#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfk s TRP 11 N 0.00 3.22 0.09 4.78 0.52 -1.26 -5.05 118.94 121.24 1xfk s TRP 11 Ca 0.00 -0.06 -0.02 0.00 0.02 0.00 0.00 56.10 56.05 1xfk s TRP 11 Cb 0.00 -2.47 -0.04 0.00 -1.15 0.00 0.00 33.47 29.81 1xfk s TRP 11 CO 0.00 -0.30 0.02 1.14 0.02 0.00 0.00 176.95 177.84 1xfk s GLN 12 N 1.78 0.77 0.00 4.98 -2.07 -1.26 -4.82 119.66 119.04 1xfk s GLN 12 Ca 0.07 -1.30 0.00 0.00 -1.82 0.00 0.00 55.36 52.31 1xfk s GLN 12 Cb -0.17 0.23 0.00 0.00 -1.09 0.00 0.00 33.01 31.99 1xfk s GLN 12 CO 0.11 -0.19 0.00 0.41 -1.32 0.00 0.00 175.29 174.30 1xfk n GLY 13 N 0.01 1.54 3.76 2.60 0.00 -1.26 -4.66 105.19 107.18 1xfk n GLY 13 Ca -0.10 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 1xfk n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xfk s ARG 14 N 1.56 4.53 -0.08 1.61 3.52 -1.26 -5.06 118.95 123.77 1xfk s ARG 14 Ca 0.00 1.67 0.03 0.00 -0.13 0.00 0.00 55.73 57.29 1xfk s ARG 14 Cb 0.00 -3.00 0.01 0.00 -1.56 0.00 0.00 34.95 30.40 1xfk s ARG 14 CO 0.00 0.15 -0.17 -1.01 -0.81 0.00 0.00 175.30 173.47 1xfk s HIS 15 N -1.32 1.92 -0.65 5.12 3.76 -1.26 -4.95 115.29 117.90 1xfk s HIS 15 Ca 0.48 -0.78 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 1xfk s HIS 15 Cb -0.28 -1.35 0.17 0.00 1.11 0.00 0.00 32.58 32.23 1xfk s HIS 15 CO 0.36 -0.36 0.46 -0.51 -0.85 0.00 0.00 174.74 173.83 1xfk s ASP 16 N 0.61 4.35 0.52 1.40 1.01 -1.26 -4.96 116.67 118.34 1xfk s ASP 16 Ca -0.15 -3.69 0.30 0.00 0.71 0.00 0.00 52.55 49.73 1xfk s ASP 16 Cb -0.16 -1.47 1.44 0.00 1.01 0.00 0.00 42.92 43.73 1xfk s ASP 16 CO 0.05 -0.11 1.87 1.55 0.21 0.00 0.00 175.17 178.74 1xfk h PRO 17 N 5.52 0.05 0.00 8.23 0.13 -1.98 0.37 132.00 144.31 1xfk h PRO 17 Ca 0.14 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1xfk h PRO 17 Cb 0.78 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1xfk h PRO 17 CO 0.67 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.62 1xfk n GLU 18 N -4.29 0.12 -0.00 0.86 0.00 -1.26 -1.91 120.64 114.16 1xfk n GLU 18 Ca 0.20 0.50 0.10 0.00 0.00 0.00 0.00 57.16 57.96 1xfk n GLU 18 Cb 0.97 -1.81 -0.10 0.00 0.00 0.00 0.00 31.44 30.50 1xfk n GLU 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1xfk n ASP 19 N -2.05 0.86 0.00 -1.84 8.00 0.12 -5.07 116.55 116.56 1xfk n ASP 19 Ca 0.01 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.67 1xfk n ASP 19 Cb 0.11 1.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.26 1xfk n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xfk n GLY 20 N 1.47 1.00 0.28 0.44 0.00 -0.80 -2.83 105.19 104.76 1xfk n GLY 20 Ca 0.03 -0.66 0.19 0.00 0.00 0.00 0.00 46.02 45.58 1xfk n GLY 20 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xfk h GLN 21 N 0.00 0.00 0.00 1.61 1.08 -1.94 -2.33 115.11 113.52 1xfk h GLN 21 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1xfk h GLN 21 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1xfk h GLN 21 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 1xfk n ALA 22 N -2.01 2.26 -1.10 3.87 0.00 -1.13 -3.52 120.51 118.88 1xfk n ALA 22 Ca -0.01 -0.11 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 1xfk n ALA 22 Cb 0.15 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.23 1xfk n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfk n GLY 23 N 1.09 4.86 3.69 0.00 0.00 -0.88 -4.98 105.19 108.98 1xfk n GLY 23 Ca 0.09 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1xfk n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xfk s ARG 24 N -2.67 4.29 0.37 1.61 3.52 -1.23 -4.80 118.95 120.04 1xfk s ARG 24 Ca 0.46 1.96 0.07 0.00 -0.13 0.00 0.00 55.73 58.09 1xfk s ARG 24 Cb 0.36 -3.54 -0.07 0.00 -1.56 0.00 0.00 34.95 30.13 1xfk s ARG 24 CO -0.02 -0.55 -0.01 1.03 -0.81 0.00 0.00 175.30 174.94 1xfk s ARG 25 N 2.27 1.86 0.21 5.12 0.52 -1.26 -0.60 118.95 127.07 1xfk s ARG 25 Ca 0.63 -2.02 -0.08 0.00 -0.52 0.00 0.00 55.73 53.74 1xfk s ARG 25 Cb -0.31 -1.53 0.31 0.00 0.52 0.00 0.00 34.95 33.93 1xfk s ARG 25 CO 0.27 -0.02 1.75 0.28 0.02 0.00 0.00 175.30 177.60 1xfk h VAL 26 N 1.91 0.78 0.00 3.52 2.07 -0.72 -1.65 116.25 122.16 1xfk h VAL 26 Ca -0.43 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1xfk h VAL 26 Cb 1.24 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1xfk h VAL 26 CO 0.76 0.08 -0.02 1.12 0.02 0.00 0.00 177.57 179.53 1xfk h HIS 27 N 0.45 0.00 -0.12 1.57 2.07 -1.51 0.42 115.15 118.04 1xfk h HIS 27 Ca 0.33 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.77 1xfk h HIS 27 Cb 0.40 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.37 1xfk h HIS 27 CO -0.16 0.02 -0.27 0.45 -3.07 0.00 0.00 177.93 174.91 1xfk h HIS 28 N 0.00 0.24 0.00 6.12 3.86 -1.59 -3.27 115.15 120.51 1xfk h HIS 28 Ca -0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1xfk h HIS 28 Cb 0.07 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1xfk h HIS 28 CO 0.00 0.47 -0.00 0.44 0.86 0.00 0.00 177.93 179.70 1xfk n ILE 29 N -4.15 0.98 -2.74 2.45 -6.64 -0.60 -5.01 119.36 103.64 1xfk n ILE 29 Ca -0.01 -0.99 -0.42 0.00 -1.77 0.00 0.00 62.75 59.56 1xfk n ILE 29 Cb 0.37 0.50 -0.03 0.00 -1.44 0.00 0.00 39.64 39.04 1xfk n ILE 29 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1xfk s ALA 30 N -1.01 3.21 -0.25 -1.28 0.00 0.04 -2.50 121.76 119.97 1xfk s ALA 30 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1xfk s ALA 30 Cb 0.01 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.89 1xfk s ALA 30 CO 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 175.76 175.50 1xfk s PRO 32 N 1.44 4.22 0.14 0.00 0.02 -1.26 -1.63 135.00 137.92 1xfk s PRO 32 Ca -0.01 2.35 -0.21 0.00 0.02 0.00 0.00 61.00 63.15 1xfk s PRO 32 Cb -0.18 -3.24 0.06 0.00 0.02 0.00 0.00 34.50 31.15 1xfk s PRO 32 CO -0.10 -0.62 0.53 -1.50 -0.33 0.00 0.00 177.00 174.98 1xfk s ILE 33 N 1.43 0.02 -0.01 2.83 2.07 -0.49 -4.90 121.20 122.15 1xfk s ILE 33 Ca 0.71 -0.20 -0.25 0.00 -1.41 0.00 0.00 60.65 59.50 1xfk s ILE 33 Cb -0.43 -1.05 -0.04 0.00 0.13 0.00 0.00 42.46 41.07 1xfk s ILE 33 CO 0.31 -0.11 0.75 -1.10 -1.91 0.00 0.00 174.94 172.88 1xfk s GLN 34 N -3.65 4.47 0.52 3.50 -1.52 -1.26 -4.18 119.66 117.54 1xfk s GLN 34 Ca 0.01 1.00 0.34 0.00 -1.95 0.00 0.00 55.36 54.76 1xfk s GLN 34 Cb -0.00 -3.41 1.49 0.00 -0.22 0.00 0.00 33.01 30.87 1xfk s GLN 34 CO -0.12 0.15 1.80 -0.24 -0.25 0.00 0.00 175.29 176.63 1xfk h VAL 35 N 4.49 0.42 -0.21 1.09 3.04 -1.94 0.23 116.25 123.37 1xfk h VAL 35 Ca -0.42 -0.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 1xfk h VAL 35 Cb 1.20 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 1xfk h VAL 35 CO 0.73 0.01 0.07 1.23 -1.01 0.00 0.00 177.57 178.61 1xfk h GLY 36 N 0.06 0.32 -0.81 3.17 0.00 -1.95 -2.17 103.07 101.69 1xfk h GLY 36 Ca 0.57 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1xfk h GLY 36 CO -0.05 0.13 0.00 1.18 0.00 0.00 0.00 176.54 177.80 1xfk n GLU 37 N -4.43 1.77 -0.01 4.80 4.71 0.79 -4.15 120.64 124.11 1xfk n GLU 37 Ca 0.00 -1.14 0.02 0.00 -0.01 0.00 0.00 57.16 56.03 1xfk n GLU 37 Cb 0.13 -1.43 0.34 0.00 -1.01 0.00 0.00 31.44 29.47 1xfk n GLU 37 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1xfk h LEU 38 N 2.45 0.51 -2.79 -4.62 5.85 -1.38 -2.51 115.31 112.83 1xfk h LEU 38 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1xfk h LEU 38 Cb 0.53 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1xfk h LEU 38 CO 0.00 0.48 0.00 0.00 -0.34 0.00 0.00 178.44 178.58 1xfk h ALA 39 N 1.60 1.21 -0.16 1.25 0.00 -1.77 -2.38 119.26 119.02 1xfk h ALA 39 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xfk h ALA 39 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xfk h ALA 39 CO -0.01 -0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.33 1xfk n ASN 40 N -3.39 3.09 -4.94 0.00 3.02 -0.95 -4.99 115.26 107.10 1xfk n ASN 40 Ca -0.03 -1.97 -0.19 0.00 -0.03 0.00 0.00 54.58 52.35 1xfk n ASN 40 Cb 0.08 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 1xfk n ASN 40 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1xfk s GLN 41 N -1.82 2.91 0.45 3.52 -1.52 -0.90 -5.07 119.66 117.24 1xfk s GLN 41 Ca 0.32 -1.17 -0.25 0.00 -1.95 0.00 0.00 55.36 52.31 1xfk s GLN 41 Cb 0.21 -2.67 -0.08 0.00 -0.22 0.00 0.00 33.01 30.24 1xfk s GLN 41 CO 0.31 0.01 1.43 -1.21 -0.25 0.00 0.00 175.29 175.58 1xfk s GLU 42 N -4.14 3.70 0.23 2.91 0.41 -1.26 -4.87 118.70 115.68 1xfk s GLU 42 Ca 0.45 2.43 -0.32 0.00 -0.41 0.00 0.00 54.97 57.13 1xfk s GLU 42 Cb -0.08 -2.67 -0.12 0.00 -1.78 0.00 0.00 34.13 29.48 1xfk s GLU 42 CO 0.30 -0.81 1.67 -0.35 -0.49 0.00 0.00 175.26 175.58 1xfk n PRO 43 N -0.16 2.70 0.00 0.39 -0.04 -1.26 -4.90 135.00 131.73 1xfk n PRO 43 Ca 0.05 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 1xfk n PRO 43 Cb 0.42 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 1xfk n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xfk n GLY 44 N 3.38 5.37 3.09 0.55 0.00 -1.26 -4.44 105.19 111.88 1xfk n GLY 44 Ca 0.14 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1xfk n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfk s VAL 45 N 1.02 1.29 0.10 1.61 1.01 -0.94 -4.45 120.40 120.04 1xfk s VAL 45 Ca 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 1xfk s VAL 45 Cb 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 1xfk s VAL 45 CO 0.00 0.38 0.40 0.00 0.00 0.00 0.00 175.10 175.88 1xfk s ALA 46 N 0.26 3.74 -0.09 5.51 0.00 -0.45 -0.86 121.76 129.86 1xfk s ALA 46 Ca -0.08 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1xfk s ALA 46 Cb -0.13 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.77 1xfk s ALA 46 CO 0.03 0.59 -0.16 -1.17 0.00 0.00 0.00 175.76 175.05 1xfk s LEU 47 N -2.17 1.79 -0.03 0.00 2.96 0.48 -1.48 118.68 120.22 1xfk s LEU 47 Ca 0.36 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1xfk s LEU 47 Cb -0.13 -1.07 -0.00 0.00 0.50 0.00 0.00 46.19 45.49 1xfk s LEU 47 CO 0.20 0.06 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.53 1xfk s ILE 48 N 0.70 1.09 -0.01 6.68 1.01 -0.13 -1.06 121.20 129.48 1xfk s ILE 48 Ca -0.13 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 1xfk s ILE 48 Cb -0.16 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 1xfk s ILE 48 CO 0.03 0.32 0.09 -0.83 0.00 0.00 0.00 174.94 174.55 1xfk s GLY 49 N -0.00 2.03 -0.45 6.18 0.00 0.10 -0.41 107.32 114.77 1xfk s GLY 49 Ca -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 43.89 1xfk s GLY 49 CO 0.01 -0.71 0.26 -0.12 0.00 0.00 0.00 173.10 172.53 1xfk s PHE 50 N -1.18 1.98 -1.09 1.90 5.36 0.89 -0.42 117.98 125.42 1xfk s PHE 50 Ca 0.22 -2.45 -0.22 0.00 -0.96 0.00 0.00 56.93 53.53 1xfk s PHE 50 Cb -0.12 -1.85 0.05 0.00 -0.34 0.00 0.00 43.02 40.76 1xfk s PHE 50 CO 0.13 -0.77 1.55 -1.21 -1.46 0.00 0.00 175.22 173.46 1xfk s GLU 51 N 0.27 3.65 -0.22 10.12 2.02 0.04 -1.48 118.70 133.09 1xfk s GLU 51 Ca 0.19 -1.33 -0.16 0.00 0.02 0.00 0.00 54.97 53.69 1xfk s GLU 51 Cb -0.22 -5.40 0.06 0.00 0.10 0.00 0.00 34.13 28.68 1xfk s GLU 51 CO -0.02 -2.28 0.57 0.00 0.02 0.00 0.00 175.26 173.55 1xfk n ASP 53 N 3.63 0.16 -0.04 0.00 5.68 -1.26 -1.33 116.55 123.40 1xfk n ASP 53 Ca -0.18 -2.03 -0.03 0.00 -0.50 0.00 0.00 54.79 52.06 1xfk n ASP 53 Cb 0.57 -0.22 0.21 0.00 -1.14 0.00 0.00 41.12 40.54 1xfk n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xfk h ALA 54 N 0.12 1.18 -0.15 2.12 0.00 -1.95 -1.83 119.26 118.74 1xfk h ALA 54 Ca -0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1xfk h ALA 54 Cb 1.