxy s THR 285 CO 0.52 -0.28 0.90 -1.54 -0.54 0.00 0.00 174.62 173.67 3fxy n SER 286 N 0.27 1.95 0.00 3.99 3.41 0.26 -4.65 113.62 118.84 3fxy n SER 286 Ca -0.13 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 3fxy n SER 286 Cb 0.57 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 3fxy n SER 286 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fxy n GLY 287 N 0.92 -0.40 3.74 5.00 0.00 -1.25 -4.98 105.19 108.21 3fxy n GLY 287 Ca 0.08 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 3fxy n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxy n ALA 288 N -1.01 1.88 -1.26 4.61 0.00 -1.26 -0.54 120.51 122.93 3fxy n ALA 288 Ca 0.00 0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 3fxy n ALA 288 Cb 0.00 -2.35 0.22 0.00 0.00 0.00 0.00 19.45 17.32 3fxy n ALA 288 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3fxy s GLY 289 N -0.31 1.62 0.30 0.00 0.00 -0.58 -4.29 107.32 104.06 3fxy s GLY 289 Ca 0.57 -0.93 -0.28 0.00 0.00 0.00 0.00 44.72 44.08 3fxy s GLY 289 CO 0.61 -0.10 1.06 2.56 0.00 0.00 0.00 173.10 177.23 3fxy s PRO 290 N -5.45 4.56 0.48 2.90 0.04 -1.26 -2.37 135.00 133.89 3fxy s PRO 290 Ca 0.71 1.67 -0.23 0.00 0.04 0.00 0.00 61.00 63.19 3fxy s PRO 290 Cb -0.10 -3.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.34 3fxy s PRO 290 CO 0.55 0.17 1.30 0.00 0.04 0.00 0.00 177.00 179.07 3fxy s ALA 291 N -1.30 2.99 0.67 8.56 0.00 -1.26 -4.53 121.76 126.89 3fxy s ALA 291 Ca 0.47 1.22 -0.11 0.00 0.00 0.00 0.00 51.96 53.54 3fxy s ALA 291 Cb -0.28 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 3fxy s ALA 291 CO 0.36 -1.05 1.06 0.20 0.00 0.00 0.00 175.76 176.33 3fxy s GLY 292 N -0.97 1.65 0.32 0.00 0.00 -1.25 -4.87 107.32 102.19 3fxy s GLY 292 Ca 0.65 -0.15 0.26 0.00 0.00 0.00 0.00 44.72 45.48 3fxy s GLY 292 CO 0.45 0.16 1.77 -0.56 0.00 0.00 0.00 173.10 174.92 3fxy h PRO 293 N -0.52 0.00 0.00 2.90 0.13 -1.97 -1.74 132.00 130.80 3fxy h PRO 293 Ca -0.44 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.31 3fxy h PRO 293 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 3fxy h PRO 293 CO 0.62 0.00 -2.18 0.66 -0.23 0.00 0.00 178.00 176.87 3fxy n TYR 294 N -2.49 0.10 0.02 1.56 4.02 -1.26 -4.68 117.16 114.42 3fxy n TYR 294 Ca 0.03 0.04 -0.09 0.00 -0.01 0.00 0.00 57.90 57.87 3fxy n TYR 294 Cb 0.33 -0.93 -0.13 0.00 -0.02 0.00 0.00 39.34 38.59 3fxy n TYR 294 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fxy h ALA 295 N -0.96 0.55 -4.90 -0.72 0.00 -1.96 -3.40 119.26 107.88 3fxy h ALA 295 Ca -0.56 -1.22 -0.40 0.00 0.00 0.00 0.00 54.91 52.73 3fxy h ALA 295 Cb 1.48 0.24 0.02 0.00 0.00 0.00 0.00 17.79 19.53 3fxy h ALA 295 CO -0.34 1.41 -0.60 1.63 0.00 0.00 0.00 179.25 181.35 3fxy n LYS 296 N -3.21 -4.61 -3.87 0.00 5.02 -0.65 -4.96 118.16 105.87 3fxy n LYS 296 Ca -0.11 0.76 -0.36 0.00 -2.02 0.00 0.00 58.31 56.59 3fxy n LYS 296 Cb 1.01 -5.59 -0.12 0.00 -0.02 0.00 0.00 35.03 30.31 3fxy n LYS 296 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3fxy s GLU 297 N -5.85 3.70 0.27 1.97 2.02 -1.26 -4.87 118.70 114.67 3fxy s GLU 297 Ca 0.36 -0.47 -0.30 0.00 0.02 0.00 0.00 54.97 54.58 3fxy s GLU 297 Cb -0.17 -3.26 -0.11 0.00 0.10 0.00 0.00 34.13 30.69 3fxy s GLU 297 CO 0.44 -0.07 1.62 0.45 0.02 0.00 0.00 175.26 177.72 3fxy s SER 298 N 1.29 6.37 -0.16 -0.19 0.15 -1.26 -1.75 113.70 118.16 3fxy s SER 298 Ca 0.05 2.93 0.00 0.00 0.70 0.00 0.00 55.95 59.63 3fxy s SER 298 Cb -0.15 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 3fxy s SER 298 CO 0.03 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.15 3fxy n GLY 299 N 2.58 0.38 3.02 9.45 0.00 -1.00 -4.93 105.19 114.69 3fxy n GLY 299 Ca 0.10 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 3fxy n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fxy s ILE 300 N -1.62 0.91 -0.09 -0.61 -1.09 -0.72 -1.19 121.20 116.79 3fxy s ILE 300 Ca 0.00 -0.42 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 