#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 3.83 -0.28 -0.72 -1.52 0.01 -4.97 119.66 116.01 3fxy s GLN 23 Ca 0.00 0.27 0.01 0.00 -1.95 0.00 0.00 55.36 53.69 3fxy s GLN 23 Cb 0.00 -2.99 0.08 0.00 -0.22 0.00 0.00 33.01 29.88 3fxy s GLN 23 CO 0.00 0.55 0.02 -1.17 -0.25 0.00 0.00 175.29 174.44 3fxy s LEU 24 N -1.87 2.82 -0.25 2.90 2.96 -1.25 -1.00 118.68 122.99 3fxy s LEU 24 Ca 0.34 -1.49 -0.07 0.00 -0.22 0.00 0.00 54.13 52.69 3fxy s LEU 24 Cb -0.14 -1.14 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 3fxy s LEU 24 CO 0.18 -0.32 0.07 -0.89 -1.32 0.00 0.00 176.35 174.07 3fxy s THR 25 N 1.39 4.32 -0.15 3.68 2.01 0.65 -0.97 115.64 126.58 3fxy s THR 25 Ca 0.03 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.87 3fxy s THR 25 Cb -0.18 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.31 3fxy s THR 25 CO -0.12 0.34 -0.19 0.00 -0.69 0.00 0.00 174.62 173.96 3fxy s TYR 27 N 0.87 3.53 -0.12 0.00 2.02 -0.47 -1.35 117.35 121.82 3fxy s TYR 27 Ca -0.05 1.32 -0.05 0.00 -0.37 0.00 0.00 57.07 57.92 3fxy s TYR 27 Cb -0.15 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.44 3fxy s TYR 27 CO -0.02 -0.05 0.06 0.12 -1.57 0.00 0.00 175.55 174.09 3fxy s PHE 28 N 1.34 3.32 -0.14 2.71 5.36 0.24 -0.52 117.98 130.29 3fxy s PHE 28 Ca 0.40 0.26 -0.01 0.00 -0.96 0.00 0.00 56.93 56.62 3fxy s PHE 28 Cb -0.18 -1.91 -0.02 0.00 -0.34 0.00 0.00 43.02 40.58 3fxy s PHE 28 CO 0.18 0.47 -0.11 0.95 -1.46 0.00 0.00 175.22 175.24 3fxy s THR 29 N -0.60 3.16 -2.00 0.12 -4.23 -1.26 -0.77 115.64 110.06 3fxy s THR 29 Ca 0.11 -0.62 0.11 0.00 -1.18 0.00 0.00 61.69 60.11 3fxy s THR 29 Cb -0.12 -2.34 0.30 0.00 1.34 0.00 0.00 72.50 71.68 3fxy s THR 29 CO 0.02 0.51 1.40 -0.46 -0.54 0.00 0.00 174.62 175.56 3fxy n ASN 30 N 3.62 0.02 -0.16 3.99 6.94 0.33 -2.21 115.26 127.79 3fxy n ASN 30 Ca -0.18 -1.67 0.08 0.00 -0.02 0.00 0.00 54.58 52.78 3fxy n ASN 30 Cb 0.53 -0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.89 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 -0.65 0.00 0.30 -2.53 2.14 -1.26 -4.40 117.44 111.04 3fxy n TRP 31 Ca 0.08 0.00 0.16 0.00 2.07 0.00 0.00 57.50 59.80 3fxy n TRP 31 Cb 0.04 0.00 0.93 0.00 -0.81 0.00 0.00 31.31 31.47 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 2.56 1.48 -0.12 -1.67 0.00 -1.72 -2.30 119.26 117.49 3fxy h ALA 32 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3fxy h ALA 32 Cb 0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3fxy h ALA 32 CO 0.00 0.01 0.12 -0.56 0.00 0.00 0.00 179.25 178.82 3fxy h GLN 33 N 0.00 0.00 -0.02 0.00 3.07 -1.76 -2.62 115.11 113.78 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 0.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.58 3fxy h GLN 33 CO 0.00 0.00 -0.04 0.66 0.09 0.00 0.00 178.83 179.54 3fxy n TYR 34 N -3.89 0.00 -2.46 0.06 4.01 -0.87 -4.74 117.16 109.28 3fxy n TYR 34 Ca -0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 3fxy n TYR 34 Cb 0.23 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.20 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 -2.07 4.61 0.35 -0.72 0.52 -1.00 -4.98 118.95 115.64 3fxy s ARG 35 Ca 0.35 1.81 -0.28 0.00 -0.52 0.00 0.00 55.73 57.09 3fxy s ARG 35 Cb 0.21 -3.21 -0.10 0.00 0.52 0.00 0.00 34.95 32.37 3fxy s ARG 35 CO 0.36 0.14 1.29 -1.25 0.02 0.00 0.00 175.30 175.86 3fxy s PRO 36 N -1.13 4.28 3.76 3.54 0.04 -1.26 -2.78 135.00 141.46 3fxy s PRO 36 Ca 0.46 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.67 3fxy s PRO 36 Cb -0.32 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3fxy s PRO 36 CO 0.40 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.62 3fxy n GLY 37 N 0.78 2.85 0.32 0.56 0.00 -1.26 -1.55 105.19 106.88 3fxy n GLY 37 Ca 0.01 0.31 0.21 0.00 0.00 0.00 0.00 46.02 46.55 3fxy n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fxy h LEU 38 N 0.00 0.00 -0.25 0.99 3.38 -2.00 -2.79 115.31 114.63 3fxy h LEU 38 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3fxy h LEU 38 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3fxy h LEU 38 CO 0.00 0.00 -0.38 1.23 0.09 0.00 0.00 178.44 179.38 3fxy h GLY 39 N 0.29 0.00 -5.07 0.83 0.00 -1.52 -3.46 103.07 94.13 3fxy h GLY 39 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3fxy h GLY 39 CO 0.00 0.00 1.05 -2.13 0.00 0.00 0.00 176.54 175.46 3fxy n ARG 40 N -3.25 2.60 -4.16 4.80 0.63 -1.06 -4.73 116.66 111.49 3fxy n ARG 40 Ca 0.02 0.95 -0.24 0.00 -0.92 0.00 0.00 57.85 57.65 3fxy n ARG 40 Cb 0.64 -2.81 -0.17 0.00 0.45 0.00 0.00 32.46 30.57 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 2.46 1.22 0.30 -0.14 5.36 -1.12 -4.99 117.98 121.08 3fxy s PHE 41 Ca 0.82 -0.50 0.11 0.00 -0.96 0.00 0.00 56.93 56.41 3fxy s PHE 41 Cb -0.54 -1.01 -0.05 0.00 -0.34 0.00 0.00 43.02 41.07 3fxy s PHE 41 CO 0.39 -0.35 -0.16 -1.64 -1.46 0.00 0.00 175.22 172.00 3fxy s MET 42 N 1.24 1.74 0.47 10.12 -1.94 -1.26 -3.48 119.30 126.18 3fxy s MET 42 Ca -0.05 -1.82 0.20 0.00 -1.71 0.00 0.00 55.69 52.32 3fxy s MET 42 Cb -0.14 -1.76 1.20 0.00 2.01 0.00 0.00 34.83 36.15 3fxy s MET 42 CO -0.02 0.27 1.94 -1.35 -0.01 0.00 0.00 175.02 175.84 3fxy h PRO 43 N 2.18 0.24 0.00 2.03 0.11 -1.95 0.10 132.00 134.71 3fxy h PRO 43 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3fxy h PRO 43 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3fxy h PRO 43 CO 0.63 0.16 0.00 -0.25 -0.21 0.00 0.00 178.00 178.33 3fxy n ASP 44 N -4.43 0.00 -0.02 -2.05 8.00 -1.26 -1.63 116.55 115.16 3fxy n ASP 44 Ca 0.14 -0.02 0.14 0.00 0.71 0.00 0.00 54.79 55.76 3fxy n ASP 44 Cb 0.61 -0.28 0.57 0.00 -0.02 0.00 0.00 41.12 41.99 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 -1.28 0.18 -4.69 -2.24 8.00 0.35 -4.84 116.55 112.02 3fxy n ASP 45 Ca 0.10 0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.24 3fxy n ASP 45 Cb 0.17 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 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 4.71 -0.27 0.53 1.01 -0.64 -5.01 121.20 118.67 3fxy s ILE 46 Ca 0.18 1.98 -0.29 0.00 0.00 0.00 0.00 60.65 62.52 3fxy s ILE 46 Cb 0.19 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 3fxy s ILE 46 CO 0.54 0.01 1.40 0.21 0.00 0.00 0.00 174.94 177.10 3fxy s ASN 47 N 1.15 6.58 0.26 3.58 2.47 -1.26 -4.91 114.94 122.81 3fxy s ASN 47 Ca 0.50 1.34 0.22 0.00 0.42 0.00 0.00 52.86 55.33 3fxy s ASN 47 Cb -0.19 -2.54 0.99 0.00 -1.45 0.00 0.00 41.25 38.06 3fxy s ASN 47 CO 0.19 -1.13 1.66 -0.81 -3.72 0.00 0.00 177.10 173.29 3fxy n PRO 48 N 7.42 0.16 -0.46 0.43 -0.04 -1.26 -2.30 135.00 138.95 3fxy n PRO 48 Ca 0.16 0.49 0.11 0.00 -0.04 0.00 0.00 63.50 64.22 3fxy n PRO 48 Cb 0.46 -1.87 0.34 0.00 -0.04 0.00 0.00 33.50 32.39 3fxy n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fxy h LEU 50 N 4.27 0.00 -9.39 0.00 3.38 -1.88 -3.49 115.31 108.20 3fxy h LEU 50 Ca 0.00 -0.65 -0.62 0.00 0.09 0.00 0.00 57.88 56.70 3fxy h LEU 50 Cb 1.15 -0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 3fxy h LEU 50 CO 0.08 1.36 -0.70 0.00 0.09 0.00 0.00 178.44 179.27 3fxy h THR 52 N 2.65 1.16 -3.79 0.00 1.35 -1.42 -3.45 112.91 109.41 3fxy h THR 52 Ca -0.47 -2.90 -0.54 0.00 -0.55 0.00 0.00 66.41 61.95 3fxy h THR 52 Cb 1.20 2.64 -0.32 0.00 -1.73 0.00 0.00 68.15 69.95 3fxy h THR 52 CO 0.56 0.74 -0.83 -1.00 -0.25 0.00 0.00 175.52 174.74 3fxy s HIS 53 N -2.63 1.57 -0.11 4.73 3.76 -0.88 -1.75 115.29 119.98 3fxy s HIS 53 Ca -0.05 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.41 3fxy s HIS 53 Cb 0.08 -1.08 -0.00 0.00 1.11 0.00 0.00 32.58 32.69 3fxy s HIS 53 CO 0.83 -0.18 -0.21 -0.51 -0.85 0.00 0.00 174.74 173.82 3fxy s LEU 54 N 0.18 2.25 -0.13 0.89 1.43 -0.47 -0.87 118.68 121.96 3fxy s LEU 54 Ca -0.06 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 3fxy s LEU 54 Cb -0.12 -1.46 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 3fxy s LEU 54 CO 0.02 0.16 -0.18 -0.63 0.23 0.00 0.00 176.35 175.95 3fxy s ILE 55 N 0.32 2.50 -0.34 -0.59 1.01 -0.45 -0.50 121.20 123.15 3fxy s ILE 55 Ca -0.16 -0.85 -0.20 0.00 0.00 0.00 0.00 60.65 59.44 3fxy s ILE 55 Cb -0.17 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.28 3fxy s ILE 55 CO 0.08 0.54 0.59 -0.47 0.00 0.00 0.00 174.94 175.68 3fxy s TYR 56 N 0.50 3.18 -0.16 3.97 5.04 0.61 -0.60 117.35 129.90 3fxy s TYR 56 Ca -0.12 0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 54.87 3fxy s TYR 56 Cb -0.16 -3.01 -0.01 0.00 0.35 0.00 0.00 41.96 39.12 3fxy s TYR 56 CO 0.05 -0.54 -0.12 0.00 -1.34 0.00 0.00 175.55 173.60 3fxy s ALA 57 N 2.57 2.63 0.12 3.97 0.00 0.06 0.11 121.76 131.21 3fxy s ALA 57 Ca 0.23 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.23 3fxy s ALA 57 Cb -0.15 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 3fxy s ALA 57 CO 0.13 0.02 -0.10 -0.06 0.00 0.00 0.00 175.76 175.75 3fxy s PHE 58 N 0.73 1.13 0.52 0.00 0.40 -1.26 -0.51 117.98 118.98 3fxy s PHE 58 Ca -0.05 -0.71 -0.05 0.00 -0.60 0.00 0.00 56.93 55.51 3fxy s PHE 58 Cb -0.15 -0.60 -0.02 0.00 0.51 0.00 0.00 43.02 42.75 3fxy s PHE 58 CO 0.02 0.02 0.82 0.00 0.70 0.00 0.00 175.22 176.78 3fxy s ALA 59 N -2.86 3.38 0.00 5.36 0.00 0.14 -4.65 121.76 123.14 3fxy s ALA 59 Ca 0.10 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3fxy s ALA 59 Cb -0.00 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.54 3fxy s ALA 59 CO -0.00 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.67 3fxy n GLY 60 N -2.36 4.08 2.98 0.00 0.00 0.13 -3.20 105.19 106.82 3fxy n GLY 60 Ca 0.02 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.03 0.14 -0.07 1.61 1.75 -1.26 -1.01 119.30 119.43 3fxy s MET 61 Ca 0.00 0.33 0.00 0.00 -1.25 0.00 0.00 55.69 54.77 3fxy s MET 61 Cb 0.00 -0.07 0.02 0.00 2.84 0.00 0.00 34.83 37.62 3fxy s MET 61 CO 0.00 -0.11 -0.04 -0.65 -0.65 0.00 0.00 175.02 173.57 3fxy s GLN 62 N 0.77 0.97 -1.44 4.11 -0.21 -0.11 -4.88 119.66 118.87 3fxy s GLN 62 Ca -0.06 -0.10 -0.02 0.00 0.02 0.00 0.00 55.36 55.20 3fxy s GLN 62 Cb -0.07 -1.06 0.02 0.00 1.00 0.00 0.00 33.01 32.89 3fxy s GLN 62 CO -0.04 -0.17 0.45 0.09 -2.12 0.00 0.00 175.29 173.50 3fxy n ASN 63 N 4.49 -0.63 -1.14 5.90 3.02 -1.26 -1.11 115.26 124.53 3fxy n ASN 63 Ca -0.17 -1.01 -0.15 0.00 -0.03 0.00 0.00 54.58 53.21 3fxy n ASN 63 Cb 0.51 -2.99 -0.06 0.00 -0.61 0.00 0.00 39.78 36.62 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 -2.95 -4.91 -4.27 6.41 3.02 -1.26 -4.97 115.26 106.34 3fxy n ASN 64 Ca -0.27 0.37 -0.30 0.00 -0.03 0.00 0.00 54.58 54.35 3fxy n ASN 64 Cb 0.67 -3.72 -0.16 0.00 -0.61 0.00 0.00 39.78 35.96 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 -3.24 2.02 0.46 3.52 2.02 -0.27 -2.40 118.70 120.81 3fxy s GLU 65 Ca 0.00 -0.85 -0.25 0.00 0.02 0.00 0.00 54.97 53.89 3fxy s GLU 65 Cb 0.00 -1.90 -0.08 0.00 0.10 0.00 0.00 34.13 32.25 3fxy s GLU 65 CO 0.00 0.48 1.37 -1.50 0.02 0.00 0.00 175.26 175.64 3fxy s ILE 66 N -0.48 2.25 0.06 -1.63 2.07 -1.26 -0.93 121.20 121.28 3fxy s ILE 66 Ca 0.07 0.21 -0.13 0.00 -1.41 0.00 0.00 60.65 59.39 3fxy s ILE 66 Cb -0.10 -3.12 0.02 0.00 0.13 0.00 0.00 42.46 39.39 3fxy s ILE 66 CO -0.00 0.02 0.29 0.28 -1.91 0.00 0.00 174.94 173.62 3fxy s THR 67 N -1.25 0.09 1.03 4.00 -1.32 -0.18 -4.82 115.64 113.19 3fxy s THR 67 Ca 0.62 -0.77 -0.12 0.00 -1.21 0.00 0.00 61.69 60.21 3fxy s THR 67 Cb -0.41 -1.05 0.21 0.00 -1.51 0.00 0.00 72.50 69.74 3fxy s THR 67 CO 0.52 -0.42 1.07 0.42 -2.21 0.00 0.00 174.62 174.00 3fxy s THR 68 N -3.00 2.19 0.00 5.08 -4.23 -1.26 0.18 115.64 114.60 3fxy s THR 68 Ca -0.02 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 3fxy s THR 68 Cb 0.01 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.50 3fxy s THR 68 CO -0.06 -0.08 0.00 -0.38 -0.54 0.00 0.00 174.62 173.56 3fxy n ILE 69 N -4.40 0.00 -3.96 2.99 5.41 -1.26 -4.46 119.36 113.69 3fxy n ILE 69 Ca 0.05 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.49 3fxy n ILE 69 Cb 0.55 -0.36 -0.05 0.00 -0.71 0.00 0.00 39.64 39.07 3fxy n ILE 69 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3fxy s GLU 70 N -1.47 3.29 0.54 0.38 0.41 -1.26 -5.01 118.70 115.58 3fxy s GLU 70 Ca 0.00 -0.50 0.29 0.00 -0.41 0.00 0.00 54.97 54.35 3fxy s GLU 70 Cb 0.00 -2.96 1.46 0.00 -1.78 0.00 0.00 34.13 30.85 3fxy s GLU 70 CO 0.00 0.60 1.92 0.11 -0.49 0.00 0.00 175.26 177.40 3fxy h TRP 71 N 3.16 0.00 -0.15 1.61 5.08 -1.99 -2.48 115.95 121.18 3fxy h TRP 71 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3fxy h TRP 71 Cb 1.16 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 3fxy h TRP 71 CO 0.61 0.00 0.00 0.27 -1.28 0.00 0.00 178.44 178.04 3fxy n ASN 72 N -4.22 2.62 -0.25 0.11 6.94 -1.26 -4.79 115.26 114.41 3fxy n ASN 72 Ca 0.14 -2.33 0.04 0.00 -0.02 0.00 0.00 54.58 52.42 3fxy n ASN 72 Cb 0.81 -0.22 0.15 0.00 -2.36 0.00 0.00 39.78 38.15 