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1xfk h ALA 54 CO 0.01 0.53 -0.36 0.78 0.00 0.00 0.00 179.25 180.21 1xfk h GLY 55 N 0.94 0.35 0.90 0.00 0.00 -1.91 -0.99 103.07 102.36 1xfk h GLY 55 Ca 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1xfk h GLY 55 CO 0.03 0.29 0.06 -2.08 0.00 0.00 0.00 176.54 174.83 1xfk h VAL 56 N 0.28 1.23 -0.43 4.60 2.07 -1.75 -0.54 116.25 121.71 1xfk h VAL 56 Ca 0.03 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1xfk h VAL 56 Cb 0.76 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1xfk h VAL 56 CO 0.06 0.25 0.15 -0.08 0.02 0.00 0.00 177.57 177.97 1xfk h GLU 57 N 0.34 0.65 -0.57 1.57 4.81 -1.16 0.11 114.58 120.34 1xfk h GLU 57 Ca 0.10 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1xfk h GLU 57 Cb 0.32 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1xfk h GLU 57 CO 0.00 0.63 0.38 0.00 -0.73 0.00 0.00 179.01 179.29 1xfk h ARG 58 N 0.55 0.69 -0.85 1.92 3.08 -1.02 -1.30 114.38 117.44 1xfk h ARG 58 Ca 0.14 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 1xfk h ARG 58 Cb 0.24 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 1xfk h ARG 58 CO -0.01 0.45 0.10 -1.71 -1.07 0.00 0.00 179.97 177.73 1xfk n ASN 59 N -4.46 3.39 -2.31 7.04 5.15 -0.29 -4.89 115.26 118.89 1xfk n ASN 59 Ca 0.06 -2.57 -0.21 0.00 -0.60 0.00 0.00 54.58 51.27 1xfk n ASN 59 Cb 0.10 -0.62 -0.02 0.00 -0.53 0.00 0.00 39.78 38.72 1xfk n ASN 59 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1xfk n LYS 60 N 0.13 -1.65 -2.17 1.20 5.02 -0.49 -4.99 118.16 115.21 1xfk n LYS 60 Ca 0.19 1.03 -0.14 0.00 -2.02 0.00 0.00 58.31 57.37 1xfk n LYS 60 Cb 0.83 -5.67 0.06 0.00 -0.02 0.00 0.00 35.03 30.23 1xfk n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xfk n GLY 61 N -0.97 1.47 3.60 0.72 0.00 0.34 -5.01 105.19 105.33 1xfk n GLY 61 Ca -0.24 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.25 1xfk n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xfk s ARG 62 N -3.93 3.93 0.79 1.61 0.52 -1.26 -4.54 118.95 116.07 1xfk s ARG 62 Ca 0.42 0.13 -0.11 0.00 -0.52 0.00 0.00 55.73 55.65 1xfk s ARG 62 Cb -0.03 -3.70 0.07 0.00 0.52 0.00 0.00 34.95 31.81 1xfk s ARG 62 CO 0.27 -0.42 1.09 0.95 0.02 0.00 0.00 175.30 177.21 1xfk s THR 63 N 2.29 3.24 0.00 0.02 -4.23 -1.26 -4.51 115.64 111.19 1xfk s THR 63 Ca 0.19 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1xfk s THR 63 Cb -0.16 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1xfk s THR 63 CO 0.10 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1xfk n GLY 64 N -1.35 1.01 0.06 3.99 0.00 -1.26 -4.91 105.19 102.73 1xfk n GLY 64 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 1xfk n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfk n ALA 65 N 0.00 1.15 0.29 4.61 0.00 -1.26 -2.10 120.51 123.20 1xfk n ALA 65 Ca 0.00 0.06 0.18 0.00 0.00 0.00 0.00 53.44 53.69 1xfk n ALA 65 Cb 0.00 -1.16 0.84 0.00 0.00 0.00 0.00 19.45 19.13 1xfk n ALA 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1xfk h LYS 66 N 0.00 0.00 -0.27 0.00 2.10 -1.85 -2.50 116.57 114.04 1xfk h LYS 66 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xfk h LYS 66 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1xfk h LYS 66 CO 0.00 0.01 0.00 0.72 -2.00 0.00 0.00 179.45 178.18 1xfk n HIS 67 N -3.13 0.34 -0.04 0.07 8.25 -0.89 -4.27 115.22 115.54 1xfk n HIS 67 Ca -0.01 -0.17 -0.16 0.00 -0.26 0.00 0.00 57.72 57.13 1xfk n HIS 67 Cb 0.24 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.27 1xfk n HIS 67 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xfk h ALA 68 N 4.46 0.25 -0.96 -1.41 0.00 -1.62 -3.38 119.26 116.60 1xfk h ALA 68 Ca 0.00 -0.49 0.16 0.00 0.00 0.00 0.00 54.91 54.57 1xfk h ALA 68 Cb 0.88 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.48 1xfk h ALA 68 CO 0.00 0.42 -0.36 -1.35 0.00 0.00 0.00 179.25 177.95 1xfk h PRO 69 N 0.22 -0.01 -0.47 0.00 0.11 -1.79 -1.29 132.00 128.77 1xfk h PRO 69 Ca -0.02 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 1xfk h PRO 69 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1xfk h PRO 69 CO 0.10 -0.01 -0.01 0.77 -0.21 0.00 0.00 178.00 178.64 1xfk h SER 70 N -0.01 0.75 -0.23 -2.05 0.02 -1.93 -1.52 113.55 108.58 1xfk h SER 70 Ca 0.36 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 1xfk h SER 70 Cb 0.61 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1xfk h SER 70 CO -0.97 0.83 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.25 1xfk h LEU 71 N 0.73 0.70 -0.53 5.07 3.38 -1.45 0.69 115.31 123.90 1xfk h LEU 71 Ca 0.14 -0.25 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 1xfk h LEU 71 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1xfk h LEU 71 CO 0.02 0.91 -0.55 0.40 0.09 0.00 0.00 178.44 179.32 1xfk h ILE 72 N 0.61 1.32 -0.30 1.22 2.04 -1.09 -1.80 117.51 119.51 1xfk h ILE 72 Ca 0.09 -1.80 -0.13 0.00 1.00 0.00 0.00 64.86 64.02 1xfk h ILE 72 Cb 0.71 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1xfk h ILE 72 CO 0.05 0.56 -0.34 0.11 0.00 0.00 0.00 178.15 178.54 1xfk h LYS 73 N 0.41 0.67 -0.37 2.37 1.57 -0.95 -1.25 116.57 119.02 1xfk h LYS 73 Ca 0.01 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 1xfk h LYS 73 Cb 1.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1xfk h LYS 73 CO 0.10 0.91 0.02 1.96 -0.57 0.00 0.00 179.45 181.87 1xfk h GLN 74 N 0.56 0.64 -0.58 3.15 4.20 -0.72 -1.50 115.11 120.86 1xfk h GLN 74 Ca 0.06 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1xfk h GLN 74 Cb 0.85 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 1xfk h GLN 74 CO 0.07 0.74 0.17 0.00 -0.67 0.00 0.00 178.83 179.14 1xfk h ALA 75 N 0.88 1.21 -0.16 3.87 0.00 -1.21 -2.68 119.26 121.17 1xfk h ALA 75 Ca 0.11 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1xfk h ALA 75 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xfk h ALA 75 CO 0.02 0.55 -0.32 1.25 0.00 0.00 0.00 179.25 180.75 1xfk h LEU 76 N 0.85 0.33 -1.49 0.00 5.85 -0.95 -3.24 115.31 116.66 1xfk h LEU 76 Ca 0.19 -0.12 0.18 0.00 0.84 0.00 0.00 57.88 58.98 1xfk h LEU 76 Cb 0.26 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1xfk h LEU 76 CO -0.01 0.64 0.57 0.00 -0.34 0.00 0.00 178.44 179.30 1xfk h ALA 77 N 1.39 2.13 -0.16 1.25 0.00 -0.92 -2.01 119.26 120.94 1xfk h ALA 77 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xfk h ALA 77 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xfk h ALA 77 CO 0.05 -0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.00 1xfk n ASN 78 N -4.51 1.89 -4.79 0.00 3.02 -1.22 -1.37 115.26 108.27 1xfk n ASN 78 Ca 0.18 -1.72 -0.36 0.00 -0.03 0.00 0.00 54.58 52.65 1xfk n ASN 78 Cb 0.63 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.65 1xfk n ASN 78 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xfk s LEU 79 N -1.64 4.12 0.49 3.41 1.43 -0.76 -4.80 118.68 120.93 1xfk s LEU 79 Ca 0.34 1.92 -0.22 0.00 -1.03 0.00 0.00 54.13 55.13 1xfk s LEU 79 Cb 0.19 -4.25 -0.06 0.00 0.03 0.00 0.00 46.19 42.09 1xfk s LEU 79 CO 0.28 -0.40 1.23 0.00 0.23 0.00 0.00 176.35 177.69 1xfk s ALA 80 N -1.78 2.90 -0.16 4.21 0.00 -1.26 -0.36 121.76 125.31 1xfk s ALA 80 Ca 0.58 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1xfk s ALA 80 Cb -0.18 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.52 1xfk s ALA 80 CO 0.23 -0.91 -0.14 -0.46 0.00 0.00 0.00 175.76 174.48 1xfk s TRP 81 N -1.47 2.27 -0.37 0.00 -0.00 0.23 -4.65 118.94 114.94 1xfk s TRP 81 Ca 0.67 -1.32 0.07 0.00 -0.00 0.00 0.00 56.10 55.52 1xfk s TRP 81 Cb -0.32 -1.63 0.69 0.00 -0.00 0.00 0.00 33.47 32.20 1xfk s TRP 81 CO 0.39 -0.69 1.82 0.72 -0.00 0.00 0.00 176.95 179.18 1xfk n HIS 82 N 4.74 2.58 -4.07 5.86 8.25 -1.26 -4.62 115.22 126.71 1xfk n HIS 82 Ca -0.17 -1.52 -0.13 0.00 -0.26 0.00 0.00 57.72 55.64 1xfk n HIS 82 Cb 0.49 -0.78 -0.12 0.00 1.12 0.00 0.00 29.99 30.71 1xfk n HIS 82 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1xfk s HIS 83 N -3.15 0.61 -0.33 4.41 3.76 -1.26 -5.01 115.29 114.32 1xfk s HIS 83 Ca 0.55 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 1xfk s HIS 83 Cb 0.45 -0.37 0.33 0.00 1.11 0.00 0.00 32.58 34.11 1xfk s HIS 83 CO 0.11 -0.08 1.33 -0.35 -0.85 0.00 0.00 174.74 174.90 1xfk n PRO 84 N 1.70 1.94 -3.92 8.40 -0.04 -1.26 -4.85 135.00 136.97 1xfk n PRO 84 Ca -0.21 -1.43 -0.35 0.00 -0.04 0.00 0.00 63.50 61.47 1xfk n PRO 84 Cb 0.55 -1.64 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 1xfk n PRO 84 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xfk s ILE 85 N -1.62 5.14 0.61 0.52 -1.09 -1.26 -5.10 121.20 118.40 1xfk s ILE 85 Ca 0.26 0.08 -0.10 0.00 -2.23 0.00 0.00 60.65 58.66 1xfk s ILE 85 Cb 0.22 -3.29 -0.03 0.00 -1.58 0.00 0.00 42.46 37.77 1xfk s ILE 85 CO 0.06 0.51 1.01 -2.16 -1.23 0.00 0.00 174.94 173.13 1xfk s PRO 86 N -0.12 3.53 -0.16 2.79 0.04 -1.26 -4.95 135.00 134.87 1xfk s PRO 86 Ca 0.09 0.67 0.02 0.00 0.04 0.00 0.00 61.00 61.81 1xfk s PRO 86 Cb -0.12 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1xfk s PRO 86 CO 0.01 -0.58 -0.20 0.42 0.04 0.00 0.00 177.00 176.69 1xfk s ILE 87 N -3.15 2.13 -0.31 0.56 1.01 -1.04 -2.21 121.20 118.19 1xfk s ILE 87 Ca 0.55 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 1xfk s ILE 87 Cb -0.11 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1xfk s ILE 87 CO 0.53 0.54 0.21 -0.31 0.00 0.00 0.00 174.94 175.91 1xfk s TYR 88 N 1.01 3.22 -0.54 3.97 2.02 -0.04 0.02 117.35 127.01 1xfk s TYR 88 Ca -0.02 -0.04 -0.22 0.00 -0.37 0.00 0.00 57.07 56.43 1xfk s TYR 88 Cb -0.14 -2.42 0.05 0.00 -0.40 0.00 0.00 41.96 39.05 1xfk s TYR 88 CO -0.06 -0.25 0.80 0.34 -1.57 0.00 0.00 175.55 174.80 1xfk s ASP 89 N 1.74 6.27 0.00 2.29 2.15 -0.65 -0.39 116.67 128.09 1xfk s ASP 89 Ca 0.07 -0.69 0.18 0.00 0.43 0.00 0.00 52.55 52.54 1xfk s ASP 89 Cb -0.17 -2.37 0.90 0.00 -0.30 0.00 0.00 42.92 40.99 1xfk s ASP 89 CO 0.11 -1.09 1.61 0.18 -0.17 0.00 0.00 175.17 175.80 1xfk n LEU 90 N 6.87 0.66 0.00 -1.34 4.77 -0.22 -1.40 117.00 126.35 1xfk n LEU 90 Ca -0.03 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1xfk n LEU 90 Cb 0.46 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1xfk n LEU 90 CO 0.59 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1xfk n GLY 91 N 0.91 -1.82 3.27 -0.72 0.00 -1.26 -4.72 105.19 100.85 1xfk n GLY 91 Ca 0.14 -1.