3fxy s ILE 300 Cb 0.00 -0.80 0.01 0.00 -1.58 0.00 0.00 42.46 40.09 3fxy s ILE 300 CO 0.00 0.28 -0.14 0.26 -1.23 0.00 0.00 174.94 174.11 3fxy s TRP 301 N 0.19 1.76 0.75 3.97 0.51 -0.77 -3.90 118.94 121.45 3fxy s TRP 301 Ca -0.04 -0.74 -0.15 0.00 -2.12 0.00 0.00 56.10 53.05 3fxy s TRP 301 Cb -0.09 -1.27 0.03 0.00 -0.81 0.00 0.00 33.47 31.32 3fxy s TRP 301 CO 0.01 -0.37 1.01 0.00 -0.51 0.00 0.00 176.95 177.08 3fxy n ALA 302 N 3.98 -0.26 -0.32 0.98 0.00 -1.26 -0.78 120.51 122.85 3fxy n ALA 302 Ca -0.20 -0.24 0.09 0.00 0.00 0.00 0.00 53.44 53.09 3fxy n ALA 302 Cb 0.52 -2.14 0.31 0.00 0.00 0.00 0.00 19.45 18.13 3fxy n ALA 302 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3fxy h TYR 303 N -0.45 0.99 0.00 0.00 3.20 -0.67 -0.28 116.97 119.76 3fxy h TYR 303 Ca -0.47 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.34 3fxy h TYR 303 Cb 1.32 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 3fxy h TYR 303 CO 0.41 0.38 -0.40 0.10 -1.64 0.00 0.00 178.16 177.01 3fxy h TYR 304 N 0.85 0.00 -0.14 -3.82 -0.00 -1.84 -1.74 116.97 110.29 3fxy h TYR 304 Ca 0.47 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 59.05 3fxy h TYR 304 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.31 3fxy h TYR 304 CO -0.00 0.40 -0.55 0.93 -0.00 0.00 0.00 178.16 178.94 3fxy h GLU 305 N 0.00 0.42 -0.62 0.10 5.08 -1.44 -2.92 114.58 115.19 3fxy h GLU 305 Ca -0.00 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 3fxy h GLU 305 Cb 0.85 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 3fxy h GLU 305 CO 0.05 0.86 0.07 0.82 -1.00 0.00 0.00 179.01 179.81 3fxy h ILE 306 N 0.32 1.26 -0.31 3.13 2.04 -0.81 -2.62 117.51 120.52 3fxy h ILE 306 Ca 0.00 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 64.84 3fxy h ILE 306 Cb 1.07 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3fxy h ILE 306 CO 0.10 0.39 0.21 0.00 0.00 0.00 0.00 178.15 178.85 3fxy h THR 308 N 0.31 1.21 -0.66 0.00 2.02 -1.35 -0.51 112.91 113.93 3fxy h THR 308 Ca 0.13 -0.69 0.12 0.00 0.77 0.00 0.00 66.41 66.74 3fxy h THR 308 Cb 0.13 1.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.84 3fxy h THR 308 CO -0.03 0.21 0.22 0.15 0.37 0.00 0.00 175.52 176.44 3fxy h PHE 309 N 0.04 0.37 -0.26 3.16 3.57 -0.82 0.74 116.94 123.75 3fxy h PHE 309 Ca 0.05 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 3fxy h PHE 309 Cb 0.29 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3fxy h PHE 309 CO 0.02 0.04 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.64 3fxy h LEU 310 N 0.37 0.69 -1.22 0.59 3.38 -0.99 -2.48 115.31 115.65 3fxy h LEU 310 Ca 0.35 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3fxy h LEU 310 Cb 0.50 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3fxy h LEU 310 CO -0.38 1.03 -0.37 0.11 0.09 0.00 0.00 178.44 178.92 3fxy h LYS 311 N 0.53 0.00 -0.41 1.13 1.57 -0.30 -2.96 116.57 116.13 3fxy h LYS 311 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3fxy h LYS 311 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3fxy h LYS 311 CO 0.09 0.37 0.00 0.09 -0.57 0.00 0.00 179.45 179.43 3fxy n ASN 312 N -3.92 2.00 0.00 0.86 3.02 0.18 -4.89 115.26 112.51 3fxy n ASN 312 Ca -0.02 -2.06 0.00 0.00 -0.03 0.00 0.00 54.58 52.47 3fxy n ASN 312 Cb 0.43 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 3fxy n ASN 312 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fxy n GLY 313 N 0.93 1.14 3.77 7.41 0.00 -1.12 -5.06 105.19 112.25 3fxy n GLY 313 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3fxy n GLY 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxy s ALA 314 N -2.00 3.29 -0.06 4.61 0.00 -0.94 -4.98 121.76 121.68 3fxy s ALA 314 Ca 0.00 1.15 -0.25 0.00 0.00 0.00 0.00 51.96 52.87 3fxy s ALA 314 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3fxy s ALA 314 CO 0.00 -0.67 0.76 0.99 0.00 0.00 0.00 175.76 176.83 3fxy s THR 315 N -1.27 5.01 0.21 0.00 