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 0.90 -0.36 -0.77 0.53 3.32 -1.85 -0.24 116.42 117.94 3fxy h ASP 73 Ca 0.00 0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3fxy h ASP 73 Cb 0.79 0.34 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 3fxy h ASP 73 CO 0.03 -0.18 0.29 0.58 -1.72 0.00 0.00 179.24 178.25 3fxy h VAL 74 N 0.10 1.26 -0.50 -1.35 2.07 -1.87 0.65 116.25 116.60 3fxy h VAL 74 Ca 0.40 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3fxy h VAL 74 Cb 0.69 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3fxy h VAL 74 CO -0.66 0.34 0.27 0.74 0.02 0.00 0.00 177.57 178.28 3fxy h THR 75 N 1.14 1.18 -0.65 2.57 2.02 -1.63 -1.83 112.91 115.70 3fxy h THR 75 Ca 0.26 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 3fxy h THR 75 Cb 0.24 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3fxy h THR 75 CO -0.02 0.19 0.11 -0.07 0.37 0.00 0.00 175.52 176.11 3fxy h LEU 76 N 0.67 1.02 -0.65 2.58 3.38 -0.43 -2.26 115.31 119.62 3fxy h LEU 76 Ca 0.18 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 57.98 3fxy h LEU 76 Cb 0.07 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 3fxy h LEU 76 CO -0.03 1.02 0.29 1.88 0.09 0.00 0.00 178.44 181.69 3fxy h TYR 77 N 0.98 0.51 -0.36 1.13 0.05 0.60 0.24 116.97 120.12 3fxy h TYR 77 Ca 0.20 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.90 3fxy h TYR 77 Cb 0.42 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 3fxy h TYR 77 CO 0.03 0.17 -0.21 1.96 -1.05 0.00 0.00 178.16 179.06 3fxy h GLN 78 N 0.51 0.78 -0.25 4.88 4.20 -1.18 0.10 115.11 124.14 3fxy h GLN 78 Ca 0.32 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3fxy h GLN 78 Cb 0.36 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3fxy h GLN 78 CO -0.28 0.98 0.09 0.00 -0.67 0.00 0.00 178.83 178.95 3fxy h ALA 79 N 0.78 0.33 0.25 3.87 0.00 -1.18 -0.22 119.26 123.09 3fxy h ALA 79 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3fxy h ALA 79 Cb 0.76 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3fxy h ALA 79 CO 0.06 -0.06 -0.17 0.35 0.00 0.00 0.00 179.25 179.42 3fxy h PHE 80 N 0.25 -0.46 0.00 0.00 3.04 -0.37 -2.84 116.94 116.56 3fxy h PHE 80 Ca 0.08 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.98 3fxy h PHE 80 Cb 0.20 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 3fxy h PHE 80 CO -0.00 -0.27 -0.23 -0.91 -2.02 0.00 0.00 178.31 174.88 3fxy h ASN 81 N -0.42 0.00 0.30 0.41 2.35 -0.86 -2.94 115.58 114.42 3fxy h ASN 81 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3fxy h ASN 81 Cb 0.36 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 3fxy h ASN 81 CO 0.01 0.23 -0.04 1.23 -1.65 0.00 0.00 177.43 177.20 3fxy h GLY 82 N 2.93 0.00 1.58 2.83 0.00 -0.80 -2.55 103.07 107.07 3fxy h GLY 82 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3fxy h GLY 82 CO 0.03 0.00 0.17 1.41 0.00 0.00 0.00 176.54 178.15 3fxy h LEU 83 N 0.00 0.00 -1.67 3.11 3.38 -1.34 -1.40 115.31 117.39 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 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3fxy h LEU 83 CO 0.01 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.65 3fxy h LYS 84 N 0.00 0.00 0.00 1.13 1.57 -1.67 -1.48 116.57 116.12 3fxy h LYS 84 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3fxy h LYS 84 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3fxy h LYS 84 CO -0.00 0.00 -0.05 -0.91 -0.57 0.00 0.00 179.45 177.92 3fxy h ASN 85 N 0.00 0.00 0.13 0.86 2.35 -1.47 -3.20 115.58 114.26 3fxy h ASN 85 Ca 0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 3fxy h ASN 85 Cb 0.24 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 3fxy h ASN 85 CO 0.00 0.05 -2.10 0.29 -1.65 0.00 0.00 177.43 174.02 3fxy n LYS 86 N -3.15 0.67 -3.58 0.81 5.02 -0.59 -4.80 118.16 112.54 3fxy n LYS 86 Ca 0.01 -0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3fxy n LYS 86 Cb 0.36 -1.58 -0.15 0.00 -0.02 0.00 0.00 35.03 33.64 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 -5.29 3.51 0.58 4.39 2.47 -0.98 -4.59 114.94 115.03 3fxy s ASN 87 Ca -0.08 -1.28 0.34 0.00 0.42 0.00 0.00 52.86 52.26 3fxy s ASN 87 Cb 0.09 -0.42 1.74 0.00 -1.45 0.00 0.00 41.25 41.21 3fxy s ASN 87 CO 0.85 -0.43 2.15 0.77 -3.72 0.00 0.00 177.10 176.72 3fxy h SER 88 N 8.36 0.00 0.77 -4.21 4.64 -1.86 -2.39 113.55 118.85 3fxy h SER 88 Ca -0.19 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.01 3fxy h SER 88 Cb 1.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 3fxy h SER 88 CO 0.43 0.05 -0.59 -0.61 -0.87 0.00 0.00 176.83 175.24 3fxy h GLN 89 N 0.00 0.00 -6.64 4.77 4.15 -1.95 -3.45 115.11 111.98 3fxy h GLN 89 Ca -0.00 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 3fxy h GLN 89 Cb 0.27 0.00 0.07 0.00 0.21 0.00 0.00 27.48 28.03 3fxy h GLN 89 CO 0.01 0.59 0.87 -0.11 -1.93 0.00 0.00 178.83 178.26 3fxy n LEU 90 N -3.65 3.73 -4.36 -2.39 7.94 -0.90 -4.94 117.00 112.43 3fxy n LEU 90 Ca -0.01 1.10 -0.30 0.00 -1.11 0.00 0.00 56.01 55.69 3fxy n LEU 90 Cb 0.63 -1.52 -0.14 0.00 0.53 0.00 0.00 43.42 42.91 3fxy n LEU 90 CO 0.41 -0.04 -0.56 -0.54 -1.11 0.00 0.00 177.39 175.55 3fxy s LYS 91 N 0.49 1.86 0.12 1.96 1.02 -0.72 -4.90 119.74 119.57 3fxy s LYS 91 Ca 0.73 -1.08 0.08 0.00 0.02 0.00 0.00 55.97 55.72 3fxy s LYS 91 Cb -0.57 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 3fxy s LYS 91 CO 0.40 0.52 -0.15 0.95 -0.92 0.00 0.00 175.35 176.15 3fxy s THR 92 N -0.82 3.03 0.07 2.17 -4.23 -1.26 -1.37 115.64 113.23 3fxy s THR 92 Ca 0.12 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 3fxy s THR 92 Cb -0.10 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 3fxy s THR 92 CO 0.02 0.07 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.33 3fxy s LEU 93 N -2.25 2.34 -0.20 4.79 1.02 0.34 -0.41 118.68 124.31 3fxy s LEU 93 Ca 0.20 -0.71 -0.07 0.00 0.02 0.00 0.00 54.13 53.57 3fxy s LEU 93 Cb -0.10 -0.25 -0.04 0.00 0.02 0.00 0.00 46.19 45.82 3fxy s LEU 93 CO 0.12 -0.24 0.06 -0.22 0.02 0.00 0.00 176.35 176.08 3fxy s LEU 94 N -2.08 3.63 -0.08 1.79 2.96 -0.64 -0.28 118.68 123.99 3fxy s LEU 94 Ca -0.01 -0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 53.72 3fxy s LEU 94 Cb -0.06 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 3fxy s LEU 94 CO -0.00 0.10 0.38 0.00 -1.32 0.00 0.00 176.35 175.51 3fxy s ALA 95 N 0.79 3.63 -0.10 5.97 0.00 0.12 -0.82 121.76 131.35 3fxy s ALA 95 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3fxy s ALA 95 Cb -0.14 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 3fxy s ALA 95 CO 0.02 0.27 -0.11 -1.50 0.00 0.00 0.00 175.76 174.45 3fxy s ILE 96 N -0.25 3.33 0.00 0.00 2.07 -0.63 0.25 121.20 125.97 3fxy s ILE 96 Ca 0.22 -0.59 0.00 0.00 -1.41 0.00 0.00 60.65 58.87 3fxy s ILE 96 Cb -0.15 -2.38 0.00 0.00 0.13 0.00 0.00 42.46 40.06 3fxy s ILE 96 CO 0.09 0.55 0.00 0.61 -1.91 0.00 0.00 174.94 174.29 3fxy n GLY 97 N 2.93 0.21 0.00 1.50 0.00 -1.19 -0.61 105.19 108.02 3fxy n GLY 97 Ca -0.18 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.45 0.25 -0.02 0.00 0.15 -4.45 105.19 97.67 3fxy n GLY 98 Ca 0.00 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.52 -0.22 1.61 2.91 -1.92 -3.19 115.95 114.62 3fxy h TRP 99 Ca 0.00 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 59.94 3fxy h TRP 99 Cb 0.00 0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 3fxy h TRP 99 CO 0.00 -0.20 -0.16 -0.91 -1.03 0.00 0.00 178.44 176.14 3fxy h ASN 100 N -0.87 0.35 -0.93 2.65 2.35 -1.98 -2.65 115.58 114.50 3fxy h ASN 100 Ca -0.06 -0.09 0.11 0.00 -0.55 0.00 0.00 56.30 55.71 3fxy h ASN 100 Cb 0.56 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.76 3fxy h ASN 100 CO 0.09 0.54 0.60 0.15 -1.65 0.00 0.00 177.43 177.16 3fxy h PHE 101 N 0.34 1.00 -0.26 1.19 3.57 -1.78 -3.48 116.94 117.52 3fxy h PHE 101 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3fxy h PHE 101 Cb 0.48 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3fxy h PHE 101 CO 0.01 0.43 0.00 0.41 -2.23 0.00 0.00 178.31 176.93 3fxy n GLY 102 N -1.39 -0.15 0.03 2.40 0.00 -1.00 -4.61 105.19 100.46 3fxy n GLY 102 Ca 0.17 -1.01 -0.03 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 0.44 -0.25 2.61 -2.24 -1.26 -4.62 114.28 108.96 3fxy n THR 103 Ca 0.00 -0.30 -0.03 0.00 -2.27 0.00 0.00 64.05 61.45 3fxy n THR 103 Cb 0.00 -0.63 0.03 0.00 -2.10 0.00 0.00 70.33 67.63 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 0.43 0.08 -0.54 6.98 0.00 -1.89 -0.69 119.26 123.63 3fxy h ALA 104 Ca -0.17 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3fxy h ALA 104 Cb 1.30 0.80 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 3fxy h ALA 104 CO 0.01 -0.62 0.12 -1.35 0.00 0.00 0.00 179.25 177.40 3fxy h PRO 105 N -0.10 0.83 -0.16 0.00 0.11 -1.86 -1.91 132.00 128.90 3fxy h PRO 105 Ca 0.28 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3fxy h PRO 105 Cb 0.56 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3fxy h PRO 105 CO -0.76 0.75 0.08 0.74 -0.21 0.00 0.00 178.00 178.60 3fxy h PHE 106 N 0.80 0.24 -0.16 0.65 0.04 -1.59 -0.91 116.94 116.00 3fxy h PHE 106 Ca 0.17 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.98 3fxy h PHE 106 Cb 0.31 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.34 3fxy h PHE 106 CO 0.02 0.28 -0.16 1.15 -0.60 0.00 0.00 178.31 178.99 3fxy h THR 107 N 0.13 0.56 -0.61 -1.55 2.02 -0.95 -0.23 112.91 112.28 3fxy h THR 107 Ca 0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 3fxy h THR 107 Cb 0.13 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3fxy h THR 107 CO -0.01 0.00 0.40 0.00 0.37 0.00 0.00 175.52 176.28 3fxy h ALA 108 N 0.88 0.78 -0.79 6.16 0.00 -1.33 -1.54 119.26 123.42 3fxy h ALA 108 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fxy h ALA 108 Cb 0.34 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3fxy h ALA 108 CO -0.27 0.18 0.43 1.98 0.00 0.00 0.00 179.25 181.57 3fxy h MET 109 N 0.80 1.11 0.00 0.00 -1.53 -0.73 -3.05 114.93 111.52 3fxy h MET 109 Ca 0.23 -0.13 0.00 0.00 -3.44 0.00 0.00 59.70 56.36 3fxy h MET 109 Cb -0.06 -0.22 0.00 0.00 -0.55 0.00 0.00 31.60 30.78 3fxy h MET 109 CO -0.07 0.82 -0.37 -0.39 0.14 0.00 0.00 176.91 177.04 3fxy h VAL 110 N 1.10 0.00 -0.96 -5.77 -1.51 -0.87 -2.63 116.25 105.61 3fxy h VAL 110 Ca 0.28 -0.59 0.19 0.00 -1.23 0.00 0.00 66.70 65.35 3fxy h VAL 110 Cb 0.04 1.35 -0.11 0.00 -2.13 0.00 0.00 31.29 30.44 3fxy h VAL 110 CO -0.04 0.00 0.55 0.77 -1.23 0.00 0.00 177.57 177.61 3fxy h SER 111 N 0.00 0.66 -4.18 4.19 4.64 -1.17 -3.43 113.55 114.26 3fxy h SER 111 Ca 0.00 0.11 -0.44 0.00 -0.47 0.00 0.00 61.79 60.99 3fxy h SER 111 Cb 0.79 -0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.68 3fxy h SER 111 CO 0.00 0.21 -0.78 0.42 -0.87 0.00 0.00 176.83 175.81 3fxy s THR 112 N -5.87 1.34 0.37 2.95 -4.23 -1.26 -5.05 115.64 103.89 3fxy s THR 112 Ca -0.11 -1.58 0.06 0.00 -1.18 0.00 0.00 61.69 58.88 3fxy s THR 112 Cb 0.25 -1.41 0.28 0.00 1.34 0.00 0.00 72.50 72.96 3fxy s THR 112 CO 0.79 -0.30 1.99 -0.65 -0.54 0.00 0.00 174.62 175.91 3fxy h PRO 113 N 3.82 0.70 -0.33 3.99 0.11 -1.91 -2.52 132.00 135.86 3fxy h PRO 113 Ca -0.41 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3fxy h PRO 113 Cb 1.19 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3fxy h PRO 113 CO 0.46 0.46 0.16 1.49 -0.21 0.00 0.00 178.00 180.36 3fxy h GLU 114 N 0.72 0.48 -0.66 1.05 4.81 -1.96 -1.61 114.58 117.41 3fxy h GLU 114 Ca 0.26 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3fxy h GLU 114 Cb 0.14 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3fxy h GLU 114 CO -0.08 0.44 0.11 -0.91 -0.73 0.00 0.00 179.01 177.84 3fxy h ASN 115 N 0.40 1.05 -0.47 1.04 4.21 -1.74 -1.27 115.58 118.80 3fxy h ASN 115 Ca 0.11 -0.26 -0.02 0.00 1.21 0.00 0.00 56.30 57.34 3fxy h ASN 115 Cb 0.11 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.02 3fxy h ASN 115 CO -0.01 1.04 0.21 0.03 -1.29 0.00 0.00 177.43 177.40 3fxy h ARG 116 N 1.01 0.68 -0.34 0.81 3.08 -1.06 -1.32 114.38 117.24 3fxy h ARG 116 Ca 0.20 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 3fxy h ARG 116 Cb 0.44 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3fxy h ARG 116 CO 0.01 0.60 -0.26 1.96 -1.07 0.00 0.00 179.97 181.21 3fxy h GLN 117 N 0.61 0.70 -0.27 0.04 1.08 -1.19 0.63 115.11 116.70 3fxy h GLN 117 Ca 0.16 -0.29 0.03 0.00 -1.45 0.00 0.00 58.65 57.10 3fxy h GLN 117 Cb 0.15 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 3fxy h GLN 117 CO -0.02 0.89 0.07 1.15 -0.95 0.00 0.00 178.83 179.97 3fxy h THR 118 N 0.60 0.89 -0.22 -0.54 2.02 -1.09 -0.88 112.91 113.69 3fxy h THR 118 Ca 0.08 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3fxy h THR 118 Cb 0.76 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3fxy h THR 118 CO 0.06 