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 1xfk n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xfk s ASN 92 N -4.00 2.62 -0.26 1.61 0.01 -1.26 0.00 114.94 113.66 1xfk s ASN 92 Ca 0.00 -0.53 -0.08 0.00 -0.71 0.00 0.00 52.86 51.54 1xfk s ASN 92 Cb 0.00 -0.23 -0.03 0.00 0.41 0.00 0.00 41.25 41.40 1xfk s ASN 92 CO 0.00 0.19 0.11 -0.63 -1.51 0.00 0.00 177.10 175.25 1xfk s ILE 93 N -0.78 4.57 -0.18 0.60 1.09 0.44 -4.92 121.20 122.02 1xfk s ILE 93 Ca 0.08 -0.11 -0.11 0.00 -1.10 0.00 0.00 60.65 59.42 1xfk s ILE 93 Cb -0.09 -3.16 -0.05 0.00 -1.06 0.00 0.00 42.46 38.10 1xfk s ILE 93 CO 0.02 0.30 0.17 -0.60 -0.10 0.00 0.00 174.94 174.73 1xfk s ARG 94 N 1.65 4.13 0.08 2.79 6.06 -1.26 -0.78 118.95 131.62 1xfk s ARG 94 Ca 0.06 -0.13 -0.26 0.00 -2.50 0.00 0.00 55.73 52.91 1xfk s ARG 94 Cb -0.15 -3.40 -0.06 0.00 0.06 0.00 0.00 34.95 31.40 1xfk s ARG 94 CO 0.06 0.34 0.79 0.00 -2.50 0.00 0.00 175.30 173.99 1xfk s GLU 96 N -0.29 3.39 7.89 0.00 2.12 -1.26 -4.92 118.70 125.62 1xfk s GLU 96 Ca 0.39 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1xfk s GLU 96 Cb -0.21 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1xfk s GLU 96 CO 0.25 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 1xfk n GLY 97 N 4.96 3.69 1.21 -1.50 0.00 -1.26 -1.96 105.19 110.34 1xfk n GLY 97 Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1xfk n GLY 97 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xfk n ASP 98 N 7.00 3.47 -2.05 1.61 2.03 -1.26 -4.74 116.55 122.61 1xfk n ASP 98 Ca 0.00 -3.36 -0.14 0.00 0.52 0.00 0.00 54.79 51.80 1xfk n ASP 98 Cb 0.00 -0.62 -0.12 0.00 -0.72 0.00 0.00 41.12 39.66 1xfk n ASP 98 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xfk n GLU 99 N -0.73 1.98 0.03 -0.67 -0.58 -0.83 -4.70 120.64 115.15 1xfk n GLU 99 Ca 0.31 -1.23 -0.13 0.00 -0.42 0.00 0.00 57.16 55.69 1xfk n GLU 99 Cb 1.06 -1.91 -0.06 0.00 -0.57 0.00 0.00 31.44 29.96 1xfk n GLU 99 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1xfk h LEU 100 N 4.43 -1.22 -0.67 -4.62 5.85 -1.85 -2.03 115.31 115.20 1xfk h LEU 100 Ca 0.22 0.16 0.11 0.00 0.84 0.00 0.00 57.88 59.21 1xfk h LEU 100 Cb 1.25 0.49 -0.08 0.00 0.37 0.00 0.00 40.66 42.69 1xfk h LEU 100 CO 0.38 -0.43 0.24 -0.33 -0.34 0.00 0.00 178.44 177.96 1xfk h GLU 101 N -0.52 0.40 -0.50 1.25 3.07 -1.97 0.18 114.58 116.49 1xfk h GLU 101 Ca 0.06 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.79 1xfk h GLU 101 Cb 0.62 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1xfk h GLU 101 CO -0.34 0.26 -0.13 1.96 -1.40 0.00 0.00 179.01 179.36 1xfk h GLN 102 N 0.41 0.97 -0.79 2.33 1.08 -1.92 -2.43 115.11 114.76 1xfk h GLN 102 Ca 0.35 -0.38 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1xfk h GLN 102 Cb 0.48 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 1xfk h GLN 102 CO -0.36 1.05 0.47 0.00 -0.95 0.00 0.00 178.83 179.04 1xfk h ALA 103 N 0.89 1.01 -0.75 3.87 0.00 -0.56 0.17 119.26 123.90 1xfk h ALA 103 Ca 0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1xfk h ALA 103 Cb 0.70 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1xfk h ALA 103 CO 0.05 0.49 0.28 1.96 0.00 0.00 0.00 179.25 182.03 1xfk h GLN 104 N 1.09 1.14 -0.19 0.00 4.20 -0.82 -1.61 115.11 118.92 1xfk h GLN 104 Ca 0.28 -0.22 -0.19 0.00 0.06 0.00 0.00 58.65 58.58 1xfk h GLN 104 Cb -0.02 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1xfk h GLN 104 CO -0.05 0.94 -0.65 0.37 -0.67 0.00 0.00 178.83 178.77 1xfk h GLN 105 N 1.09 0.72 -0.97 1.46 5.75 -1.01 -0.94 115.11 121.22 1xfk h GLN 105 Ca 0.25 -0.52 0.06 0.00 -0.15 0.00 0.00 58.65 58.28 1xfk h GLN 105 Cb 0.25 0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.82 1xfk h GLN 105 CO -0.02 1.14 0.62 1.49 -2.65 0.00 0.00 178.83 179.42 1xfk h GLU 106 N 0.53 1.12 -0.28 1.69 4.81 -0.74 0.17 114.58 121.88 1xfk h GLU 106 Ca -0.02 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 1xfk h GLU 106 Cb 1.25 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1xfk h GLU 106 CO 0.13 0.74 -0.16 0.00 -0.73 0.00 0.00 179.01 178.99 1xfk h ALA 108 N 0.74 1.90 -0.61 0.00 0.00 -0.04 -1.79 119.26 119.46 1xfk h ALA 108 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xfk h ALA 108 Cb 0.68 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1xfk h ALA 108 CO 0.05 -0.05 0.35 1.96 0.00 0.00 0.00 179.25 181.56 1xfk h GLN 109 N 0.55 0.84 -0.19 0.00 1.08 -0.46 -0.47 115.11 116.45 1xfk h GLN 109 Ca 0.31 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.40 1xfk h GLN 109 Cb 0.49 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1xfk h GLN 109 CO -0.10 0.62 0.01 0.28 -0.95 0.00 0.00 178.83 178.69 1xfk h VAL 110 N 0.82 1.24 -0.26 -0.54 2.07 -1.29 -2.74 116.25 115.56 1xfk h VAL 110 Ca 0.22 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.97 1xfk h VAL 110 Cb 0.01 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1xfk h VAL 110 CO -0.04 0.25 -0.03 0.40 0.02 0.00 0.00 177.57 178.17 1xfk h ILE 111 N 0.11 0.78 -0.71 4.57 2.04 -1.21 -0.60 117.51 122.49 1xfk h ILE 111 Ca 0.06 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 65.99 1xfk h ILE 111 Cb 0.36 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 1xfk h ILE 111 CO 0.01 0.01 0.36 -0.61 0.00 0.00 0.00 178.15 177.92 1xfk h GLN 112 N 0.04 0.61 -0.07 2.37 4.15 -1.03 0.28 115.11 121.46 1xfk h GLN 112 Ca 0.12 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.37 1xfk h GLN 112 Cb 0.17 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1xfk h GLN 112 CO -0.23 0.40 -0.56 1.96 -1.93 0.00 0.00 178.83 178.47 1xfk h GLN 113 N 0.62 0.22 0.04 1.69 4.20 -1.13 -3.31 115.11 117.43 1xfk h GLN 113 Ca 0.34 -0.14 -0.17 0.00 0.06 0.00 0.00 58.65 58.74 1xfk h GLN 113 Cb 0.34 0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.15 1xfk h GLN 113 CO -0.25 0.72 -0.71 0.00 -0.67 0.00 0.00 178.83 177.92 1xfk h ALA 114 N 1.26 0.04 -1.10 3.87 0.00 -0.33 -3.37 119.26 119.63 1xfk h ALA 114 Ca -0.00 -0.61 0.36 0.00 0.00 0.00 0.00 54.91 54.66 1xfk h ALA 114 Cb 1.03 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 1xfk h ALA 114 CO 0.08 0.39 0.66 -0.07 0.00 0.00 0.00 179.25 180.32 1xfk h LEU 115 N -0.11 0.40 -1.97 0.00 4.07 -1.03 0.12 115.31 116.78 1xfk h LEU 115 Ca -0.10 0.17 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 1xfk h LEU 115 Cb 1.44 0.14 -0.00 0.00 1.08 0.00 0.00 40.66 43.31 1xfk h LEU 115 CO 0.14 -0.17 -0.10 -0.65 -1.08 0.00 0.00 178.44 176.58 1xfk h PRO 116 N 0.22 0.00 0.00 1.13 0.11 -1.75 -3.24 132.00 128.47 1xfk h PRO 116 Ca 0.76 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.87 1xfk h PRO 116 Cb 2.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.11 1xfk h PRO 116 CO -0.54 0.10 -1.32 0.72 -0.21 0.00 0.00 178.00 176.75 1xfk n HIS 117 N -3.55 0.00 -3.43 0.65 8.25 0.29 -5.06 115.22 112.38 1xfk n HIS 117 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1xfk n HIS 117 Cb 0.23 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 1xfk n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xfk s ALA 118 N -2.65 -1.62 0.35 -1.41 0.00 -0.50 -4.47 121.76 111.45 1xfk s ALA 118 Ca -0.02 0.59 -0.07 0.00 0.00 0.00 0.00 51.96 52.45 1xfk s ALA 118 Cb 0.08 0.79 -0.06 0.00 0.00 0.00 0.00 23.12 23.93 1xfk s ALA 118 CO 0.48 -0.73 0.66 1.03 0.00 0.00 0.00 175.76 177.20 1xfk s ARG 119 N -3.48 3.69 0.16 0.00 1.81 -1.26 -3.63 118.95 116.24 1xfk s ARG 119 Ca -0.00 0.21 0.06 0.00 -1.72 0.00 0.00 55.73 54.27 1xfk s ARG 119 Cb -0.01 -2.52 -0.04 0.00 -0.45 0.00 0.00 34.95 31.92 1xfk s ARG 119 CO -0.11 0.09 -0.12 0.00 -0.68 0.00 0.00 175.30 174.48 1xfk s ALA 120 N -2.24 1.62 -0.11 2.13 0.00 -1.19 -1.34 121.76 120.62 1xfk s ALA 120 Ca 0.47 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 50.96 1xfk s ALA 120 Cb -0.10 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1xfk s ALA 120 CO 0.31 -0.00 -0.16 0.42 0.00 0.00 0.00 175.76 176.33 1xfk s ILE 121 N -2.94 1.57 -0.21 0.00 1.01 -0.55 -1.78 121.20 118.30 1xfk s ILE 121 Ca 0.16 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 1xfk s ILE 121 Cb -0.00 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1xfk s ILE 121 CO 0.03 0.45 0.03 -0.69 0.00 0.00 0.00 174.94 174.76 1xfk s VAL 122 N 0.99 4.19 -0.24 2.92 1.01 0.95 -0.95 120.40 129.27 1xfk s VAL 122 Ca -0.06 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1xfk s VAL 122 Cb -0.15 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 1xfk s VAL 122 CO -0.02 0.41 0.01 -0.76 0.00 0.00 0.00 175.10 174.74 1xfk s LEU 123 N 1.03 3.18 0.00 3.92 1.43 0.45 -1.55 118.68 127.13 1xfk s LEU 123 Ca 0.03 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1xfk s LEU 123 Cb -0.14 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1xfk s LEU 123 CO 0.02 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1xfk n GLY 124 N 4.85 5.24 0.00 -3.19 0.00 -1.00 -0.08 105.19 111.01 1xfk n GLY 124 Ca -0.17 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1xfk n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfk n GLY 125 N 2.93 0.75 3.52 -0.02 0.00 -0.55 -4.07 105.19 107.76 1xfk n GLY 125 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1xfk n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xfk s GLY 126 N 0.00 1.54 0.00 -0.02 0.00 -0.44 -0.20 107.32 108.20 1xfk s GLY 126 Ca 0.00 -0.24 0.13 0.00 0.00 0.00 0.00 44.72 44.62 1xfk s GLY 126 CO 0.00 0.48 1.25 1.57 0.00 0.00 0.00 173.10 176.40 1xfk n HIS 127 N -4.82 0.00 0.35 1.90 -0.00 -1.26 -1.94 115.22 109.44 1xfk n HIS 127 Ca 0.03 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.31 1xfk n HIS 127 Cb 0.55 0.00 0.44 0.00 -0.12 0.00 0.00 29.99 30.86 1xfk n HIS 127 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1xfk n GLU 128 N -0.85 0.13 0.27 1.57 0.00 -1.26 -1.70 120.64 118.80 1xfk n GLU 128 Ca 0.10 0.43 0.11 0.00 0.00 0.00 0.00 57.16 57.81 1xfk n GLU 128 Cb 0.05 -1.78 0.76 0.00 0.00 0.00 0.00 31.44 30.46 1xfk n GLU 128 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 1xfk h ILE 129 N 0.00 0.76 -0.32 3.84 2.10 -1.74 -2.73 117.51 119.43 1xfk h ILE 129 Ca 0.00 -0.10 -0.00 0.00 1.08 0.00 0.00 64.86 65.84 1xfk h ILE 129 Cb 0.25 1.06 -0.02 0.00 -1.09 0.00 0.00 36.82 37.02 1xfk h ILE 129 CO 0.00 0.03 0.19 0.00 -1.08 0.00 0.00 178.15 177.29 1xfk h ALA 130 N 1.97 1.75 -0.12 0.18 0.00 -1.60 -0.51 119.26 120.92 1xfk h ALA 130 Ca -0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1xfk h ALA 130 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xfk h ALA 130 CO 0.00 0.23 -0.55 2.35 0.00 0.00 0.00 179.25 181.28 1xfk h TRP 131 N 0.43 0.47 -0.18 0.00 -0.00 -1.71 -1.17 115.95 113.80 1xfk h TRP 131 Ca 0.12 -0.17 -0.05 0.00 -0.00 0.00 0.00 58.89 58.79 1xfk h TRP 131 Cb -0.02 -0.09 -0.00 0.00 -0.00 0.00 0.00 29.16 29.04 1xfk h TRP 131 CO 0.00 0.85 -0.09 0.00 -0.00 0.00 0.00 178.44 179.19 1xfk h ALA 132 N 1.12 0.25 -0.27 2.65 0.00 -1.38 -2.06 119.26 119.56 1xfk h ALA 132 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1xfk h ALA 132 Cb 1.