2.01 -0.43 -4.78 115.64 116.39 3fxy s THR 315 Ca 0.54 1.56 -0.09 0.00 0.31 0.00 0.00 61.69 64.01 3fxy s THR 315 Cb -0.36 -4.09 -0.07 0.00 0.01 0.00 0.00 72.50 67.98 3fxy s THR 315 CO 0.47 0.23 0.52 -1.10 -0.69 0.00 0.00 174.62 174.05 3fxy s GLN 316 N 0.88 3.79 0.12 4.92 -0.21 -1.26 -1.26 119.66 126.63 3fxy s GLN 316 Ca 0.40 0.24 0.05 0.00 0.02 0.00 0.00 55.36 56.08 3fxy s GLN 316 Cb -0.18 -2.71 -0.04 0.00 1.00 0.00 0.00 33.01 31.08 3fxy s GLN 316 CO 0.20 0.36 -0.13 0.20 -2.12 0.00 0.00 175.29 173.79 3fxy s GLY 317 N -2.30 1.03 -0.29 3.09 0.00 0.69 -4.95 107.32 104.58 3fxy s GLY 317 Ca 0.45 -1.28 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 3fxy s GLY 317 CO 0.21 -1.34 -0.01 0.86 0.00 0.00 0.00 173.10 172.83 3fxy s TRP 318 N -2.25 3.24 -1.18 1.90 -0.11 -1.26 -1.24 118.94 118.04 3fxy s TRP 318 Ca 0.08 -1.82 -0.21 0.00 1.22 0.00 0.00 56.10 55.38 3fxy s TRP 318 Cb -0.04 -2.10 0.03 0.00 -1.50 0.00 0.00 33.47 29.85 3fxy s TRP 318 CO 0.02 -0.79 1.73 0.34 -4.62 0.00 0.00 176.95 173.63 3fxy s ASP 319 N 1.27 6.27 0.12 5.86 3.68 -0.34 -4.88 116.67 128.65 3fxy s ASP 319 Ca -0.05 -1.92 -0.21 0.00 2.13 0.00 0.00 52.55 52.50 3fxy s ASP 319 Cb -0.19 -2.58 -0.05 0.00 -1.45 0.00 0.00 42.92 38.65 3fxy s ASP 319 CO -0.01 -1.75 1.71 0.00 0.13 0.00 0.00 175.17 175.25 3fxy h ALA 320 N 8.80 0.08 -0.50 3.66 0.00 -1.97 -0.67 119.26 128.67 3fxy h ALA 320 Ca 0.32 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.38 3fxy h ALA 320 Cb 0.93 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3fxy h ALA 320 CO 1.39 -0.50 0.34 -1.35 0.00 0.00 0.00 179.25 179.13 3fxy h PRO 321 N -0.03 0.28 -0.01 0.00 0.11 -1.91 -2.61 132.00 127.83 3fxy h PRO 321 Ca 0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3fxy h PRO 321 Cb 0.14 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3fxy h PRO 321 CO -0.17 0.19 -0.53 1.04 -0.21 0.00 0.00 178.00 178.32 3fxy n GLN 322 N -4.46 1.00 -3.59 1.05 6.02 -0.83 -4.48 117.38 112.08 3fxy n GLN 322 Ca 0.08 -0.81 -0.23 0.00 -0.01 0.00 0.00 57.00 56.02 3fxy n GLN 322 Cb 0.36 -1.48 0.08 0.00 1.02 0.00 0.00 30.24 30.21 3fxy n GLN 322 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3fxy n GLU 323 N -0.29 -7.81 -3.91 -1.09 -0.58 -0.32 -1.65 120.64 104.99 3fxy n GLU 323 Ca 0.09 0.83 -0.10 0.00 -0.42 0.00 0.00 57.16 57.55 3fxy n GLU 323 Cb 0.44 -5.88 -0.11 0.00 -0.57 0.00 0.00 31.44 25.32 3fxy n GLU 323 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3fxy s VAL 324 N -3.32 0.08 0.61 2.62 -7.23 -1.18 -4.56 120.40 107.41 3fxy s VAL 324 Ca 0.53 -0.64 -0.10 0.00 -1.81 0.00 0.00 61.98 59.96 3fxy s VAL 324 Cb -0.24 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 3fxy s VAL 324 CO 0.73 -0.35 0.99 -2.16 -0.31 0.00 0.00 175.10 174.00 3fxy s PRO 325 N -1.12 3.41 0.24 4.82 0.04 -1.25 -1.20 135.00 139.94 3fxy s PRO 325 Ca -0.12 0.56 -0.01 0.00 0.04 0.00 0.00 61.00 61.47 3fxy s PRO 325 Cb -0.07 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 3fxy s PRO 325 CO 0.00 -0.60 0.21 1.52 0.04 0.00 0.00 177.00 178.17 3fxy s TYR 326 N -3.13 1.20 0.05 0.56 -0.85 -0.37 -2.86 117.35 111.95 3fxy s TYR 326 Ca 0.54 -1.37 -0.21 0.00 -0.52 0.00 0.00 57.07 55.52 3fxy s TYR 326 Cb -0.11 -0.50 0.05 0.00 0.38 0.00 0.00 41.96 41.78 3fxy s TYR 326 CO 0.52 -0.75 0.48 0.00 -1.52 0.00 0.00 175.55 174.28 3fxy s ALA 327 N -3.95 -1.20 0.01 9.51 0.00 -0.49 -0.22 121.76 125.42 3fxy s ALA 327 Ca 0.37 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.61 3fxy s ALA 327 Cb 0.05 0.40 0.03 0.00 0.00 0.00 0.00 23.12 23.60 3fxy s ALA 327 CO 0.15 -0.50 0.39 1.52 0.00 0.00 0.00 175.76 177.32 3fxy s TYR 328 N -2.56 -0.26 -0.23 0.00 1.13 -0.39 -0.68 117.35 114.37 3fxy s TYR 328 Ca -0.05 0.32 -0.06 0.00 -1.41 0.00 0.00 57.07 55.88 3fxy s TYR 328 Cb -0.01 0.18 0.12 0.00 -1.10 0.00 0.00 41.96 41.15 3fxy s TYR 328 CO -0.03 -0.50 0.45 -1.14 -2.51 0.00 0.00 175.55 171.83 3fxy s GLN 329 