#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xua s HIS 2 N 0.00 3.01 0.42 2.03 4.02 -0.99 -4.92 115.29 118.87 1xua s HIS 2 Ca 0.00 -0.13 -0.23 0.00 1.02 0.00 0.00 55.06 55.72 1xua s HIS 2 Cb 0.00 -1.85 -0.08 0.00 -1.02 0.00 0.00 32.58 29.62 1xua s HIS 2 CO 0.00 0.15 1.08 -0.80 1.02 0.00 0.00 174.74 176.19 1xua s ASN 3 N -0.20 6.56 0.05 1.40 0.01 -1.26 -0.86 114.94 120.64 1xua s ASN 3 Ca 0.03 2.09 -0.01 0.00 -0.71 0.00 0.00 52.86 54.27 1xua s ASN 3 Cb -0.13 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 1xua s ASN 3 CO 0.02 -0.64 -0.03 -0.72 -1.51 0.00 0.00 177.10 174.23 1xua s TYR 4 N -1.67 0.52 -0.03 2.20 -0.85 -0.11 -1.75 117.35 115.67 1xua s TYR 4 Ca 0.60 -1.06 0.05 0.00 -0.52 0.00 0.00 57.07 56.14 1xua s TYR 4 Cb -0.23 -0.39 -0.01 0.00 0.38 0.00 0.00 41.96 41.71 1xua s TYR 4 CO 0.28 -0.38 -0.18 0.08 -1.52 0.00 0.00 175.55 173.83 1xua s VAL 5 N -3.92 1.45 -0.37 -3.49 1.01 -0.74 -1.63 120.40 112.72 1xua s VAL 5 Ca 0.07 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 1xua s VAL 5 Cb 0.08 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 1xua s VAL 5 CO -0.10 0.41 0.40 -0.63 0.00 0.00 0.00 175.10 175.18 1xua s ILE 6 N -0.23 5.13 -0.16 2.22 1.01 -0.33 -1.15 121.20 127.68 1xua s ILE 6 Ca 0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 1xua s ILE 6 Cb -0.09 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1xua s ILE 6 CO 0.01 -0.21 0.07 -0.63 0.00 0.00 0.00 174.94 174.18 1xua s ILE 7 N 2.09 4.91 -0.59 2.92 -1.09 -0.68 -0.23 121.20 128.53 1xua s ILE 7 Ca 0.13 0.00 -0.22 0.00 -2.23 0.00 0.00 60.65 58.33 1xua s ILE 7 Cb -0.17 -3.19 0.06 0.00 -1.58 0.00 0.00 42.46 37.59 1xua s ILE 7 CO 0.12 0.50 0.87 -1.81 -1.23 0.00 0.00 174.94 173.39 1xua s ASP 8 N 0.03 6.23 0.28 3.58 1.01 0.64 -1.08 116.67 127.36 1xua s ASP 8 Ca 0.06 -0.83 -0.18 0.00 0.71 0.00 0.00 52.55 52.31 1xua s ASP 8 Cb -0.12 -2.39 -0.09 0.00 1.01 0.00 0.00 42.92 41.33 1xua s ASP 8 CO 0.01 -1.24 0.76 0.00 0.21 0.00 0.00 175.17 174.90 1xua s ALA 9 N 3.63 3.34 -1.28 5.23 0.00 -0.59 -1.90 121.76 130.18 1xua s ALA 9 Ca 0.22 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 1xua s ALA 9 Cb -0.17 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1xua s ALA 9 CO 0.13 0.31 1.11 1.19 0.00 0.00 0.00 175.76 178.49 1xua n PHE 10 N 0.16 -2.62 -3.75 0.00 3.72 0.76 -1.39 117.46 114.34 1xua n PHE 10 Ca 0.01 0.97 -0.11 0.00 -0.05 0.00 0.00 57.45 58.27 1xua n PHE 10 Cb 0.52 -4.98 -0.07 0.00 -0.94 0.00 0.00 39.48 34.02 1xua n PHE 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xua s ALA 11 N -3.32 -0.66 -0.53 4.37 0.00 -0.87 -1.93 121.76 118.81 1xua s ALA 11 Ca 0.40 -0.09 0.12 0.00 0.00 0.00 0.00 51.96 52.39 1xua s ALA 11 Cb -0.18 0.41 -0.13 0.00 0.00 0.00 0.00 23.12 23.22 1xua s ALA 11 CO 0.71 -0.47 0.49 -1.13 0.00 0.00 0.00 175.76 175.36 1xua n SER 12 N 0.35 0.59 -3.91 0.00 3.41 -1.26 -2.46 113.62 110.34 1xua n SER 12 Ca -0.18 -0.75 -0.14 0.00 -0.26 0.00 0.00 58.87 57.54 1xua n SER 12 Cb 0.61 1.01 -0.14 0.00 -0.26 0.00 0.00 64.21 65.43 1xua n SER 12 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xua s VAL 13 N -2.12 0.21 0.72 -3.33 0.11 -1.26 -4.89 120.40 109.85 1xua s VAL 13 Ca 0.04 -0.10 -0.16 0.00 -2.93 0.00 0.00 61.98 58.83 1xua s VAL 13 Cb 0.09 -0.19 0.01 0.00 -1.53 0.00 0.00 36.38 34.76 1xua s VAL 13 CO 0.48 0.06 1.04 -2.65 -3.33 0.00 0.00 175.10 170.70 1xua n PRO 14 N 3.07 0.55 -0.53 1.54 -0.02 -1.26 -2.77 135.00 135.59 1xua n PRO 14 Ca -0.13 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1xua n PRO 14 Cb 0.59 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1xua n PRO 14 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xua n LEU 15 N -1.89 0.14 -4.96 2.45 4.77 -1.26 -5.02 117.00 111.23 1xua n LEU 15 Ca 0.13 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.89 1xua n LEU 15 Cb 0.49 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1xua n LEU 15 CO 0.48 -0.07 0.17 -1.61 -1.33 0.00 0.00 177.39 175.03 1xua s GLU 16 N -0.14 2.34 2.74 3.23 2.02 -1.11 -4.82 118.70 122.95 1xua s GLU 16 Ca 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 54.97 53.22 1xua s GLU 16 Cb 0.00 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1xua s GLU 16 CO 0.00 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.05 1xua n GLY 17 N -1.93 0.16 3.04 -1.39 0.00 -0.44 -4.70 105.19 99.92 1xua n GLY 17 Ca 0.06 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1xua n GLY 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xua s ASN 18 N -4.00 3.27 0.41 1.61 2.47 -0.48 -4.74 114.94 113.47 1xua s ASN 18 Ca 0.00 -0.79 -0.25 0.00 0.42 0.00 0.00 52.86 52.24 1xua s ASN 18 Cb 0.00 -1.31 -0.08 0.00 -1.45 0.00 0.00 41.25 38.41 1xua s ASN 18 CO 0.00 -0.10 1.24 -2.84 -3.72 0.00 0.00 177.10 171.69 1xua s PRO 19 N 1.37 3.98 -0.01 0.43 0.02 -1.26 -1.55 135.00 137.97 1xua s PRO 19 Ca 0.01 2.01 0.02 0.00 0.02 0.00 0.00 61.00 63.06 1xua s PRO 19 Cb -0.15 -2.70 -0.00 0.00 0.02 0.00 0.00 34.50 31.66 1xua s PRO 19 CO -0.10 -0.44 -0.07 0.54 -0.33 0.00 0.00 177.00 176.60 1xua s VAL 20 N -1.33 0.60 -0.21 3.83 0.11 -0.24 -4.47 120.40 118.69 1xua s VAL 20 Ca 0.57 -0.31 -0.16 0.00 -2.93 0.00 0.00 61.98 59.16 1xua s VAL 20 Cb -0.35 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1xua s VAL 20 CO 0.44 0.18 0.42 0.00 -3.33 0.00 0.00 175.10 172.81 1xua s ALA 21 N -0.06 3.56 -0.27 1.54 0.00 -1.23 -1.68 121.76 123.61 1xua s ALA 21 Ca 0.01 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 1xua s ALA 21 Cb -0.04 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.42 1xua s ALA 21 CO -0.00 -0.37 -0.01 0.08 0.00 0.00 0.00 175.76 175.46 1xua s VAL 22 N 1.47 3.25 -0.21 0.00 1.01 -0.30 -1.08 120.40 124.54 1xua s VAL 22 Ca 0.20 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1xua s VAL 22 Cb -0.15 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1xua s VAL 22 CO 0.08 0.12 0.23 -0.36 0.00 0.00 0.00 175.10 175.18 1xua s PHE 23 N 1.37 3.37 0.32 5.22 0.08 0.04 -1.79 117.98 126.60 1xua s PHE 23 Ca 0.00 0.39 -0.05 0.00 0.12 0.00 0.00 56.93 57.40 1xua s PHE 23 Cb -0.17 -2.32 -0.05 0.00 -0.57 0.00 0.00 43.02 39.91 1xua s PHE 23 CO -0.02 0.12 0.59 -0.06 -0.10 0.00 0.00 175.22 175.75 1xua s PHE 24 N 0.90 3.48 -1.37 0.36 0.08 -0.72 -0.78 117.98 119.94 1xua s PHE 24 Ca 0.12 0.67 -0.02 0.00 0.12 0.00 0.00 56.93 57.81 1xua s PHE 24 Cb -0.13 -2.13 -0.00 0.00 -0.57 0.00 0.00 43.02 40.18 1xua s PHE 24 CO 0.04 0.11 0.49 -0.25 -0.10 0.00 0.00 175.22 175.51 1xua n ASP 25 N -1.14 -0.88 -0.72 1.36 8.00 -1.23 -4.53 116.55 117.40 1xua n ASP 25 Ca -0.01 -0.98 0.06 0.00 0.71 0.00 0.00 54.79 54.56 1xua n ASP 25 Cb 0.54 -3.21 0.18 0.00 -0.02 0.00 0.00 41.12 38.61 1xua n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xua n ALA 26 N -4.37 2.44 0.33 2.24 0.00 -0.87 -4.46 120.51 115.83 1xua n ALA 26 Ca -0.29 -0.69 0.21 0.00 0.00 0.00 0.00 53.44 52.67 