0.03 0.10 0.15 0.37 0.00 0.00 175.52 176.23 3fxy h PHE 119 N 0.17 0.32 -0.39 3.16 3.57 -0.88 -2.23 116.94 120.67 3fxy h PHE 119 Ca 0.12 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3fxy h PHE 119 Cb 0.11 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3fxy h PHE 119 CO -0.15 0.33 0.25 0.82 -2.23 0.00 0.00 178.31 177.33 3fxy h ILE 120 N 0.22 1.08 -0.25 1.41 2.04 -0.72 -0.46 117.51 120.83 3fxy h ILE 120 Ca 0.08 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3fxy h ILE 120 Cb 0.13 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 3fxy h ILE 120 CO -0.01 0.09 -0.10 0.74 0.00 0.00 0.00 178.15 178.88 3fxy h THR 121 N 0.50 0.67 -1.01 -0.27 2.02 -1.14 -1.69 112.91 111.99 3fxy h THR 121 Ca 0.15 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.35 3fxy h THR 121 Cb -0.04 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 3fxy h THR 121 CO -0.05 0.00 0.66 0.77 0.37 0.00 0.00 175.52 177.28 3fxy h SER 122 N -0.05 1.13 -0.06 4.18 4.64 -0.99 -2.86 113.55 119.54 3fxy h SER 122 Ca 0.13 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3fxy h SER 122 Cb 0.25 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3fxy h SER 122 CO -0.29 0.80 0.02 0.58 -0.87 0.00 0.00 176.83 177.07 3fxy h VAL 123 N 1.33 1.18 -0.37 0.95 2.07 -0.56 -1.11 116.25 119.74 3fxy h VAL 123 Ca 0.38 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.40 3fxy h VAL 123 Cb -0.09 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3fxy h VAL 123 CO -0.10 0.16 0.09 0.40 0.02 0.00 0.00 177.57 178.14 3fxy h ILE 124 N -0.11 0.84 -0.23 4.57 2.04 -1.24 -0.71 117.51 122.67 3fxy h ILE 124 Ca 0.02 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3fxy h ILE 124 Cb 0.23 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3fxy h ILE 124 CO -0.00 0.04 0.15 0.11 0.00 0.00 0.00 178.15 178.45 3fxy h LYS 125 N 0.22 0.30 -0.16 2.37 1.57 -1.46 -2.48 116.57 116.94 3fxy h LYS 125 Ca 0.17 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3fxy h LYS 125 Cb 0.19 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3fxy h LYS 125 CO -0.22 0.21 0.09 0.35 -0.57 0.00 0.00 179.45 179.31 3fxy h PHE 126 N 0.31 0.21 -0.23 -1.35 3.04 -0.76 -2.47 116.94 115.69 3fxy h PHE 126 Ca 0.08 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 3fxy h PHE 126 Cb -0.03 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 3fxy h PHE 126 CO -0.06 0.19 -0.00 -0.07 -2.02 0.00 0.00 178.31 176.34 3fxy h LEU 127 N 0.17 0.39 -0.64 0.59 3.38 -1.11 -3.02 115.31 115.08 3fxy h LEU 127 Ca 0.06 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3fxy h LEU 127 Cb 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3fxy h LEU 127 CO -0.01 0.61 0.25 0.03 0.09 0.00 0.00 178.44 179.41 3fxy h ARG 128 N 0.17 0.96 -0.09 1.13 2.47 -1.45 -0.36 114.38 117.21 3fxy h ARG 128 Ca 0.06 -0.18 -0.07 0.00 -1.26 0.00 0.00 59.98 58.54 3fxy h ARG 128 Cb 0.41 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 3fxy h ARG 128 CO 0.01 0.81 -0.26 -0.56 0.56 0.00 0.00 179.97 180.54 3fxy h GLN 129 N 0.90 0.15 -0.02 0.04 3.07 -1.45 -2.88 115.11 114.92 3fxy h GLN 129 Ca 0.21 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.91 3fxy h GLN 129 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.76 3fxy h GLN 129 CO -0.02 0.41 -0.31 0.66 0.09 0.00 0.00 178.83 179.66 3fxy n TYR 130 N -4.18 0.00 -3.10 0.06 4.01 -1.14 -4.98 117.16 107.83 3fxy n TYR 130 Ca -0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 3fxy n TYR 130 Cb 0.34 -0.02 0.05 0.00 -0.31 0.00 0.00 39.34 39.40 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 0.21 -4.84 -2.87 -0.72 1.02 -0.34 -4.82 120.64 108.28 3fxy n GLU 131 Ca 0.11 0.61 -0.37 0.00 -0.02 0.00 0.00 57.16 57.49 3fxy n GLU 131 Cb 0.47 -4.91 -0.06 0.00 -0.02 0.00 0.00 31.44 26.92 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 -3.14 3.68 -1.85 -0.32 0.08 -0.29 -4.89 117.98 111.24 3fxy s PHE 132 Ca 0.34 1.67 0.26 0.00 0.12 0.00 0.00 56.93 59.33 3fxy s PHE 132 Cb -0.15 -2.84 0.69 0.00 -0.57 0.00 0.00 43.02 40.15 3fxy s PHE 132 CO 0.42 0.24 1.52 -0.25 -0.10 0.00 0.00 175.22 177.06 3fxy n ASP 133 N 0.59 1.19 0.00 1.36 8.00 0.45 -4.54 116.55 123.61 3fxy n ASP 133 Ca 0.01 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.49 3fxy n ASP 133 Cb 0.50 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 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 1.34 -0.81 3.43 0.44 0.00 -1.06 -0.96 105.19 107.56 3fxy n GLY 134 Ca 0.12 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 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 2.75 -0.24 0.99 2.96 -0.34 -1.62 118.68 123.18 3fxy s LEU 135 Ca 0.00 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.61 3fxy s LEU 135 Cb 0.00 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 3fxy s LEU 135 CO 0.00 0.26 0.00 -0.62 -1.32 0.00 0.00 176.35 174.67 3fxy s ASP 136 N -0.19 4.62 -0.18 3.68 2.15 0.00 -0.98 116.67 125.77 3fxy s ASP 136 Ca 0.00 -0.42 -0.29 0.00 0.43 0.00 0.00 52.55 52.27 3fxy s ASP 136 Cb -0.13 -1.80 -0.00 0.00 -0.30 0.00 0.00 42.92 40.69 3fxy s ASP 136 CO 0.03 -0.05 1.07 -0.36 -0.17 0.00 0.00 175.17 175.68 3fxy s PHE 137 N 1.51 3.32 -0.57 -5.34 0.40 0.21 -1.60 117.98 115.91 3fxy s PHE 137 Ca 0.05 1.43 0.05 0.00 -0.60 0.00 0.00 56.93 57.86 3fxy s PHE 137 Cb -0.15 -3.29 0.36 0.00 0.51 0.00 0.00 43.02 40.46 3fxy s PHE 137 CO -0.01 -0.61 1.05 -0.25 0.70 0.00 0.00 175.22 176.10 3fxy n ASP 138 N 5.93 4.74 -4.63 1.36 10.43 0.22 -0.54 116.55 134.07 3fxy n ASP 138 Ca 0.11 -3.70 -0.43 0.00 2.57 0.00 0.00 54.79 53.34 3fxy n ASP 138 Cb 0.47 -0.57 -0.02 0.00 1.84 0.00 0.00 41.12 42.84 3fxy n ASP 138 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3fxy s TRP 139 N -3.55 2.93 -0.56 1.24 -0.11 -1.26 -0.67 118.94 116.96 3fxy s TRP 139 Ca 0.48 0.99 -0.00 0.00 1.22 0.00 0.00 56.10 58.79 3fxy s TRP 139 Cb 0.31 -3.94 0.14 0.00 -1.50 0.00 0.00 33.47 28.49 3fxy s TRP 139 CO -0.16 -1.17 0.35 -1.21 -4.62 0.00 0.00 176.95 170.14 3fxy s GLU 140 N 4.01 2.28 0.06 5.86 2.02 -1.26 -4.16 118.70 127.52 3fxy s GLU 140 Ca 0.49 -2.48 -0.00 0.00 0.02 0.00 0.00 54.97 53.00 3fxy s GLU 140 Cb -0.12 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 3fxy s GLU 140 CO 0.22 -1.13 -0.04 0.71 0.02 0.00 0.00 175.26 175.03 3fxy s TYR 141 N -0.00 0.63 0.37 1.61 1.51 -1.24 -4.62 117.35 115.60 3fxy s TYR 141 Ca 0.16 -1.03 -0.28 0.00 -1.01 0.00 0.00 57.07 54.91 3fxy s TYR 141 Cb -0.22 -0.43 -0.11 0.00 -0.11 0.00 0.00 41.96 41.09 3fxy s TYR 141 CO -0.03 -0.32 1.50 -2.30 -1.11 0.00 0.00 175.55 173.29 3fxy n PRO 142 N 0.06 2.70 -0.92 -1.71 -0.02 -1.26 -2.54 135.00 131.32 3fxy n PRO 142 Ca -0.13 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3fxy n PRO 142 Cb 0.61 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3fxy n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fxy n GLY 143 N 0.57 0.65 3.54 -1.23 0.00 -1.25 -3.83 105.19 103.64 3fxy n GLY 143 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3fxy n GLY 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fxy s SER 144 N -2.53 0.63 -1.55 1.61 1.04 -1.05 -4.77 113.70 107.07 3fxy s SER 144 Ca 0.00 -1.35 -0.12 0.00 0.48 0.00 0.00 55.95 54.95 3fxy s SER 144 Cb 0.00 0.67 0.09 0.00 0.10 0.00 0.00 66.02 66.88 3fxy s SER 144 CO 0.00 -1.32 0.82 0.54 0.98 0.00 0.00 173.24 174.27 3fxy n ARG 145 N -0.53 -4.43 0.00 4.02 1.74 -1.26 -2.09 116.66 114.12 3fxy n ARG 145 Ca -0.01 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3fxy n ARG 145 Cb 0.61 -5.21 0.00 0.00 -1.02 0.00 0.00 32.46 26.84 3fxy n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fxy n GLY 146 N -1.63 3.10 3.71 -0.13 0.00 -1.26 -4.43 105.19 104.54 3fxy n GLY 146 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.14 6.77 0.71 1.61 0.15 -0.89 -4.97 113.70 116.95 3fxy s SER 147 Ca 0.00 2.33 -0.11 0.00 0.70 0.00 0.00 55.95 58.88 3fxy s SER 147 Cb 0.00 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 3fxy s SER 147 CO 0.00 -0.72 1.07 -2.16 1.20 0.00 0.00 173.24 172.63 3fxy s PRO 148 N 1.61 2.76 0.53 5.44 0.04 -1.26 -3.13 135.00 140.98 3fxy s PRO 148 Ca 0.66 1.03 0.25 0.00 0.04 0.00 0.00 61.00 62.98 3fxy s PRO 148 Cb -0.37 -1.96 1.39 0.00 0.04 0.00 0.00 34.50 33.60 3fxy s PRO 148 CO 0.30 -1.25 2.01 -1.35 0.04 0.00 0.00 177.00 176.75 3fxy h PRO 149 N -0.79 0.00 0.00 0.56 0.11 -1.92 -2.00 132.00 127.95 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 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3fxy h PRO 149 CO 0.55 0.00 -0.01 -0.56 -0.21 0.00 0.00 178.00 177.77 3fxy h GLN 150 N 0.00 0.00 0.00 1.05 -0.00 -1.96 -2.91 115.11 111.29 3fxy h GLN 150 Ca 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.86 3fxy h GLN 150 Cb 0.95 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.43 3fxy h GLN 150 CO -0.00 0.01 -0.11 -0.44 -0.00 0.00 0.00 178.83 178.29 3fxy h ASP 151 N 0.00 0.00 0.54 0.06 5.19 -1.73 -1.75 116.42 118.73 3fxy h ASP 151 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3fxy h ASP 151 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 3fxy h ASP 151 CO 0.00 0.11 -0.28 0.50 -3.12 0.00 0.00 179.24 176.44 3fxy h LYS 152 N 0.00 -0.74 -0.46 3.56 3.64 -1.70 -0.63 116.57 120.24 3fxy h LYS 152 Ca -0.00 0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 3fxy h LYS 152 Cb 0.46 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3fxy h LYS 152 CO 0.01 -0.49 -0.12 1.25 -2.27 0.00 0.00 179.45 177.83 3fxy h HIS 153 N -0.76 1.02 0.00 1.91 2.76 -1.74 -3.20 115.15 115.13 3fxy h HIS 153 Ca -0.07 -0.22 -0.02 0.00 -2.20 0.00 0.00 60.37 57.85 3fxy h HIS 153 Cb 0.60 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 3fxy h HIS 153 CO -0.06 1.00 -0.11 -0.07 -1.30 0.00 0.00 177.93 177.39 3fxy h LEU 154 N 0.74 0.00 -0.44 0.26 3.38 -1.25 -1.50 115.31 116.50 3fxy h LEU 154 Ca 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3fxy h LEU 154 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3fxy h LEU 154 CO 0.05 0.11 -0.05 0.15 0.09 0.00 0.00 178.44 178.78 3fxy h PHE 155 N 0.00 0.91 -0.57 1.13 3.57 -1.10 -0.44 116.94 120.43 3fxy h PHE 155 Ca -0.00 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 3fxy h PHE 155 Cb 0.28 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3fxy h PHE 155 CO 0.00 0.90 0.34 1.15 -2.23 0.00 0.00 178.31 178.47 3fxy h THR 156 N 0.65 1.17 -0.35 4.41 2.02 -1.35 -1.48 112.91 117.98 3fxy h THR 156 Ca 0.12 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 66.94 3fxy h THR 156 Cb 0.57 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3fxy h THR 156 CO 0.03 0.17 0.19 0.58 0.37 0.00 0.00 175.52 176.87 3fxy h VAL 157 N 0.76 1.02 -0.13 3.16 2.07 -1.20 -0.23 116.25 121.70 3fxy h VAL 157 Ca 0.20 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3fxy h VAL 157 Cb -0.02 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3fxy h VAL 157 CO -0.04 0.07 -0.04 0.25 0.02 0.00 0.00 177.57 177.83 3fxy h LEU 158 N 0.40 -0.15 -0.53 2.57 5.85 -0.85 -0.62 115.31 121.97 3fxy h LEU 158 Ca 0.14 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3fxy h LEU 158 Cb 0.02 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3fxy h LEU 158 CO -0.07 -0.06 0.07 0.58 -0.34 0.00 0.00 178.44 178.61 3fxy h VAL 159 N -0.02 1.26 -0.05 1.05 2.07 -1.06 0.15 116.25 119.66 3fxy h VAL 159 Ca 0.07 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.62 3fxy h VAL 159 Cb 0.12 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3fxy h VAL 159 CO -0.14 0.36 -0.08 -0.61 0.02 0.00 0.00 177.57 177.11 3fxy h GLN 160 N 0.78 -0.11 -0.66 1.57 4.15 -0.91 0.10 115.11 120.03 3fxy h GLN 160 Ca 0.16 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 3fxy h GLN 160 Cb 0.44 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 3fxy h GLN 160 CO 0.01 -0.08 0.28 0.93 -1.93 0.00 0.00 178.83 178.05 3fxy h GLU 161 N -0.12 0.96 -0.44 1.69 5.08 -0.80 -1.43 114.58 119.53 3fxy h GLU 161 Ca 0.05 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 3fxy h GLU 161 Cb 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3fxy h GLU 161 CO -0.12 0.78 -0.26 1.98 -1.00 0.00 0.00 179.01 180.39 3fxy h MET 162 N 0.95 0.95 -0.35 2.33 4.05 -0.46 -2.15 114.93 120.25 3fxy h MET 162 Ca 0.23 -0.43 0.04 0.00 -0.28 0.00 0.00 59.70 59.25 3fxy h MET 162 Cb 0.16 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.91 3fxy h MET 162 CO -0.02 1.10 0.13 -0.09 0.23 0.00 0.00 176.91 178.26 3fxy h ARG 163 N 0.78 0.28 -0.43 0.39 9.65 -0.39 -0.97 114.38 123.68 3fxy h ARG 163 Ca 0.09 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 3fxy h ARG 163 Cb 0.84 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.34 3fxy h ARG 163 CO 0.07 0.18 0.03 0.93 2.80 0.00 0.00 179.97 183.98 3fxy h GLU 164 N 0.28 0.75 -0.64 0.20 5.08 -1.21 -1.82 114.58 117.23 3fxy h GLU 164 Ca 0.16 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3fxy h GLU 164 Cb 0.12 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3fxy h GLU 164 CO -0.15 0.80 0.42 0.00 -1.00 0.00 0.00 179.01 179.08 3fxy h ALA 165 N 0.92 0.81 -0.52 3.43 0.00 -1.25 -1.56 119.26 121.09 3fxy h ALA 165 Ca 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3fxy h ALA 165 Cb 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fxy h ALA 165 CO 0.02 0.25 0.26 0.74 0.00 0.00 0.00 179.25 180.52 3fxy h PHE 166 N 0.87 0.73 -0.70 0.00 -1.00 -1.00 -0.85 116.94 115.00 3fxy h PHE 166 Ca 0.23 -0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.91 3fxy h PHE 166 Cb -0.09 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.21 3fxy h PHE 166 CO -0.03 0.56 0.15 0.93 -1.61 0.00 0.00 178.31 178.32 3fxy h GLU 167 N 0.69 1.13 -0.19 1.51 5.08 -1.15 -0.68 114.58 120.96 3fxy h GLU 167 Ca 0.18 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3fxy h GLU 167 Cb 0.10 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3fxy h GLU 167 CO -0.02 1.01 -0.01 1.96 -1.00 0.00 0.00 179.01 180.94 3fxy h GLN 168 N 1.07 0.35 -0.92 2.33 1.08 -1.15 -2.92 115.11 114.94 3fxy h GLN 168 Ca 0.22 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.31 3fxy h GLN 168 Cb 0.40 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.75 3fxy h GLN 168 CO 0.01 0.56 0.61 1.49 -0.95 0.00 0.00 178.83 180.55 3fxy h GLU 169 N 0.09 1.21 -0.63 1.46 4.22 -1.02 -1.46 114.58 118.46 3fxy h GLU 169 Ca 0.05 -0.07 0.02 0.00 0.08 0.00 0.00 59.36 59.44 3fxy h GLU 169 Cb 0.41 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3fxy h GLU 169 CO 0.01 0.80 0.39 0.00 -2.18 0.00 0.00 179.01 178.04 3fxy h ALA 170 N 1.43 0.81 -0.01 2.92 0.00 -1.07 -1.45 119.26 121.88 3fxy h ALA 170 Ca 0.34 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 3fxy h ALA 170 Cb -0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3fxy h ALA 170 CO -0.07 0.15 -0.67 0.87 0.00 0.00 0.00 179.25 179.53 3fxy h LYS 171 N 0.78 0.06 -0.50 0.00 1.79 -1.30 -1.59 116.57 115.82 3fxy h LYS 171 Ca 0.25 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.60 3fxy h LYS 171 Cb -0.00 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 3fxy h LYS 171 CO -0.09 0.71 0.03 1.96 -1.08 0.00 0.00 179.45 180.98 3fxy h GLN 172 N 0.04 0.85 -0.02 3.15 4.20 -0.77 -3.30 115.11 119.26 3fxy h GLN 172 Ca -0.01 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3fxy h GLN 172 Cb 1.18 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.88 3fxy h GLN 172 CO 0.09 0.87 -0.04 0.44 -0.67 0.00 0.00 178.83 179.52 3fxy n ILE 173 N -4.36 0.00 -3.42 2.54 -5.35 -0.59 -5.00 119.36 103.17 3fxy n ILE 173 Ca 0.01 -0.48 -0.17 0.00 -0.27 0.00 0.00 62.75 61.84 3fxy n ILE 173 Cb 0.29 1.36 0.09 0.00 -1.74 0.00 0.00 39.64 39.64 3fxy n ILE 173 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3fxy n ASN 174 N 0.89 -2.33 -4.06 7.28 5.15 -0.63 -5.04 115.26 116.52 3fxy n ASN 174 Ca 0.10 -0.63 -0.09 0.00 -0.60 0.00 0.00 54.58 53.36 3fxy n ASN 174 Cb 0.45 -5.12 -0.11 0.00 -0.53 0.00 0.00 39.78 34.48 3fxy n ASN 174 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3fxy s LYS 175 N -5.31 0.54 0.29 1.20 1.02 -1.01 -5.07 119.74 111.40 3fxy s LYS 175 Ca 0.03 -0.97 -0.27 0.00 0.02 0.00 0.00 55.97 54.78 3fxy s LYS 175 Cb -0.00 0.02 -0.14 0.00 -0.52 0.00 0.00 37.83 37.19 3fxy s LYS 175 CO 0.73 -0.05 0.90 -2.30 -0.92 0.00 0.00 175.35 173.72 3fxy n PRO 176 N 0.79 1.09 -2.00 -1.68 -0.02 -1.26 -4.61 135.00 127.31 3fxy n PRO 176 Ca -0.18 0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 3fxy n PRO 176 Cb 0.58 -1.69 0.02 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.49 3.47 0.38 -0.52 3.52 -1.26 -4.89 118.95 118.16 3fxy s ARG 177 Ca 0.60 2.05 -0.26 0.00 -0.13 0.00 0.00 55.73 57.98 3fxy s ARG 177 Cb -0.73 -2.37 -0.09 0.00 -1.56 0.00 0.00 34.95 30.20 3fxy s ARG 177 CO 0.59 -0.86 1.25 -0.51 -0.81 0.00 0.00 175.30 174.96 3fxy s LEU 178 N -3.21 4.27 0.40 -0.88 1.43 -1.26 -4.98 118.68 114.45 3fxy s LEU 178 Ca 0.67 2.54 -0.20 0.00 -1.03 0.00 0.00 54.13 56.11 3fxy s LEU 178 Cb -0.36 -3.87 -0.10 0.00 0.03 0.00 0.00 46.19 41.89 3fxy s LEU 178 CO 0.43 -0.69 0.90 -0.04 0.23 0.00 0.00 176.35 177.18 3fxy s MET 179 N -2.12 4.20 -0.15 1.70 -1.94 -0.14 -4.90 119.30 115.95 3fxy s MET 179 Ca 0.55 1.03 0.00 0.00 -1.71 0.00 0.00 55.69 55.56 3fxy s MET 179 Cb -0.36 -2.28 0.03 0.00 2.01 0.00 0.00 34.83 34.23 3fxy s MET 179 CO 0.46 0.03 -0.12 0.54 -0.01 0.00 0.00 175.02 175.92 3fxy s VAL 180 N -2.10 1.50 0.37 -6.03 0.11 -1.26 -1.20 120.40 111.79 3fxy s VAL 180 Ca 0.59 -0.65 0.04 0.00 -2.93 0.00 0.00 61.98 59.03 3fxy s VAL 180 Cb -0.10 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 3fxy s VAL 180 CO 0.15 0.39 0.08 0.42 -3.33 0.00 0.00 175.10 172.80 3fxy s THR 181 N 1.51 0.99 -0.11 5.04 -4.23 -0.15 -0.47 115.64 118.21 3fxy s THR 181 Ca 0.04 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.48 3fxy s THR 181 Cb -0.13 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.17 3fxy s THR 181 CO -0.10 0.00 0.28 0.00 -0.54 0.00 0.00 174.62 174.26 3fxy s ALA 182 N -3.21 -0.67 -0.05 3.99 0.00 -1.11 -0.62 121.76 120.08 3fxy s ALA 182 Ca 0.29 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 3fxy s ALA 182 Cb 0.06 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3fxy s ALA 182 CO 0.14 -0.19 1.02 0.00 0.00 0.00 0.00 175.76 176.73 3fxy s ALA 183 N 0.96 3.31 0.19 0.00 0.00 0.29 -0.32 121.76 126.19 3fxy s ALA 183 Ca -0.07 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.46 3fxy s ALA 183 Cb -0.08 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3fxy s ALA 183 CO -0.07 -0.45 -0.17 0.14 0.00 0.00 0.00 175.76 175.21 3fxy s VAL 184 N 1.57 1.82 0.55 0.00 -7.23 -0.04 -4.54 120.40 112.53 3fxy s VAL 184 Ca 0.51 -2.08 -0.21 0.00 -1.81 0.00 0.00 61.98 58.39 3fxy s VAL 184 Cb -0.20 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 3fxy s VAL 184 CO 0.23 -0.45 1.33 0.00 -0.31 0.00 0.00 175.10 175.91 3fxy s ALA 185 N -2.49 2.78 -0.04 1.32 0.00 -1.26 -1.57 121.76 120.50 3fxy s ALA 185 Ca 0.20 1.29 0.20 0.00 0.00 0.00 0.00 51.96 53.64 3fxy s ALA 185 Cb -0.03 -3.55 -0.31 0.00 0.00 0.00 0.00 23.12 19.22 3fxy s ALA 185 CO 0.07 -1.34 0.42 0.00 0.00 0.00 0.00 175.76 174.91 3fxy n ALA 186 N -1.08 2.65 -2.42 0.00 0.00 -1.26 -4.65 120.51 113.74 3fxy n ALA 186 Ca 0.11 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 3fxy n ALA 186 Cb 0.46 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 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 -4.45 2.04 0.22 0.00 0.00 -1.26 -4.88 107.32 98.99 3fxy s GLY 187 Ca -0.08 0.65 -0.07 0.00 0.00 0.00 0.00 44.72 45.22 3fxy s GLY 187 CO 0.85 2.27 1.78 -2.22 0.00 0.00 0.00 173.10 175.78 3fxy h ILE 188 N 5.02 0.86 -0.14 0.90 1.08 -1.93 -0.28 117.51 123.02 3fxy h ILE 188 Ca -0.34 -0.21 0.01 0.00 -0.39 0.00 0.00 64.86 63.93 3fxy h ILE 188 Cb 1.16 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 3fxy h ILE 188 CO 0.89 0.11 0.07 -1.28 -0.69 0.00 0.00 178.15 177.25 3fxy h SER 189 N 0.61 0.11 -0.09 1.72 0.87 -2.00 -1.45 113.55 113.32 3fxy h SER 189 Ca 0.34 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 3fxy h SER 189 Cb 0.35 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3fxy h SER 189 CO -0.26 0.09 -0.03 0.78 -0.53 0.00 0.00 176.83 176.88 3fxy h ASN 190 N 0.16 0.29 -0.18 6.23 2.35 -1.71 -1.37 115.58 121.35 3fxy h ASN 190 Ca 0.06 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3fxy h ASN 190 Cb 0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3fxy h ASN 190 CO -0.03 0.37 -0.02 0.40 -1.65 0.00 0.00 177.43 176.50 3fxy h ILE 191 N 0.31 1.27 -0.51 2.81 2.04 -0.82 -1.39 117.51 121.22 3fxy h ILE 191 Ca 0.07 -0.93 -0.07 0.00 1.00 0.00 0.00 64.86 64.93 3fxy h ILE 191 Cb 0.26 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3fxy h ILE 191 CO 0.01 0.28 0.04 1.56 0.00 0.00 0.00 178.15 180.04 3fxy h GLN 192 N 0.06 0.83 0.00 2.37 4.20 -0.84 -2.62 115.11 119.11 3fxy h GLN 192 Ca 0.05 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3fxy h GLN 192 Cb 0.43 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3fxy h GLN 192 CO 0.01 0.80 -0.37 -1.13 -0.67 0.00 0.00 178.83 177.48 3fxy n SER 193 N -4.23 0.38 -0.11 1.46 3.41 -0.56 -4.52 113.62 109.46 3fxy n SER 193 Ca 0.03 -0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.49 3fxy n SER 193 Cb 0.28 0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.14 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 1.49 -0.51 2.92 5.00 0.00 -0.52 -4.20 105.19 109.37 3fxy n GLY 194 Ca 0.06 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.45 0.29 -1.03 1.61 1.51 -1.02 -4.32 117.35 111.94 3fxy s TYR 195 Ca -0.24 -0.05 -0.16 0.00 -1.01 0.00 0.00 57.07 55.61 3fxy s TYR 195 Cb 0.07 -0.19 0.16 0.00 -0.11 0.00 0.00 41.96 41.88 3fxy s TYR 195 CO 0.60 -0.01 1.21 -1.21 -1.11 0.00 0.00 175.55 175.03 3fxy s GLU 196 N -0.03 3.79 0.14 -0.62 2.02 -1.26 -4.84 118.70 117.90 3fxy s GLU 196 Ca 0.01 -2.14 -0.18 0.00 0.02 0.00 0.00 54.97 52.67 3fxy s GLU 196 Cb -0.02 -4.93 0.02 0.00 0.10 0.00 0.00 34.13 29.31 3fxy s GLU 196 CO -0.00 -1.72 1.71 0.82 0.02 0.00 0.00 175.26 176.09 3fxy h ILE 197 N 5.28 0.79 0.23 -1.63 2.04 -1.94 -1.26 117.51 121.03 3fxy h ILE 197 Ca 0.21 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 66.05 3fxy h ILE 197 Cb 0.97 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3fxy h ILE 197 CO 1.13 0.01 -0.29 -0.65 0.00 0.00 0.00 178.15 178.35 3fxy h PRO 198 N 0.07 -0.56 -0.17 2.37 0.11 -1.81 -1.38 132.00 130.63 3fxy h PRO 198 Ca 0.13 0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.12 3fxy h PRO 198 Cb 0.18 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3fxy h PRO 198 CO -0.23 -0.37 -0.51 0.37 -0.21 0.00 0.00 178.00 177.05 3fxy h GLN 199 N -0.58 0.65 -0.60 1.05 5.75 -1.90 -3.15 115.11 116.33 3fxy h GLN 199 Ca 0.00 -0.47 0.03 0.00 -0.15 0.00 0.00 58.65 58.06 3fxy h GLN 199 Cb 0.55 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.14 3fxy h GLN 199 CO -0.10 1.09 0.36 1.25 -2.65 0.00 0.00 178.83 178.78 3fxy h LEU 200 N 0.33 0.58 -1.60 -2.39 5.85 -1.24 -2.79 115.31 114.05 3fxy h LEU 200 Ca -0.01 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3fxy h LEU 200 Cb 1.13 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3fxy h LEU 200 CO 0.11 0.40 -0.21 0.28 -0.34 0.00 0.00 178.44 178.67 3fxy h SER 201 N 0.70 0.00 0.38 1.25 0.02 -1.28 -1.76 113.55 112.87 3fxy h SER 201 Ca 0.25 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.08 3fxy h SER 201 Cb 0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3fxy h SER 201 CO -0.11 0.21 -0.50 1.56 -1.14 0.00 0.00 176.83 176.85 3fxy h GLN 202 N 0.00 0.14 0.00 3.45 1.08 -1.45 -3.32 115.11 115.01 3fxy h GLN 202 Ca -0.00 -0.08 -0.31 0.00 -1.45 0.00 0.00 58.65 56.81 3fxy h GLN 202 Cb 0.40 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.78 3fxy h GLN 202 CO 0.03 0.61 -1.91 0.66 -0.95 0.00 0.00 178.83 177.27 3fxy n TYR 203 N -3.95 0.69 -2.34 2.96 0.53 -0.93 -4.88 117.16 109.24 3fxy n TYR 203 Ca -0.02 0.25 -0.39 0.00 -1.02 0.00 0.00 57.90 56.72 3fxy n TYR 203 Cb 0.53 -1.12 -0.03 0.00 -1.03 0.00 0.00 39.34 37.69 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 -5.88 4.32 0.05 7.72 1.43 -0.71 -4.91 118.68 120.70 3fxy s LEU 204 Ca -0.06 2.34 -0.16 0.00 -1.03 0.00 0.00 54.13 55.22 3fxy s LEU 204 Cb 0.07 -3.88 -0.25 0.00 0.03 0.00 0.00 46.19 42.17 3fxy s LEU 204 CO 0.83 -0.49 1.15 0.44 0.23 0.00 0.00 176.35 178.50 3fxy h ASP 205 N 3.05 0.81 -4.78 2.29 3.32 -1.08 -3.47 116.42 116.57 3fxy h ASP 205 Ca -0.48 -0.76 -0.16 0.00 0.02 0.00 0.00 57.03 55.64 3fxy h ASP 205 Cb 1.22 -0.25 -0.22 0.00 0.22 0.00 0.00 39.33 40.31 3fxy h ASP 205 CO 0.64 1.48 -0.58 -0.31 -1.72 0.00 0.00 179.24 178.75 3fxy s TYR 206 N -3.21 0.09 -0.31 4.55 1.51 -1.26 -4.81 117.35 113.91 3fxy s TYR 206 Ca -0.11 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 55.74 3fxy s TYR 206 Cb 0.06 -0.08 0.06 0.00 -0.11 0.00 0.00 41.96 41.88 3fxy s TYR 206 CO 0.90 -0.21 0.01 0.42 -1.11 0.00 0.00 175.55 175.56 3fxy s ILE 207 N -1.17 2.91 -0.81 2.71 1.01 0.39 -2.76 121.20 123.49 3fxy s ILE 207 Ca -0.13 -1.52 -0.17 0.00 0.00 0.00 0.00 60.65 58.84 3fxy s ILE 207 Cb -0.07 -2.73 0.16 0.00 0.01 0.00 0.00 42.46 39.82 3fxy s ILE 207 CO 0.00 -0.18 0.88 -1.00 0.00 0.00 0.00 174.94 174.65 3fxy s HIS 208 N 1.21 3.33 -0.23 3.97 3.76 0.56 -0.73 115.29 127.16 3fxy s HIS 208 Ca -0.04 -1.51 -0.29 0.00 -0.15 0.00 0.00 55.06 53.08 3fxy s HIS 208 Cb -0.20 -4.04 0.01 0.00 1.11 0.00 0.00 32.58 29.46 3fxy s HIS 208 CO -0.02 -1.25 1.03 0.08 -0.85 0.00 0.00 174.74 173.73 3fxy s VAL 