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1xfk h ALA 132 CO 0.09 0.07 0.10 1.15 0.00 0.00 0.00 179.25 180.67 1xfk h THR 133 N 0.05 1.18 -0.46 0.00 2.02 -1.09 -1.70 112.91 112.92 1xfk h THR 133 Ca 0.04 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 1xfk h THR 133 Cb 0.58 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1xfk h THR 133 CO 0.03 0.18 0.17 0.15 0.37 0.00 0.00 175.52 176.42 1xfk h PHE 134 N 0.28 0.70 -0.31 3.16 3.57 -1.25 -1.43 116.94 121.66 1xfk h PHE 134 Ca 0.09 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1xfk h PHE 134 Cb 0.19 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1xfk h PHE 134 CO -0.01 0.61 0.09 1.96 -2.23 0.00 0.00 178.31 178.73 1xfk h GLN 135 N 0.59 0.22 -0.55 1.11 4.20 -1.25 0.38 115.11 119.81 1xfk h GLN 135 Ca 0.15 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.92 1xfk h GLN 135 Cb 0.21 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 1xfk h GLN 135 CO -0.01 0.14 0.24 0.78 -0.67 0.00 0.00 178.83 179.31 1xfk h GLY 136 N 0.22 0.77 0.86 3.46 0.00 -1.08 0.20 103.07 107.50 1xfk h GLY 136 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1xfk h GLY 136 CO -0.15 0.05 0.06 -2.00 0.00 0.00 0.00 176.54 174.50 1xfk h LEU 137 N 0.46 0.31 -0.17 3.11 5.85 -0.49 -2.04 115.31 122.32 1xfk h LEU 137 Ca 0.26 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1xfk h LEU 137 Cb 0.25 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1xfk h LEU 137 CO -0.23 0.45 0.08 0.00 -0.34 0.00 0.00 178.44 178.40 1xfk h ALA 138 N 0.87 0.23 -0.19 1.25 0.00 0.15 -2.32 119.26 119.25 1xfk h ALA 138 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xfk h ALA 138 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xfk h ALA 138 CO -0.00 -0.21 0.06 1.96 0.00 0.00 0.00 179.25 181.06 1xfk h GLN 139 N 0.15 0.27 -0.34 0.00 4.20 -0.62 -1.38 115.11 117.40 1xfk h GLN 139 Ca 0.06 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1xfk h GLN 139 Cb 0.13 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1xfk h GLN 139 CO -0.01 0.24 0.03 1.25 -0.67 0.00 0.00 178.83 179.67 1xfk h HIS 140 N 0.27 0.63 -0.24 2.96 2.76 -1.03 -1.44 115.15 119.05 1xfk h HIS 140 Ca 0.07 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1xfk h HIS 140 Cb 0.08 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1xfk h HIS 140 CO 0.00 0.67 0.10 0.74 -1.30 0.00 0.00 177.93 178.14 1xfk h PHE 141 N 0.40 0.36 -0.36 5.26 0.04 -0.78 -1.64 116.94 120.22 1xfk h PHE 141 Ca 0.10 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.87 1xfk h PHE 141 Cb 0.41 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 1xfk h PHE 141 CO 0.03 0.38 0.18 -0.07 -0.60 0.00 0.00 178.31 178.23 1xfk h LEU 142 N 0.23 0.25 -1.04 1.54 3.38 -1.25 -1.18 115.31 117.24 1xfk h LEU 142 Ca 0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1xfk h LEU 142 Cb 0.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1xfk h LEU 142 CO -0.01 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.71 1xfk h ALA 143 N 1.19 1.00 -0.15 1.53 0.00 -1.09 -3.06 119.26 118.68 1xfk h ALA 143 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xfk h ALA 143 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xfk h ALA 143 CO -0.11 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.39 1xfk n THR 144 N -2.40 1.70 -0.79 0.00 -2.24 -0.63 -4.99 114.28 104.93 1xfk n THR 144 Ca 0.01 -1.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.12 1xfk n THR 144 Cb 0.20 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1xfk n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xfk n GLY 145 N -0.59 0.83 3.55 3.38 0.00 -0.98 -4.98 105.19 106.39 1xfk n GLY 145 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1xfk n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfk s VAL 146 N -3.20 3.75 0.07 1.61 1.01 -0.51 -4.88 120.40 118.25 1xfk s VAL 146 Ca 0.00 0.30 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 1xfk s VAL 146 Cb 0.00 -4.93 -0.10 0.00 0.00 0.00 0.00 36.38 31.35 1xfk s VAL 146 CO 0.00 -1.86 1.44 0.11 0.00 0.00 0.00 175.10 174.79 1xfk h LYS 147 N 10.00 0.49 -2.13 2.72 1.57 -1.94 -3.38 116.57 123.92 1xfk h LYS 147 Ca -0.24 -0.22 -0.57 0.00 -1.87 0.00 0.00 60.65 57.75 1xfk h LYS 147 Cb 1.05 -0.01 -0.39 0.00 0.08 0.00 0.00 32.23 32.95 1xfk h LYS 147 CO 1.29 0.76 -1.01 0.94 -0.57 0.00 0.00 179.45 180.87 1xfk n GLN 148 N -4.50 0.86 -2.07 3.15 7.27 -1.26 -5.02 117.38 115.81 1xfk n GLN 148 Ca -0.04 -3.42 -0.41 0.00 0.07 0.00 0.00 57.00 53.20 1xfk n GLN 148 Cb 0.34 -1.45 -0.02 0.00 2.41 0.00 0.00 30.24 31.52 1xfk n GLN 148 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1xfk s PRO 149 N -1.10 4.31 -0.59 3.69 0.04 -1.26 -4.97 135.00 135.11 1xfk s PRO 149 Ca 0.35 2.26 -0.16 0.00 0.04 0.00 0.00 61.00 63.49 1xfk s PRO 149 Cb 0.14 -3.08 0.14 0.00 0.04 0.00 0.00 34.50 31.73 1xfk s PRO 149 CO -0.12 -0.28 0.59 1.03 0.04 0.00 0.00 177.00 178.26 1xfk s ARG 150 N -1.37 3.09 -0.23 4.56 0.52 -1.26 -4.64 118.95 119.62 1xfk s ARG 150 Ca 0.52 -1.72 -0.09 0.00 -0.52 0.00 0.00 55.73 53.92 1xfk s ARG 150 Cb -0.41 -4.32 -0.04 0.00 0.52 0.00 0.00 34.95 30.70 1xfk s ARG 150 CO 0.51 -1.38 0.13 0.42 0.02 0.00 0.00 175.30 174.99 1xfk s ILE 151 N 1.68 5.06 -0.32 1.52 1.01 -1.26 -0.22 121.20 128.67 1xfk s ILE 151 Ca 0.07 0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.66 1xfk s ILE 151 Cb -0.26 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 1xfk s ILE 151 CO 0.02 0.36 0.32 -0.83 0.00 0.00 0.00 174.94 174.80 1xfk s GLY 152 N 1.09 1.91 -0.35 6.18 0.00 0.12 -4.04 107.32 112.24 1xfk s GLY 152 Ca 0.06 -1.14 -0.13 0.00 0.00 0.00 0.00 44.72 43.51 1xfk s GLY 152 CO 0.04 0.90 0.24 -0.42 0.00 0.00 0.00 173.10 173.86 1xfk s ILE 153 N 1.94 5.27 -0.28 0.90 1.01 0.36 -0.71 121.20 129.68 1xfk s ILE 153 Ca 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 1xfk s ILE 153 Cb -0.16 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.61 1xfk s ILE 153 CO 0.11 -0.04 0.00 -0.63 0.00 0.00 0.00 174.94 174.39 1xfk s ILE 154 N 1.72 3.24 -0.17 2.92 1.01 -0.44 -0.50 121.20 128.98 1xfk s ILE 154 Ca 0.06 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 1xfk s ILE 154 Cb -0.18 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 1xfk s ILE 154 CO 0.10 0.06 -0.11 0.21 0.00 0.00 0.00 174.94 175.21 1xfk s ASN 155 N 1.35 4.02 -0.44 3.58 2.47 0.58 -1.09 114.94 125.41 1xfk s ASN 155 Ca -0.01 -0.38 -0.15 0.00 0.42 0.00 0.00 52.86 52.74 1xfk s ASN 155 Cb -0.18 -1.64 0.04 0.00 -1.45 0.00 0.00 41.25 38.02 1xfk s ASN 155 CO -0.01 0.08 0.34 -0.36 -3.72 0.00 0.00 177.10 173.43 1xfk s PHE 156 N 0.84 3.24 -0.07 0.43 0.08 -0.66 -0.24 117.98 121.61 1xfk s PHE 156 Ca -0.03 -0.76 -0.26 0.00 0.12 0.00 0.00 56.93 56.00 1xfk s PHE 156 Cb -0.15 -2.85 0.06 0.00 -0.57 0.00 0.00 43.02 39.51 1xfk s PHE 156 CO 0.00 -0.69 0.58 0.34 -0.10 0.00 0.00 175.22 175.36 1xfk s ASP 157 N 2.09 -0.54 0.19 1.36 -1.08 -0.90 -0.39 116.67 117.40 1xfk s ASP 157 Ca 0.04 0.65 0.26 0.00 -0.52 0.00 0.00 52.55 52.99 1xfk s ASP 157 Cb -0.21 0.60 0.76 0.00 -1.46 0.00 0.00 42.92 42.61 1xfk s ASP 157 CO 0.08 -0.51 1.72 0.00 0.52 0.00 0.00 175.17 176.98 1xfk n ALA 158 N 1.29 2.38 -2.40 3.66 0.00 -1.26 -2.73 120.51 121.46 1xfk n ALA 158 Ca -0.19 -0.06 -0.30 0.00 0.00 0.00 0.00 53.44 52.89 1xfk n ALA 158 Cb 0.57 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.45 1xfk n ALA 158 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1xfk s HIS 159 N -3.11 2.39 0.24 0.00 3.76 -1.26 -1.18 115.29 116.13 1xfk s HIS 159 Ca 0.10 -0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 54.64 1xfk s HIS 159 Cb 0.13 -1.37 0.26 0.00 1.11 0.00 0.00 32.58 32.71 1xfk s HIS 159 CO 0.61 0.23 1.64 0.74 -0.85 0.00 0.00 174.74 177.11 1xfk h PHE 160 N 4.42 0.70 -6.11 1.40 0.04 -1.94 -3.47 116.94 111.97 1xfk h PHE 160 Ca -0.48 -0.17 -0.44 0.00 2.80 0.00 0.00 57.97 59.68 1xfk h PHE 160 Cb 1.15 -0.16 0.04 0.00 2.20 0.00 0.00 35.95 39.18 1xfk h PHE 160 CO 0.53 0.84 -0.76 -0.25 -0.60 0.00 0.00 178.31 178.07 1xfk n ASP 161 N -4.08 -3.89 -1.01 2.17 8.00 -1.26 -4.81 116.55 111.66 1xfk n ASP 161 Ca -0.01 -0.73 0.02 0.00 0.71 0.00 0.00 54.79 54.78 1xfk n ASP 161 Cb 0.46 -4.24 0.23 0.00 -0.02 0.00 0.00 41.12 37.55 1xfk n ASP 161 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xfk n LEU 162 N -4.59 4.02 -4.72 0.64 4.77 -1.06 -2.40 117.00 113.66 1xfk n LEU 162 Ca -0.08 -3.34 -0.35 0.00 -0.03 0.00 0.00 56.01 52.21 1xfk n LEU 162 Cb 0.58 -0.59 0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1xfk n LEU 162 CO 0.71 0.92 0.81 -0.13 -1.33 0.00 0.00 177.39 178.37 1xfk s ARG 163 N -3.02 2.10 0.18 3.23 0.52 0.78 -4.62 118.95 118.13 1xfk s ARG 163 Ca 0.43 1.81 -0.30 0.00 -0.52 0.00 0.00 55.73 57.16 1xfk s ARG 163 Cb 0.37 -1.82 -0.08 0.00 0.52 0.00 0.00 34.95 33.94 1xfk s ARG 163 CO 0.05 -1.87 1.13 0.95 0.02 0.00 0.00 175.30 175.58 1xfk s THR 164 N -1.91 3.76 -0.30 0.02 -4.23 -1.26 -4.39 115.64 107.33 1xfk s THR 164 Ca 0.76 1.51 0.09 0.00 -1.18 0.00 0.00 61.69 62.87 1xfk s THR 164 Cb -0.30 -3.97 -0.11 0.00 1.34 0.00 0.00 72.50 69.46 1xfk s THR 164 CO 0.45 0.26 0.32 2.22 -0.54 0.00 0.00 174.62 177.33 1xfk n PHE 165 N 2.38 0.00 -3.56 3.99 1.16 -1.26 -4.61 117.46 115.56 1xfk n PHE 165 Ca 0.03 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.36 1xfk n PHE 165 Cb 0.46 -0.06 -0.15 0.00 -1.61 0.00 0.00 39.48 38.11 1xfk n PHE 165 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1xfk s GLU 166 N -2.08 0.13 0.00 3.97 2.56 -1.26 -3.15 118.70 118.87 1xfk s GLU 166 Ca 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.97 54.84 1xfk s GLU 166 Cb 0.06 -1.50 -0.01 0.00 2.00 0.00 0.00 34.13 34.69 1xfk s GLU 166 CO 0.37 -0.78 -0.04 0.45 -0.56 0.00 0.00 175.26 174.71 1xfk s SER 167 N 2.17 0.40 -0.33 -1.70 0.15 -1.26 -5.01 113.70 108.11 1xfk s SER 167 Ca 0.05 -0.14 0.05 0.00 0.70 0.00 0.00 55.95 56.62 1xfk s SER 167 Cb -0.16 -0.02 0.59 0.00 -1.71 0.00 0.00 66.02 64.72 1xfk s SER 167 CO -0.18 -0.01 1.71 -0.62 1.20 0.00 0.00 173.24 175.34 1xfk n GLU 168 N 2.75 2.55 0.00 5.44 1.02 -1.26 -3.91 120.64 127.24 1xfk n GLU 168 Ca -0.14 -2.53 0.00 0.00 -0.02 0.00 0.00 57.16 54.47 1xfk n GLU 168 Cb 0.58 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1xfk n GLU 168 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1xfk n LEU 169 N -0.55 0.00 -3.43 -4.62 0.00 -1.26 -5.08 117.00 102.07 1xfk n LEU 169 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 56.32 1xfk n LEU 169 Cb 1.38 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 44.78 1xfk n LEU 169 CO 0.45 0.00 0.40 0.00 0.00 0.00 0.00 177.39 178.25 1xfk s ALA 170 N -1.92 -1.62 -1.27 1.96 0.00 -1.25 -5.10 121.76 112.56 1xfk s ALA 170 Ca 0.00 0.57 -0.18 0.00 0.00 0.00 0.00 51.96 52.36 1xfk s ALA 170 Cb 0.00 0.80 0.08 0.00 0.00 0.00 0.00 23.12 24.01 1xfk s ALA 170 CO 0.00 -0.73 1.67 -1.25 0.00 0.00 0.00 175.76 175.45 1xfk s PRO 171 N -3.50 3.98 0.36 0.00 0.04 -1.26 -4.37 135.00 130.25 1xfk s PRO 171 Ca -0.00 -2.04 0.07 0.00 0.04 0.00 0.00 61.00 59.08 1xfk s PRO 171 Cb -0.01 -5.45 -0.02 0.00 0.04 0.00 0.00 34.50 29.06 1xfk s PRO 171 CO -0.11 -2.18 0.40 0.14 0.04 0.00 0.00 177.00 175.29 1xfk s VAL 172 N 3.86 3.52 0.18 -0.36 -7.23 -1.26 -5.10 120.40 114.02 1xfk s VAL 172 Ca 0.52 -1.19 -0.14 0.00 -1.81 0.00 0.00 61.98 59.36 1xfk s VAL 172 Cb 0.03 -3.21 0.01 0.00 0.56 0.00 0.00 36.38 33.77 1xfk s VAL 172 CO 0.06 -0.12 0.42 -0.13 -0.31 0.00 0.00 175.10 175.01 1xfk s ARG 173 N -4.12 1.29 0.57 4.82 0.52 -1.19 -4.62 118.95 116.23 1xfk s ARG 173 Ca 0.45 -1.02 -0.21 0.00 -0.52 0.00 0.00 55.73 54.44 1xfk s ARG 173 Cb -0.07 0.46 -0.04 0.00 0.52 0.00 0.00 34.95 35.82 1xfk s ARG 173 CO 0.29 -0.52 1.35 -2.30 0.02 0.00 0.00 175.30 174.15 1xfk n PRO 174 N -0.29 1.57 -0.29 3.54 -0.02 -1.26 -4.65 135.00 133.61 1xfk n PRO 174 Ca -0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1xfk n PRO 174 Cb 0.63 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1xfk n PRO 174 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xfk n SER 175 N -1.25 0.00 0.12 2.55 3.41 -1.26 -4.91 113.62 112.28 1xfk n SER 175 Ca 0.12 -0.24 0.13 0.00 -0.26 0.00 0.00 58.87 58.61 1xfk n SER 175 Cb 0.45 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.85 1xfk n SER 175 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xfk n SER 176 N -0.33 0.75 -0.81 4.04 3.41 -0.75 -3.27 113.62 116.66 1xfk n SER 176 Ca 0.00 0.62 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 1xfk n SER 176 Cb 0.00 -0.81 0.14 0.00 -0.26 0.00 0.00 64.21 63.29 1xfk n SER 176 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xfk n GLY 177 N 0.67 1.34 0.07 5.00 0.00 -1.26 -4.33 105.19 106.68 1xfk n GLY 177 Ca 0.04 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.56 1xfk n GLY 177 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xfk n THR 178 N 0.99 0.00 -0.30 2.61 -2.24 -1.20 -0.16 114.28 113.97 1xfk n THR 178 Ca 0.13 -0.44 0.04 0.00 -2.27 0.00 0.00 64.05 61.52 1xfk n THR 178 Cb 0.46 1.04 0.13 0.00 -2.10 0.00 0.00 70.33 69.86 1xfk n THR 178 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1xfk h PRO 179 N 0.33 0.01 0.00 -0.78 0.11 -1.66 -0.81 132.00 129.19 1xfk h PRO 179 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1xfk h PRO 179 Cb 0.13 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1xfk h PRO 179 CO 0.00 0.00 0.00 0.74 -0.21 0.00 0.00 178.00 178.53 1xfk h PHE 180 N 0.01 0.00 0.01 0.65 0.04 -1.79 -0.97 116.94 114.89 1xfk h PHE 180 Ca 0.43 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.97 1xfk h PHE 180 Cb 0.67 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.84 1xfk h PHE 180 CO -0.65 0.00 -0.90 -0.97 -0.60 0.00 0.00 178.31 175.19 1xfk h ASN 181 N 0.00 0.78 -0.75 2.17 -0.73 -1.30 -2.31 115.58 113.44 1xfk h ASN 181 Ca 0.00 -0.75 -0.03 0.00 1.87 0.00 0.00 56.30 57.39 1xfk h ASN 181 Cb 0.73 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 39.05 1xfk h ASN 181 CO 0.00 1.43 0.37 1.56 -0.37 0.00 0.00 177.43 180.43 1xfk h GLN 182 N 0.20 1.09 -0.50 6.67 4.20 -1.05 -0.85 115.11 124.87 1xfk h GLN 182 Ca -0.11 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 1xfk h GLN 182 Cb 1.58 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 29.13 1xfk h GLN 182 CO 0.18 0.83 0.13 0.82 -0.67 0.00 0.00 178.83 180.12 1xfk h ILE 183 N 1.08 1.24 -0.38 2.54 2.04 -1.13 -1.02 117.51 121.87 1xfk h ILE 183 Ca 0.26 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1xfk h ILE 183 Cb 0.10 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1xfk h ILE 183 CO -0.04 0.30 0.25 -0.74 0.00 0.00 0.00 178.15 177.92 1xfk h HIS 184 N 0.68 0.49 -0.40 1.37 2.76 -0.90 -0.96 115.15 118.19 1xfk h HIS 184 Ca 0.16 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.39 1xfk h HIS 184 Cb 0.31 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.06 1xfk h HIS 184 CO 0.02 0.32 0.10 0.45 -1.30 0.00 0.00 177.93 177.51 1xfk h HIS 185 N 0.52 0.16 -0.09 5.26 3.86 -0.87 -0.24 115.15 123.75 1xfk h HIS 185 Ca 0.14 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1xfk h HIS 185 Cb -0.05 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 1xfk h HIS 185 CO -0.05 0.03 -0.02 0.35 0.86 0.00 0.00 177.93 179.11 1xfk h PHE 186 N 0.23 -0.04 -0.36 2.45 3.57 -0.85 -2.88 116.94 119.05 1xfk h PHE 186 Ca 0.19 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1xfk h PHE 186 Cb 0.22 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1xfk h PHE 186 CO -0.19 -0.04 0.12 0.00 -2.23 0.00 0.00 178.31 175.98 1xfk h GLN 188 N 0.27 -0.14 0.00 0.00 1.08 -0.86 -0.48 115.11 114.99 1xfk h GLN 188 Ca 0.17 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1xfk h GLN 188 Cb 0.14 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1xfk h GLN 188 CO -0.17 -0.09 -0.00 1.96 -0.95 0.00 0.00 178.83 179.57 1xfk h GLN 189 N -0.14 0.00 0.00 1.46 4.20 -1.32 -2.56 115.11 116.75 1xfk h GLN 189 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1xfk h GLN 189 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1xfk h GLN 189 CO -0.56 0.00 -0.88 1.04 -0.67 0.00 0.00 178.83 177.76 1xfk n GLN 190 N -3.10 0.32 -1.20 1.46 1.13 -0.64 -4.94 117.38 110.41 1xfk n GLN 190 Ca 0.00 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1xfk n GLN 190 Cb 0.30 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 29.00 1xfk n GLN 190 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xfk n GLY 191 N 1.34 0.56 3.94 1.08 0.00 -0.31 -5.06 105.19 106.73 1xfk n GLY 191 Ca 0.02 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 1xfk n GLY 191 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xfk s TRP 192 N -2.00 3.45 0.34 1.61 0.51 -0.46 -5.03 118.94 117.36 1xfk s TRP 192 Ca 0.00 0.09 -0.25 0.00 -2.12 0.00 0.00 56.10 53.81 1xfk s TRP 192 Cb 0.00 -1.64 -0.10 0.00 -0.81 0.00 0.00 33.47 30.92 1xfk s TRP 192 CO 0.00 0.51 0.97 -0.51 -0.51 0.00 0.00 176.95 177.40 1xfk s ASP 193 N -3.34 7.21 -0.66 2.95 1.01 -1.26 -4.23 116.67 118.34 1xfk s ASP 193 Ca 0.34 1.86 -0.11 0.00 0.71 0.00 0.00 52.55 55.36 1xfk s ASP 193 Cb -0.11 -2.58 0.17 0.00 1.01 0.00 0.00 42.92 41.42 1xfk s ASP 193 CO 0.28 -0.16 0.56 0.12 0.21 0.00 0.00 175.17 176.18 1xfk s PHE 194 N -1.67 3.53 -0.66 4.23 5.36 -1.26 -4.72 117.98 122.78 1xfk s PHE 194 Ca 0.52 -1.98 -0.15 0.00 -0.96 0.00 0.00 56.93 54.36 1xfk s PHE 194 Cb -0.19 -3.63 0.16 0.00 -0.34 0.00 0.00 43.02 39.03 1xfk s PHE 194 CO 0.24 -0.97 0.63 -1.58 -1.46 0.00 0.00 175.22 172.08 1xfk s HIS 195 N 0.65 3.44 -0.08 10.12 5.65 -1.26 -4.94 115.29 128.87 1xfk s HIS 195 Ca 0.12 -1.55 0.03 0.00 0.25 0.00 0.00 55.06 53.91 1xfk s HIS 195 Cb -0.19 -3.83 0.00 0.00 -1.18 0.00 0.00 32.58 27.38 1xfk s HIS 195 CO -0.04 -1.03 -0.19 -0.47 -0.65 0.00 0.00 174.74 172.36 1xfk s TYR 196 N 1.10 2.12 -0.12 3.88 5.04 -1.26 -0.49 117.35 127.62 1xfk s TYR 196 Ca 0.10 -0.84 0.03 0.00 -2.44 0.00 0.00 57.07 53.92 1xfk s TYR 196 Cb -0.21 -1.45 0.01 0.00 0.35 0.00 0.00 41.96 40.65 1xfk s TYR 196 CO -0.02 -0.36 -0.21 0.00 -1.34 0.00 0.00 175.55 173.63 1xfk s ALA 197 N 0.44 2.12 -0.31 3.97 0.00 0.35 -1.99 121.76 126.35 1xfk s ALA 197 Ca -0.17 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1xfk s ALA 197 Cb -0.17 -0.92 0.07 0.00 0.00 0.00 0.00 23.12 22.10 1xfk s ALA 197 CO 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 175.76 175.85 1xfk s LEU 199 N 1.09 3.78 0.00 0.00 1.43 0.66 -2.16 118.68 123.48 1xfk s LEU 199 Ca -0.01 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1xfk s LEU 199 Cb -0.20 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1xfk s LEU 199 CO -0.05 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1xfk n GLY 200 N 3.56 0.81 3.76 -3.19 0.00 1.00 -2.11 105.19 109.01 1xfk n GLY 200 Ca -0.17 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1xfk n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfk s VAL 201 N -2.00 2.55 -0.27 1.61 0.11 -1.03 -3.93 120.40 117.44 1xfk s VAL 201 Ca 0.00 0.50 -0.14 0.00 -2.93 0.00 0.00 61.98 59.42 1xfk s VAL 201 Cb 0.00 -3.32 -0.04 0.00 -1.53 0.00 0.00 36.38 31.49 1xfk s VAL 201 CO 0.00 0.10 0.32 -0.55 -3.33 0.00 0.00 175.10 171.64 1xfk s SER 202 N 0.01 6.20 0.41 3.54 0.15 -0.33 -0.79 113.70 122.90 1xfk s SER 202 Ca 0.55 0.22 0.29 0.00 0.70 0.00 0.00 55.95 57.71 1xfk s SER 202 Cb -0.42 -2.18 1.26 0.00 -1.71 0.00 0.00 66.02 62.97 1xfk s SER 202 CO 0.50 -0.13 1.87 -0.09 1.20 0.00 0.00 173.24 176.59 1xfk h ARG 203 N 8.14 0.00 0.00 5.44 2.43 -1.88 -1.25 114.38 127.26 1xfk h ARG 203 Ca -0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1xfk h ARG 203 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1xfk h ARG 203 CO 0.62 0.00 -0.33 0.00 -1.51 0.00 0.00 179.97 178.75 1xfk h ALA 204 N 2.12 0.81 -0.01 2.80 0.00 -1.95 -3.30 119.26 119.73 1xfk h ALA 204 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xfk h ALA 204 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xfk h ALA 204 CO 0.00 0.00 -0.68 0.43 0.00 0.00 0.00 179.25 179.00 1xfk n SER 205 N -2.50 1.45 -4.01 0.00 7.64 -0.51 -4.90 113.62 110.80 1xfk n SER 205 Ca 0.04 -1.23 -0.27 0.00 1.01 0.00 0.00 58.87 58.42 1xfk n SER 205 Cb 0.48 0.73 -0.17 0.00 -1.01 0.00 0.00 64.21 64.24 1xfk n SER 205 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xfk s ASN 206 N -2.59 2.26 0.87 6.43 0.01 -0.97 -4.97 114.94 115.98 1xfk s ASN 206 Ca 0.12 -0.38 -0.12 0.00 -0.71 0.00 0.00 52.86 51.78 1xfk s ASN 206 Cb 0.16 -0.98 0.11 0.00 0.41 0.00 0.00 41.25 40.95 1xfk s ASN 206 CO 0.67 -0.02 1.09 0.42 -1.51 0.00 0.00 177.10 177.75 1xfk s THR 207 N 1.15 2.77 0.42 1.60 -4.23 -1.26 -4.81 115.64 111.27 1xfk s THR 207 Ca -0.04 0.25 0.19 0.00 -1.18 0.00 0.00 61.69 60.91 1xfk s THR 207 Cb -0.14 -2.82 0.39 0.00 1.34 0.00 0.00 72.50 71.27 1xfk s THR 207 CO -0.03 -0.33 1.83 -0.65 -0.54 0.00 0.00 174.62 174.90 1xfk h PRO 208 N -1.40 0.36 -0.54 3.99 0.11 -2.00 -1.64 132.00 130.88 1xfk h PRO 208 Ca -0.49 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.65 1xfk h PRO 208 Cb 1.28 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1xfk h PRO 208 CO 0.56 0.24 0.28 0.00 -0.21 0.00 0.00 178.00 178.87 1xfk h ALA 209 N 1.60 0.69 -0.37 -0.75 0.00 -1.99 -0.78 119.26 117.66 1xfk h ALA 209 Ca 0.51 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.33 1xfk h ALA 209 Cb 1.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1xfk h ALA 209 CO -0.20 -0.06 -0.22 -0.07 0.00 0.00 0.00 179.25 178.70 1xfk h LEU 210 N 0.54 0.74 -0.59 0.00 3.38 -1.65 -1.38 115.31 116.35 1xfk h LEU 210 Ca 0.24 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1xfk h LEU 210 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1xfk h LEU 210 CO -0.16 0.94 -0.21 -0.26 0.09 0.00 0.00 178.44 178.84 1xfk h PHE 211 N 0.64 1.02 -0.59 1.13 0.04 -1.37 -1.05 116.94 116.75 1xfk h PHE 211 Ca 0.09 -0.24 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 1xfk h PHE 211 Cb 0.72 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 1xfk h PHE 211 CO 0.04 1.02 0.31 0.93 -0.60 0.00 0.00 178.31 180.00 1xfk h GLU 212 N 0.78 0.84 -0.56 1.51 5.08 -0.89 -1.04 114.58 120.31 1xfk h GLU 212 Ca 0.11 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1xfk h GLU 212 Cb 0.76 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1xfk h GLU 212 CO 0.06 0.66 0.25 -0.09 -1.00 0.00 0.00 179.01 178.89 1xfk h ARG 213 N 0.81 0.82 -0.33 2.33 9.65 -1.10 -0.60 114.38 125.95 1xfk h ARG 213 Ca 0.21 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1xfk h ARG 213 Cb 0.08 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 1xfk h ARG 213 CO -0.03 0.69 0.18 0.00 2.80 0.00 0.00 179.97 183.60 1xfk h ALA 214 N 1.09 0.43 -0.48 2.80 0.00 -0.82 -1.22 119.26 121.06 1xfk h ALA 214 Ca 0.19 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1xfk h ALA 214 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xfk h ALA 214 CO -0.02 -0.04 0.04 -0.44 0.00 0.00 0.00 179.25 178.79 1xfk h ASP 215 N 0.41 0.79 -0.82 0.00 3.32 -1.08 -0.54 116.42 118.50 1xfk h ASP 