N -1.88 0.38 6.07 -3.49 2.00 -0.26 -1.31 119.66 121.18 3fxy s GLN 329 Ca -0.09 0.94 0.00 0.00 -2.00 0.00 0.00 55.36 54.21 3fxy s GLN 329 Cb -0.02 0.19 0.00 0.00 0.80 0.00 0.00 33.01 33.98 3fxy s GLN 329 CO 0.02 -0.39 0.00 0.41 -0.50 0.00 0.00 175.29 174.83 3fxy n GLY 330 N 5.39 3.81 1.02 2.59 0.00 -1.26 -1.44 105.19 115.31 3fxy n GLY 330 Ca -0.07 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.26 3fxy n GLY 330 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fxy n ASN 331 N 7.41 3.00 -4.65 1.61 6.94 -1.26 -4.67 115.26 123.65 3fxy n ASN 331 Ca 0.00 -1.96 -0.35 0.00 -0.02 0.00 0.00 54.58 52.26 3fxy n ASN 331 Cb 0.00 -0.32 -0.10 0.00 -2.36 0.00 0.00 39.78 37.01 3fxy n ASN 331 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3fxy s VAL 332 N -1.37 4.77 -0.02 3.53 1.01 -0.52 -0.30 120.40 127.50 3fxy s VAL 332 Ca 0.38 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.33 3fxy s VAL 332 Cb 0.21 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.46 3fxy s VAL 332 CO 0.28 0.48 -0.05 0.86 0.00 0.00 0.00 175.10 176.67 3fxy s TRP 333 N 0.19 0.59 -0.02 5.22 -0.00 -0.83 -1.10 118.94 122.99 3fxy s TRP 333 Ca 0.04 -0.13 0.02 0.00 -0.00 0.00 0.00 56.10 56.03 3fxy s TRP 333 Cb -0.12 -0.46 0.01 0.00 -0.00 0.00 0.00 33.47 32.89 3fxy s TRP 333 CO 0.01 -0.08 -0.06 0.54 -0.00 0.00 0.00 176.95 177.36 3fxy s VAL 334 N 0.30 0.53 -0.13 5.86 0.11 0.15 0.17 120.40 127.39 3fxy s VAL 334 Ca -0.04 -0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 58.79 3fxy s VAL 334 Cb -0.07 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 3fxy s VAL 334 CO -0.00 0.19 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.05 3fxy s GLY 335 N 0.36 1.65 0.00 6.54 0.00 -0.47 -1.40 107.32 113.99 3fxy s GLY 335 Ca -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3fxy s GLY 335 CO -0.00 -0.19 0.00 1.58 0.00 0.00 0.00 173.10 174.49 3fxy n TYR 336 N 3.35 -0.76 -4.59 1.90 4.11 -1.14 -1.67 117.16 118.36 3fxy n TYR 336 Ca -0.18 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.48 3fxy n TYR 336 Cb 0.53 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.73 3fxy n TYR 336 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3fxy s ASP 337 N -0.84 2.22 0.12 9.48 1.11 -1.26 -3.74 116.67 123.77 3fxy s ASP 337 Ca 0.00 -0.48 0.01 0.00 0.18 0.00 0.00 52.55 52.26 3fxy s ASP 337 Cb 0.00 -0.18 -0.00 0.00 1.07 0.00 0.00 42.92 43.80 3fxy s ASP 337 CO 0.00 0.14 0.03 -0.46 1.18 0.00 0.00 175.17 176.06 3fxy n ASN 338 N 1.96 1.32 -0.29 0.27 0.23 -1.26 -4.90 115.26 112.58 3fxy n ASN 338 Ca -0.17 -1.63 0.03 0.00 -0.53 0.00 0.00 54.58 52.28 3fxy n ASN 338 Cb 0.54 0.26 0.17 0.00 -2.08 0.00 0.00 39.78 38.67 3fxy n ASN 338 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3fxy h VAL 339 N 1.17 0.90 -0.04 3.53 2.07 -1.95 -0.94 116.25 120.99 3fxy h VAL 339 Ca -0.10 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3fxy h VAL 339 Cb 0.36 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3fxy h VAL 339 CO 0.16 0.14 0.01 0.50 0.02 0.00 0.00 177.57 178.40 3fxy h LYS 340 N 0.79 0.06 -0.52 1.57 3.64 -1.99 -0.80 116.57 119.32 3fxy h LYS 340 Ca 0.41 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.67 3fxy h LYS 340 Cb 0.39 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3fxy h LYS 340 CO -0.26 0.25 -0.08 0.66 -2.27 0.00 0.00 179.45 177.75 3fxy h SER 341 N -0.14 0.93 -0.48 4.20 4.64 -1.76 -1.66 113.55 119.27 3fxy h SER 341 Ca 0.01 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3fxy h SER 341 Cb 0.22 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3fxy h SER 341 CO -0.00 1.03 0.32 -0.26 -0.87 0.00 0.00 176.83 177.05 3fxy h PHE 342 N 0.85 0.61 -0.25 4.77 -1.00 -1.10 -1.62 116.94 119.19 3fxy h PHE 342 Ca 0.14 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 3fxy h PHE 342 Cb 0.61 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 3fxy h PHE 342 CO 0.04 0.38 0.14 0.22 -1.61 0.00 0.00 178.31 177.48 3fxy h ASP 343 N 0.65 0.32 -0.53 2.17 3.58 -0.99 -0.67 116.42 120.95 3fxy h ASP 343 Ca 0.18 -0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.58 3fxy h ASP 343 Cb -0.07 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 40.85 3fxy h ASP 343 CO -0.04 0.32 0.28 0.40 -2.88 0.00 0.00 179.24 177.32 3fxy h ILE 344 N 0.29 0.97 -0.14 2.25 2.04 -1.17 -1.67 117.51 120.09 3fxy h ILE 344 Ca 0.09 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.64 3fxy h ILE 344 Cb 0.07 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3fxy h ILE 344 CO -0.01 0.10 -0.45 0.11 0.00 0.00 0.00 178.15 177.90 3fxy h LYS 345 N 0.54 0.33 -0.44 2.37 1.57 -1.16 -1.78 116.57 117.99 3fxy h LYS 345 Ca 0.23 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3fxy h LYS 345 Cb 0.12 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3fxy h LYS 345 CO -0.15 0.72 0.16 0.00 -0.57 0.00 0.00 179.45 179.61 3fxy h ALA 346 N 1.26 0.58 -0.52 3.86 0.00 -0.65 0.24 119.26 124.03 3fxy h ALA 346 Ca 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3fxy h ALA 346 Cb 0.90 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3fxy h ALA 346 CO 0.07 0.20 0.16 1.96 0.00 0.00 0.00 179.25 181.65 3fxy h GLN 347 N 0.57 0.81 -0.38 0.00 1.08 -1.20 -2.26 115.11 113.73 3fxy h GLN 347 Ca 0.15 -0.17 0.04 0.00 -1.45 0.00 0.00 58.65 57.21 3fxy h GLN 347 Cb 0.22 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.50 3fxy h GLN 347 CO -0.01 0.75 0.16 2.35 -0.95 0.00 0.00 178.83 181.13 3fxy h TRP 348 N 0.71 0.29 -0.52 2.96 7.01 -1.02 -0.81 115.95 124.58 3fxy h TRP 348 Ca 0.17 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.27 3fxy h TRP 348 Cb 0.28 -0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.19 3fxy h TRP 348 CO 0.02 0.14 0.13 1.25 -2.79 0.00 0.00 178.44 177.18 3fxy h LEU 349 N 0.34 0.05 -0.53 0.65 6.46 -0.36 -1.48 115.31 120.44 3fxy h LEU 349 Ca 0.17 0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.90 3fxy h LEU 349 Cb 0.12 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 3fxy h LEU 349 CO -0.15 0.05 -0.10 0.11 -0.62 0.00 0.00 178.44 177.74 3fxy h LYS 350 N 0.27 1.01 -0.87 1.25 1.57 -0.93 -1.96 116.57 116.91 3fxy h LYS 350 Ca 0.26 -0.37 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3fxy h LYS 350 Cb 0.34 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3fxy h LYS 350 CO -0.32 1.05 0.57 0.45 -0.57 0.00 0.00 179.45 180.64 3fxy h HIS 351 N 0.88 1.09 -0.13 -1.35 3.86 -0.77 -2.42 115.15 116.31 3fxy h HIS 351 Ca 0.14 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3fxy h HIS 351 Cb 0.66 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3fxy h HIS 351 CO 0.05 0.69 0.00 0.09 0.86 0.00 0.00 177.93 179.62 3fxy n ASN 352 N -4.47 1.17 -3.29 2.45 3.02 -0.59 -4.94 115.26 108.61 3fxy n ASN 352 Ca 0.09 -1.67 -0.24 0.00 -0.03 0.00 0.00 54.58 52.74 3fxy n ASN 352 Cb 0.02 -0.08 0.04 0.00 -0.61 0.00 0.00 39.78 39.15 3fxy n ASN 352 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3fxy n LYS 353 N 0.01 -5.71 -1.64 3.52 5.02 -0.77 -5.00 118.16 113.59 3fxy n LYS 353 Ca 0.14 0.83 -0.31 0.00 -2.02 0.00 0.00 58.31 56.95 3fxy n LYS 353 Cb 0.24 -5.74 0.06 0.00 -0.02 0.00 0.00 35.03 29.57 3fxy n LYS 353 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3fxy s PHE 354 N -3.21 3.11 0.21 2.13 0.40 -1.00 -4.16 117.98 115.45 3fxy s PHE 354 Ca 0.42 1.28 0.34 0.00 -0.60 0.00 0.00 56.93 58.37 3fxy s PHE 354 Cb -0.19 -2.96 1.49 0.00 0.51 0.00 0.00 43.02 41.87 3fxy s PHE 354 CO 0.52 -1.33 2.03 0.78 0.70 0.00 0.00 175.22 177.92 3fxy h GLY 355 N -0.78 0.00 0.00 4.36 0.00 -0.51 -3.46 103.07 102.67 3fxy h GLY 355 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3fxy h GLY 355 CO 0.59 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.74 3fxy n GLY 356 N -0.16 0.06 3.32 4.60 0.00 -1.24 -1.00 105.19 110.77 3fxy n GLY 356 Ca -0.00 -1.34 