1xua n ALA 26 Cb 0.68 -0.97 1.13 0.00 0.00 0.00 0.00 19.45 20.29 1xua n ALA 26 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xua h ASP 27 N 2.30 0.00 0.30 0.00 3.32 -1.90 -1.21 116.42 119.22 1xua h ASP 27 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xua h ASP 27 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1xua h ASP 27 CO 0.00 0.00 -0.35 -0.90 -1.72 0.00 0.00 179.24 176.27 1xua n ASP 28 N -3.09 0.91 -4.67 6.45 5.75 -1.26 -4.86 116.55 115.78 1xua n ASP 28 Ca -0.03 -0.73 -0.39 0.00 -0.01 0.00 0.00 54.79 53.63 1xua n ASP 28 Cb 0.14 0.20 -0.07 0.00 -1.03 0.00 0.00 41.12 40.36 1xua n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xua s LEU 29 N -2.65 4.16 0.55 -2.12 1.43 -0.46 -5.06 118.68 114.52 1xua s LEU 29 Ca 0.20 0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 53.71 1xua s LEU 29 Cb 0.19 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1xua s LEU 29 CO 0.58 -0.12 1.18 -2.84 0.23 0.00 0.00 176.35 175.38 1xua s PRO 30 N 1.43 3.28 0.44 1.29 0.02 -1.26 -4.82 135.00 135.37 1xua s PRO 30 Ca 0.22 1.76 0.15 0.00 0.02 0.00 0.00 61.00 63.15 1xua s PRO 30 Cb -0.15 -2.07 1.06 0.00 0.02 0.00 0.00 34.50 33.36 1xua s PRO 30 CO 0.09 -0.94 1.98 -1.00 -0.33 0.00 0.00 177.00 176.80 1xua h PRO 31 N 1.27 0.36 -0.60 5.54 0.13 -1.98 -0.87 132.00 135.85 1xua h PRO 31 Ca -0.50 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 1xua h PRO 31 Cb 1.28 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1xua h PRO 31 CO 0.57 0.24 0.20 0.00 -0.23 0.00 0.00 178.00 178.78 1xua h ALA 32 N 1.71 1.24 -0.44 -0.56 0.00 -2.00 -1.76 119.26 117.44 1xua h ALA 32 Ca 0.27 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1xua h ALA 32 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xua h ALA 32 CO -0.07 0.55 -0.28 0.37 0.00 0.00 0.00 179.25 179.81 1xua h GLN 33 N 0.87 0.97 -0.89 0.00 5.75 -1.55 -2.42 115.11 117.83 1xua h GLN 33 Ca 0.20 -0.45 0.06 0.00 -0.15 0.00 0.00 58.65 58.31 1xua h GLN 33 Cb 0.23 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.70 1xua h GLN 33 CO -0.01 1.11 0.56 0.52 -2.65 0.00 0.00 178.83 178.37 1xua h MET 34 N 0.82 1.01 -0.57 1.69 2.86 -1.02 -0.50 114.93 119.22 1xua h MET 34 Ca 0.09 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 1xua h MET 34 Cb 0.87 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1xua h MET 34 CO 0.08 0.67 0.02 0.37 1.06 0.00 0.00 176.91 179.11 1xua h GLN 35 N 1.05 0.96 -0.59 1.72 5.75 -1.26 -0.92 115.11 121.82 1xua h GLN 35 Ca 0.38 -0.28 -0.09 0.00 -0.15 0.00 0.00 58.65 58.51 1xua h GLN 35 Cb 0.13 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1xua h GLN 35 CO -0.16 0.94 0.01 0.00 -2.65 0.00 0.00 178.83 176.97 1xua h ARG 36 N 0.89 1.02 -0.50 1.69 3.08 -0.88 -2.21 114.38 117.46 1xua h ARG 36 Ca 0.17 -0.31 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 1xua h ARG 36 Cb 0.50 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1xua h ARG 36 CO 0.02 0.99 -0.12 0.82 -1.07 0.00 0.00 179.97 180.62 1xua h ILE 37 N 0.93 1.27 -0.76 2.04 2.04 -0.89 -1.05 117.51 121.08 1xua h ILE 37 Ca 0.17 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1xua h ILE 37 Cb 0.52 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1xua h ILE 37 CO 0.03 0.44 0.48 0.00 0.00 0.00 0.00 178.15 179.09 1xua h ALA 38 N 1.02 0.97 -0.35 1.87 0.00 -0.98 -1.20 119.26 120.58 1xua h ALA 38 Ca 0.13 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1xua h ALA 38 Cb 0.66 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xua h ALA 38 CO 0.05 0.41 -0.16 -0.09 0.00 0.00 0.00 179.25 179.45 1xua h ARG 39 N 1.03 0.64 -0.46 0.00 9.65 -1.15 -1.54 114.38 122.55 1xua h ARG 39 Ca 0.28 -0.22 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 1xua h ARG 39 Cb -0.08 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.42 1xua h ARG 39 CO -0.06 0.78 0.27 1.49 2.80 0.00 0.00 179.97 185.25 1xua h GLU 40 N 0.58 0.52 -0.06 0.20 4.57 -0.52 -2.85 114.58 117.02 1xua h GLU 40 Ca 0.10 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.10 1xua h GLU 40 Cb 0.61 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1xua h GLU 40 CO 0.04 0.35 -0.59 0.52 -1.18 0.00 0.00 179.01 178.15 1xua h MET 41 N 0.54 0.20 -1.79 1.92 2.86 -1.06 -3.47 114.93 114.13 1xua h MET 41 Ca 0.18 -0.13 -0.40 0.00 -2.06 0.00 0.00 59.70 57.29 1xua h MET 41 Cb 0.02 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.59 1xua h MET 41 CO -0.09 0.73 -0.42 -1.71 1.06 0.00 0.00 176.91 176.48 1xua n ASN 42 N -3.88 -5.35 -4.94 1.22 5.15 -0.60 -5.00 115.26 101.86 1xua n ASN 42 Ca -0.02 0.32 -0.24 0.00 -0.60 0.00 0.00 54.58 54.03 1xua n ASN 42 Cb 0.60 -4.65 0.05 0.00 -0.53 0.00 0.00 39.78 35.25 1xua n ASN 42 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1xua s LEU 43 N -5.10 3.09 0.35 1.20 1.43 -1.26 -4.96 118.68 113.44 1xua s LEU 43 Ca 0.00 0.36 0.09 0.00 -1.03 0.00 0.00 54.13 53.55 1xua s LEU 43 Cb 0.00 -3.13 0.82 0.00 0.03 0.00 0.00 46.19 43.91 1xua s LEU 43 CO 0.00 -1.29 1.85 0.28 0.23 0.00 0.00 176.35 177.42 1xua h SER 44 N -0.25 0.66 -5.01 2.29 0.02 -1.95 -3.38 113.55 105.94 1xua h SER 44 Ca -0.44 0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.46 1xua h SER 44 Cb 1.29 -0.08 -0.19 0.00 0.14 0.00 0.00 62.40 63.57 1xua h SER 44 CO 0.58 0.31 -0.21 -1.61 -1.14 0.00 0.00 176.83 174.77 1xua s GLU 45 N -5.69 0.76 0.05 3.45 8.01 -1.26 -4.24 118.70 119.78 1xua s GLU 45 Ca -0.10 -0.24 0.09 0.00 0.01 0.00 0.00 54.97 54.73 1xua s GLU 45 Cb 0.23 0.34 -0.03 0.00 -4.31 0.00 0.00 34.13 30.36 1xua s GLU 45 CO 0.79 -0.23 -0.26 -1.12 0.01 0.00 0.00 175.26 174.45 1xua s SER 46 N -1.56 3.21 0.26 -0.19 0.01 -0.54 -3.56 113.70 111.33 1xua s SER 46 Ca -0.10 -0.60 0.11 0.00 1.31 0.00 0.00 55.95 56.67 1xua s SER 46 Cb -0.03 -0.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.85 1xua s SER 46 CO 0.02 0.25 -0.19 0.42 0.41 0.00 0.00 173.24 174.15 1xua s THR 47 N -0.83 2.34 -0.09 1.44 -4.23 -0.24 -1.43 115.64 112.59 1xua s THR 47 Ca 0.12 -2.36 0.01 0.00 -1.18 0.00 0.00 61.69 58.28 1xua s THR 47 Cb -0.10 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 71.51 1xua s THR 47 CO 0.03 -0.43 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.23 1xua s PHE 48 N -2.57 1.38 -0.25 3.99 0.08 -0.37 -0.78 117.98 119.45 1xua s PHE 48 Ca 0.28 -0.59 -0.15 0.00 0.12 0.00 0.00 56.93 56.59 1xua s PHE 48 Cb -0.04 -1.10 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 1xua s PHE 48 CO 0.13 -0.38 0.38 0.08 -0.10 0.00 0.00 175.22 175.32 1xua s VAL 49 N 1.23 5.18 0.14 -0.44 1.01 0.04 -2.18 120.40 125.38 1xua s VAL 49 Ca -0.04 0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.62 1xua s VAL 49 Cb -0.14 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1xua s VAL 49 CO -0.03 0.18 -0.19 -0.76 0.00 0.00 0.00 175.10 174.31 1xua s LEU 50 N 1.87 2.39 0.35 3.92 1.43 0.20 -2.05 118.68 126.79 1xua s LEU 50 Ca 0.16 -0.80 -0.26 0.00 -1.03 