215 Ca 0.12 -0.28 0.07 0.00 0.02 0.00 0.00 57.03 56.95 1xfk h ASP 215 Cb 0.07 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.35 1xfk h ASP 215 CO -0.02 0.88 0.49 0.50 -1.72 0.00 0.00 179.24 179.37 1xfk h LYS 216 N 0.67 0.85 -0.05 3.56 3.64 -0.84 -1.49 116.57 122.92 1xfk h LYS 216 Ca 0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1xfk h LYS 216 Cb 0.45 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1xfk h LYS 216 CO 0.02 0.56 0.00 1.28 -2.27 0.00 0.00 179.45 179.04 1xfk n LEU 217 N -4.68 0.71 -1.31 5.20 4.77 -0.48 -4.92 117.00 116.28 1xfk n LEU 217 Ca 0.12 -0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 55.72 1xfk n LEU 217 Cb 0.20 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1xfk n LEU 217 CO 0.30 0.14 -0.09 0.61 -1.33 0.00 0.00 177.39 177.01 1xfk n GLY 218 N 0.99 -0.01 3.75 -0.72 0.00 -0.56 -4.96 105.19 103.67 1xfk n GLY 218 Ca 0.17 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1xfk n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfk s VAL 219 N -2.62 3.69 -0.28 1.61 1.01 -0.26 -4.82 120.40 118.73 1xfk s VAL 219 Ca 0.05 1.56 -0.15 0.00 0.00 0.00 0.00 61.98 63.44 1xfk s VAL 219 Cb -0.02 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1xfk s VAL 219 CO 0.06 0.32 0.38 0.86 0.00 0.00 0.00 175.10 176.71 1xfk s TRP 220 N -0.66 3.24 0.04 5.22 -0.00 -0.84 -4.76 118.94 121.18 1xfk s TRP 220 Ca 0.47 0.37 0.03 0.00 -0.00 0.00 0.00 56.10 56.97 1xfk s TRP 220 Cb -0.31 -2.59 -0.02 0.00 -0.00 0.00 0.00 33.47 30.55 1xfk s TRP 220 CO 0.38 -0.26 -0.09 1.52 -0.00 0.00 0.00 176.95 178.50 1xfk s TYR 221 N 2.08 0.78 -0.17 5.86 -0.85 -1.26 -1.15 117.35 122.64 1xfk s TYR 221 Ca 0.15 -0.43 0.01 0.00 -0.52 0.00 0.00 57.07 56.28 1xfk s TYR 221 Cb -0.16 -0.46 0.02 0.00 0.38 0.00 0.00 41.96 41.74 1xfk s TYR 221 CO 0.10 -0.04 -0.17 0.08 -1.52 0.00 0.00 175.55 174.00 1xfk s VAL 222 N -1.16 1.82 0.58 -3.49 1.01 -0.92 -4.99 120.40 113.25 1xfk s VAL 222 Ca -0.06 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1xfk s VAL 222 Cb -0.09 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1xfk s VAL 222 CO 0.01 0.49 1.11 -1.61 0.00 0.00 0.00 175.10 175.10 1xfk s GLU 223 N 1.39 3.22 0.23 2.72 2.02 -1.26 -0.00 118.70 127.01 1xfk s GLU 223 Ca 0.05 1.49 -0.10 0.00 0.02 0.00 0.00 54.97 56.43 1xfk s GLU 223 Cb -0.13 -2.00 0.34 0.00 0.10 0.00 0.00 34.13 32.44 1xfk s GLU 223 CO -0.12 -0.93 1.64 0.38 0.02 0.00 0.00 175.26 176.24 1xfk h ASP 224 N 0.82 -0.43 0.38 -0.19 3.04 -1.08 0.93 116.42 119.88 1xfk h ASP 224 Ca -0.49 0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.49 1xfk h ASP 224 Cb 1.25 0.35 0.00 0.00 -1.04 0.00 0.00 39.33 39.89 1xfk h ASP 224 CO 0.56 -0.18 0.00 2.29 -2.04 0.00 0.00 179.24 179.87 1xfk n LYS 225 N -5.37 0.11 0.08 4.15 2.85 -1.26 -2.46 118.16 116.26 1xfk n LYS 225 Ca 0.11 0.46 0.13 0.00 -1.05 0.00 0.00 58.31 57.95 1xfk n LYS 225 Cb 0.40 -1.76 0.39 0.00 -0.65 0.00 0.00 35.03 33.41 1xfk n LYS 225 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xfk n ALA 226 N -1.68 2.41 -2.68 0.58 0.00 0.32 -4.80 120.51 114.67 1xfk n ALA 226 Ca 0.01 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1xfk n ALA 226 Cb 0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 1xfk n ALA 226 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xfk s PHE 227 N -3.10 3.46 -0.00 0.00 0.08 -1.03 -4.75 117.98 112.64 1xfk s PHE 227 Ca 0.10 1.42 -0.29 0.00 0.12 0.00 0.00 56.93 58.29 1xfk s PHE 227 Cb 0.13 -3.11 0.10 0.00 -0.57 0.00 0.00 43.02 39.57 1xfk s PHE 227 CO 0.61 -0.25 0.87 -1.54 -0.10 0.00 0.00 175.22 174.81 1xfk s SER 228 N 1.13 -0.38 0.47 1.36 1.04 -1.26 -5.01 113.70 111.05 1xfk s SER 228 Ca 0.43 0.03 0.19 0.00 0.48 0.00 0.00 55.95 57.09 1xfk s SER 228 Cb -0.17 0.39 1.20 0.00 0.10 0.00 0.00 66.02 67.54 1xfk s SER 228 CO 0.14 -0.63 1.97 -0.65 0.98 0.00 0.00 173.24 175.05 1xfk h PRO 229 N 2.04 0.22 0.00 4.02 0.11 -1.98 -1.94 132.00 134.48 1xfk h PRO 229 Ca -0.23 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.73 1xfk h PRO 229 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1xfk h PRO 229 CO 0.31 0.15 -0.65 -0.07 -0.21 0.00 0.00 178.00 177.53 1xfk h LEU 230 N 0.23 0.00 -0.94 2.35 3.38 -1.96 -3.24 115.31 115.12 1xfk h LEU 230 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1xfk h LEU 230 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1xfk h LEU 230 CO -0.06 0.65 -0.23 -1.54 0.09 0.00 0.00 178.44 177.35 1xfk n SER 231 N -3.61 1.69 -0.22 -0.43 3.41 -0.76 -4.41 113.62 109.30 1xfk n SER 231 Ca -0.00 -1.35 0.02 0.00 -0.26 0.00 0.00 58.87 57.27 1xfk n SER 231 Cb 0.68 0.19 0.13 0.00 -0.26 0.00 0.00 64.21 64.95 1xfk n SER 231 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xfk h LEU 232 N 2.30 0.17 -0.65 1.04 5.85 -1.51 -1.18 115.31 121.33 1xfk h LEU 232 Ca 0.00 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1xfk h LEU 232 Cb 0.65 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 1xfk h LEU 232 CO 0.00 0.09 0.35 0.50 -0.34 0.00 0.00 178.44 179.03 1xfk h LYS 233 N 0.37 0.63 0.11 1.25 1.63 -1.83 0.85 116.57 119.59 1xfk h LYS 233 Ca 0.35 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.10 1xfk h LYS 233 Cb 0.49 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1xfk h LYS 233 CO -0.37 0.41 -0.05 -0.44 -3.45 0.00 0.00 179.45 175.55 1xfk h ASP 234 N 0.65 -0.13 0.35 4.20 3.32 -1.56 -2.88 116.42 120.37 1xfk h ASP 234 Ca 0.29 -0.20 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 1xfk h ASP 234 Cb 0.19 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1xfk h ASP 234 CO -0.19 0.13 -0.69 0.45 -1.72 0.00 0.00 179.24 177.22 1xfk h HIS 235 N -0.39 0.40 -0.14 4.55 3.86 -1.10 -2.33 115.15 120.00 1xfk h HIS 235 Ca -0.02 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 58.92 1xfk h HIS 235 Cb 0.32 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1xfk h HIS 235 CO 0.01 0.89 -0.36 -0.07 0.86 0.00 0.00 177.93 179.26 1xfk h LEU 236 N 0.21 0.31 -0.52 2.43 3.38 -0.91 0.96 115.31 121.17 1xfk h LEU 236 Ca -0.02 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1xfk h LEU 236 Cb 1.24 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1xfk h LEU 236 CO 0.11 0.65 -0.30 0.74 0.09 0.00 0.00 178.44 179.73 1xfk h THR 237 N 0.26 1.27 -0.56 0.22 2.02 -1.41 0.20 112.91 114.90 1xfk h THR 237 Ca 0.03 -1.46 -0.06 0.00 0.77 0.00 0.00 66.41 65.69 1xfk h THR 237 Cb 0.76 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1xfk h THR 237 CO 0.06 0.49 0.13 1.56 0.37 0.00 0.00 175.52 178.13 1xfk h GLN 238 N 0.75 0.90 -0.61 6.66 1.08 -1.01 -1.49 115.11 121.37 1xfk h GLN 238 Ca 0.08 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1xfk h GLN 238 Cb 0.86 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.15 1xfk h GLN 238 CO 0.08 0.84 0.30 1.25 -0.95 0.00 0.00 178.83 180.35 1xfk h LEU 239 N 0.80 0.80 -0.38 1.46 5.85 -0.50 -0.96 115.31 122.37 1xfk h LEU 239 Ca 0.18 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1xfk h LEU 239 Cb 0.35 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1xfk h LEU 239 CO 0.00 0.70 0.21 -0.61 -0.34 0.00 0.00 178.44 178.40 1xfk h GLN 240 N 0.84 0.41 -0.31 1.25 5.75 -0.26 -0.37 115.11 122.43 1xfk h GLN 240 Ca 0.21 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.61 1xfk h GLN 240 Cb 0.11 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1xfk h GLN 240 CO -0.03 0.27 -0.14 0.45 -2.65 0.00 0.00 178.83 176.74 1xfk h HIS 241 N 0.42 0.57 -0.13 3.99 3.86 -0.99 0.17 115.15 123.04 1xfk h HIS 241 Ca 0.15 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1xfk h HIS 241 Cb 0.03 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1xfk h HIS 241 CO -0.08 0.65 0.06 0.35 0.86 0.00 0.00 177.93 179.77 1xfk h PHE 242 N 0.49 0.18 -0.88 2.45 3.57 -0.57 -2.60 116.94 119.58 1xfk h PHE 242 Ca 0.09 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1xfk h PHE 242 Cb 0.52 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1xfk h PHE 242 CO 0.02 0.22 0.46 0.82 -2.23 0.00 0.00 178.31 177.59 1xfk h ILE 243 N 0.09 1.26 -0.57 1.41 2.04 -0.60 -2.57 117.51 118.57 1xfk h ILE 243 Ca 0.04 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.29 1xfk h ILE 243 Cb 0.10 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 1xfk h ILE 243 CO -0.01 0.30 0.38 0.44 0.00 0.00 0.00 178.15 179.26 1xfk h ASP 244 N 1.24 0.43 -0.19 1.72 3.32 -0.39 -2.78 116.42 119.78 1xfk h ASP 244 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1xfk h ASP 244 Cb 0.07 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1xfk h ASP 244 CO -0.04 0.28 0.00 0.47 -1.72 0.00 0.00 179.24 178.22 1xfk n ASP 245 N -4.47 2.40 -4.03 6.45 8.00 -0.97 -4.88 116.55 119.05 1xfk n ASP 245 Ca 0.08 -2.27 -0.09 0.00 0.71 0.00 0.00 54.79 53.22 1xfk n ASP 245 Cb 0.27 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.77 1xfk n ASP 245 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xfk n ASP 247 N -0.11 1.21 -4.16 0.00 8.00 0.69 -4.98 116.55 117.19 1xfk n ASP 247 Ca -0.08 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.24 1xfk n ASP 247 Cb 0.63 1.47 -0.12 0.00 -0.02 0.00 0.00 41.12 43.08 1xfk n ASP 247 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1xfk s TYR 248 N -2.90 1.15 -0.00 1.24 2.02 -0.61 -4.67 117.35 113.58 1xfk s TYR 248 Ca -0.07 -0.47 0.07 0.00 -0.37 0.00 0.00 57.07 56.24 1xfk s TYR 248 Cb 0.09 -0.65 -0.02 0.00 -0.40 0.00 0.00 41.96 40.98 1xfk s TYR 248 CO 0.67 0.04 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.95 1xfk s LEU 249 N -1.72 2.07 -0.23 -1.29 1.43 -0.37 0.11 118.68 118.67 1xfk s LEU 249 Ca -0.03 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1xfk s LEU 249 Cb -0.10 -1.16 0.06 0.00 0.03 0.00 0.00 46.19 45.02 1xfk s LEU 249 CO 0.02 0.26 -0.05 -0.47 0.23 0.00 0.00 176.35 176.34 1xfk s TYR 250 N -0.59 2.31 -0.24 0.29 5.04 0.11 -2.04 117.35 122.23 1xfk s TYR 250 Ca 0.09 -1.68 -0.14 0.00 -2.44 0.00 0.00 57.07 52.89 1xfk s TYR 250 Cb -0.09 -1.55 -0.04 0.00 0.35 0.00 0.00 41.96 40.63 1xfk s TYR 250 CO -0.00 -0.76 0.33 -1.17 -1.34 0.00 0.00 175.55 172.61 1xfk s LEU 251 N 1.42 4.10 -0.09 6.97 2.96 -0.93 -1.32 118.68 131.79 1xfk s LEU 251 Ca -0.05 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1xfk s LEU 251 Cb -0.19 -2.38 0.02 0.00 0.50 0.00 0.00 46.19 44.14 1xfk s LEU 251 CO -0.06 -0.09 -0.11 0.28 -1.32 0.00 0.00 176.35 175.05 1xfk s THR 252 N 1.55 1.18 -0.18 3.68 -1.32 -0.25 -1.60 115.64 118.69 1xfk s THR 252 Ca 0.15 -0.45 -0.01 0.00 -1.21 0.00 0.00 61.69 60.17 1xfk s THR 252 Cb -0.15 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 1xfk s THR 252 CO 0.08 0.38 -0.13 -0.63 -2.21 0.00 0.00 174.62 172.10 1xfk s ILE 253 N 1.08 2.68 -0.32 5.08 1.01 -0.59 -1.65 121.20 128.48 1xfk s ILE 253 Ca -0.06 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 1xfk s ILE 253 Cb -0.14 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1xfk s ILE 253 CO -0.02 0.50 0.32 -0.62 0.00 0.00 0.00 174.94 175.12 1xfk s ASP 254 N 1.18 6.15 0.41 3.58 -1.08 0.48 0.15 116.67 127.54 1xfk s ASP 254 Ca 0.02 -0.16 0.25 0.00 -0.52 0.00 0.00 52.55 52.13 1xfk s ASP 254 Cb -0.14 -2.18 1.35 0.00 -1.46 0.00 0.00 