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 3fxy n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxy s ALA 357 N -1.00 2.02 0.13 4.61 0.00 -0.33 -1.28 121.76 125.91 3fxy s ALA 357 Ca 0.00 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.73 3fxy s ALA 357 Cb 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3fxy s ALA 357 CO 0.00 0.43 -0.19 0.00 0.00 0.00 0.00 175.76 176.00 3fxy s MET 358 N -1.90 1.20 -0.15 0.00 0.23 0.42 -0.54 119.30 118.57 3fxy s MET 358 Ca 0.09 -1.29 0.00 0.00 -1.03 0.00 0.00 55.69 53.47 3fxy s MET 358 Cb -0.10 -1.35 0.03 0.00 -1.53 0.00 0.00 34.83 31.88 3fxy s MET 358 CO 0.05 0.29 -0.10 0.08 -2.03 0.00 0.00 175.02 173.31 3fxy s VAL 359 N -1.63 1.34 -0.40 5.16 1.01 0.68 0.26 120.40 126.81 3fxy s VAL 359 Ca 0.11 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 3fxy s VAL 359 Cb -0.08 -1.36 0.06 0.00 0.00 0.00 0.00 36.38 35.00 3fxy s VAL 359 CO 0.05 0.31 0.24 0.86 0.00 0.00 0.00 175.10 176.56 3fxy s TRP 360 N 1.56 3.29 0.05 5.22 -0.11 -0.62 -1.73 118.94 126.61 3fxy s TRP 360 Ca 0.03 -1.28 -0.03 0.00 1.22 0.00 0.00 56.10 56.04 3fxy s TRP 360 Cb -0.14 -2.72 -0.03 0.00 -1.50 0.00 0.00 33.47 29.08 3fxy s TRP 360 CO -0.09 -0.76 0.02 0.00 -4.62 0.00 0.00 176.95 171.50 3fxy s ALA 361 N 1.48 0.28 0.38 5.86 0.00 -1.26 -1.03 121.76 127.46 3fxy s ALA 361 Ca 0.02 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.10 3fxy s ALA 361 Cb -0.21 0.28 0.80 0.00 0.00 0.00 0.00 23.12 23.99 3fxy s ALA 361 CO 0.04 -0.36 1.96 0.97 0.00 0.00 0.00 175.76 178.37 3fxy h ILE 362 N 3.34 0.99 0.00 0.00 2.10 -1.30 -0.56 117.51 122.09 3fxy h ILE 362 Ca -0.34 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.37 3fxy h ILE 362 Cb 1.16 0.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.14 3fxy h ILE 362 CO 0.59 0.12 0.00 -0.90 -1.08 0.00 0.00 178.15 176.89 3fxy n ASP 363 N -4.48 0.00 -0.00 2.19 5.68 -1.26 -3.06 116.55 115.62 3fxy n ASP 363 Ca 0.11 0.13 0.09 0.00 -0.50 0.00 0.00 54.79 54.61 3fxy n ASP 363 Cb 0.26 -0.35 -0.12 0.00 -1.14 0.00 0.00 41.12 39.78 3fxy n ASP 363 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3fxy n LEU 364 N -1.35 0.66 -4.69 -2.12 4.77 -0.22 -4.92 117.00 109.13 3fxy n LEU 364 Ca 0.09 -0.37 -0.30 0.00 -0.03 0.00 0.00 56.01 55.40 3fxy n LEU 364 Cb 0.19 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.43 3fxy n LEU 364 CO 0.17 0.16 0.65 -0.62 -1.33 0.00 0.00 177.39 176.43 3fxy s ASP 365 N -3.13 3.21 -1.31 -1.43 -1.08 -1.17 -2.08 116.67 109.68 3fxy s ASP 365 Ca 0.03 1.62 -0.18 0.00 -0.52 0.00 0.00 52.55 53.51 3fxy s ASP 365 Cb 0.14 -2.27 0.07 0.00 -1.46 0.00 0.00 42.92 39.40 3fxy s ASP 365 CO 0.78 -2.83 1.76 -0.67 0.52 0.00 0.00 175.17 174.73 3fxy n ASP 366 N -4.02 4.89 0.14 -0.34 2.03 -1.26 -4.69 116.55 113.30 3fxy n ASP 366 Ca 0.07 -2.92 -0.01 0.00 0.52 0.00 0.00 54.79 52.45 3fxy n ASP 366 Cb 0.54 -1.74 0.18 0.00 -0.72 0.00 0.00 41.12 39.39 3fxy n ASP 366 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3fxy h PHE 367 N 7.46 0.02 0.00 -0.67 -0.00 -1.91 -0.39 116.94 121.45 3fxy h PHE 367 Ca 0.45 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.97 58.36 3fxy h PHE 367 Cb 0.86 -0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.79 3fxy h PHE 367 CO 1.42 0.61 -0.27 1.79 -0.00 0.00 0.00 178.31 181.86 3fxy h THR 368 N 0.01 0.51 0.00 0.88 1.35 -1.91 -3.38 112.91 110.38 3fxy h THR 368 Ca -0.01 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 3fxy h THR 368 Cb 1.06 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 3fxy h THR 368 CO 0.08 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 3fxy n GLY 369 N 0.86 0.33 0.33 5.82 0.00 -1.03 -4.78 105.19 106.72 3fxy n GLY 369 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3fxy n GLY 369 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fxy n THR 370 N -2.60 0.00 -0.10 2.61 -2.24 -1.26 -3.76 114.28 106.92 3fxy n THR 370 Ca 0.00 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 