0.00 0.00 54.13 52.19 1xua s LEU 50 Cb -0.15 -0.84 -0.13 0.00 0.03 0.00 0.00 46.19 45.10 1xua s LEU 50 CO 0.09 -0.01 1.01 0.29 0.23 0.00 0.00 176.35 177.96 1xua n LYS 51 N 0.57 1.38 -2.39 1.70 5.02 -1.26 -0.99 118.16 122.19 1xua n LYS 51 Ca -0.15 0.49 -0.35 0.00 -2.02 0.00 0.00 58.31 56.28 1xua n LYS 51 Cb 0.56 -1.94 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 1xua n LYS 51 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xua s PRO 52 N -1.74 3.60 0.00 1.97 0.04 -1.26 -4.08 135.00 133.52 1xua s PRO 52 Ca 0.60 1.51 0.05 0.00 0.04 0.00 0.00 61.00 63.21 1xua s PRO 52 Cb -0.63 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.81 1xua s PRO 52 CO 0.59 -0.63 0.41 0.54 0.04 0.00 0.00 177.00 177.95 1xua n ARG 53 N -1.07 3.01 -2.02 4.56 1.74 -1.26 -4.84 116.66 116.77 1xua n ARG 53 Ca 0.10 -0.35 -0.01 0.00 -0.77 0.00 0.00 57.85 56.82 1xua n ARG 53 Cb 0.51 -0.90 0.03 0.00 -1.02 0.00 0.00 32.46 31.09 1xua n ARG 53 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xua n ASN 54 N -0.52 0.11 0.00 0.55 5.15 -1.26 -5.02 115.26 114.27 1xua n ASN 54 Ca 0.02 -2.06 0.00 0.00 -0.60 0.00 0.00 54.58 51.94 1xua n ASN 54 Cb 0.11 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 1xua n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xua n GLY 55 N -0.40 1.47 2.56 8.20 0.00 -1.26 -5.05 105.19 110.71 1xua n GLY 55 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 1xua n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xua n GLY 56 N -2.00 -3.33 0.11 -0.02 0.00 -1.26 -4.98 105.19 93.71 1xua n GLY 56 Ca 0.00 -1.38 -0.00 0.00 0.00 0.00 0.00 46.02 44.64 1xua n GLY 56 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xua h ASP 57 N -2.82 0.00 -4.75 1.61 3.32 -1.33 -3.44 116.42 109.01 1xua h ASP 57 Ca -0.31 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.88 1xua h ASP 57 Cb 1.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.40 1xua h ASP 57 CO 0.19 0.61 0.52 0.00 -1.72 0.00 0.00 179.24 178.85 1xua s ALA 58 N -2.90 -1.82 -0.18 3.45 0.00 -1.24 -4.54 121.76 114.52 1xua s ALA 58 Ca 0.01 0.91 -0.05 0.00 0.00 0.00 0.00 51.96 52.83 1xua s ALA 58 Cb 0.08 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 1xua s ALA 58 CO 0.78 -0.75 0.00 -1.17 0.00 0.00 0.00 175.76 174.62 1xua s LEU 59 N -2.54 3.40 -0.20 0.00 2.96 -0.16 -0.61 118.68 121.53 1xua s LEU 59 Ca 0.07 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1xua s LEU 59 Cb -0.01 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.84 1xua s LEU 59 CO -0.07 0.13 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.35 1xua s ILE 60 N 0.60 2.77 -0.11 6.68 -1.09 -0.54 -0.63 121.20 128.88 1xua s ILE 60 Ca -0.00 -0.70 -0.12 0.00 -2.23 0.00 0.00 60.65 57.60 1xua s ILE 60 Cb -0.14 -2.22 -0.05 0.00 -1.58 0.00 0.00 42.46 38.47 1xua s ILE 60 CO 0.02 0.48 0.27 -0.13 -1.23 0.00 0.00 174.94 174.34 1xua s ARG 61 N 1.38 3.92 -0.16 2.79 0.52 -0.93 -4.59 118.95 121.89 1xua s ARG 61 Ca 0.05 0.09 0.01 0.00 -0.52 0.00 0.00 55.73 55.36 1xua s ARG 61 Cb -0.14 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 32.04 1xua s ARG 61 CO -0.08 0.52 -0.19 0.42 0.02 0.00 0.00 175.30 175.99 1xua s ILE 62 N -0.38 2.22 -0.06 1.52 1.01 -1.26 -1.24 121.20 123.01 1xua s ILE 62 Ca 0.17 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1xua s ILE 62 Cb -0.13 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.42 1xua s ILE 62 CO 0.06 0.53 -0.15 -0.36 0.00 0.00 0.00 174.94 175.02 1xua s PHE 63 N 1.05 1.68 1.00 3.97 0.08 -0.51 -0.88 117.98 124.37 1xua s PHE 63 Ca -0.01 -0.59 -0.17 0.00 0.12 0.00 0.00 56.93 56.29 1xua s PHE 63 Cb -0.14 -1.18 0.22 0.00 -0.57 0.00 0.00 43.02 41.35 1xua s PHE 63 CO -0.06 -0.26 1.34 0.95 -0.10 0.00 0.00 175.22 177.09 1xua s THR 64 N 0.40 1.99 0.62 0.64 -4.23 0.94 -1.46 115.64 114.53 1xua s THR 64 Ca -0.11 0.00 0.33 0.00 -1.18 0.00 0.00 61.69 60.73 1xua s THR 64 Cb -0.14 -2.99 0.38 0.00 1.34 0.00 0.00 72.50 71.09 1xua s THR 64 CO 0.04 0.00 2.21 -0.65 -0.54 0.00 0.00 174.62 175.68 1xua h PRO 65 N -1.77 0.00 0.00 3.99 0.11 -1.74 -3.31 132.00 129.27 1xua h PRO 65 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xua h PRO 65 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xua h PRO 65 CO 0.33 0.00 -0.70 1.33 -0.21 0.00 0.00 178.00 178.75 1xua n VAL 66 N -3.55 0.00 -3.75 3.15 0.24 -1.26 -4.17 118.33 108.99 1xua n VAL 66 Ca -0.01 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 61.97 1xua n VAL 66 Cb 0.18 0.68 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 1xua n VAL 66 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xua s ASN 67 N -1.87 -0.29 0.06 -1.34 4.22 -1.25 -5.07 114.94 109.41 1xua s ASN 67 Ca -0.00 -0.48 -0.14 0.00 -2.14 0.00 0.00 52.86 50.10 1xua s ASN 67 Cb 0.02 0.63 -0.06 0.00 1.28 0.00 0.00 41.25 43.12 1xua s ASN 67 CO 0.12 -1.14 0.45 -0.70 -2.04 0.00 0.00 177.10 173.79 1xua s GLU 68 N -3.88 3.91 0.08 3.55 2.12 -1.26 -0.04 118.70 123.17 1xua s GLU 68 Ca 0.10 0.39 0.07 0.00 0.36 0.00 0.00 54.97 55.88 1xua s GLU 68 Cb -0.02 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 1xua s GLU 68 CO -0.00 0.61 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.67 1xua s LEU 69 N -1.51 2.83 0.28 2.70 1.43 -0.05 -4.94 118.68 119.42 1xua s LEU 69 Ca 0.30 -0.42 0.25 0.00 -1.03 0.00 0.00 54.13 53.23 1xua s LEU 69 Cb -0.16 -1.66 0.57 0.00 0.03 0.00 0.00 46.19 44.98 1xua s LEU 69 CO 0.16 0.21 1.65 1.55 0.23 0.00 0.00 176.35 180.16 1xua h PRO 70 N 4.03 0.00 -1.87 1.29 0.13 -1.89 -3.38 132.00 130.32 1xua h PRO 70 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1xua h PRO 70 Cb 1.16 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.08 1xua h PRO 70 CO 0.49 0.00 0.28 0.12 -0.23 0.00 0.00 178.00 178.66 1xua s PHE 71 N -3.16 -0.60 -0.22 1.56 5.36 -1.26 -2.54 117.98 117.12 1xua s PHE 71 Ca 0.09 1.18 -0.27 0.00 -0.96 0.00 0.00 56.93 56.96 1xua s PHE 71 Cb 0.10 0.39 0.09 0.00 -0.34 0.00 0.00 43.02 43.26 1xua s PHE 71 CO 0.64 -0.47 0.85 0.00 -1.46 0.00 0.00 175.22 174.78 1xua s ALA 72 N -0.75 -1.86 -0.12 11.12 0.00 -1.26 -4.36 121.76 124.53 1xua s ALA 72 Ca -0.06 1.79 -0.15 0.00 0.00 0.00 0.00 51.96 53.54 1xua s ALA 72 Cb -0.01 -0.98 -0.14 0.00 0.00 0.00 0.00 23.12 21.99 1xua s ALA 72 CO 0.05 -0.31 0.39 0.78 0.00 0.00 0.00 175.76 176.68 1xua h GLY 73 N 4.03 0.00 1.00 0.00 0.00 -1.92 -3.23 103.07 102.95 1xua h GLY 73 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1xua h GLY 73 CO 0.17 0.00 0.39 1.12 0.00 0.00 0.00 176.54 178.22 1xua h HIS 74 N -1.00 0.85 -0.23 5.60 2.07 -1.87 0.06 115.15 120.63 1xua h HIS 74 Ca -0.01 -0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.41 1xua h HIS 74 Cb 0.54 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 30.23 1xua h HIS 74 CO 0.14 0.58 -0.30 -1.35 -3.07 0.00 0.00 177.93 173.93 1xua h PRO 75 N 0.88 0.47 -0.02 5.12 0.11 -1.93 -1.22 132.00 135.41 1xua h PRO 75 Ca 0.23 -0.20 -0.23 0.00 0.11 0.00 0.00 66.00 65.92 1xua h PRO 75 Cb -0.02 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.07 1xua h PRO 75 CO -0.04 0.73 -0.92 1.25 -0.21 0.00 0.00 178.00 178.80 1xua h LEU 76 N 0.41 0.63 0.04 2.35 5.85 -1.50 -0.66 115.31 122.43 1xua h LEU 76 Ca 0.05 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1xua h LEU 76 Cb 0.73 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1xua h LEU 76 CO 0.06 1.28 -0.27 0.25 -0.34 0.00 0.00 178.44 179.41 1xua h LEU 77 N 0.29 -0.80 -0.95 2.25 5.85 -0.85 -0.78 115.31 120.33 1xua h LEU 77 Ca -0.08 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1xua h LEU 77 Cb 1.56 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 1xua h LEU 77 CO 0.17 -0.35 0.01 1.23 -0.34 0.00 0.00 178.44 179.16 1xua h GLY 78 N -0.44 0.84 1.01 3.75 0.00 -1.14 -1.74 103.07 105.35 1xua h GLY 78 Ca 0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1xua h GLY 78 CO -0.21 0.51 0.37 -0.84 0.00 0.00 0.00 176.54 176.37 1xua h THR 79 N 0.73 1.23 -0.45 4.70 2.02 -1.01 -0.12 112.91 120.02 1xua h THR 79 Ca 0.15 -0.63 -0.13 0.00 0.77 0.00 0.00 66.41 66.57 1xua h THR 79 Cb 0.43 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1xua h THR 79 CO 0.02 0.27 -0.22 0.00 0.37 0.00 0.00 175.52 175.96 1xua h ALA 80 N 1.18 0.77 -0.44 6.16 0.00 -0.82 0.49 119.26 126.61 1xua h ALA 80 Ca 0.25 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1xua h ALA 80 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1xua h ALA 80 CO -0.03 0.66 -0.03 0.82 0.00 0.00 0.00 179.25 180.67 1xua h ILE 81 N 0.79 1.27 -0.11 0.00 2.04 -1.06 0.28 117.51 120.72 1xua h ILE 81 Ca 0.11 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1xua h ILE 81 Cb 0.77 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1xua h ILE 81 CO 0.06 0.37 0.04 0.00 0.00 0.00 0.00 178.15 178.62 1xua h ALA 82 N 0.89 0.14 0.00 1.87 0.00 -0.80 -2.98 119.26 118.38 1xua h ALA 82 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xua h ALA 82 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xua h ALA 82 CO 0.03 -0.26 0.00 1.25 0.00 0.00 0.00 179.25 180.27 1xua h LEU 83 N 0.01 0.00 -1.91 0.00 5.85 -0.89 -2.84 115.31 115.53 1xua h LEU 83 Ca 0.04 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1xua h LEU 83 Cb 0.19 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1xua h LEU 83 CO -0.00 0.00 0.24 1.23 -0.34 0.00 0.00 178.44 179.57 1xua h GLY 84 N 2.82 0.14 2.00 3.75 0.00 -0.77 -1.71 103.07 109.31 1xua h GLY 84 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1xua h GLY 84 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1xua h ALA 85 N 1.83 1.00 0.02 3.60 0.00 -1.58 -3.17 119.26 120.95 1xua h ALA 85 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 1xua h ALA 85 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1xua h ALA 85 CO -0.02 0.00 -0.95 0.45 0.00 0.00 0.00 179.25 178.73 1xua h HIS 86 N 0.00 0.16 -4.64 0.00 -0.00 -1.49 -3.47 115.15 105.70 1xua h HIS 86 Ca 0.00 -0.10 -0.48 0.00 -0.00 0.00 0.00 60.37 59.79 1xua h HIS 86 Cb 0.36 -0.01 -0.10 0.00 -0.00 0.00 0.00 27.41 27.65 1xua h HIS 86 CO 0.00 0.99 -0.39 0.25 -0.00 0.00 0.00 177.93 178.77 1xua n THR 87 N -3.53 0.00 -0.26 2.45 -2.24 -1.20 -5.06 114.28 104.45 1xua n THR 87 Ca -0.02 -1.99 0.07 0.00 -2.27 0.00 0.00 64.05 59.83 1xua n THR 87 Cb 0.87 0.66 0.19 0.00 -2.10 0.00 0.00 70.33 69.94 1xua n THR 87 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xua n ASP 88 N -1.55 3.16 -4.76 3.42 8.00 -1.26 -4.93 116.55 118.63 1xua n ASP 88 Ca -0.07 -2.07 -0.39 0.00 0.71 0.00 0.00 54.79 52.97 1xua n ASP 88 Cb 0.52 -0.29 0.02 0.00 -0.02 0.00 0.00 41.12 41.34 1xua n ASP 88 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1xua s ASN 89 N -1.05 5.85 0.00 -2.24 0.01 -1.26 -4.94 114.94 111.31 1xua s ASN 89 Ca 0.28 2.76 0.20 0.00 -0.71 0.00 0.00 52.86 55.39 1xua s ASN 89 Cb 0.16 -2.64 -0.10 0.00 0.41 0.00 0.00 41.25 39.07 1xua s ASN 89 CO 0.18 -1.18 0.94 0.00 -1.51 0.00 0.00 177.10 175.53 1xua n HIS 90 N -0.36 0.00 -4.21 2.20 1.44 -1.26 -4.85 115.22 108.18 1xua n HIS 90 Ca 0.06 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.43 1xua n HIS 90 Cb 0.44 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.41 1xua n HIS 90 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1xua s ARG 91 N -2.57 3.38 0.20 -1.40 1.81 -1.26 -0.83 118.95 118.28 1xua s ARG 91 Ca 0.13 -0.65 0.11 0.00 -1.72 0.00 0.00 55.73 53.60 1xua s ARG 91 Cb 0.16 -2.87 -0.04 0.00 -0.45 0.00 0.00 34.95 31.75 1xua s ARG 91 CO 0.66 -0.04 -0.23 -0.51 -0.68 0.00 0.00 175.30 174.50 1xua s LEU 92 N 1.04 2.48 -0.17 2.53 1.43 -0.79 -5.02 118.68 120.18 1xua s LEU 92 Ca 0.00 -0.86 -0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1xua s LEU 92 Cb -0.15 -1.20 0.04 0.00 0.03 0.00 0.00 46.19 44.92 1xua s LEU 92 CO -0.01 0.11 -0.05 -0.31 0.23 0.00 0.00 176.35 176.33 1xua s TYR 93 N -1.74 1.74 -0.22 0.29 2.02 -1.26 -1.16 117.35 117.02 1xua s TYR 93 Ca 0.22 -1.14 -0.04 0.00 -0.37 0.00 0.00 57.07 55.73 1xua s TYR 93 Cb -0.08 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 40.14 1xua s TYR 93 CO 0.11 -0.63 -0.03 -0.51 -1.57 0.00 0.00 175.55 172.92 1xua s LEU 94 N 1.62 3.01 0.34 -1.29 1.43 -0.32 -0.73 118.68 122.74 1xua s LEU 94 Ca -0.00 -0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 52.49 1xua s LEU 94 Cb -0.16 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 1xua s LEU 94 CO -0.08 -0.00 1.14 -1.61 0.23 0.00 0.00 176.35 176.03 1xua s GLU 95 N 1.39 4.34 0.28 1.70 2.02 0.22 -0.31 118.70 128.35 1xua s GLU 95 Ca 0.05 1.82 0.01 0.00 0.02 0.00 0.00 54.97 56.87 1xua s GLU 95 Cb -0.14 -2.91 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 1xua s GLU 95 CO -0.01 -0.06 0.29 0.95 0.02 0.00 0.00 175.26 176.45 1xua s THR 96 N -1.32 0.00 0.44 3.63 -4.23 -0.58 -1.47 115.64 112.12 1xua s THR 96 Ca 0.51 -1.86 0.10 0.00 -1.18 0.00 0.00 61.69 59.26 1xua s THR 96 Cb -0.31 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.30 1xua s THR 96 CO 0.40 0.00 2.07 -0.61 -0.54 0.00 0.00 174.62 175.94 1xua h GLN 97 N 2.30 0.40 -0.01 3.99 4.15 -1.80 -1.24 115.11 122.90 1xua h GLN 97 Ca -0.29 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.10 1xua h GLN 97 Cb 1.24 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1xua h GLN 97 CO 0.42 0.27 0.00 -1.33 -1.93 0.00 0.00 178.83 176.26 1xua n MET 98 N -4.49 1.06 0.00 1.69 2.81 -1.05 -5.02 117.12 112.12 1xua n MET 98 Ca 0.02 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1xua n MET 98 Cb 0.09 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1xua n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xua n GLY 99 N 0.95 -0.80 3.64 3.03 0.00 -0.47 -5.01 105.19 106.53 1xua n GLY 99 Ca 0.20 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 1xua n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xua s THR 100 N -0.55 5.01 -0.25 2.61 2.01 -1.26 -1.53 115.64 121.68 1xua s THR 100 Ca 0.00 1.13 -0.10 0.00 0.31 0.00 0.00 61.69 63.03 1xua s THR 100 Cb 0.00 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1xua s THR 100 CO 0.00 0.07 0.16 -0.63 -0.69 0.00 0.00 174.62 173.53 1xua s ILE 101 N 2.20 5.25 0.10 1.82 -1.09 0.58 -4.91 121.20 125.14 1xua s ILE 101 Ca 0.27 0.14 -0.24 0.00 -2.23 0.00 0.00 60.65 58.59 1xua s ILE 101 Cb -0.16 -3.46 -0.07 0.00 -1.58 0.00 0.00 42.46 37.20 1xua s ILE 101 CO 0.09 0.32 0.74 0.00 -1.23 0.00 0.00 174.94 174.86 1xua s ALA 102 N 1.30 3.43 0.00 9.38 0.00 -1.26 -1.18 121.76 133.43 1xua s ALA 102 Ca 0.07 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.37 1xua s ALA 102 Cb -0.14 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 1xua s ALA 102 CO 0.06 0.20 -0.18 -0.06 0.00 0.00 0.00 175.76 175.79 1xua s PHE 103 N -0.65 1.57 -0.17 0.00 0.08 -0.31 -2.28 117.98 116.22 1xua s PHE 103 Ca 0.36 -0.31 -0.01 0.00 0.12 0.00 0.00 56.93 57.09 1xua s PHE 103 Cb -0.21 -0.99 -0.00 0.00 -0.57 0.00 0.00 43.02 41.25 1xua s PHE 103 CO 0.24 0.00 -0.12 -2.00 -0.10 0.00 0.00 175.22 173.23 1xua s GLU 104 N -0.62 3.27 -0.11 0.44 2.56 -0.35 -1.89 118.70 122.00 1xua s GLU 104 Ca 0.06 -0.71 -0.13 0.00 0.00 0.00 0.00 54.97 54.19 1xua s GLU 104 Cb -0.07 -2.73 -0.05 0.00 2.00 0.00 0.00 34.13 33.28 1xua s GLU 104 CO -0.00 -0.03 0.29 -0.51 -0.56 0.00 0.00 175.26 174.45 1xua s LEU 105 N 0.97 4.33 -0.36 2.70 1.43 -0.01 -1.02 118.68 126.72 1xua s LEU 105 Ca -0.02 0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 53.51 1xua s LEU 105 Cb -0.15 -2.36 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 1xua s LEU 105 CO -0.02 0.21 0.50 -0.70 0.23 0.00 0.00 176.35 176.58 1xua s GLU 106 N -0.18 3.58 0.07 1.70 2.56 -0.07 -4.88 118.70 121.48 1xua s GLU 106 Ca 0.18 -0.22 0.08 0.00 0.00 0.00 0.00 54.97 55.01 1xua s GLU 106 Cb -0.14 -3.82 -0.03 0.00 2.00 0.00 0.00 34.13 32.14 1xua s GLU 106 CO 0.06 -0.66 -0.22 1.03 -0.56 0.00 0.00 175.26 174.91 1xua s ARG 107 N 2.36 1.37 -0.18 4.30 0.52 -1.26 -0.56 118.95 125.50 1xua s ARG 107 Ca 0.18 -1.06 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 1xua s ARG 107 Cb -0.16 -1.57 0.03 0.00 0.52 0.00 0.00 34.95 33.78 1xua s ARG 107 CO 0.13 0.39 -0.13 -1.14 0.02 0.00 0.00 175.30 174.57 1xua s GLN 108 N -1.46 2.25 -1.47 3.54 0.74 -0.32 -4.74 119.66 118.20 1xua s GLN 108 Ca 0.08 -0.74 -0.08 0.00 0.05 0.00 0.00 55.36 54.67 1xua s GLN 108 Cb -0.09 -2.32 0.03 0.00 1.10 0.00 0.00 33.01 31.73 1xua s GLN 108 CO 0.03 -0.33 0.75 -1.71 -0.55 0.00 0.00 175.29 173.48 1xua n ASN 109 N 4.70 -5.54 0.00 6.67 5.15 -1.26 -0.56 115.26 124.43 1xua n ASN 109 Ca -0.16 -0.43 0.00 0.00 -0.60 0.00 0.00 54.58 53.39 1xua n ASN 109 Cb 0.48 -4.46 0.00 0.00 -0.53 0.00 0.00 39.78 35.27 1xua n ASN 109 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xua n GLY 110 N -1.58 2.88 3.69 8.20 0.00 -1.26 -5.03 105.19 112.09 1xua n GLY 110 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1xua n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xua s SER 111 N -3.86 6.68 -0.04 1.61 0.15 0.28 -4.93 113.70 113.58 1xua s SER 111 Ca 0.00 0.81 -0.30 0.00 0.70 0.00 0.00 55.95 57.16 1xua s SER 111 Cb 0.00 -2.31 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 1xua s SER 111 CO 0.00 -0.11 1.01 -0.69 1.20 0.00 0.00 173.24 174.65 1xua s VAL 112 N 1.14 4.79 -0.12 4.45 1.01 -1.26 -1.18 120.40 129.22 1xua s VAL 112 Ca 0.27 2.02 0.09 0.00 0.00 0.00 0.00 61.98 64.36 1xua s VAL 112 Cb -0.16 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 31.79 1xua s VAL 112 CO 0.11 0.10 0.02 -0.38 0.00 0.00 0.00 175.10 174.94 1xua n ILE 113 N 4.15 0.84 -3.72 2.22 5.41 0.28 -4.99 119.36 123.55 1xua n ILE 113 Ca 0.07 -0.49 -0.06 0.00 1.00 0.00 0.00 62.75 63.27 1xua n ILE 113 Cb 0.50 -0.73 -0.02 0.00 -0.71 0.00 0.00 39.64 38.68 1xua n ILE 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xua s ALA 114 N -2.29 -1.54 0.10 -1.39 0.00 -1.19 -2.62 121.76 112.83 1xua s ALA 114 Ca -0.08 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 1xua s ALA 114 Cb 0.04 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.88 1xua s ALA 114 CO 0.48 -0.97 0.31 0.00 0.00 0.00 0.00 175.76 175.58 1xua s ALA 115 N -3.51 -0.63 -0.03 0.00 0.00 -0.60 -0.89 121.76 116.10 1xua s ALA 115 Ca 0.10 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1xua s ALA 115 Cb -0.03 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1xua s ALA 115 CO 0.01 -0.56 -0.11 0.45 0.00 0.00 0.00 175.76 175.55 1xua s SER 116 N -2.73 1.39 0.14 0.00 0.15 -0.19 -2.27 113.70 110.19 1xua s SER 116 Ca 0.03 -0.22 0.11 0.00 0.70 0.00 0.00 55.95 56.57 1xua s SER 116 Cb 0.03 -0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 1xua s SER 116 CO -0.10 0.08 -0.26 0.00 1.20 0.00 0.00 173.24 174.16 1xua s MET 117 N 0.17 1.46 -0.39 5.44 0.23 -0.17 -1.21 119.30 124.82 1xua s MET 117 Ca -0.03 -1.38 -0.16 0.00 -1.03 0.00 0.00 55.69 53.09 1xua s MET 117 Cb -0.09 -1.90 0.01 0.00 -1.53 0.00 0.00 34.83 31.32 1xua s MET 117 CO 0.01 0.44 0.38 -0.51 -2.03 0.00 0.00 175.02 173.31 1xua s ASP 118 N -2.21 6.17 0.64 -1.18 1.11 -0.96 -1.41 116.67 118.82 1xua s ASP 118 Ca 0.16 -0.57 -0.10 0.00 0.18 0.00 0.00 52.55 52.22 1xua s ASP 118 Cb -0.10 -2.20 -0.01 0.00 1.07 0.00 0.00 42.92 41.69 1xua s ASP 118 CO 0.07 -0.47 1.01 -1.10 1.18 0.00 0.00 175.17 175.87 1xua s GLN 119 N 1.99 3.19 0.44 8.23 -0.21 0.58 -4.42 119.66 129.47 1xua s GLN 119 Ca 0.10 0.46 -0.26 0.00 0.02 0.00 0.00 55.36 55.69 1xua s GLN 119 Cb -0.17 -2.12 -0.09 0.00 1.00 0.00 0.00 33.01 31.63 1xua s GLN 119 CO 0.12 -0.74 1.43 -2.14 -2.12 0.00 0.00 175.29 171.84 1xua s PRO 120 N -5.18 3.75 -0.23 2.91 0.02 -1.26 -4.56 135.00 130.45 1xua s PRO 120 Ca 0.55 2.43 -0.29 0.00 0.02 0.00 0.00 61.00 63.71 1xua s PRO 120 Cb -0.11 -2.70 -0.02 0.00 0.02 0.00 0.00 34.50 31.69 1xua s PRO 120 CO 0.51 -0.77 1.52 0.42 -0.33 0.00 0.00 177.00 178.35 1xua s ILE 121 N -1.19 3.83 0.61 2.83 -1.09 -1.26 -4.93 121.20 120.00 1xua s ILE 121 Ca 0.60 0.95 -0.15 0.00 -2.23 0.00 0.00 60.65 59.82 1xua s ILE 121 Cb -0.44 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1xua s ILE 121 CO 0.57 -0.33 1.05 -2.16 -1.23 0.00 0.00 174.94 172.85 1xua s PRO 122 N 4.46 3.28 0.40 2.79 0.04 -1.26 -4.91 135.00 139.79 1xua s PRO 122 Ca 0.67 1.13 0.08 0.00 0.04 0.00 0.00 61.00 62.92 1xua s PRO 122 Cb -0.23 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1xua s PRO 122 CO 0.27 -0.84 0.46 0.95 0.04 0.00 0.00 177.00 177.88 1xua s THR 123 N -2.59 3.13 0.19 1.26 -4.23 -0.97 -4.93 115.64 107.50 1xua s THR 123 Ca 0.62 -1.15 -0.19 0.00 -1.18 0.00 0.00 61.69 59.80 1xua s THR 123 Cb -0.15 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.64 1xua s THR 123 CO 0.40 -0.05 0.54 -1.66 -0.54 0.00 0.00 174.62 173.32 1xua s TRP 124 N -2.35 -0.21 0.28 3.99 -2.14 -1.26 -0.78 118.94 116.48 1xua s TRP 124 Ca 0.50 -0.12 -0.18 0.00 2.66 