42.92 40.49 1xfk s ASP 254 CO -0.06 -0.26 1.74 -0.07 0.52 0.00 0.00 175.17 177.05 1xfk h LEU 255 N 8.63 0.00 0.00 -1.34 3.38 -1.46 -0.78 115.31 123.74 1xfk h LEU 255 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1xfk h LEU 255 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1xfk h LEU 255 CO 0.66 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.29 1xfk n ASP 256 N -2.41 0.00 0.18 -0.43 5.68 -1.26 -2.62 116.55 115.68 1xfk n ASP 256 Ca -0.02 -1.01 0.09 0.00 -0.50 0.00 0.00 54.79 53.35 1xfk n ASP 256 Cb 0.12 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.20 1xfk n ASP 256 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 1xfk h VAL 257 N 0.00 0.26 -3.70 2.12 3.04 -1.41 -3.38 116.25 113.19 1xfk h VAL 257 Ca 0.00 -1.38 -0.50 0.00 -1.01 0.00 0.00 66.70 63.81 1xfk h VAL 257 Cb 0.00 2.07 -0.02 0.00 -2.01 0.00 0.00 31.29 31.33 1xfk h VAL 257 CO 0.00 0.15 0.09 -0.36 -1.01 0.00 0.00 177.57 176.44 1xfk s PHE 258 N -3.14 3.40 0.43 3.17 0.08 -1.08 -1.26 117.98 119.57 1xfk s PHE 258 Ca 0.05 1.16 -0.24 0.00 0.12 0.00 0.00 56.93 58.02 1xfk s PHE 258 Cb 0.06 -2.50 -0.11 0.00 -0.57 0.00 0.00 43.02 39.91 1xfk s PHE 258 CO 0.71 0.06 0.89 -2.30 -0.10 0.00 0.00 175.22 174.48 1xfk n PRO 259 N -0.55 1.12 -0.14 0.24 -0.02 -1.26 -3.95 135.00 130.44 1xfk n PRO 259 Ca 0.03 0.40 0.21 0.00 -2.02 0.00 0.00 63.50 62.13 1xfk n PRO 259 Cb 0.53 -1.91 0.62 0.00 -0.02 0.00 0.00 33.50 32.72 1xfk n PRO 259 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xfk h ALA 260 N 1.29 2.44 -0.72 3.55 0.00 -1.58 -0.30 119.26 123.95 1xfk h ALA 260 Ca -0.43 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1xfk h ALA 260 Cb 1.35 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1xfk h ALA 260 CO 0.55 -0.67 0.22 0.00 0.00 0.00 0.00 179.25 179.35 1xfk h ALA 261 N 1.63 0.94 0.14 0.00 0.00 -1.88 -1.89 119.26 118.20 1xfk h ALA 261 Ca 0.38 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 1xfk h ALA 261 Cb 1.21 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1xfk h ALA 261 CO -0.07 0.63 -1.25 0.77 0.00 0.00 0.00 179.25 179.33 1xfk h SER 262 N 1.06 0.55 -2.26 0.00 0.02 -1.42 -3.39 113.55 108.11 1xfk h SER 262 Ca 0.23 -0.56 -0.59 0.00 -0.84 0.00 0.00 61.79 60.03 1xfk h SER 262 Cb 0.31 -0.18 -0.41 0.00 0.14 0.00 0.00 62.40 62.27 1xfk h SER 262 CO -0.01 1.42 -0.78 0.00 -1.14 0.00 0.00 176.83 176.32 1xfk n ALA 263 N -2.58 3.38 0.15 3.77 0.00 -0.67 -4.51 120.51 120.06 1xfk n ALA 263 Ca -0.10 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.16 1xfk n ALA 263 Cb 1.01 -0.88 0.22 0.00 0.00 0.00 0.00 19.45 19.81 1xfk n ALA 263 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xfk h PRO 264 N 4.39 0.00 -3.93 0.00 0.13 -1.55 -3.38 132.00 127.65 1xfk h PRO 264 Ca 0.16 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.57 1xfk h PRO 264 Cb 0.76 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.84 1xfk h PRO 264 CO 0.67 0.55 3.00 0.41 -0.23 0.00 0.00 178.00 182.40 1xfk n GLY 265 N 0.17 4.47 3.37 1.56 0.00 -1.20 -4.56 105.19 108.99 1xfk n GLY 265 Ca -0.01 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 1xfk n GLY 265 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xfk s VAL 266 N 2.84 0.04 0.13 1.61 -7.23 -1.26 0.91 120.40 117.44 1xfk s VAL 266 Ca 0.46 -1.50 -0.16 0.00 -1.81 0.00 0.00 61.98 58.97 1xfk s VAL 266 Cb 0.13 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 1xfk s VAL 266 CO -0.08 -0.19 1.65 -1.28 -0.31 0.00 0.00 175.10 174.89 1xfk h SER 267 N 2.50 0.54 -3.44 4.85 0.87 -1.79 -3.38 113.55 113.70 1xfk h SER 267 Ca -0.31 -0.19 -0.62 0.00 -1.23 0.00 0.00 61.79 59.44 1xfk h SER 267 Cb 1.24 -0.14 -0.41 0.00 -0.44 0.00 0.00 62.40 62.65 1xfk h SER 267 CO 0.46 0.59 -0.70 0.00 -0.53 0.00 0.00 176.83 176.66 1xfk s ALA 268 N -5.45 2.80 0.12 6.23 0.00 -1.26 -4.53 121.76 119.66 1xfk s ALA 268 Ca -0.13 -3.09 -0.33 0.00 0.00 0.00 0.00 51.96 48.41 1xfk s ALA 268 Cb 0.10 -1.99 -0.13 0.00 0.00 0.00 0.00 23.12 21.10 1xfk s ALA 268 CO 0.75 -2.05 1.69 -2.30 0.00 0.00 0.00 175.76 173.85 1xfk n PRO 269 N 2.90 2.33 -1.66 0.00 -0.02 -1.26 -4.82 135.00 132.48 1xfk n PRO 269 Ca 0.14 0.85 -0.43 0.00 -2.02 0.00 0.00 63.50 62.03 1xfk n PRO 269 Cb 0.36 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 1xfk n PRO 269 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xfk n ALA 270 N 4.40 1.49 0.24 3.55 0.00 -1.25 -4.77 120.51 124.17 1xfk n ALA 270 Ca 0.18 0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.89 1xfk n ALA 270 Cb 0.31 -2.68 0.62 0.00 0.00 0.00 0.00 19.45 17.70 1xfk n ALA 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xfk h ALA 271 N 10.85 1.45 -0.20 0.00 0.00 -1.91 -1.79 119.26 127.66 1xfk h ALA 271 Ca -0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1xfk h ALA 271 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xfk h ALA 271 CO 0.94 0.20 0.00 -2.13 0.00 0.00 0.00 179.25 178.26 1xfk n ARG 272 N -3.93 0.00 -0.66 0.00 3.00 -1.26 -4.89 116.66 108.91 1xfk n ARG 272 Ca -0.02 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.92 1xfk n ARG 272 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.68 1xfk n ARG 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xfk n GLY 273 N 3.25 -1.98 2.99 5.14 0.00 -1.26 -4.25 105.19 109.08 1xfk n GLY 273 Ca 0.00 -1.34 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 1xfk n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfk s VAL 274 N -2.16 1.35 0.58 1.61 1.01 -0.39 -4.70 120.40 117.71 1xfk s VAL 274 Ca 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1xfk s VAL 274 Cb 0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 1xfk s VAL 274 CO 0.00 0.42 0.94 -1.54 0.00 0.00 0.00 175.10 174.92 1xfk n SER 275 N 4.70 0.69 -0.35 3.32 3.41 -1.26 -4.27 113.62 119.87 1xfk n SER 275 Ca -0.16 0.82 0.08 0.00 -0.26 0.00 0.00 58.87 59.35 1xfk n SER 275 Cb 0.50 -1.37 0.26 0.00 -0.26 0.00 0.00 64.21 63.34 1xfk n SER 275 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xfk h LEU 276 N 0.57 0.89 -1.00 1.04 5.85 -1.98 -0.44 115.31 120.23 1xfk h LEU 276 Ca -0.48 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.19 1xfk h LEU 276 Cb 1.36 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1xfk h LEU 276 CO 0.51 0.47 -0.33 -0.33 -0.34 0.00 0.00 178.44 178.42 1xfk h GLU 277 N 0.95 0.30 0.00 1.25 5.08 -2.00 0.12 114.58 120.28 1xfk h GLU 277 Ca 0.49 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.58 1xfk h GLU 277 Cb 0.52 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1xfk h GLU 277 CO -0.26 0.61 -0.68 0.00 -1.00 0.00 0.00 179.01 177.68 1xfk h ALA 278 N 1.39 0.86 0.00 3.43 0.00 -1.47 -3.19 119.26 120.29 1xfk h ALA 278 Ca 0.03 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 1xfk h ALA 278 Cb 0.72 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1xfk h ALA 278 CO 0.05 0.85 -0.98 -0.07 0.00 0.00 0.00 179.25 179.11 1xfk h LEU 279 N 0.00 0.00 -0.82 0.00 3.38 -0.88 -3.39 115.31 113.60 1xfk h LEU 279 Ca -0.01 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1xfk h LEU 279 Cb 1.22 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.81 1xfk h LEU 279 CO 0.09 0.48 -0.21 0.00 0.09 0.00 0.00 178.44 178.89 1xfk h ALA 280 N 1.52 0.53 -1.00 1.53 0.00 -0.75 0.63 119.26 121.71 1xfk h ALA 280 Ca -0.08 0.32 0.13 0.00 0.00 0.00 0.00 54.91 55.28 1xfk h ALA 280 Cb 1.44 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 19.77 1xfk h ALA 280 CO 0.05 -0.41 0.63 -1.35 0.00 0.00 0.00 179.25 178.17 1xfk h PRO 281 N -0.00 0.94 -0.18 0.00 0.11 -1.76 0.15 132.00 131.25 1xfk h PRO 281 Ca 0.39 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.37 1xfk h PRO 281 Cb 0.60 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1xfk h PRO 281 CO -0.84 0.62 -0.16 1.88 -0.21 0.00 0.00 178.00 179.29 1xfk h TYR 282 N 0.96 0.51 -0.18 0.65 0.05 -1.19 -2.05 116.97 115.73 1xfk h TYR 282 Ca 0.51 -0.15 0.01 0.00 0.05 0.00 0.00 58.73 59.15 1xfk h TYR 282 Cb 0.55 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 1xfk h TYR 282 CO -0.00 0.79 0.08 0.74 -1.05 0.00 0.00 178.16 178.71 1xfk h PHE 283 N 0.09 0.15 -0.94 4.88 0.04 -0.63 -1.91 116.94 118.62 1xfk h PHE 283 Ca 0.03 0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.92 1xfk h PHE 283 Cb 0.69 -0.04 -0.08 0.00 2.20 0.00 0.00 35.95 38.72 1xfk h PHE 283 CO 0.08 0.08 0.58 -0.44 -0.60 0.00 0.00 178.31 178.01 1xfk h ASP 284 N 0.18 0.84 -0.39 2.17 3.32 -0.69 0.60 116.42 122.45 1xfk h ASP 284 Ca 0.07 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1xfk h ASP 284 Cb 0.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1xfk h ASP 284 CO -0.06 0.46 0.02 -0.09 -1.72 0.00 0.00 179.24 177.85 1xfk h ARG 285 N 0.93 0.67 -0.25 3.56 9.65 -0.97 -2.30 114.38 125.69 1xfk h ARG 285 Ca 0.46 -0.21 -0.04 0.00 -1.10 0.00 0.00 59.98 59.10 1xfk h ARG 285 Cb 0.44 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1xfk h ARG 285 CO -0.26 0.76 0.00 0.82 2.80 0.00 0.00 179.97 184.09 1xfk h ILE 286 N 0.50 1.25 0.00 1.20 2.04 -0.61 -2.95 117.51 118.94 1xfk h ILE 286 Ca 0.11 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1xfk h ILE 286 Cb 0.44 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1xfk h ILE 286 CO 0.02 0.28 0.00 0.18 0.00 0.00 0.00 178.15 178.63 1xfk n LEU 287 N -4.64 0.39 0.10 1.44 4.77 0.14 -1.87 117.00 117.33 1xfk n LEU 287 Ca -0.04 0.60 -0.02 0.00 -0.03 0.00 0.00 56.01 56.53 1xfk n LEU 287 Cb 0.24 -0.55 0.23 0.00 -2.33 0.00 0.00 43.42 41.00 1xfk n LEU 287 CO 0.38 -0.45 0.64 -0.74 -1.33 0.00 0.00 177.39 175.88 1xfk h HIS 288 N 0.00 0.26 -0.53 -1.77 2.76 -1.23 -3.18 115.15 111.46 1xfk h HIS 288 Ca 0.00 -0.07 -0.52 0.00 -2.20 0.00 0.00 60.37 57.58 1xfk h HIS 288 Cb 0.30 -0.06 -0.08 0.00 1.55 0.00 0.00 27.41 29.12 1xfk h HIS 288 CO 0.00 0.61 1.56 0.66 -1.30 0.00 0.00 177.93 179.46 1xfk n TYR 289 N -4.02 1.62 0.28 5.26 4.01 -0.78 -4.58 117.16 118.94 1xfk n TYR 289 Ca -0.02 -2.33 0.16 0.00 -0.16 0.00 0.00 57.90 55.55 1xfk n TYR 289 Cb 0.48 -1.84 0.79 0.00 -0.31 0.00 0.00 39.34 38.46 1xfk n TYR 289 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1xfk h LYS 290 N 3.90 0.00 -0.11 -0.72 2.10 -1.77 -1.20 116.57 118.77 1xfk h LYS 290 Ca 0.54 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.12 1xfk h LYS 290 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1xfk h LYS 290 CO 1.08 0.00 -0.22 -2.95 -2.00 0.00 0.00 179.45 175.36 1xfk h ASN 291 N 0.00 0.38 1.46 7.07 -1.07 -1.92 -3.30 115.58 118.20 1xfk h ASN 291 Ca 0.00 -0.56 -0.09 0.00 0.07 0.00 0.00 56.30 55.71 1xfk h ASN 291 Cb 0.14 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 36.26 1xfk h ASN 291 CO 0.00 0.87 -0.56 0.11 0.07 0.00 0.00 177.43 177.93 1xfk h LYS 292 N -0.09 0.00 -6.13 4.14 1.57 -1.60 -3.45 116.57 111.01 1xfk h LYS 292 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.23 1xfk h LYS 292 Cb 0.81 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1xfk h LYS 292 CO 0.05 0.39 1.35 -1.17 -0.57 0.00 0.00 179.45 179.49 1xfk s LEU 293 N -6.30 3.45 -0.12 2.94 2.96 -0.54 -1.24 118.68 119.83 1xfk s LEU 293 Ca 0.03 1.21 0.03 0.00 -0.22 0.00 0.00 54.13 55.19 1xfk s LEU 293 Cb 0.07 -3.27 -0.24 0.00 0.50 0.00 0.00 46.19 43.26 1xfk s LEU 293 CO 0.74 -1.95 0.35 0.23 -1.32 0.00 0.00 176.35 174.41 1xfk n MET 294 N 8.64 0.70 -3.66 1.98 2.81 -0.87 -4.94 117.12 121.79 1xfk n MET 294 Ca 0.25 0.23 -0.08 0.00 -1.81 0.00 0.00 57.70 56.29 1xfk n MET 294 Cb 0.48 -1.69 -0.02 0.00 -0.71 0.00 0.00 33.22 31.28 1xfk n MET 294 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 1xfk s ILE 295 N -2.56 0.00 0.14 2.02 2.07 -1.24 -3.20 121.20 118.43 1xfk s ILE 295 Ca -0.17 -0.49 -0.24 0.00 -1.41 0.00 0.00 60.65 58.35 1xfk s ILE 295 Cb 0.07 -1.55 0.07 0.00 0.13 0.00 0.00 42.46 41.18 1xfk s ILE 295 CO 0.77 0.00 0.61 0.00 -1.91 0.00 0.00 174.94 174.41 1xfk s ALA 296 N -3.63 -1.61 0.05 1.50 0.00 -0.74 -2.19 121.76 115.14 1xfk s ALA 296 Ca 0.07 0.56 -0.08 0.00 0.00 0.00 0.00 51.96 52.51 1xfk s ALA 296 Cb -0.03 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 1xfk s ALA 296 CO -0.02 -0.74 0.17 0.16 0.00 0.00 0.00 175.76 175.32 1xfk s ASP 297 N -2.64 0.09 -0.20 0.00 1.47 -0.63 -0.03 116.67 114.74 1xfk s ASP 297 Ca 0.00 -0.46 0.01 0.00 1.18 0.00 0.00 52.55 53.29 1xfk s ASP 297 Cb -0.01 0.28 0.03 0.00 -0.34 0.00 0.00 42.92 42.88 1xfk s ASP 297 CO -0.11 -0.57 -0.18 -0.63 0.68 0.00 0.00 175.17 174.36 1xfk s ILE 298 N -2.77 2.08 0.32 2.11 -1.09 -0.60 -1.55 121.20 119.70 1xfk s ILE 298 Ca -0.03 -1.10 0.09 0.00 -2.23 0.00 0.00 60.65 57.37 1xfk s ILE 298 Cb -0.00 -1.95 -0.05 0.00 -1.58 0.00 0.00 42.46 38.88 1xfk s ILE 298 CO -0.05 0.40 0.06 0.00 -1.23 0.00 0.00 174.94 174.12 1xfk s ALA 299 N 1.25 3.30 0.00 9.38 0.00 0.12 -2.38 121.76 133.43 1xfk s ALA 299 Ca 0.02 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1xfk s ALA 299 Cb -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1xfk s ALA 299 CO -0.11 0.11 0.00 0.39 0.00 0.00 0.00 175.76 176.15 1xfk n GLU 300 N -1.01 -0.58 -1.95 0.00 -0.58 0.72 -1.27 120.64 115.97 1xfk n GLU 300 Ca -0.04 0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.42 1xfk n GLU 300 Cb 0.61 -3.63 -0.03 0.00 -0.57 0.00 0.00 31.44 27.82 1xfk n GLU 300 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1xfk s TYR 301 N -1.90 1.85 -0.37 -0.32 5.04 -1.26 -4.15 117.35 116.22 1xfk s TYR 301 Ca 0.00 0.13 -0.01 0.00 -2.44 0.00 0.00 57.07 54.75 1xfk s TYR 301 Cb 0.00 -3.98 0.10 0.00 0.35 0.00 0.00 41.96 38.43 1xfk s TYR 301 CO 0.00 -4.05 0.13 1.21 -1.34 0.00 0.00 175.55 171.51 1xfk s ASN 302 N 3.80 5.09 0.55 4.32 3.84 0.26 -4.10 114.94 128.70 1xfk s ASN 302 Ca 0.77 -1.90 0.26 0.00 0.21 0.00 0.00 52.86 52.20 1xfk s ASN 302 Cb -0.34 -1.77 1.45 0.00 -0.55 0.00 0.00 41.25 40.04 1xfk s ASN 302 CO 0.32 -0.46 2.01 -0.65 -2.79 0.00 0.00 177.10 175.53 1xfk h PRO 303 N 7.96 0.00 -0.02 0.43 0.11 -1.79 -2.30 132.00 136.39 1xfk h PRO 303 Ca -0.13 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.98 1xfk h PRO 303 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1xfk h PRO 303 CO 0.63 0.00 0.04 0.77 -0.21 0.00 0.00 178.00 179.24 1xfk h SER 304 N 0.00 0.00 0.00 -2.05 0.02 -1.91 -2.40 113.55 107.21 1xfk h SER 304 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1xfk h SER 304 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1xfk h SER 304 CO -0.00 0.00 -0.00 0.49 -1.14 0.00 0.00 176.83 176.18 1xfk n PHE 305 N -3.36 0.00 -1.84 3.45 3.72 -0.87 -5.05 117.46 113.51 1xfk n PHE 305 Ca -0.02 -0.60 -0.31 0.00 -0.05 0.00 0.00 57.45 56.47 1xfk n PHE 305 Cb 0.12 -0.07 0.02 0.00 -0.94 0.00 0.00 39.48 38.61 1xfk n PHE 305 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1xfk s ASP 306 N -1.38 5.85 -0.20 4.37 2.15 -0.91 -3.21 116.67 123.35 1xfk s ASP 306 Ca 0.07 1.59 0.01 0.00 0.43 0.00 0.00 52.55 54.65 1xfk s ASP 306 Cb 0.06 -2.50 0.03 0.00 -0.30 0.00 0.00 42.92 40.21 1xfk s ASP 306 CO 0.01 -1.12 -0.16 -0.63 -0.17 0.00 0.00 175.17 173.09 1xfk s ILE 307 N -2.93 1.99 -1.74 4.11 1.01 -1.26 -4.73 121.20 117.65 1xfk s ILE 307 Ca 0.58 -1.09 -0.19 0.00 0.00 0.00 0.00 60.65 59.96 1xfk s ILE 307 Cb -0.13 -1.91 0.17 0.00 0.01 0.00 0.00 42.46 40.60 1xfk s ILE 307 CO 0.49 0.35 0.70 -0.67 0.00 0.00 0.00 174.94 175.81 1xfk n ASP 308 N 4.60 -2.67 -1.82 3.58 2.03 -1.26 -0.55 116.55 120.46 1xfk n ASP 308 Ca -0.18 -1.08 -0.20 0.00 0.52 0.00 0.00 54.79 53.84 1xfk n ASP 308 Cb 0.48 -2.43 -0.07 0.00 -0.72 0.00 0.00 41.12 38.38 1xfk n ASP 308 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xfk n GLN 309 N -4.31 -1.52 0.07 -0.67 1.13 -1.26 -4.91 117.38 105.91 1xfk n GLN 309 Ca 0.06 1.14 -0.11 0.00 -1.94 0.00 0.00 57.00 56.15 1xfk n GLN 309 Cb 0.49 -5.60 -0.05 0.00 0.11 0.00 0.00 30.24 25.20 1xfk n GLN 309 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1xfk h HIS 310 N 0.00 -0.61 -0.83 1.08 3.86 -1.19 -2.00 115.15 115.46 1xfk h HIS 310 Ca -0.44 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 58.76 1xfk h HIS 310 Cb 1.34 0.27 -0.04 0.00 1.06 0.00 0.00 27.41 30.04 1xfk h HIS 310 CO 0.57 -0.32 0.38 1.15 0.86 0.00 0.00 177.93 180.57 1xfk h THR 311 N -0.37 1.26 -0.28 2.45 2.02 -1.81 -1.47 112.91 114.71 1xfk h THR 311 Ca 0.06 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.51 1xfk h THR 311 Cb 0.44 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1xfk h THR 311 CO -0.20 0.32 0.07 0.00 0.37 0.00 0.00 175.52 176.08 1xfk h ALA 312 N 1.20 0.30 -0.28 6.16 0.00 -1.88 0.46 119.26 125.23 1xfk h ALA 312 Ca 0.28 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1xfk h ALA 312 Cb 0.15 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xfk h ALA 312 CO -0.03 -0.35 -0.25 0.00 0.00 0.00 0.00 179.25 178.62 1xfk h ARG 313 N 0.17 0.53 -0.43 0.00 3.08 -1.12 -0.83 114.38 115.79 1xfk h ARG 313 Ca 0.13 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1xfk h ARG 313 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1xfk h ARG 313 CO -0.16 0.74 0.14 1.25 -1.07 0.00 0.00 179.97 180.87 1xfk h LEU 314 N 0.47 0.61 -1.01 3.04 5.85 -0.75 -0.75 115.31 122.77 1xfk h LEU 314 Ca 0.07 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 1xfk h LEU 314 Cb 0.69 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1xfk h LEU 314 CO 0.05 0.64 0.16 0.00 -0.34 0.00 0.00 178.44 178.96 1xfk h ALA 315 N 0.99 1.21 -0.52 1.25 0.00 -0.62 -2.25 119.26 119.32 1xfk h ALA 315 Ca 0.14 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1xfk h ALA 315 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xfk h ALA 315 CO -0.01 0.55 -0.14 0.00 0.00 0.00 0.00 179.25 179.66 1xfk h ALA 316 N 1.33 0.76 -0.59 0.00 0.00 -0.75 -0.81 119.26 119.20 1xfk h ALA 316 Ca 0.19 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1xfk h ALA 316 Cb 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1xfk h ALA 316 CO -0.01 0.67 0.19 -0.09 0.00 0.00 0.00 179.25 180.02 1xfk h ARG 317 N 0.89 0.92 -0.54 0.00 9.65 -0.87 0.30 114.38 124.73 1xfk h ARG 317 Ca 0.13 -0.20 -0.08 0.00 -1.10 0.00 0.00 59.98 58.73 1xfk h ARG 317 Cb 0.71 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 1xfk h ARG 317 CO 0.05 0.82 0.01 -0.07 2.80 0.00 0.00 179.97 183.58 1xfk h LEU 318 N 0.84 0.93 -0.67 3.80 3.38 -1.27 0.32 115.31 122.66 1xfk h LEU 318 Ca 0.19 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1xfk h LEU 318 Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1xfk h LEU 318 CO -0.01 1.01 0.40 0.00 0.09 0.00 0.00 178.44 179.93 1xfk h TRP 320 N 0.91 0.84 -0.61 0.00 7.01 -0.62 0.32 115.95 123.79 1xfk h TRP 320 Ca 0.24 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.22 1xfk h TRP 320 Cb -0.03 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.74 1xfk h TRP 320 CO -0.02 0.63 0.39 -0.44 -2.79 0.00 0.00 178.44 176.22 1xfk h ASP 321 N 0.80 0.66 -0.31 2.65 3.32 -0.49 -0.60 116.42 122.45 1xfk h ASP 321 Ca 0.20 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 1xfk h ASP 321 Cb 0.10 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1xfk h ASP 321 CO -0.03 0.47 -0.12 0.40 -1.72 0.00 0.00 179.24 178.24 1xfk h ILE 322 N 0.79 1.29 -0.87 0.35 2.04 -1.09 -2.90 117.51 117.11 1xfk h ILE 322 Ca 0.23 -1.20 0.03 0.00 1.00 0.00 0.00 64.86 64.92 1xfk h ILE 322 Cb -0.04 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1xfk h ILE 322 CO -0.07 0.39 0.56 0.00 0.00 0.00 0.00 178.15 179.03 1xfk h ALA 323 N 0.77 1.13 -0.76 1.87 0.00 -0.66 -1.27 119.26 120.35 1xfk h ALA 323 Ca 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1xfk h ALA 323 Cb 0.63 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1xfk h ALA 323 CO 0.04 0.43 0.47 -0.91 0.00 0.00 0.00 179.25 179.28 1xfk h ASN 324 N 1.11 0.74 -0.27 0.00 2.35 -1.02 0.52 115.58 119.02 1xfk h ASN 324 Ca 0.34 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 1xfk h ASN 324 Cb -0.03 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1xfk h ASN 324 CO -0.11 0.49 0.11 0.00 -1.65 0.00 0.00 177.43 176.27 1xfk h ALA 325 N 1.35 0.35 -0.75 -0.83 0.00 -1.17 0.32 119.26 118.54 1xfk h ALA 325 Ca 0.32 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1xfk h ALA 325 Cb 0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1xfk h ALA 325 CO -0.15 -0.06 0.30 0.52 0.00 0.00 0.00 179.25 179.87 1xfk h MET 326 N 0.28 1.12 -0.47 0.00 2.86 -0.70 -1.75 114.93 116.27 1xfk h MET 326 Ca 0.09 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 1xfk h MET 326 Cb 0.18 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1xfk h MET 326 CO -0.01 0.91 -0.01 0.00 1.06 0.00 0.00 176.91 178.87 1xfk h ALA 327 N 1.15 1.11 -0.10 6.32 0.00 0.31 -2.03 119.26 126.02 1xfk h ALA 327 Ca 0.25 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1xfk h ALA 327 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xfk h ALA 327 CO -0.02 0.57 -0.41 0.93 0.00 0.00 0.00 179.25 180.32 1xfk h GLU 328 N 0.73 0.21 -0.40 0.00 5.08 -0.58 -2.57 114.58 117.06 1xfk h GLU 328 Ca 0.14 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1xfk h GLU 328 Cb 0.45 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1xfk h GLU 328 CO 0.02 0.59 -0.01 0.37 -1.00 0.00 0.00 179.01 178.98 1xfk h GLN 329 N 0.18 0.71 -0.22 2.33 5.75 -0.71 0.81 115.11 123.96 1xfk h GLN 329 Ca 0.02 -0.23 0.05 0.00 -0.15 0.00 0.00 58.65 58.33 1xfk h GLN 329 Cb 0.81 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.25 1xfk h GLN 329 CO 0.06 0.81 -0.07 0.28 -2.65 0.00 0.00 178.83 177.27 1xfk h VAL 330 N 0.54 0.76 0.00 2.39 2.07 -1.16 -1.59 116.25 119.25 1xfk h VAL 330 Ca 0.11 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.55 1xfk h VAL 330 Cb 0.50 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1xfk h VAL 330 CO 0.02 0.00 -0.40 1.56 0.02 0.00 0.00 177.57 178.78 1xfk h GLN 331 N -0.02 0.00 -0.67 1.57 4.20 -1.32 -2.89 115.11 115.97 1xfk h GLN 331 Ca 0.11 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.85 1xfk h GLN 331 Cb 0.18 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1xfk h GLN 331 CO -0.24 0.40 0.42 1.03 -0.67 0.00 0.00 178.83 179.77 1xfk h SER 332 N 0.00 0.68 -0.02 1.46 0.87 0.15 -3.51 113.55 113.17 1xfk h SER 332 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xfk h SER 332 Cb 0.72 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1xfk h SER 332 CO 0.05 0.47 0.00 2.30 -0.53 0.00 0.00 176.83 179.12