3fxy n THR 370 Cb 0.17 0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 69.00 3fxy n THR 370 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3fxy n PHE 371 N -0.43 0.00 0.24 4.78 3.01 -1.26 -4.75 117.46 119.06 3fxy n PHE 371 Ca 0.11 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.64 3fxy n PHE 371 Cb 0.39 -0.74 -0.09 0.00 -0.01 0.00 0.00 39.48 39.02 3fxy n PHE 371 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fxy n ASN 373 N -1.70 -4.22 -0.18 0.00 5.03 -1.25 -4.90 115.26 108.04 3fxy n ASN 373 Ca -0.00 -0.71 0.05 0.00 0.87 0.00 0.00 54.58 54.79 3fxy n ASN 373 Cb 0.29 -4.32 0.08 0.00 -1.02 0.00 0.00 39.78 34.81 3fxy n ASN 373 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fxy n GLN 374 N -4.64 1.03 0.00 3.52 6.02 -1.26 -5.12 117.38 116.93 3fxy n GLN 374 Ca -0.07 -1.89 0.00 0.00 -0.01 0.00 0.00 57.00 55.04 3fxy n GLN 374 Cb 0.58 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.74 3fxy n GLN 374 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fxy n GLY 375 N -0.84 -0.44 3.75 1.08 0.00 -1.26 -4.61 105.19 102.87 3fxy n GLY 375 Ca 0.09 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 3fxy n GLY 375 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fxy s LYS 376 N -1.62 4.71 -1.20 1.61 1.02 -1.26 -3.92 119.74 119.07 3fxy s LYS 376 Ca 0.00 1.64 -0.11 0.00 0.02 0.00 0.00 55.97 57.51 3fxy s LYS 376 Cb 0.00 -3.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 3fxy s LYS 376 CO 0.00 0.29 0.74 1.19 -0.92 0.00 0.00 175.35 176.64 3fxy n PHE 377 N 1.75 -1.94 -0.27 3.18 3.72 -0.19 -4.80 117.46 118.91 3fxy n PHE 377 Ca -0.00 0.63 -0.07 0.00 -0.05 0.00 0.00 57.45 57.97 3fxy n PHE 377 Cb 0.46 -3.80 0.05 0.00 -0.94 0.00 0.00 39.48 35.26 3fxy n PHE 377 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fxy h PRO 378 N -1.78 1.13 -0.25 -1.08 0.13 -1.74 0.17 132.00 128.58 3fxy h PRO 378 Ca -0.64 -0.23 -0.07 0.00 -0.87 0.00 0.00 66.00 64.19 3fxy h PRO 378 Cb 1.36 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3fxy h PRO 378 CO 0.52 0.95 -0.11 -0.07 -0.23 0.00 0.00 178.00 179.06 3fxy h LEU 379 N 1.08 0.52 -0.47 1.56 3.38 -1.94 -1.89 115.31 117.55 3fxy h LEU 379 Ca 0.24 -0.40 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 3fxy h LEU 379 Cb 0.28 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3fxy h LEU 379 CO -0.01 0.80 -0.58 0.40 0.09 0.00 0.00 178.44 179.15 3fxy h ILE 380 N 0.23 1.32 -0.63 1.22 2.04 -1.92 -2.84 117.51 116.93 3fxy h ILE 380 Ca 0.06 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.08 3fxy h ILE 380 Cb 0.60 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 3fxy h ILE 380 CO 0.03 0.57 0.37 0.28 0.00 0.00 0.00 178.15 179.40 3fxy h SER 381 N 0.45 0.76 -0.48 1.72 0.02 -0.94 -0.99 113.55 114.08 3fxy h SER 381 Ca 0.00 -0.04 0.07 0.00 -0.84 0.00 0.00 61.79 60.98 3fxy h SER 381 Cb 1.13 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.43 3fxy h SER 381 CO 0.11 0.59 0.17 0.74 -1.14 0.00 0.00 176.83 177.30 3fxy h THR 382 N 0.87 0.83 -0.11 -2.27 2.02 -1.11 -1.78 112.91 111.35 3fxy h THR 382 Ca 0.23 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 3fxy h THR 382 Cb -0.02 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3fxy h THR 382 CO -0.04 0.06 0.01 -0.07 0.37 0.00 0.00 175.52 175.85 3fxy h LEU 383 N 0.34 0.19 -0.34 2.58 3.38 -1.10 -0.43 115.31 119.91 3fxy h LEU 383 Ca 0.23 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3fxy h LEU 383 Cb 0.25 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3fxy h LEU 383 CO -0.24 0.42 -0.00 0.50 0.09 0.00 0.00 178.44 179.20 3fxy h LYS 384 N -0.05 0.09 0.06 1.13 3.64 -1.14 0.79 116.57 121.09 3fxy h LYS 384 Ca 0.03 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3fxy h LYS 384 Cb 0.31 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3fxy h LYS 384 CO 0.00 0.06 -0.03 -0.22 -2.27 0.00 0.00 179.45 176.99 3fxy h