209 N 1.74 4.68 -1.43 -0.90 1.01 -0.85 -0.86 120.40 123.79 3fxy s VAL 209 Ca 0.22 2.01 -0.12 0.00 0.00 0.00 0.00 61.98 64.08 3fxy s VAL 209 Cb -0.12 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 3fxy s VAL 209 CO -0.05 -0.18 2.51 0.23 0.00 0.00 0.00 175.10 177.60 3fxy n MET 210 N 6.33 3.04 -1.27 2.72 2.81 -0.61 -2.30 117.12 127.84 3fxy n MET 210 Ca 0.12 -2.28 -0.37 0.00 -1.81 0.00 0.00 57.70 53.36 3fxy n MET 210 Cb 0.46 -2.99 -0.02 0.00 -0.71 0.00 0.00 33.22 29.96 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 4.46 3.70 -3.95 2.03 -2.24 -1.26 -4.34 114.28 112.68 3fxy n THR 211 Ca 0.62 -2.40 -0.10 0.00 -2.27 0.00 0.00 64.05 59.90 3fxy n THR 211 Cb 0.30 -2.51 -0.02 0.00 -2.10 0.00 0.00 70.33 65.99 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 2.72 0.38 -1.57 4.78 -0.85 -1.26 -4.70 117.35 116.85 3fxy s TYR 212 Ca 0.60 -0.81 -0.02 0.00 -0.52 0.00 0.00 57.07 56.32 3fxy s TYR 212 Cb 0.16 0.38 0.01 0.00 0.38 0.00 0.00 41.96 42.89 3fxy s TYR 212 CO -0.05 -1.22 0.22 -0.25 -1.52 0.00 0.00 175.55 172.72 3fxy n ASP 213 N -0.92 -5.52 0.19 -0.18 8.00 -0.92 -4.89 116.55 112.31 3fxy n ASP 213 Ca -0.03 -0.09 0.07 0.00 0.71 0.00 0.00 54.79 55.45 3fxy n ASP 213 Cb 0.61 -4.56 0.25 0.00 -0.02 0.00 0.00 41.12 37.39 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 -0.48 0.00 -7.93 0.64 3.38 -1.51 -3.44 115.31 105.96 3fxy h LEU 214 Ca -0.47 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.36 3fxy h LEU 214 Cb 1.34 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.90 3fxy h LEU 214 CO 0.54 0.32 -0.58 -1.00 0.09 0.00 0.00 178.44 177.81 3fxy s HIS 215 N -3.32 0.22 -0.02 1.13 3.76 -1.10 -4.96 115.29 111.00 3fxy s HIS 215 Ca 0.03 -0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 54.13 3fxy s HIS 215 Cb 0.09 -0.17 0.11 0.00 1.11 0.00 0.00 32.58 33.72 3fxy s HIS 215 CO 0.69 -0.31 1.30 0.20 -0.85 0.00 0.00 174.74 175.76 3fxy s GLY 216 N -1.94 -0.24 0.58 -2.22 0.00 -1.26 -4.42 107.32 97.81 3fxy s GLY 216 Ca -0.08 0.30 0.39 0.00 0.00 0.00 0.00 44.72 45.33 3fxy s GLY 216 CO -0.03 3.53 2.18 1.48 0.00 0.00 0.00 173.10 180.26 3fxy h SER 217 N 2.00 0.00 -0.18 1.64 4.64 -1.84 -1.15 113.55 118.67 3fxy h SER 217 Ca -0.26 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.12 3fxy h SER 217 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3fxy h SER 217 CO 0.30 0.00 0.16 4.11 -0.87 0.00 0.00 176.83 180.54 3fxy h TRP 218 N 0.00 0.00 0.00 4.77 0.09 -1.94 -2.25 115.95 116.62 3fxy h TRP 218 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.89 58.85 3fxy h TRP 218 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.27 3fxy h TRP 218 CO 0.00 0.00 -0.60 0.93 0.09 0.00 0.00 178.44 178.86 3fxy h GLU 219 N 0.00 0.00 0.00 0.12 5.08 -1.63 -3.47 114.58 114.68 3fxy h GLU 219 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3fxy h GLU 219 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3fxy h GLU 219 CO -0.00 0.60 0.00 0.41 -1.00 0.00 0.00 179.01 179.02 3fxy n GLY 220 N 0.20 0.71 3.12 -3.84 0.00 -0.85 -5.05 105.19 99.49 3fxy n GLY 220 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3fxy n GLY 220 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fxy s TYR 221 N -2.63 0.31 0.59 1.61 1.51 -1.26 -1.17 117.35 116.31 3fxy s TYR 221 Ca 0.00 -0.73 -0.19 0.00 -1.01 0.00 0.00 57.07 55.14 3fxy s TYR 221 Cb 0.00 -0.21 -0.04 0.00 -0.11 0.00 0.00 41.96 41.60 3fxy s TYR 221 CO 0.00 -0.40 1.23 0.95 -1.11 0.00 0.00 175.55 176.22 3fxy s THR 222 N -3.31 2.52 -0.07 -0.71 -4.23 0.43 -4.70 115.64 105.58 3fxy s THR 222 Ca 0.01 0.33 -0.31 0.00 -1.18 0.00 0.00 61.69 60.54 3fxy s THR 222 Cb 0.03 -3.14 0.12 0.00 1.34 0.00 0.00 72.50 70.85 3fxy s THR 222 CO -0.08 -0.06 1.10 -0.83 -0.54 0.00 0.00 174.62 174.21 3fxy s GLY 223 N -1.49 -0.36 0.17 3.99 0.00 -1.26 -2.18 107.32 106.18 3fxy s GLY 223 Ca 0.77 1.10 -0.15 0.00 0.00 0.00 0.00 44.72 46.45 3fxy s GLY 223 CO 0.35 0.34 0.58 -0.54 0.00 0.00 0.00 173.10 173.84 3fxy s GLU 224 N -2.72 4.01 0.09 2.90 0.41 -1.26 -4.57 118.70 117.55 3fxy s GLU 224 Ca 0.09 0.54 -0.21 0.00 -0.41 0.00 0.00 54.97 54.99 3fxy s GLU 224 Cb -0.00 -2.90 -0.10 0.00 -1.78 0.00 0.00 34.13 29.35 3fxy s GLU 224 CO -0.05 0.45 1.63 -0.97 -0.49 0.00 0.00 175.26 175.83 3fxy h ASN 225 N 3.45 0.23 -1.44 -0.19 -1.24 -1.77 -2.91 115.58 111.71 3fxy h ASN 225 Ca -0.48 -0.16 -0.45 0.00 0.71 0.00 0.00 56.30 55.92 3fxy h ASN 225 Cb 1.19 -0.06 -0.32 0.00 0.73 0.00 0.00 38.32 39.86 3fxy h ASN 225 CO 0.66 0.33 -0.96 -0.24 -1.29 0.00 0.00 177.43 175.94 3fxy n SER 226 N -4.86 -0.47 -4.76 1.15 2.88 -1.26 -1.65 113.62 104.66 3fxy n SER 226 Ca -0.04 -2.98 -0.41 0.00 -1.33 0.00 0.00 58.87 54.11 3fxy n SER 226 Cb 0.12 0.06 -0.03 0.00 -0.75 0.00 0.00 64.21 63.61 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 -1.01 4.45 0.11 -1.46 0.04 -1.26 -4.84 135.00 131.03 3fxy s PRO 227 Ca 0.34 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 63.29 3fxy s PRO 227 Cb 0.24 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.58 3fxy s PRO 227 CO -0.12 -0.10 1.47 1.25 0.04 0.00 0.00 177.00 179.54 3fxy h LEU 228 N 4.11 0.79 -9.26 -3.56 5.85 -1.52 -0.24 115.31 111.48 3fxy h LEU 228 Ca -0.47 -0.43 -0.54 0.00 0.84 0.00 0.00 57.88 57.28 3fxy h LEU 228 Cb 1.22 -0.22 -0.14 0.00 0.37 0.00 0.00 40.66 41.89 3fxy h LEU 228 CO 0.69 1.05 -0.67 -0.31 -0.34 0.00 0.00 178.44 178.86 3fxy s TYR 229 N -4.52 2.12 0.79 1.25 2.02 -1.25 -1.00 117.35 116.76 3fxy s TYR 229 Ca -0.12 -0.65 -0.11 0.00 -0.37 0.00 0.00 57.07 55.81 3fxy s TYR 229 Cb 0.09 -1.24 0.07 0.00 -0.40 0.00 0.00 41.96 40.49 3fxy s TYR 229 CO 0.83 0.37 1.12 -1.59 -1.57 0.00 0.00 175.55 174.71 3fxy s LYS 230 N -3.70 2.00 0.41 -0.62 -2.85 -1.26 -4.60 119.74 109.12 3fxy s LYS 230 Ca 0.31 1.35 -0.23 0.00 -1.00 0.00 0.00 55.97 56.41 3fxy s LYS 230 Cb 0.04 -1.85 -0.10 0.00 -2.06 0.00 0.00 37.83 33.86 3fxy s LYS 230 CO 0.14 -1.86 1.00 -0.47 0.10 0.00 0.00 175.35 174.25 3fxy s TYR 231 N -2.67 3.31 0.54 1.78 5.04 -1.26 -4.61 117.35 119.48 3fxy s TYR 231 Ca 0.65 1.65 0.27 0.00 -2.44 0.00 0.00 57.07 57.20 3fxy s TYR 231 Cb -0.20 -3.00 1.44 0.00 0.35 0.00 0.00 41.96 40.54 3fxy s TYR 231 CO 0.53 -0.36 1.97 -1.35 -1.34 0.00 0.00 175.55 175.00 3fxy h PRO 232 N 2.29 0.00 -0.01 4.97 0.11 -1.95 -0.46 132.00 136.95 3fxy h PRO 232 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fxy h PRO 232 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3fxy h PRO 232 CO 0.62 0.00 -0.05 0.25 -0.21 0.00 0.00 178.00 178.60 3fxy n THR 233 N -4.26 0.00 -2.14 -1.15 -2.24 -1.26 -4.93 114.28 98.30 3fxy n THR 233 Ca 0.11 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 3fxy n THR 233 Cb 0.67 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 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 -2.11 6.79 0.06 3.42 -0.00 -0.19 -5.03 116.67 119.62 3fxy s ASP 234 Ca 0.35 2.35 0.00 0.00 -0.00 0.00 0.00 52.55 55.26 3fxy s ASP 234 Cb 0.21 -2.58 -0.04 0.00 -0.00 0.00 0.00 42.92 40.50 3fxy s ASP 234 CO 0.38 -0.69 -0.05 0.28 -0.00 0.00 0.00 175.17 175.09 3fxy s THR 235 N 1.25 0.39 0.00 -1.27 -1.32 -1.26 -4.65 115.64 108.78 3fxy s THR 235 Ca 0.66 -1.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 3fxy s THR 235 Cb -0.37 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.22 3fxy s THR 235 CO 0.30 -0.87 0.00 0.61 -2.21 0.00 0.00 174.62 172.45 3fxy n GLY 236 N 0.29 2.37 0.25 6.08 0.00 -1.26 -2.61 105.19 110.31 3fxy n GLY 236 Ca -0.15 -0.49 0.17 0.00 0.00 0.00 0.00 46.02 45.54 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 9.74 0.00 0.44 1.61 4.64 -2.02 -2.59 113.55 125.37 3fxy h SER 237 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 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 0.00 -0.20 0.78 -0.87 0.00 0.00 176.83 176.54 3fxy h ASN 238 N 0.00 0.00 0.29 4.97 2.35 -1.90 -2.53 115.58 118.76 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 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3fxy h ASN 238 CO 0.00 0.20 0.00 0.00 -1.65 0.00 0.00 177.43 175.98 3fxy n ALA 239 N -2.33 2.27 0.68 -0.83 0.00 -0.97 -3.16 120.51 116.17 3fxy n ALA 239 Ca -0.02 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.41 3fxy n ALA 239 Cb 0.31 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.19 0.20 -1.69 0.00 4.01 -0.95 -4.66 117.16 112.88 3fxy n TYR 240 Ca 0.14 0.06 -0.39 0.00 -0.16 0.00 0.00 57.90 57.55 3fxy n TYR 240 Cb 0.15 -0.37 -0.02 0.00 -0.31 0.00 0.00 39.34 38.79 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 -1.84 8.27 -3.56 7.72 4.77 -1.19 -4.36 117.00 126.81 3fxy n LEU 241 Ca 0.03 -4.64 -0.13 0.00 -0.03 0.00 0.00 56.01 51.25 3fxy n LEU 241 Cb 0.41 -1.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.02 3fxy n LEU 241 CO 0.39 2.06 0.27 0.54 -1.33 0.00 0.00 177.39 179.33 3fxy s ASN 242 N 1.12 -0.41 0.16 -1.43 2.20 -1.26 -4.74 114.94 110.57 3fxy s ASN 242 Ca 0.61 0.00 -0.15 0.00 -0.94 0.00 0.00 52.86 52.38 3fxy s ASN 242 Cb 0.19 0.51 0.08 0.00 -2.00 0.00 0.00 41.25 40.03 3fxy s ASN 242 CO -0.08 -0.81 1.75 0.58 -2.94 0.00 0.00 177.10 175.60 3fxy h VAL 243 N 2.50 0.90 -0.06 3.54 2.07 -1.03 -2.40 116.25 121.77 3fxy h VAL 243 Ca -0.32 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.13 3fxy h VAL 243 Cb 1.25 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 3fxy h VAL 243 CO 0.42 0.06 -0.38 -0.78 0.02 0.00 0.00 177.57 176.91 3fxy h ASP 244 N 0.31 -1.15 -0.30 0.57 3.58 -1.31 -1.26 116.42 116.85 3fxy h ASP 244 Ca 0.18 0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.78 3fxy h ASP 244 Cb 0.15 0.47 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 3fxy h ASP 244 CO -0.17 -0.41 0.18 0.22 -2.88 0.00 0.00 179.24 176.18 3fxy h TYR 245 N -0.49 0.39 0.07 0.28 3.20 -1.78 -2.68 116.97 115.96 3fxy h TYR 245 Ca 0.07 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 3fxy h TYR 245 Cb 0.60 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3fxy h TYR 245 CO -0.42 0.29 -0.03 0.28 -1.64 0.00 0.00 178.16 176.63 3fxy h VAL 246 N 0.39 1.01 -0.76 1.81 2.07 -1.15 0.12 116.25 119.75 3fxy h VAL 246 Ca 0.11 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3fxy h VAL 246 Cb 0.00 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3fxy h VAL 246 CO -0.02 0.07 0.31 0.24 0.02 0.00 0.00 177.57 178.19 3fxy h MET 247 N -0.21 1.13 -0.18 1.57 2.86 -1.28 -2.22 114.93 116.60 3fxy h MET 247 Ca -0.01 -0.19 -0.14 0.00 -2.06 0.00 0.00 59.70 57.30 3fxy h MET 247 Cb 0.18 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3fxy h MET 247 CO 0.02 0.91 -0.48 -0.91 1.06 0.00 0.00 176.91 177.50 3fxy h ASN 248 N 1.10 0.51 -0.09 1.22 2.35 -1.35 -2.27 115.58 117.06 3fxy h ASN 248 Ca 0.26 -0.25 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3fxy h ASN 248 Cb 0.20 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3fxy h ASN 248 CO -0.02 0.91 0.03 0.22 -1.65 0.00 0.00 177.43 176.92 3fxy h TYR 249 N 0.37 0.06 -0.45 1.19 3.20 -0.37 0.20 116.97 121.16 3fxy h TYR 249 Ca 0.02 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.96 3fxy h TYR 249 Cb 0.99 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.19 3fxy h TYR 249 CO 0.03 0.03 0.14 -1.49 -1.64 0.00 0.00 178.16 175.23 3fxy h TRP 250 N 0.08 0.23 -0.18 -3.82 4.06 -1.36 -1.67 115.95 113.28 3fxy h TRP 250 Ca 0.04 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 3fxy h TRP 250 Cb 0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 3fxy h TRP 250 CO -0.09 0.06 0.06 -0.22 -3.56 0.00 0.00 178.44 174.69 3fxy h LYS 251 N 0.29 0.28 0.00 0.49 3.64 -1.22 -1.77 116.57 118.28 3fxy h LYS 251 Ca 0.22 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3fxy h LYS 251 Cb 0.24 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3fxy h LYS 251 CO -0.25 0.39 0.00 -0.25 -2.27 0.00 0.00 179.45 177.08 3fxy n ASP 252 N -4.81 0.66 -0.81 4.20 8.00 0.67 -2.51 116.55 121.95 3fxy n ASP 252 Ca -0.04 0.67 0.08 0.00 0.71 0.00 0.00 54.79 56.21 3fxy n ASP 252 Cb 0.15 -0.80 0.24 0.00 -0.02 0.00 0.00 41.12 40.68 3fxy n ASP 252 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3fxy n ASN 253 N -2.23 3.66 0.00 -2.24 3.02 -0.65 -4.98 115.26 111.84 3fxy n ASN 253 Ca 0.02 -2.87 0.00 0.00 -0.03 0.00 0.00 54.58 51.70 3fxy n ASN 253 Cb 0.22 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 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 -0.42 1.38 3.68 7.41 0.00 -1.05 -3.75 105.19 112.45 3fxy n GLY 254 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.17 3.45 0.28 4.61 0.00 -0.68 -4.59 121.76 123.66 3fxy s ALA 255 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 3fxy s ALA 255 Cb 0.00 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 3fxy s ALA 255 CO 0.00 -0.65 1.47 -2.14 0.00 0.00 0.00 175.76 174.45 3fxy s PRO 256 N 2.13 4.22 0.20 0.00 0.02 -1.26 -4.22 135.00 136.08 3fxy s PRO 256 Ca 0.46 2.40 -0.11 0.00 0.02 0.00 0.00 61.00 63.78 3fxy s PRO 256 Cb -0.18 -3.06 0.24 0.00 0.02 0.00 0.00 34.50 31.52 3fxy s PRO 256 CO 0.16 -0.47 1.75 0.00 -0.33 0.00 0.00 177.00 178.11 3fxy h ALA 257 N 4.57 0.73 -0.33 -1.55 0.00 -1.94 -1.78 119.26 118.97 3fxy h ALA 257 Ca -0.47 0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.60 3fxy h ALA 257 Cb 1.