0.00 0.00 56.10 58.96 1xua s TRP 124 Cb -0.07 0.44 0.02 0.00 -3.10 0.00 0.00 33.47 30.75 1xua s TRP 124 CO 0.30 -0.91 0.67 -0.08 -2.66 0.00 0.00 176.95 174.27 1xua s THR 125 N -3.85 0.00 0.41 0.66 -1.32 -0.74 -5.00 115.64 105.80 1xua s THR 125 Ca 0.07 -1.10 -0.26 0.00 -1.21 0.00 0.00 61.69 59.19 1xua s THR 125 Cb -0.01 -2.14 -0.09 0.00 -1.51 0.00 0.00 72.50 68.75 1xua s THR 125 CO -0.05 0.00 1.30 0.00 -2.21 0.00 0.00 174.62 173.66 1xua s ALA 126 N -3.77 3.24 0.15 11.08 0.00 -1.26 -1.18 121.76 130.01 1xua s ALA 126 Ca 0.14 1.23 -0.16 0.00 0.00 0.00 0.00 51.96 53.18 1xua s ALA 126 Cb -0.05 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1xua s ALA 126 CO 0.08 -0.84 1.76 1.25 0.00 0.00 0.00 175.76 178.01 1xua h LEU 127 N 2.63 0.52 0.18 0.00 5.85 -1.72 -3.44 115.31 119.33 1xua h LEU 127 Ca -0.50 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.06 1xua h LEU 127 Cb 1.25 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1xua h LEU 127 CO 0.62 0.46 -0.07 0.61 -0.34 0.00 0.00 178.44 179.72 1xua n GLY 128 N -1.01 0.67 2.80 3.75 0.00 -1.26 -4.90 105.19 105.24 1xua n GLY 128 Ca 0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 1xua n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xua n ARG 129 N -2.60 1.61 0.02 1.61 1.74 -1.26 -4.99 116.66 112.79 1xua n ARG 129 Ca -0.04 -3.39 -0.12 0.00 -0.77 0.00 0.00 57.85 53.53 1xua n ARG 129 Cb 0.16 -1.48 -0.07 0.00 -1.02 0.00 0.00 32.46 30.05 1xua n ARG 129 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1xua h ASP 130 N 2.64 0.02 -0.74 0.55 5.19 -1.96 -1.54 116.42 120.58 1xua h ASP 130 Ca -0.14 -0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.14 1xua h ASP 130 Cb 1.25 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.72 1xua h ASP 130 CO 0.23 0.11 0.33 0.00 -3.12 0.00 0.00 179.24 176.79 1xua h ALA 131 N 0.91 0.96 -0.13 3.45 0.00 -1.97 -0.50 119.26 121.99 1xua h ALA 131 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xua h ALA 131 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xua h ALA 131 CO -0.00 0.56 0.06 1.49 0.00 0.00 0.00 179.25 181.35 1xua h GLU 132 N 1.06 0.12 -0.34 0.00 4.81 -1.93 -2.01 114.58 116.29 1xua h GLU 132 Ca 0.25 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1xua h GLU 132 Cb 0.16 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1xua h GLU 132 CO -0.03 0.08 -0.08 1.25 -0.73 0.00 0.00 179.01 179.51 1xua h LEU 133 N 0.13 0.66 -0.68 1.64 5.85 -0.98 -1.91 115.31 120.02 1xua h LEU 133 Ca 0.05 -0.36 -0.13 0.00 0.84 0.00 0.00 57.88 58.28 1xua h LEU 133 Cb 0.01 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1xua h LEU 133 CO -0.04 0.87 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.49 1xua h LEU 134 N 0.44 0.62 -0.01 2.25 3.38 -1.10 -1.02 115.31 119.88 1xua h LEU 134 Ca 0.09 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1xua h LEU 134 Cb 0.58 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1xua h LEU 134 CO 0.03 0.94 -0.04 0.50 0.09 0.00 0.00 178.44 179.96 1xua h LYS 135 N 0.49 -0.07 -0.88 1.13 3.64 -1.27 0.12 116.57 119.74 1xua h LYS 135 Ca 0.05 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.59 1xua h LYS 135 Cb 0.88 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.62 1xua h LYS 135 CO 0.08 -0.05 0.46 0.00 -2.27 0.00 0.00 179.45 177.67 1xua h ALA 136 N 0.93 1.34 0.00 5.00 0.00 -1.05 -2.53 119.26 122.95 1xua h ALA 136 Ca 0.02 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xua h ALA 136 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xua h ALA 136 CO -0.05 -0.09 -0.17 -0.07 0.00 0.00 0.00 179.25 178.87 1xua h LEU 137 N 0.64 0.00 0.00 0.00 3.38 -0.80 0.30 115.31 118.83 1xua h LEU 137 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1xua h LEU 137 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1xua h LEU 137 CO -0.37 0.17 0.00 0.61 0.09 0.00 0.00 178.44 178.94 1xua n GLY 138 N 0.87 1.14 3.44 0.83 0.00 -0.12 -4.29 105.19 107.06 1xua n GLY 138 Ca 0.02 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 1xua n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xua s ILE 139 N -2.00 0.76 -0.17 -0.61 -4.36 -0.34 -5.02 121.20 109.46 1xua s ILE 139 Ca 0.00 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.32 1xua s ILE 139 Cb 0.00 -2.57 -0.23 0.00 1.25 0.00 0.00 42.46 40.91 1xua s ILE 139 CO 0.00 0.00 0.18 -1.54 0.24 0.00 0.00 174.94 173.82 1xua n SER 140 N -0.91 2.05 -3.62 4.36 3.41 -1.26 -4.08 113.62 113.58 1xua n SER 140 Ca -0.03 0.17 -0.11 0.00 -0.26 0.00 0.00 58.87 58.64 1xua n SER 140 Cb 0.66 -0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 1xua n SER 140 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xua s ASP 141 N -6.93 -0.26 -0.03 4.04 1.01 -1.26 -5.02 116.67 108.21 1xua s ASP 141 Ca -0.27 -0.24 -0.04 0.00 0.71 0.00 0.00 52.55 52.71 1xua s ASP 141 Cb 0.07 0.47 -0.04 0.00 1.01 0.00 0.00 42.92 44.44 1xua s ASP 141 CO 0.69 -0.83 0.18 -0.55 0.21 0.00 0.00 175.17 174.88 1xua s SER 142 N -2.67 6.39 0.51 0.27 0.15 -1.26 -4.94 113.70 112.16 1xua s SER 142 Ca 0.01 0.41 0.29 0.00 0.70 0.00 0.00 55.95 57.36 1xua s SER 142 Cb 0.01 -2.03 1.36 0.00 -1.71 0.00 0.00 66.02 63.65 1xua s SER 142 CO -0.10 0.30 2.01 0.71 1.20 0.00 0.00 173.24 177.35 1xua h THR 143 N 3.12 0.45 -3.76 6.45 1.35 -1.66 -3.45 112.91 115.40 1xua h THR 143 Ca -0.50 -0.66 -0.25 0.00 -0.55 0.00 0.00 66.41 64.44 1xua h THR 143 Cb 1.20 1.46 -0.15 0.00 -1.73 0.00 0.00 68.15 68.93 1xua h THR 143 CO 0.66 0.12 -0.70 -0.36 -0.25 0.00 0.00 175.52 174.99 1xua s PHE 144 N -3.96 0.94 0.33 4.73 0.08 -1.26 -5.02 117.98 113.82 1xua s PHE 144 Ca -0.01 -0.85 -0.27 0.00 0.12 0.00 0.00 56.93 55.92 1xua s PHE 144 Cb 0.12 -0.53 -0.13 0.00 -0.57 0.00 0.00 43.02 41.91 1xua s PHE 144 CO 0.58 -0.10 0.99 -2.30 -0.10 0.00 0.00 175.22 174.29 1xua n PRO 145 N 0.08 1.34 -3.00 0.24 -0.02 -1.26 -4.63 135.00 127.74 1xua n PRO 145 Ca -0.13 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 1xua n PRO 145 Cb 0.60 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 1xua n PRO 145 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xua s ILE 146 N -1.14 4.66 0.15 4.25 1.01 -1.26 -4.92 121.20 123.95 1xua s ILE 146 Ca 0.60 0.04 0.10 0.00 0.00 0.00 0.00 60.65 61.38 1xua s ILE 146 Cb -0.65 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.41 1xua s ILE 146 CO 0.59 -0.86 -0.22 -1.61 0.00 0.00 0.00 174.94 172.84 1xua s GLU 147 N 3.23 1.32 -0.13 2.79 2.02 -1.26 -1.99 118.70 124.68 1xua s GLU 147 Ca 0.24 -1.37 0.02 0.00 0.02 0.00 0.00 54.97 53.88 1xua s GLU 147 Cb -0.15 -1.55 -0.00 0.00 0.10 0.00 0.00 34.13 32.52 1xua s GLU 147 CO 0.17 0.34 -0.18 -1.50 0.02 0.00 0.00 175.26 174.12 1xua s ILE 148 N -1.60 2.55 -0.01 -1.63 2.07 -0.33 -2.25 121.20 120.00 1xua s ILE 148 Ca 0.15 -0.83 0.04 0.00 -1.41 0.00 0.00 60.65 58.60 1xua s ILE 148 Cb -0.08 -2.04 -0.03 0.00 0.13 0.00 0.00 42.46 40.44 1xua s ILE 148 CO 0.07 