LYS 385 N 0.09 -0.08 -0.58 1.90 3.64 -1.28 -1.95 116.57 118.31 3fxy h LYS 385 Ca 0.17 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3fxy h LYS 385 Cb 0.23 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3fxy h LYS 385 CO -0.28 0.04 0.29 0.00 -2.27 0.00 0.00 179.45 177.22 3fxy h ALA 386 N 0.75 1.42 -0.00 5.00 0.00 -0.80 -1.88 119.26 123.74 3fxy h ALA 386 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fxy h ALA 386 Cb 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3fxy h ALA 386 CO 0.01 0.46 -0.02 1.28 0.00 0.00 0.00 179.25 180.98 3fxy n LEU 387 N -4.37 0.47 -2.52 0.00 4.77 0.25 -4.92 117.00 110.69 3fxy n LEU 387 Ca 0.05 -0.10 -0.18 0.00 -0.03 0.00 0.00 56.01 55.74 3fxy n LEU 387 Cb 0.12 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3fxy n LEU 387 CO 0.38 0.08 -0.01 0.61 -1.33 0.00 0.00 177.39 177.12 3fxy n GLY 388 N 1.12 -0.31 3.74 -0.72 0.00 -0.71 -4.77 105.19 103.55 3fxy n GLY 388 Ca 0.20 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3fxy n GLY 388 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fxy s LEU 389 N -5.59 4.45 0.37 0.99 1.43 -0.77 -5.02 118.68 114.54 3fxy s LEU 389 Ca 0.25 2.34 -0.15 0.00 -1.03 0.00 0.00 54.13 55.53 3fxy s LEU 389 Cb -0.11 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 3fxy s LEU 389 CO 0.30 -0.39 0.79 -1.10 0.23 0.00 0.00 176.35 176.18 3fxy s GLN 390 N -0.59 4.00 -0.04 1.70 -0.21 -1.26 -4.90 119.66 118.36 3fxy s GLN 390 Ca 0.52 0.73 0.13 0.00 0.02 0.00 0.00 55.36 56.76 3fxy s GLN 390 Cb -0.34 -2.36 0.40 0.00 1.00 0.00 0.00 33.01 31.71 3fxy s GLN 390 CO 0.40 0.07 1.34 0.43 -2.12 0.00 0.00 175.29 175.40 3fxy n SER 391 N -0.64 3.32 -0.27 5.90 7.64 -1.26 -4.70 113.62 123.61 3fxy n SER 391 Ca 0.04 -2.20 0.01 0.00 1.01 0.00 0.00 58.87 57.73 3fxy n SER 391 Cb 0.53 -0.33 0.13 0.00 -1.01 0.00 0.00 64.21 63.54 3fxy n SER 391 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fxy h ALA 392 N 2.35 1.06 0.00 -0.43 0.00 -2.00 -2.08 119.26 118.16 3fxy h ALA 392 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fxy h ALA 392 Cb 0.93 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3fxy h ALA 392 CO 0.05 0.11 0.00 0.66 0.00 0.00 0.00 179.25 180.08 3fxy h SER 393 N 0.78 0.00 -0.40 0.00 4.64 -1.97 -2.75 113.55 113.84 3fxy h SER 393 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3fxy h SER 393 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3fxy h SER 393 CO -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.75 3fxy n THR 395 N 0.64 1.11 -4.01 0.00 5.66 -1.04 -4.88 114.28 111.76 3fxy n THR 395 Ca 0.15 -0.28 -0.31 0.00 -3.05 0.00 0.00 64.05 60.56 3fxy n THR 395 Cb 0.51 -1.51 -0.15 0.00 -1.55 0.00 0.00 70.33 67.63 3fxy n THR 395 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fxy s ALA 396 N -0.21 2.68 0.86 1.79 0.00 -1.26 -4.94 121.76 120.68 3fxy s ALA 396 Ca 0.66 -2.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.26 3fxy s ALA 396 Cb -0.63 -1.83 0.11 0.00 0.00 0.00 0.00 23.12 20.77 3fxy s ALA 396 CO 0.51 -1.55 1.15 -1.25 0.00 0.00 0.00 175.76 174.62 3fxy s PRO 397 N 1.02 1.54 -1.41 0.00 0.04 -1.26 -4.92 135.00 130.02 3fxy s PRO 397 Ca 0.06 0.27 -0.10 0.00 0.04 0.00 0.00 61.00 61.27 3fxy s PRO 397 Cb -0.19 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 3fxy s PRO 397 CO -0.08 -1.92 2.67 0.00 0.04 0.00 0.00 177.00 177.71 3fxy n ALA 398 N -3.57 6.59 -3.71 8.56 0.00 -1.26 -4.74 120.51 122.38 3fxy n ALA 398 Ca 0.07 -3.16 -0.17 0.00 0.00 0.00 0.00 53.44 50.18 3fxy n ALA 398 Cb 0.59 -3.30 -0.17 0.00 0.00 0.00 0.00 19.45 16.58 3fxy n ALA 398 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3fxy s GLN 399 N 2.64 -0.03 0.00 0.00 -0.21 -1.26 -5.39 119.66 115.41 3fxy s GLN 399 Ca 0.60 0.35 0.26 0.00 0.02 0.00 0.00 55.36 56.59 3fxy s GLN 399 Cb 0.16 -0.36 1.54 0.00 1.00 0.00 0.00 33.01 35.35 3fxy s GLN 399 CO -0.05 -0.26 1.90 -0.35 -2.12 0.00 0.00 175.29 174.41