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3fxy h ALA 257 CO 0.75 -0.18 0.32 1.05 0.00 0.00 0.00 179.25 181.19 3fxy h GLU 258 N 0.42 0.00 0.00 0.00 4.11 -1.87 -1.05 114.58 116.19 3fxy h GLU 258 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 3fxy h GLU 258 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3fxy h GLU 258 CO -0.27 0.00 -0.96 1.63 0.07 0.00 0.00 179.01 179.47 3fxy n LYS 259 N -3.92 0.32 -2.76 1.06 5.02 -0.69 -3.53 118.16 113.65 3fxy n LYS 259 Ca 0.05 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 3fxy n LYS 259 Cb 0.48 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 3fxy n LYS 259 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fxy s LEU 260 N -4.10 4.30 -0.17 -0.35 1.43 -0.43 -0.46 118.68 118.90 3fxy s LEU 260 Ca 0.04 1.51 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 3fxy s LEU 260 Cb 0.14 -3.47 0.01 0.00 0.03 0.00 0.00 46.19 42.90 3fxy s LEU 260 CO 0.79 -0.32 -0.17 -0.63 0.23 0.00 0.00 176.35 176.25 3fxy s ILE 261 N 1.43 2.38 0.07 -0.59 -1.09 0.09 -0.74 121.20 122.75 3fxy s ILE 261 Ca 0.47 -0.85 -0.29 0.00 -2.23 0.00 0.00 60.65 57.76 3fxy s ILE 261 Cb -0.19 -2.01 -0.05 0.00 -1.58 0.00 0.00 42.46 38.63 3fxy s ILE 261 CO 0.22 0.52 0.93 -0.69 -1.23 0.00 0.00 174.94 174.69 3fxy s VAL 262 N 1.09 4.64 -0.11 2.92 1.01 -0.60 -2.00 120.40 127.36 3fxy s VAL 262 Ca -0.00 1.98 -0.25 0.00 0.00 0.00 0.00 61.98 63.71 3fxy s VAL 262 Cb -0.14 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 3fxy s VAL 262 CO -0.06 0.28 0.80 -0.83 0.00 0.00 0.00 175.10 175.29 3fxy s GLY 263 N 0.26 2.41 -0.17 4.51 0.00 -0.97 -0.34 107.32 113.02 3fxy s GLY 263 Ca 0.47 0.14 0.01 0.00 0.00 0.00 0.00 44.72 45.33 3fxy s GLY 263 CO 0.28 1.48 -0.18 -1.36 0.00 0.00 0.00 173.10 173.33 3fxy s PHE 264 N 1.48 2.77 -0.17 1.90 0.40 0.11 -4.44 117.98 120.02 3fxy s PHE 264 Ca 0.40 -1.32 -0.14 0.00 -0.60 0.00 0.00 56.93 55.27 3fxy s PHE 264 Cb -0.18 -1.90 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 3fxy s PHE 264 CO 0.17 -0.63 0.30 -1.25 0.70 0.00 0.00 175.22 174.51 3fxy s PRO 265 N 1.04 4.24 -0.49 0.24 0.04 -1.26 -1.41 135.00 137.40 3fxy s PRO 265 Ca -0.01 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.12 3fxy s PRO 265 Cb -0.14 -3.45 0.44 0.00 0.04 0.00 0.00 34.50 31.38 3fxy s PRO 265 CO -0.05 0.18 1.93 0.25 0.04 0.00 0.00 177.00 179.35 3fxy n THR 266 N 3.75 3.16 -3.90 1.26 -2.24 -0.55 -4.62 114.28 111.13 3fxy n THR 266 Ca -0.11 -2.16 -0.09 0.00 -2.27 0.00 0.00 64.05 59.42 3fxy n THR 266 Cb 0.52 -0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.99 0.11 0.26 4.78 -0.85 -1.26 -1.35 117.35 116.04 3fxy s TYR 267 Ca 0.51 -0.49 0.03 0.00 -0.52 0.00 0.00 57.07 56.60 3fxy s TYR 267 Cb 0.41 0.37 -0.05 0.00 0.38 0.00 0.00 41.96 43.07 3fxy s TYR 267 CO 0.03 -1.04 0.04 0.20 -1.52 0.00 0.00 175.55 173.26 3fxy s GLY 268 N -2.96 1.71 -0.15 5.49 0.00 -0.25 -4.44 107.32 106.71 3fxy s GLY 268 Ca 0.16 -1.85 -0.09 0.00 0.00 0.00 0.00 44.72 42.94 3fxy s GLY 268 CO 0.06 -1.67 0.15 0.30 0.00 0.00 0.00 173.10 171.93 3fxy s HIS 269 N -3.50 3.51 0.34 1.90 3.76 -0.84 -2.21 115.29 118.25 3fxy s HIS 269 Ca 0.33 0.46 0.08 0.00 -0.15 0.00 0.00 55.06 55.78 3fxy s HIS 269 Cb 0.07 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 3fxy s HIS 269 CO 0.11 0.52 0.13 0.54 -0.85 0.00 0.00 174.74 175.19 3fxy s ASN 270 N -0.36 4.61 0.03 1.40 2.20 -0.64 -1.12 114.94 121.06 3fxy s ASN 270 Ca 0.12 -0.81 -0.05 0.00 -0.94 0.00 0.00 52.86 51.19 3fxy s ASN 270 Cb -0.12 -0.70 -0.01 0.00 -2.00 0.00 0.00 41.25 38.43 3fxy s ASN 270 CO 0.02 -0.30 0.08 -0.36 -2.94 0.00 0.00 177.10 173.59 3fxy s PHE 271 N -2.44 0.19 -0.33 1.54 0.40 0.12 -2.28 117.98 115.18 3fxy s PHE 271 Ca 0.37 -0.45 -0.13 0.00 -0.60 0.00 0.00 56.93 56.12 3fxy s PHE 271 Cb -0.02 -0.14 -0.02 0.00 0.51 0.00 0.00 43.02 43.35 3fxy s PHE 271 CO 0.22 -0.32 0.28 0.42 0.70 0.00 0.00 175.22 176.52 3fxy s ILE 272 N -2.21 5.24 0.12 0.64 -1.09 -0.39 -2.06 121.20 121.45 3fxy s ILE 272 Ca -0.08 -0.02 -0.31 0.00 -2.23 0.00 0.00 60.65 58.01 3fxy s ILE 272 Cb -0.04 -3.72 -0.07 0.00 -1.58 0.00 0.00 42.46 37.05 3fxy s ILE 272 CO -0.03 0.01 1.28 -0.76 -1.23 0.00 0.00 174.94 174.21 3fxy s LEU 273 N 1.85 4.39 0.40 2.97 1.43 0.75 -0.83 118.68 129.64 3fxy s LEU 273 Ca 0.09 2.22 0.13 0.00 -1.03 0.00 0.00 54.13 55.54 3fxy s LEU 273 Cb -0.17 -3.59 0.84 0.00 0.03 0.00 0.00 46.19 43.30 3fxy s LEU 273 CO 0.11 -0.53 1.90 0.28 0.23 0.00 0.00 176.35 178.35 3fxy h SER 274 N 6.29 0.02 -2.92 2.29 0.02 -1.52 -3.41 113.55 114.33 3fxy h SER 274 Ca -0.43 -0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.12 3fxy h SER 274 Cb 1.21 -0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.36 3fxy h SER 274 CO 0.81 0.29 -0.70 0.21 -1.14 0.00 0.00 176.83 176.30 3fxy s ASN 275 N -6.96 1.86 0.45 3.07 3.84 -1.26 -5.02 114.94 110.91 3fxy s ASN 275 Ca -0.03 -0.38 0.20 0.00 0.21 0.00 0.00 52.86 52.85 3fxy s ASN 275 Cb 0.15 -0.01 1.07 0.00 -0.55 0.00 0.00 41.25 41.91 3fxy s ASN 275 CO 0.71 -0.33 1.55 1.55 -2.79 0.00 0.00 177.10 177.79 3fxy h PRO 276 N 8.39 0.00 0.00 0.43 0.13 -1.80 -0.48 132.00 138.67 3fxy h PRO 276 Ca -0.15 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.80 3fxy h PRO 276 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 3fxy h PRO 276 CO 0.27 0.00 -0.85 0.66 -0.23 0.00 0.00 178.00 177.85 3fxy h SER 277 N 0.00 0.00 -3.55 1.44 4.64 -1.96 -3.42 113.55 110.70 3fxy h SER 277 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 3fxy h SER 277 Cb 0.59 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.50 3fxy h SER 277 CO 0.00 0.85 -0.13 0.21 -0.87 0.00 0.00 176.83 176.89 3fxy s ASN 278 N -6.69 6.23 0.00 4.97 3.84 -0.19 -4.91 114.94 118.19 3fxy s ASN 278 Ca 0.01 -0.57 0.00 0.00 0.21 0.00 0.00 52.86 52.51 3fxy s ASN 278 Cb 0.10 -2.25 0.00 0.00 -0.55 0.00 0.00 41.25 38.55 3fxy s ASN 278 CO 0.80 -0.62 0.45 0.35 -2.79 0.00 0.00 177.10 175.28 3fxy n THR 279 N 5.53 0.18 -1.18 -5.21 -2.24 -1.26 -4.76 114.28 105.34 3fxy n THR 279 Ca -0.06 -0.38 -0.04 0.00 -2.27 0.00 0.00 64.05 61.30 3fxy n THR 279 Cb 0.48 1.20 0.03 0.00 -2.10 0.00 0.00 70.33 69.93 3fxy n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fxy n GLY 280 N -0.09 -1.10 3.72 3.38 0.00 -1.26 -4.96 105.19 104.88 3fxy n GLY 280 Ca 0.00 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 3fxy n GLY 280 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fxy s ILE 281 N -1.36 3.78 0.00 -0.61 -1.09 -1.26 -3.17 121.20 117.49 3fxy s ILE 281 Ca 0.11 1.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.88 3fxy s ILE 281 Cb -0.00 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 3fxy s ILE 281 CO 0.07 0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.54 3fxy n GLY 282 N 2.84 0.67 3.76 6.18 0.00 -0.93 -4.98 105.19 112.74 3fxy n GLY 282 Ca 0.07 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 3.43 0.33 4.61 0.00 -1.19 -4.64 121.76 122.30 3fxy s ALA 283 Ca 0.00 0.99 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 3fxy s ALA 283 Cb 0.00 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 3fxy s ALA 283 CO 0.00 -0.28 1.50 -2.14 0.00 0.00 0.00 175.76 174.84 3fxy s PRO 284 N -1.53 4.15 0.19 0.00 0.02 -1.26 -0.42 135.00 136.15 3fxy s PRO 284 Ca 0.46 2.51 0.07 0.00 0.02 0.00 0.00 61.00 64.06 3fxy s PRO 284 Cb -0.34 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.13 3fxy s PRO 284 CO 0.44 -0.52 -0.14 0.95 -0.33 0.00 0.00 177.00 177.40 3fxy s THR 285 N -0.64 1.64 -0.51 0.99 -4.23 -0.31 -1.39 115.64 111.19 3fxy s THR 285 Ca 0.56 -2.13 0.04 0.00 -1.18 0.00 0.00 61.69 58.99 3fxy s THR 285 Cb -0.46 -1.96 0.04 0.00 1.34 0.00 0.00 72.50 71.46 3fxy s THR 285 CO 0.55 -0.58 0.66 -1.54 -0.54 0.00 0.00 174.62 173.17 3fxy n SER 286 N -0.23 1.40 0.00 3.99 3.41 -0.01 -4.65 113.62 117.53 3fxy n SER 286 Ca -0.09 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 3fxy n SER 286 Cb 0.60 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 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 0.21 -2.60 3.77 5.00 0.00 -1.26 -5.00 105.19 105.32 3fxy n GLY 287 Ca 0.03 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 3fxy n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxy s ALA 288 N -1.80 3.02 1.04 4.61 0.00 -1.26 -1.27 121.76 126.10 3fxy s ALA 288 Ca 0.00 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 3fxy s ALA 288 Cb 0.00 -3.37 0.22 0.00 0.00 0.00 0.00 23.12 19.97 3fxy s ALA 288 CO 0.00 -0.59 1.19 0.20 0.00 0.00 0.00 175.76 176.56 3fxy s GLY 289 N -1.34 1.65 0.45 0.00 0.00 -0.97 -4.31 107.32 102.79 3fxy s GLY 289 Ca 0.62 -0.91 -0.23 0.00 0.00 0.00 0.00 44.72 44.20 3fxy s GLY 289 CO 0.35 -0.15 1.09 2.56 0.00 0.00 0.00 173.10 176.94 3fxy s PRO 290 N -5.52 3.90 0.43 2.90 0.04 -1.26 -2.05 135.00 133.44 3fxy s PRO 290 Ca 0.70 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 63.06 3fxy s PRO 290 Cb -0.09 -2.36 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 3fxy s PRO 290 CO 0.54 -0.38 1.20 0.00 0.04 0.00 0.00 177.00 178.41 3fxy s ALA 291 N -1.70 3.08 0.75 8.56 0.00 -1.26 -4.35 121.76 126.84 3fxy s ALA 291 Ca 0.63 1.02 -0.11 0.00 0.00 0.00 0.00 51.96 53.49 3fxy s ALA 291 Cb -0.23 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.52 3fxy s ALA 291 CO 0.28 -0.68 1.09 0.20 0.00 0.00 0.00 175.76 176.65 3fxy s GLY 292 N -1.15 1.63 0.27 0.00 0.00 -1.26 -4.91 107.32 101.91 3fxy s GLY 292 Ca 0.61 -0.21 0.25 0.00 0.00 0.00 0.00 44.72 45.37 3fxy s GLY 292 CO 0.39 0.18 1.75 -0.56 0.00 0.00 0.00 173.10 174.87 3fxy h PRO 293 N -0.90 0.00 0.00 2.90 0.13 -1.97 -3.05 132.00 129.11 3fxy h PRO 293 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.40 3fxy h PRO 293 Cb 1.26 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 3fxy h PRO 293 CO 0.60 0.00 -1.89 0.66 -0.23 0.00 0.00 178.00 177.15 3fxy n TYR 294 N -2.37 0.00 0.20 1.56 4.02 -1.26 -4.59 117.16 114.71 3fxy n TYR 294 Ca 0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.03 3fxy n TYR 294 Cb 0.34 -0.75 0.13 0.00 -0.02 0.00 0.00 39.34 39.04 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 -0.92 0.91 -5.21 -0.72 0.00 -1.95 -3.39 119.26 107.99 3fxy h ALA 295 Ca -0.42 -0.07 -0.41 0.00 0.00 0.00 0.00 54.91 54.01 3fxy h ALA 295 Cb 1.33 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 19.17 3fxy h ALA 295 CO -0.25 0.09 -0.64 1.63 0.00 0.00 0.00 179.25 180.08 3fxy n LYS 296 N -3.08 -5.57 -3.92 0.00 5.02 -1.15 -4.98 118.16 104.49 3fxy n LYS 296 Ca 0.03 0.79 -0.35 0.00 -2.02 0.00 0.00 58.31 56.76 3fxy n LYS 296 Cb 0.56 -5.69 -0.14 0.00 -0.02 0.00 0.00 35.03 29.75 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 -6.03 3.04 0.15 1.97 2.02 -1.26 -4.92 118.70 113.66 3fxy s GLU 297 Ca 0.44 -0.85 -0.34 0.00 0.02 0.00 0.00 54.97 54.24 3fxy s GLU 297 Cb -0.20 -3.04 -0.13 0.00 0.10 0.00 0.00 34.13 30.85 3fxy s GLU 297 CO 0.54 -0.34 1.63 0.45 0.02 0.00 0.00 175.26 177.56 3fxy n SER 298 N 4.74 3.28 -0.11 -0.19 2.88 -1.26 -1.87 113.62 121.09 3fxy n SER 298 Ca -0.17 1.07 -0.01 0.00 -1.33 0.00 0.00 58.87 58.43 3fxy n SER 298 Cb 0.48 -1.45 -0.01 0.00 -0.75 0.00 0.00 64.21 62.49 3fxy n SER 298 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fxy n GLY 299 N 3.59 0.45 2.85 0.46 0.00 -0.87 -4.92 105.19 106.74 3fxy n GLY 299 Ca 0.17 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.77 0.20 -0.10 -0.61 -1.09 -0.78 -1.62 121.20 115.44 3fxy s ILE 300 Ca 0.00 0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.48 3fxy s ILE 300 Cb 0.00 -0.26 -0.01 0.00 -1.58 0.00 0.00 42.46 40.61 3fxy s ILE 300 CO 0.00 0.13 -0.21 0.26 -1.23 0.00 0.00 174.94 173.89 3fxy s TRP 301 N 0.74 2.60 0.79 3.97 0.51 -0.94 -4.07 118.94 122.54 3fxy s TRP 301 Ca -0.07 -0.84 -0.14 0.00 -2.12 0.00 0.00 56.10 52.93 3fxy s TRP 301 Cb -0.11 -1.72 0.07 0.00 -0.81 0.00 0.00 33.47 30.91 3fxy s TRP 301 CO -0.01 -0.29 1.20 0.00 -0.51 0.00 0.00 176.95 177.33 3fxy n ALA 302 N 3.34 0.08 -0.30 0.98 0.00 -1.26 -1.10 120.51 122.26 3fxy n ALA 302 Ca -0.18 -0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.04 3fxy n ALA 302 Cb 0.53 -2.25 0.23 0.00 0.00 0.00 0.00 19.45 17.95 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 -0.73 0.76 -0.01 0.00 3.20 -0.60 -0.59 116.97 118.99 3fxy h TYR 303 Ca -0.47 