0.54 -0.14 -0.31 -1.91 0.00 0.00 174.94 173.19 1xua s TYR 149 N 0.50 2.70 -0.16 3.50 2.02 0.19 -1.79 117.35 124.31 1xua s TYR 149 Ca -0.12 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 1xua s TYR 149 Cb -0.16 -1.58 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 1xua s TYR 149 CO 0.05 0.24 -0.16 -1.58 -1.57 0.00 0.00 175.55 172.53 1xua s HIS 150 N -0.84 2.37 -0.06 2.71 5.65 0.04 -1.20 115.29 123.97 1xua s HIS 150 Ca 0.13 -1.35 0.17 0.00 0.25 0.00 0.00 55.06 54.26 1xua s HIS 150 Cb -0.11 -1.70 0.33 0.00 -1.18 0.00 0.00 32.58 29.93 1xua s HIS 150 CO 0.03 -0.71 1.15 0.27 -0.65 0.00 0.00 174.74 174.83 1xua n ASN 151 N 4.70 1.07 0.00 9.88 0.23 -1.26 -2.30 115.26 127.58 1xua n ASN 151 Ca -0.18 -2.50 0.00 0.00 -0.53 0.00 0.00 54.58 51.36 1xua n ASN 151 Cb 0.50 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 1xua n ASN 151 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xua n GLY 152 N -0.11 1.98 3.71 4.83 0.00 -1.26 -4.76 105.19 109.58 1xua n GLY 152 Ca 0.08 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1xua n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xua s PRO 153 N 0.00 -0.59 0.05 1.61 0.04 -1.26 -4.85 135.00 129.99 1xua s PRO 153 Ca 0.00 -0.20 0.08 0.00 0.04 0.00 0.00 61.00 60.92 1xua s PRO 153 Cb 0.00 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.83 1xua s PRO 153 CO 0.00 -3.27 -0.23 1.03 0.04 0.00 0.00 177.00 174.57 1xua s ARG 154 N -5.58 1.55 -0.05 4.56 0.52 -1.26 -4.43 118.95 114.25 1xua s ARG 154 Ca 0.72 -1.02 -0.00 0.00 -0.52 0.00 0.00 55.73 54.90 1xua s ARG 154 Cb -0.07 -1.71 0.03 0.00 0.52 0.00 0.00 34.95 33.72 1xua s ARG 154 CO 0.55 0.44 -0.01 -1.01 0.02 0.00 0.00 175.30 175.29 1xua s HIS 155 N -0.81 0.56 -0.09 -0.53 3.76 -0.34 -0.99 115.29 116.84 1xua s HIS 155 Ca 0.09 -0.11 -0.08 0.00 -0.15 0.00 0.00 55.06 54.82 1xua s HIS 155 Cb -0.09 -0.65 -0.04 0.00 1.11 0.00 0.00 32.58 32.91 1xua s HIS 155 CO 0.02 -0.23 0.19 0.08 -0.85 0.00 0.00 174.74 173.94 1xua s VAL 156 N 1.48 5.42 -0.16 -0.90 1.01 -0.37 -0.64 120.40 126.25 1xua s VAL 156 Ca -0.03 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1xua s VAL 156 Cb -0.13 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1xua s VAL 156 CO -0.03 0.59 -0.13 -0.36 0.00 0.00 0.00 175.10 175.18 1xua s PHE 157 N -1.06 2.83 -0.15 5.22 0.08 -0.95 -0.35 117.98 123.59 1xua s PHE 157 Ca 0.17 -0.94 0.01 0.00 0.12 0.00 0.00 56.93 56.29 1xua s PHE 157 Cb -0.13 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 1xua s PHE 157 CO 0.07 -0.43 -0.16 0.08 -0.10 0.00 0.00 175.22 174.67 1xua s VAL 158 N 0.84 1.71 0.07 -0.44 1.01 -0.50 -4.00 120.40 119.09 1xua s VAL 158 Ca -0.04 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 1xua s VAL 158 Cb -0.15 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 1xua s VAL 158 CO 0.00 0.48 0.70 -0.83 0.00 0.00 0.00 175.10 175.45 1xua s GLY 159 N 1.31 2.77 0.07 4.51 0.00 -1.26 -1.13 107.32 113.59 1xua s GLY 159 Ca 0.02 0.21 0.06 0.00 0.00 0.00 0.00 44.72 45.01 1xua s GLY 159 CO -0.09 0.84 -0.10 1.08 0.00 0.00 0.00 173.10 174.83 1xua s LEU 160 N -0.59 3.02 0.00 0.66 2.01 0.92 -1.64 118.68 123.07 1xua s LEU 160 Ca 0.34 -0.32 0.29 0.00 0.01 0.00 0.00 54.13 54.45 1xua s LEU 160 Cb -0.21 -1.80 1.28 0.00 0.01 0.00 0.00 46.19 45.48 1xua s LEU 160 CO 0.22 0.22 1.93 -0.81 1.01 0.00 0.00 176.35 178.92 1xua n PRO 161 N 1.05 0.18 -3.47 1.29 -0.04 -1.26 -4.53 135.00 128.21 1xua n PRO 161 Ca -0.14 -0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 1xua n PRO 161 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1xua n PRO 161 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1xua s SER 162 N -2.83 -0.53 0.27 3.54 1.04 -1.26 -4.97 113.70 108.96 1xua s SER 162 Ca 0.19 -0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 1xua s SER 162 Cb 0.19 0.61 0.35 0.00 0.10 0.00 0.00 66.02 67.27 1xua s SER 162 CO 0.52 -1.00 1.78 0.40 0.98 0.00 0.00 173.24 175.92 1xua h ILE 163 N 2.02 1.24 -0.86 -1.02 2.04 -1.91 -1.63 117.51 117.38 1xua h ILE 163 Ca -0.33 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 1xua h ILE 163 Cb 1.30 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 1xua h ILE 163 CO 0.37 0.34 0.48 0.44 0.00 0.00 0.00 178.15 179.78 1xua h ASP 164 N 0.77 1.06 -0.51 1.72 3.32 -1.99 0.55 116.42 121.35 1xua h ASP 164 Ca 0.16 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1xua h ASP 164 Cb 0.39 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1xua h ASP 164 CO 0.01 0.84 0.06 0.00 -1.72 0.00 0.00 179.24 178.43 1xua h ALA 165 N 1.33 0.67 -0.27 3.45 0.00 -1.87 -1.38 119.26 121.20 1xua h ALA 165 Ca 0.30 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xua h ALA 165 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xua h ALA 165 CO -0.05 0.43 0.11 1.25 0.00 0.00 0.00 179.25 180.99 1xua h LEU 166 N 0.73 0.15 -1.71 0.00 5.85 -0.59 -2.62 115.31 117.12 1xua h LEU 166 Ca 0.15 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1xua h LEU 166 Cb 0.44 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1xua h LEU 166 CO 0.01 0.12 -0.18 0.28 -0.34 0.00 0.00 178.44 178.34 1xua h SER 167 N 0.25 0.00 1.06 1.25 0.02 -0.71 -2.82 113.55 112.59 1xua h SER 167 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1xua h SER 167 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1xua h SER 167 CO -0.10 0.18 0.00 0.00 -1.14 0.00 0.00 176.83 175.77 1xua n ALA 168 N -2.40 2.18 -1.71 3.77 0.00 -0.54 -4.86 120.51 116.95 1xua n ALA 168 Ca -0.02 -0.06 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1xua n ALA 168 Cb 0.26 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 1xua n ALA 168 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xua n LEU 169 N -1.78 3.84 -3.49 0.00 4.77 -1.07 -4.96 117.00 114.30 1xua n LEU 169 Ca 0.06 1.15 -0.27 0.00 -0.03 0.00 0.00 56.01 56.92 1xua n LEU 169 Cb 0.34 -1.52 -0.10 0.00 -2.33 0.00 0.00 43.42 39.80 1xua n LEU 169 CO 0.26 -0.14 -0.21 1.41 -1.33 0.00 0.00 177.39 177.37 1xua n HIS 170 N 1.83 0.55 -1.56 -1.77 8.25 -1.26 -5.12 115.22 116.14 1xua n HIS 170 Ca 0.09 -3.66 -0.33 0.00 -0.26 0.00 0.00 57.72 53.56 1xua n HIS 170 Cb 0.35 -0.11 0.07 0.00 1.12 0.00 0.00 29.99 31.42 1xua n HIS 170 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 1xua s PRO 171 N -0.70 2.49 -0.79 -0.41 0.02 -1.26 -4.81 135.00 129.53 1xua s PRO 171 Ca 0.32 1.45 -0.25 0.00 0.02 0.00 0.00 61.00 62.54 1xua s PRO 171 Cb 0.05 -1.91 0.04 0.00 0.02 0.00 0.00 34.50 32.70 1xua s PRO 171 CO -0.17 -1.51 1.27 0.34 -0.33 0.00 0.00 177.00 176.61 1xua s ASP 172 N -2.56 6.25 0.34 2.53 -1.08 0.09 -4.90 116.67 117.33 1xua s ASP 172 Ca 0.68 -0.78 0.03 0.00 -0.52 0.00 0.00 52.55 51.96 1xua s ASP 172 Cb -0.22 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.30 1xua s ASP 172 CO 0.45 -1.70 1.92 -0.74 0.52 0.00 0.00 175.17 175.62 1xua h HIS 173 N 9.88 0.67 -0.35 -5.34 -0.00 -1.93 0.47 