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.36 3fxy h TYR 303 Cb 1.30 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 3fxy h TYR 303 CO 0.45 0.17 -0.36 0.10 -1.64 0.00 0.00 178.16 176.89 3fxy h TYR 304 N 0.61 0.02 -0.13 -3.82 -0.00 -1.85 -1.82 116.97 109.99 3fxy h TYR 304 Ca 0.47 -0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 59.08 3fxy h TYR 304 Cb 0.67 -0.01 -0.01 0.00 -0.00 0.00 0.00 36.73 37.38 3fxy h TYR 304 CO -0.09 0.37 -0.40 0.93 -0.00 0.00 0.00 178.16 178.97 3fxy h GLU 305 N 0.02 0.28 -0.33 0.10 5.08 -1.48 -2.95 114.58 115.29 3fxy h GLU 305 Ca -0.00 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 3fxy h GLU 305 Cb 0.64 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3fxy h GLU 305 CO 0.05 0.64 -0.26 0.82 -1.00 0.00 0.00 179.01 179.26 3fxy h ILE 306 N 0.24 1.27 -0.90 3.13 2.04 -0.56 -2.42 117.51 120.31 3fxy h ILE 306 Ca 0.02 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.53 3fxy h ILE 306 Cb 0.82 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3fxy h ILE 306 CO 0.06 0.44 0.58 0.00 0.00 0.00 0.00 178.15 179.24 3fxy h THR 308 N 1.23 1.19 -0.68 0.00 2.02 -1.42 0.14 112.91 115.39 3fxy h THR 308 Ca 0.33 -0.42 0.09 0.00 0.77 0.00 0.00 66.41 67.18 3fxy h THR 308 Cb -0.11 0.30 -0.07 0.00 -1.74 0.00 0.00 68.15 66.53 3fxy h THR 308 CO -0.07 0.20 0.33 0.15 0.37 0.00 0.00 175.52 176.50 3fxy h PHE 309 N 0.88 0.59 -0.34 3.16 3.57 -0.84 -0.58 116.94 123.37 3fxy h PHE 309 Ca 0.23 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.59 3fxy h PHE 309 Cb -0.02 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 3fxy h PHE 309 CO -0.02 0.21 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.75 3fxy h LEU 310 N 0.56 0.97 -1.12 0.59 3.38 -0.74 -2.79 115.31 116.16 3fxy h LEU 310 Ca 0.34 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.91 3fxy h LEU 310 Cb 0.36 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3fxy h LEU 310 CO -0.27 1.27 0.60 0.11 0.09 0.00 0.00 178.44 180.24 3fxy h LYS 311 N 0.72 1.00 -0.68 1.13 1.57 -0.01 -2.77 116.57 117.52 3fxy h LYS 311 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fxy h LYS 311 Cb 1.04 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3fxy h LYS 311 CO 0.10 0.66 0.00 0.09 -0.57 0.00 0.00 179.45 179.73 3fxy n ASN 312 N -4.51 3.73 0.00 0.86 3.02 -0.29 -4.88 115.26 113.19 3fxy n ASN 312 Ca 0.15 -2.47 0.00 0.00 -0.03 0.00 0.00 54.58 52.23 3fxy n ASN 312 Cb 0.23 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 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 0.59 0.91 3.73 7.41 0.00 -1.05 -5.06 105.19 111.72 3fxy n GLY 313 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 2.33 -0.02 4.61 0.00 -1.06 -4.97 121.76 120.65 3fxy s ALA 314 Ca 0.00 1.14 -0.25 0.00 0.00 0.00 0.00 51.96 52.85 3fxy s ALA 314 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 3fxy s ALA 314 CO 0.00 -1.63 0.77 0.99 0.00 0.00 0.00 175.76 175.89 3fxy s THR 315 N -1.52 4.93 -0.16 0.00 2.01 0.63 -4.84 115.64 116.68 3fxy s THR 315 Ca 0.81 1.61 -0.25 0.00 0.31 0.00 0.00 61.69 64.16 3fxy s THR 315 Cb -0.35 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.03 3fxy s THR 315 CO 0.40 0.27 0.82 -1.10 -0.69 0.00 0.00 174.62 174.32 3fxy s GLN 316 N 0.59 4.30 0.23 4.92 -0.21 -1.26 -1.94 119.66 126.29 3fxy s GLN 316 Ca 0.40 1.00 0.10 0.00 0.02 0.00 0.00 55.36 56.88 3fxy s GLN 316 Cb -0.19 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.21 3fxy s GLN 316 CO 0.21 -0.30 -0.08 0.20 -2.12 0.00 0.00 175.29 173.20 3fxy s GLY 317 N 1.14 1.72 -0.09 3.09 0.00 0.20 -5.00 107.32 108.39 3fxy s GLY 317 Ca 0.38 -1.60 -0.01 0.00 0.00 0.00 0.00 44.72 43.49 3fxy s GLY 317 CO 0.13 -1.65 -0.05 0.86 0.00 0.00 0.00 173.10 172.39 3fxy s TRP 318 N -2.05 1.10 -0.97 1.90 -0.11 -1.26 -1.69 118.94 115.87 3fxy s TRP 318 Ca 0.28 -0.46 -0.18 0.00 1.22 0.00 0.00 56.10 56.96 3fxy s TRP 318 Cb -0.07 -1.01 0.14 0.00 -1.50 0.00 0.00 33.47 31.03 3fxy s TRP 318 CO 0.17 -0.40 1.16 0.34 -4.62 0.00 0.00 176.95 173.59 3fxy s ASP 319 N 1.70 6.71 0.13 5.86 3.68 -0.36 -4.92 116.67 129.47 3fxy s ASP 319 Ca 0.03 -2.24 -0.15 0.00 2.13 0.00 0.00 52.55 52.32 3fxy s ASP 319 Cb -0.13 -2.39 -0.02 0.00 -1.45 0.00 0.00 42.92 38.94 3fxy s ASP 319 CO -0.06 -0.98 1.62 0.00 0.13 0.00 0.00 175.17 175.88 3fxy h ALA 320 N 8.50 0.52 0.00 3.66 0.00 -1.97 0.16 119.26 130.14 3fxy h ALA 320 Ca 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3fxy h ALA 320 Cb 1.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3fxy h ALA 320 CO 1.11 0.21 -0.07 -1.00 0.00 0.00 0.00 179.25 179.50 3fxy h PRO 321 N 0.50 0.00 -0.01 0.00 0.13 -1.92 -2.92 132.00 127.77 3fxy h PRO 321 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3fxy h PRO 321 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 3fxy h PRO 321 CO 0.00 0.07 -0.57 1.04 -0.23 0.00 0.00 178.00 178.32 3fxy n GLN 322 N -3.48 1.37 -3.03 0.86 6.02 -1.00 -4.49 117.38 113.63 3fxy n GLN 322 Ca -0.02 -0.53 -0.20 0.00 -0.01 0.00 0.00 57.00 56.24 3fxy n GLN 322 Cb 0.21 -1.35 0.04 0.00 1.02 0.00 0.00 30.24 30.16 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 -0.61 -4.81 -4.02 -1.09 -0.58 0.01 -1.30 120.64 108.24 3fxy n GLU 323 Ca 0.06 0.77 -0.11 0.00 -0.42 0.00 0.00 57.16 57.45 3fxy n GLU 323 Cb 0.34 -5.38 -0.12 0.00 -0.57 0.00 0.00 31.44 25.72 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 -3.13 0.31 0.66 2.62 -7.23 -1.12 -4.45 120.40 108.06 3fxy s VAL 324 Ca 0.31 -0.87 -0.09 0.00 -1.81 0.00 0.00 61.98 59.53 3fxy s VAL 324 Cb -0.14 -0.40 0.02 0.00 0.56 0.00 0.00 36.38 36.42 3fxy s VAL 324 CO 0.39 -0.37 1.01 -2.16 -0.31 0.00 0.00 175.10 173.67 3fxy s PRO 325 N -1.30 2.80 0.14 4.82 0.04 -1.24 -1.22 135.00 139.04 3fxy s PRO 325 Ca -0.11 0.20 -0.11 0.00 0.04 0.00 0.00 61.00 61.02 3fxy s PRO 325 Cb -0.09 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.32 3fxy s PRO 325 CO -0.00 -0.93 0.31 1.52 0.04 0.00 0.00 177.00 177.93 3fxy s TYR 326 N -3.20 0.16 0.03 0.56 -0.85 -0.68 -2.83 117.35 110.55 3fxy s TYR 326 Ca 0.57 -0.54 -0.06 0.00 -0.52 0.00 0.00 57.07 56.52 3fxy s TYR 326 Cb -0.11 0.05 -0.01 0.00 0.38 0.00 0.00 41.96 42.27 3fxy s TYR 326 CO 0.48 -0.69 0.11 0.00 -1.52 0.00 0.00 175.55 173.93 3fxy s ALA 327 N -3.90 -0.12 0.02 9.51 0.00 -0.40 0.61 121.76 127.49 3fxy s ALA 327 Ca 0.10 -0.48 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 3fxy s ALA 327 Cb 0.03 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.42 3fxy s ALA 327 CO -0.06 -0.30 0.40 1.52 0.00 0.00 0.00 175.76 177.32 3fxy s TYR 328 N -2.42 -0.27 -0.26 0.00 1.13 -0.82 -0.37 117.35 114.35 3fxy s TYR 328 Ca -0.07 0.29 -0.11 0.00 -1.41 0.00 0.00 57.07 55.78 3fxy s TYR 328 Cb -0.02 0.20 0.10 0.00 -1.10 0.00 0.00 41.96 41.14 3fxy s TYR 328 CO -0.04 -0.53 0.59 -1.14 -2.51 0.00 0.00 175.55 171.92 3fxy s GLN 329 N -2.11 0.54 6.83 -3.49 0.74 0.20 -0.27 119.66 122.09 3fxy s GLN 329 Ca -0.08 1.25 0.00 0.00 0.05 0.00 0.00 55.36 56.58 3fxy s GLN 329 Cb -0.02 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.60 3fxy s GLN 329 CO 0.00 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 3fxy n GLY 330 N 5.06 3.82 1.70 2.59 0.00 -1.26 -1.04 105.19 116.07 3fxy n GLY 330 Ca -0.14 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 6.49 4.58 -4.31 1.61 6.94 -1.26 -4.54 115.26 124.76 3fxy n ASN 331 Ca 0.00 -2.86 -0.32 0.00 -0.02 0.00 0.00 54.58 51.37 3fxy n ASN 331 Cb 0.00 -0.68 -0.16 0.00 -2.36 0.00 0.00 39.78 36.59 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 -2.47 2.47 -0.01 3.53 1.01 -0.20 -0.18 120.40 124.55 3fxy s VAL 332 Ca 0.44 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3fxy s VAL 332 Cb 0.35 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.77 3fxy s VAL 332 CO 0.12 0.56 -0.01 0.86 0.00 0.00 0.00 175.10 176.62 3fxy s TRP 333 N 0.05 0.21 -0.02 5.22 -0.00 -0.88 -0.63 118.94 122.90 3fxy s TRP 333 Ca -0.08 -0.02 0.02 0.00 -0.00 0.00 0.00 56.10 56.02 3fxy s TRP 333 Cb -0.15 -0.20 0.01 0.00 -0.00 0.00 0.00 33.47 33.13 3fxy s TRP 333 CO 0.05 -0.04 -0.06 0.54 -0.00 0.00 0.00 176.95 177.45 3fxy s VAL 334 N 0.25 0.53 -0.17 5.86 0.11 0.50 0.15 120.40 127.63 3fxy s VAL 334 Ca -0.02 -0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 58.80 3fxy s VAL 334 Cb -0.04 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 3fxy s VAL 334 CO -0.01 0.19 -0.08 -0.83 -3.33 0.00 0.00 175.10 171.04 3fxy s GLY 335 N 0.33 1.60 0.00 6.54 0.00 -0.27 -1.27 107.32 114.25 3fxy s GLY 335 Ca -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.70 3fxy s GLY 335 CO -0.00 0.06 0.00 1.58 0.00 0.00 0.00 173.10 174.74 3fxy n TYR 336 N 3.98 -0.34 -4.61 1.90 4.11 -1.13 -1.99 117.16 119.10 3fxy n TYR 336 Ca -0.18 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.49 3fxy n TYR 336 Cb 0.52 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.72 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 0.28 2.03 0.08 9.48 1.11 -1.26 -3.62 116.67 124.77 3fxy s ASP 337 Ca 0.00 -0.42 0.00 0.00 0.18 0.00 0.00 52.55 52.31 3fxy s ASP 337 Cb 0.00 -0.18 -0.00 0.00 1.07 0.00 0.00 42.92 43.81 3fxy s ASP 337 CO 0.00 0.14 0.02 -0.46 1.18 0.00 0.00 175.17 176.05 3fxy n ASN 338 N 2.17 1.49 -0.18 0.27 0.23 -1.26 -4.90 115.26 113.08 3fxy n ASN 338 Ca -0.16 -1.41 -0.05 0.00 -0.53 0.00 0.00 54.58 52.43 3fxy n ASN 338 Cb 0.54 0.14 0.05 0.00 -2.08 0.00 0.00 39.78 38.43 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 1.10 1.04 -0.10 3.53 2.07 -1.95 -1.92 116.25 120.01 3fxy h VAL 339 Ca -0.07 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3fxy h VAL 339 Cb 0.23 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3fxy h VAL 339 CO 0.11 0.11 0.01 0.50 0.02 0.00 0.00 177.57 178.33 3fxy h LYS 340 N 0.63 0.05 -0.49 1.57 3.64 -1.98 -1.36 116.57 118.63 3fxy h LYS 340 Ca 0.22 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 3fxy h LYS 340 Cb 0.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3fxy h LYS 340 CO -0.11 0.03 -0.13 0.66 -2.27 0.00 0.00 179.45 177.63 3fxy h SER 341 N 0.05 0.92 -0.38 4.20 4.64 -1.74 -1.48 113.55 119.76 3fxy h SER 341 Ca 0.04 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3fxy h SER 341 Cb 0.04 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 3fxy h SER 341 CO -0.06 1.06 0.25 -0.26 -0.87 0.00 0.00 176.83 176.94 3fxy h PHE 342 N 0.82 0.49 -0.42 4.77 -1.00 -1.24 -1.48 116.94 118.87 3fxy h PHE 342 Ca 0.13 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.87 3fxy h PHE 342 Cb 0.67 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 40.05 3fxy h PHE 342 CO 0.04 0.31 0.07 0.22 -1.61 0.00 0.00 178.31 177.35 3fxy h ASP 343 N 0.52 0.65 -0.08 2.17 3.58 -1.00 -0.27 116.42 121.98 3fxy h ASP 343 Ca 0.14 -0.26 0.03 0.00 0.42 0.00 0.00 57.03 57.37 3fxy h ASP 343 Cb -0.05 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 40.79 3fxy h ASP 343 CO -0.03 0.74 -0.13 0.40 -2.88 0.00 0.00 179.24 177.34 3fxy h ILE 344 N 0.54 0.64 -0.81 2.25 2.04 -1.18 -1.18 117.51 119.82 3fxy h ILE 344 Ca 0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 3fxy h ILE 344 Cb 0.36 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3fxy h ILE 344 CO 0.01 0.00 0.47 0.11 0.00 0.00 0.00 178.15 178.74 3fxy h LYS 345 N -0.18 1.10 -0.48 2.37 1.57 -1.12 -1.57 116.57 118.25 3fxy h LYS 345 Ca 0.08 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3fxy h LYS 345 Cb 0.29 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3fxy h LYS 345 CO -0.19 0.79 0.12 0.00 -0.57 0.00 0.00 179.45 179.59 3fxy h ALA 346 N 1.40 0.64 -0.78 3.86 0.00 -0.68 0.28 119.26 123.98 3fxy h ALA 346 Ca 0.29 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3fxy h ALA 346 Cb -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3fxy h ALA 346 CO -0.05 0.32 0.34 1.96 0.00 0.00 0.00 179.25 181.82 3fxy h GLN 347 N 0.65 1.14 -0.40 0.00 1.08 -0.97 -1.78 115.11 114.83 3fxy h GLN 347 Ca 0.15 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3fxy h GLN 347 Cb 0.32 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3fxy h GLN 347 CO 0.00 0.90 0.18 2.35 -0.95 0.00 0.00 178.83 181.31 3fxy h TRP 348 N 1.11 0.60 -0.41 2.96 7.01 -1.03 -2.07 115.95 124.11 3fxy h TRP 348 Ca 0.26 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.23 3fxy h TRP 348 Cb 0.16 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 3fxy h TRP 348 CO 0.01 0.51 0.27 1.25 -2.79 0.00 0.00 178.44 177.70 3fxy h LEU 349 N 0.51 0.48 -0.34 0.65 6.46 -0.83 -2.12 115.31 120.12 3fxy h LEU 349 Ca 0.14 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 3fxy h LEU 349 Cb 0.15 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 3fxy h LEU 349 CO -0.01 0.35 0.16 0.11 -0.62 0.00 0.00 178.44 178.42 3fxy h LYS 350 N 0.56 0.49 -0.20 1.25 1.57 -1.21 -2.28 116.57 116.75 3fxy h LYS 350 Ca 0.15 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3fxy h LYS 350 Cb -0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3fxy h LYS 350 CO -0.03 0.45 -0.13 1.25 -0.57 0.00 0.00 179.45 180.43 3fxy h HIS 351 N 0.41 0.34 -0.00 -1.35 2.76 -1.25 -1.36 115.15 114.69 3fxy h HIS 351 Ca 0.12 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3fxy h HIS 351 Cb 0.13 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 28.99 3fxy h HIS 351 CO -0.01 0.44 -0.01 0.09 -1.30 0.00 0.00 177.93 177.14 3fxy n ASN 352 N -4.25 0.36 -3.39 3.26 3.02 -0.81 -4.94 115.26 108.51 3fxy n ASN 352 Ca -0.00 -0.99 -0.24 0.00 -0.03 0.00 0.00 54.58 53.31 3fxy n ASN 352 Cb 0.28 -0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.78 -5.61 -1.42 3.52 5.02 -0.51 -5.00 118.16 113.37 3fxy n LYS 353 Ca 0.21 0.77 -0.29 0.00 -2.02 0.00 0.00 58.31 56.98 3fxy n LYS 353 Cb 0.19 -5.66 0.15 0.00 -0.02 0.00 0.00 35.03 29.68 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 -3.20 2.40 0.10 2.13 2.99 -1.04 -3.80 117.98 117.57 3fxy s PHE 354 Ca 0.46 0.91 0.23 0.00 0.00 0.00 0.00 56.93 58.53 3fxy s PHE 354 Cb -0.22 -3.33 0.82 0.00 0.00 0.00 0.00 43.02 40.29 3fxy s PHE 354 CO 0.57 -2.50 1.78 0.78 -0.00 0.00 0.00 175.22 175.86 3fxy h GLY 355 N -1.60 0.00 0.00 4.36 0.00 -0.53 -3.45 103.07 101.85 3fxy h GLY 355 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3fxy h GLY 355 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 3fxy n GLY 356 N 0.26 0.20 3.25 4.60 0.00 -1.25 -0.81 105.19 111.44 3fxy n GLY 356 Ca 0.00 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 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 1.64 0.20 4.61 0.00 -0.17 -1.55 121.76 125.50 3fxy s ALA 357 Ca 0.00 -1.13 0.11 0.00 0.00 0.00 0.00 51.96 50.94 3fxy s ALA 357 Cb 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 3fxy s ALA 357 CO 0.00 0.33 -0.22 0.00 0.00 0.00 0.00 175.76 175.87 3fxy s MET 358 N -1.64 1.50 -0.10 0.00 0.23 0.53 -0.26 119.30 119.56 3fxy s MET 358 Ca 0.05 -1.55 0.01 0.00 -1.03 0.00 0.00 55.69 53.17 3fxy s MET 358 Cb -0.10 -1.73 0.02 0.00 -1.53 0.00 0.00 34.83 31.49 3fxy s MET 358 CO 0.03 0.36 -0.13 0.08 -2.03 0.00 0.00 175.02 173.33 3fxy s VAL 359 N -1.91 1.35 -0.32 5.16 1.01 0.15 0.04 120.40 125.88 3fxy s VAL 359 Ca 0.22 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 3fxy s VAL 359 Cb -0.07 -1.25 0.06 0.00 0.00 0.00 0.00 36.38 35.11 3fxy s VAL 359 CO 0.10 0.41 0.04 0.86 0.00 0.00 0.00 175.10 176.51 3fxy s TRP 360 N 1.09 3.31 0.11 5.22 -0.11 -0.50 -1.37 118.94 126.68 3fxy s TRP 360 Ca -0.05 -1.91 0.01 0.00 1.22 0.00 0.00 56.10 55.37 3fxy s TRP 360 Cb -0.14 -2.29 -0.04 0.00 -1.50 0.00 0.00 33.47 29.49 3fxy s TRP 360 CO -0.02 -0.82 -0.04 0.00 -4.62 0.00 0.00 176.95 171.44 3fxy s ALA 361 N 1.25 0.97 0.41 5.86 0.00 -1.26 -1.49 121.76 127.50 3fxy s ALA 361 Ca -0.03 -1.38 0.13 0.00 0.00 0.00 0.00 51.96 50.68 3fxy s ALA 361 Cb -0.20 0.28 0.96 0.00 0.00 0.00 0.00 23.12 24.16 3fxy s ALA 361 CO -0.01 -0.28 1.93 0.97 0.00 0.00 0.00 175.76 178.37 3fxy h ILE 362 N 2.94 0.86 0.00 0.00 2.10 -1.01 -1.43 117.51 120.97 3fxy h ILE 362 Ca -0.35 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.41 3fxy h ILE 362 Cb 1.17 0.31 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 3fxy h ILE 362 CO 0.64 0.09 0.00 -0.90 -1.08 0.00 0.00 178.15 176.91 3fxy n ASP 363 N -4.49 0.00 -0.00 2.19 5.68 -1.26 -3.22 116.55 115.45 3fxy n ASP 363 Ca 0.13 -0.47 0.09 0.00 -0.50 0.00 0.00 54.79 54.03 3fxy n ASP 363 Cb 0.43 -0.15 -0.12 0.00 -1.14 0.00 0.00 41.12 40.15 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 -1.15 0.46 -4.72 -2.12 4.77 -0.54 -4.92 117.00 108.79 3fxy n LEU 364 Ca 0.17 -0.28 -0.31 0.00 -0.03 0.00 0.00 56.01 55.56 3fxy n LEU 364 Cb 0.16 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 3fxy n LEU 364 CO 0.18 0.12 0.68 -0.62 -1.33 0.00 0.00 177.39 176.42 3fxy s ASP 365 N -3.26 3.71 -1.21 -1.43 -1.08 -1.20 -2.03 116.67 110.17 3fxy s ASP 365 Ca 0.01 1.80 -0.20 0.00 -0.52 0.00 0.00 52.55 53.63 3fxy s ASP 365 Cb 0.12 -2.43 -0.03 0.00 -1.46 0.00 0.00 42.92 39.13 3fxy s ASP 365 CO 0.73 -2.53 1.89 -0.67 0.52 0.00 0.00 175.17 175.10 3fxy n ASP 366 N -3.84 3.79 0.17 -0.34 2.03 -1.26 -4.73 116.55 112.37 3fxy n ASP 366 Ca 0.09 -2.79 0.03 0.00 0.52 0.00 0.00 54.79 52.63 3fxy n ASP 366 Cb 0.53 -1.66 0.29 0.00 -0.72 0.00 0.00 41.12 39.56 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 8.31 0.00 0.00 -0.67 -0.00 -1.90 -0.34 116.94 122.34 3fxy h PHE 367 Ca 0.37 0.00 -0.12 0.00 -0.00 0.00 0.00 57.97 58.21 3fxy h PHE 367 Cb 0.85 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.78 3fxy h PHE 367 CO 1.32 0.46 -0.58 1.79 -0.00 0.00 0.00 178.31 181.31 3fxy h THR 368 N 0.00 1.02 0.00 0.88 1.35 -1.92 -3.38 112.91 110.86 3fxy h THR 368 Ca -0.00 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.51 3fxy h THR 368 Cb 0.91 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 3fxy h THR 368 CO 0.06 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 3fxy n GLY 369 N 1.12 0.74 0.18 5.82 0.00 -1.02 -4.73 105.19 107.30 3fxy n GLY 369 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.50 0.00 -0.10 2.61 -2.24 -1.26 -3.85 114.28 106.94 3fxy n THR 370 Ca 0.00 -0.10 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 3fxy n THR 370 Cb 0.00 0.77 -0.14 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.92 0.22 0.45 4.78 3.01 -1.26 -4.71 117.46 119.03 3fxy n PHE 371 Ca 0.07 0.06 0.06 0.00 1.01 0.00 0.00 57.45 58.65 3fxy n PHE 371 Cb 0.37 -1.03 -0.07 0.00 -0.01 0.00 0.00 39.48 38.74 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 -1.40 -5.30 -0.72 0.00 3.02 -1.25 -4.91 115.26 104.70 3fxy n ASN 373 Ca 0.01 -0.27 0.06 0.00 -0.03 0.00 0.00 54.58 54.35 3fxy n ASN 373 Cb 0.21 -4.32 0.18 0.00 -0.61 0.00 0.00 39.78 35.24 3fxy n ASN 373 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fxy n GLN 374 N -3.81 1.36 -0.45 3.52 6.02 -1.26 -5.11 117.38 117.64 3fxy n GLN 374 Ca -0.10 -3.11 0.06 0.00 -0.01 0.00 0.00 57.00 53.84 3fxy n GLN 374 Cb 0.60 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.45 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 -0.90 -1.83 3.77 1.08 0.00 -1.26 -4.39 105.19 101.66 3fxy n GLY 375 Ca 0.17 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.91 4.41 -1.13 1.61 1.02 -1.26 -3.82 119.74 118.66 3fxy s LYS 376 Ca 0.00 1.70 -0.24 0.00 0.02 0.00 0.00 55.97 57.45 3fxy s LYS 376 Cb 0.00 -2.90 0.01 0.00 -0.52 0.00 0.00 37.83 34.42 3fxy s LYS 376 CO 0.00 0.03 0.74 1.19 -0.92 0.00 0.00 175.35 176.39 3fxy n PHE 377 N 0.62 -1.76 -0.26 3.18 3.72 -0.17 -4.80 117.46 117.99 3fxy n PHE 377 Ca 0.02 0.36 -0.05 0.00 -0.05 0.00 0.00 57.45 57.72 3fxy n PHE 377 Cb 0.47 -3.16 0.06 0.00 -0.94 0.00 0.00 39.48 35.90 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 -1.97 0.95 0.07 -1.08 0.13 -1.74 -0.88 132.00 127.47 3fxy h PRO 378 Ca -0.66 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.40 3fxy h PRO 378 Cb 1.37 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3fxy h PRO 378 CO 0.48 0.64 -0.03 -0.07 -0.23 0.00 0.00 178.00 178.78 3fxy h LEU 379 N 0.97 -0.08 -0.61 1.56 3.38 -1.92 -2.57 115.31 116.04 3fxy h LEU 379 Ca 0.26 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 3fxy h LEU 379 Cb -0.09 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3fxy h LEU 379 CO -0.05 0.34 -0.31 0.40 0.09 0.00 0.00 178.44 178.91 3fxy h ILE 380 N -0.51 1.28 -0.95 1.22 2.04 -1.94 -2.61 117.51 116.03 3fxy h ILE 380 Ca -0.01 -1.45 0.11 0.00 1.00 0.00 0.00 64.86 64.51 3fxy h ILE 380 Cb 0.44 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 3fxy h ILE 380 CO 0.02 0.48 0.60 0.28 0.00 0.00 0.00 178.15 179.53 3fxy h SER 381 N 0.65 0.84 -0.67 1.72 0.02 -1.22 -0.34 113.55 114.54 3fxy h SER 381 Ca 0.07 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3fxy h SER 381 Cb 0.84 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 3fxy h SER 381 CO 0.07 0.46 0.43 0.74 -1.14 0.00 0.00 176.83 177.40 3fxy h THR 382 N 0.91 1.13 -0.32 -2.27 2.02 -1.07 -1.78 112.91 111.54 3fxy h THR 382 Ca 0.46 -0.30 -0.11 0.00 0.77 0.00 0.00 66.41 67.23 3fxy h THR 382 Cb 0.49 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3fxy h THR 382 CO -0.22 0.16 -0.24 -0.07 0.37 0.00 0.00 175.52 175.52 3fxy h LEU 383 N 0.87 0.75 -0.50 2.58 3.38 -1.21 -1.12 115.31 120.06 3fxy h LEU 383 Ca 0.26 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3fxy h LEU 383 Cb -0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3fxy h LEU 383 CO -0.08 1.04 0.28 0.50 0.09 0.00 0.00 178.44 180.27 3fxy h LYS 384 N 0.48 0.53 0.05 1.13 3.64 -0.93 0.27 116.57 121.75 3fxy h LYS 384 Ca 0.06 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3fxy h LYS 384 Cb 0.79 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3fxy h LYS 384 CO 0.06 0.35 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.35 3fxy h LYS 385 N 0.55 -0.06 -0.46 1.90 3.64 -1.32 -2.33 116.57 118.49 3fxy h LYS 385 Ca 0.21 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3fxy h LYS 385 Cb 0.06 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3fxy h LYS 385 CO -0.12 0.26 0.30 0.00 -2.27 0.00 0.00 179.45 177.63 3fxy h ALA 386 N 0.53 1.80 -0.01 5.00 0.00 -1.04 -2.07 119.26 123.47 3fxy h ALA 386 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fxy h ALA 386 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3fxy h ALA 386 CO 0.01 0.15 -0.09 1.28 0.00 0.00 0.00 179.25 180.60 3fxy n LEU 387 N -4.48 1.08 -2.86 0.00 4.77 0.07 -4.94 117.00 110.64 3fxy n LEU 387 Ca 0.05 -0.31 -0.20 0.00 -0.03 0.00 0.00 56.01 55.52 3fxy n LEU 387 Cb 0.15 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 3fxy n LEU 387 CO 0.35 0.19 0.11 0.61 -1.33 0.00 0.00 177.39 177.32 3fxy n GLY 388 N 1.22 -0.32 3.77 -0.72 0.00 -0.78 -4.58 105.19 103.78 3fxy n GLY 388 Ca 0.17 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -6.05 4.39 -0.26 0.99 1.43 -0.91 -5.01 118.68 113.27 3fxy s LEU 389 Ca 0.38 2.54 -0.23 0.00 -1.03 0.00 0.00 54.13 55.79 3fxy s LEU 389 Cb -0.17 -3.73 0.07 0.00 0.03 0.00 0.00 46.19 42.39 3fxy s LEU 389 CO 0.48 -0.51 0.69 -1.58 0.23 0.00 0.00 176.35 175.66 3fxy s GLN 390 N -1.85 0.80 0.01 1.70 0.74 -1.26 -4.94 119.66 114.86 3fxy s GLN 390 Ca 0.50 1.00 -0.12 0.00 0.05 0.00 0.00 55.36 56.79 3fxy s GLN 390 Cb -0.36 0.36 0.01 0.00 1.10 0.00 0.00 33.01 34.12 3fxy s GLN 390 CO 0.48 -0.10 0.24 -1.54 -0.55 0.00 0.00 175.29 173.82 3fxy s SER 391 N 0.52 -0.08 0.16 6.67 1.04 -1.26 -5.06 113.70 115.70 3fxy s SER 391 Ca -0.01 -0.14 -0.16 0.00 0.48 0.00 0.00 55.95 56.12 3fxy s SER 391 Cb -0.05 0.29 0.08 0.00 0.10 0.00 0.00 66.02 66.45 3fxy s SER 391 CO -0.02 -0.49 1.75 0.00 0.98 0.00 0.00 173.24 175.46 3fxy h ALA 392 N 3.72 0.45 -0.99 5.32 0.00 -2.01 -2.09 119.26 123.66 3fxy h ALA 392 Ca -0.31 0.05 0.22 0.00 0.00 0.00 0.00 54.91 54.87 3fxy h ALA 392 Cb 1.19 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 3fxy h ALA 392 CO 0.43 -0.26 0.63 0.77 0.00 0.00 0.00 179.25 180.82 3fxy h SER 393 N 0.29 0.56 -0.55 0.00 0.02 -1.97 -2.41 113.55 109.48 3fxy h SER 393 Ca 0.18 0.08 -0.35 0.00 -0.84 0.00 0.00 61.79 60.86 3fxy h SER 393 Cb 0.16 -0.02 -0.16 0.00 0.14 0.00 0.00 62.40 62.52 3fxy h SER 393 CO -0.19 0.17 0.45 0.00 -1.14 0.00 0.00 176.83 176.12 3fxy s THR 395 N -2.41 1.66 -0.40 0.00 -4.23 -0.91 -4.79 115.64 104.57 3fxy s THR 395 Ca 0.35 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.88 3fxy s THR 395 Cb 0.28 -2.86 0.15 0.00 1.34 0.00 0.00 72.50 71.41 3fxy s THR 395 CO 0.01 0.00 0.28 0.00 -0.54 0.00 0.00 174.62 174.37 3fxy s ALA 396 N -2.91 1.37 1.06 3.99 0.00 -1.26 -5.10 121.76 118.92 3fxy s ALA 396 Ca 0.33 -2.26 -0.12 0.00 0.00 0.00 0.00 51.96 49.90 3fxy s ALA 396 Cb 0.09 -1.65 0.23 0.00 0.00 0.00 0.00 23.12 21.78 3fxy s ALA 396 CO 0.16 -2.05 1.06 -2.14 0.00 0.00 0.00 175.76 172.80 3fxy s PRO 397 N 0.47 -0.10 -1.28 0.00 0.02 -1.26 -4.87 135.00 127.99 3fxy s PRO 397 Ca 0.24 0.79 -0.13 0.00 0.02 0.00 0.00 61.00 61.93 3fxy s PRO 397 Cb -0.11 -1.65 -0.05 0.00 0.02 0.00 0.00 34.50 32.70 3fxy s PRO 397 CO -0.08 -3.16 2.37 0.00 -0.33 0.00 0.00 177.00 175.80 3fxy n ALA 398 N -4.51 5.58 -3.02 -1.55 0.00 -1.26 -4.79 120.51 110.97 3fxy n ALA 398 Ca 0.05 -3.30 -0.11 0.00 0.00 0.00 0.00 53.44 50.08 3fxy n ALA 398 Cb 0.55 -3.40 -0.11 0.00 0.00 0.00 0.00 19.45 16.48 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 3.26 0.30 0.00 0.00 -0.21 -1.26 -5.38 119.66 116.37 3fxy s GLN 399 Ca 0.54 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.64 3fxy s GLN 399 Cb 0.15 0.12 0.02 0.00 1.00 0.00 0.00 33.01 34.30 3fxy s GLN 399 CO -0.03 -0.06 0.52 -2.30 -2.12 0.00 0.00 175.29 171.30