115.15 118.55 1xua h HIS 173 Ca -0.17 -0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.02 1xua h HIS 173 Cb 1.04 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.24 1xua h HIS 173 CO 1.14 0.54 -0.37 -0.09 -0.00 0.00 0.00 177.93 179.15 1xua h ARG 174 N 0.66 0.87 -0.64 5.26 2.43 -1.98 -1.46 114.38 119.52 1xua h ARG 174 Ca 0.16 -0.47 -0.09 0.00 -0.81 0.00 0.00 59.98 58.77 1xua h ARG 174 Cb 0.17 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1xua h ARG 174 CO -0.01 1.11 0.05 0.00 -1.51 0.00 0.00 179.97 179.61 1xua h ALA 175 N 0.75 0.88 0.00 2.80 0.00 -1.73 -2.65 119.26 119.31 1xua h ALA 175 Ca 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1xua h ALA 175 Cb 0.96 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1xua h ALA 175 CO 0.09 0.67 -0.04 -0.07 0.00 0.00 0.00 179.25 179.90 1xua h LEU 176 N 1.01 0.00 0.00 0.00 3.38 -0.69 -3.02 115.31 115.99 1xua h LEU 176 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1xua h LEU 176 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1xua h LEU 176 CO 0.02 0.04 0.00 -1.20 0.09 0.00 0.00 178.44 177.40 1xua n SER 177 N -3.41 0.00 -0.82 -0.43 7.64 -0.57 -1.52 113.62 114.51 1xua n SER 177 Ca -0.02 0.16 0.12 0.00 1.01 0.00 0.00 58.87 60.14 1xua n SER 177 Cb 0.17 -0.33 0.28 0.00 -1.01 0.00 0.00 64.21 63.32 1xua n SER 177 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1xua n ASN 178 N -1.33 2.50 -4.32 6.43 3.02 -1.14 -4.61 115.26 115.81 1xua n ASN 178 Ca 0.07 -1.83 -0.46 0.00 -0.03 0.00 0.00 54.58 52.33 1xua n ASN 178 Cb 0.14 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 1xua n ASN 178 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1xua s PHE 179 N -1.83 3.34 0.37 3.10 0.08 -0.57 -5.07 117.98 117.40 1xua s PHE 179 Ca 0.34 -1.43 -0.12 0.00 0.12 0.00 0.00 56.93 55.84 1xua s PHE 179 Cb 0.20 -3.84 -0.08 0.00 -0.57 0.00 0.00 43.02 38.74 1xua s PHE 179 CO 0.30 -1.05 0.75 -1.01 -0.10 0.00 0.00 175.22 174.11 1xua s HIS 180 N 1.39 3.43 -1.47 0.36 3.76 -1.26 -4.30 115.29 117.20 1xua s HIS 180 Ca 0.08 1.12 -0.01 0.00 -0.15 0.00 0.00 55.06 56.10 1xua s HIS 180 Cb -0.24 -2.48 0.01 0.00 1.11 0.00 0.00 32.58 30.98 1xua s HIS 180 CO 0.00 -0.02 0.28 -3.47 -0.85 0.00 0.00 174.74 170.69 1xua n ASP 181 N -0.88 0.04 -3.47 1.40 2.03 -1.26 -4.96 116.55 109.45 1xua n ASP 181 Ca 0.03 -1.10 -0.11 0.00 0.52 0.00 0.00 54.79 54.13 1xua n ASP 181 Cb 0.54 -2.53 -0.02 0.00 -0.72 0.00 0.00 41.12 38.39 1xua n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xua s MET 182 N -6.86 1.18 0.09 -0.67 0.23 -1.26 -4.16 119.30 107.85 1xua s MET 182 Ca 0.03 -0.45 0.10 0.00 -1.03 0.00 0.00 55.69 54.33 1xua s MET 182 Cb -0.02 0.53 -0.04 0.00 -1.53 0.00 0.00 34.83 33.78 1xua s MET 182 CO 0.93 -0.52 -0.25 0.00 -2.03 0.00 0.00 175.02 173.15 1xua s ALA 183 N -3.59 2.38 -0.32 3.16 0.00 -0.17 -4.44 121.76 118.79 1xua s ALA 183 Ca 0.03 -1.36 -0.08 0.00 0.00 0.00 0.00 51.96 50.54 1xua s ALA 183 Cb -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.65 1xua s ALA 183 CO -0.11 0.55 0.13 0.42 0.00 0.00 0.00 175.76 176.74 1xua s ILE 184 N -0.96 4.21 -0.28 0.00 1.09 -0.01 -1.23 121.20 124.02 1xua s ILE 184 Ca 0.14 -0.72 -0.05 0.00 -1.10 0.00 0.00 60.65 58.91 1xua s ILE 184 Cb -0.10 -3.23 0.02 0.00 -1.06 0.00 0.00 42.46 38.09 1xua s ILE 184 CO 0.05 -0.02 0.03 0.20 -0.10 0.00 0.00 174.94 175.09 1xua s ASN 185 N 1.52 4.83 -0.16 3.58 0.01 0.52 -1.47 114.94 123.78 1xua s ASN 185 Ca 0.02 -0.81 -0.06 0.00 -0.71 0.00 0.00 52.86 51.30 1xua s ASN 185 Cb -0.18 -1.79 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 1xua s ASN 185 CO 0.04 -0.18 0.06 0.00 -1.51 0.00 0.00 177.10 175.52 1xua s PHE 187 N -0.04 0.90 0.09 0.00 -0.12 -0.28 -1.31 117.98 117.21 1xua s PHE 187 Ca 0.06 -0.53 -0.16 0.00 -0.05 0.00 0.00 56.93 56.25 1xua s PHE 187 Cb -0.12 -0.52 0.03 0.00 -0.63 0.00 0.00 43.02 41.78 1xua s PHE 187 CO 0.01 -0.03 0.38 0.00 -0.05 0.00 0.00 175.22 175.53 1xua s ALA 188 N -1.60 -0.90 0.00 1.99 0.00 -0.44 -0.05 121.76 120.77 1xua s ALA 188 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1xua s ALA 188 Cb -0.08 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1xua s ALA 188 CO 0.01 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1xua n GLY 189 N 0.13 0.59 3.64 0.00 0.00 -1.26 0.11 105.19 108.40 1xua n GLY 189 Ca -0.17 -1.66 -0.06 0.00 0.00 0.00 0.00 46.02 44.13 1xua n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xua s ALA 190 N -1.00 -2.09 0.00 4.61 0.00 -0.82 -5.01 121.76 117.44 1xua s ALA 190 Ca 0.00 2.08 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1xua s ALA 190 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1xua s ALA 190 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1xua n GLY 191 N 3.08 3.80 0.94 0.00 0.00 -1.26 -2.18 105.19 109.57 1xua n GLY 191 Ca -0.16 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1xua n GLY 191 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xua n ARG 192 N 13.51 2.20 -3.87 1.61 1.85 -1.26 -4.87 116.66 125.82 1xua n ARG 192 Ca 0.00 -1.83 -0.27 0.00 -1.00 0.00 0.00 57.85 54.74 1xua n ARG 192 Cb 0.00 -1.44 -0.17 0.00 -1.05 0.00 0.00 32.46 29.81 1xua n ARG 192 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1xua s ARG 193 N -1.45 1.34 0.08 2.89 1.81 -0.92 -0.80 118.95 121.89 1xua s ARG 193 Ca 0.36 -0.40 0.05 0.00 -1.72 0.00 0.00 55.73 54.02 1xua s ARG 193 Cb 0.19 -1.84 -0.03 0.00 -0.45 0.00 0.00 34.95 32.83 1xua s ARG 193 CO 0.27 -0.40 -0.14 -1.58 -0.68 0.00 0.00 175.30 172.76 1xua s TRP 194 N 1.69 1.26 0.07 -0.53 0.52 -0.53 -1.95 118.94 119.47 1xua s TRP 194 Ca 0.02 -0.47 0.07 0.00 0.02 0.00 0.00 56.10 55.73 1xua s TRP 194 Cb -0.15 -0.70 -0.04 0.00 -1.15 0.00 0.00 33.47 31.43 1xua s TRP 194 CO -0.08 0.07 -0.12 1.03 0.02 0.00 0.00 176.95 177.88 1xua s ARG 195 N -1.89 2.16 0.08 4.98 1.81 0.12 -0.45 118.95 125.76 1xua s ARG 195 Ca -0.00 -0.97 -0.01 0.00 -1.72 0.00 0.00 55.73 53.03 1xua s ARG 195 Cb -0.09 -2.29 -0.04 0.00 -0.45 0.00 0.00 34.95 32.08 1xua s ARG 195 CO 0.02 0.53 0.01 -1.54 -0.68 0.00 0.00 175.30 173.65 1xua s SER 196 N -1.86 0.41 0.00 0.23 1.04 -0.54 -1.32 113.70 111.66 1xua s SER 196 Ca 0.18 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1xua s SER 196 Cb -0.11 0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.25 1xua s SER 196 CO 0.10 -0.66 -0.02 -0.13 0.98 0.00 0.00 173.24 173.52 1xua s ARG 197 N -3.97 0.14 -0.06 4.02 0.52 -0.43 -3.65 118.95 115.53 1xua s ARG 197 Ca 0.14 -0.14 0.03 0.00 -0.52 0.00 0.00 55.73 55.24 1xua s ARG 197 Cb 0.08 -0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.47 1xua s ARG 197 CO -0.05 0.02 -0.15 1.41 0.02 0.00 0.00 175.30 176.55 1xua s MET 198 N -0.27 1.79 -0.10 3.54 1.75 -1.26 -0.95 119.30 123.80 1xua s MET 198 Ca -0.02 -0.52 0.02 0.00 -1.25 0.00 0.00 55.69 53.92 1xua s MET 198 Cb -0.02 -1.50 0.01 0.00 2.84 0.00 0.00 34.83 36.16 1xua s MET 198 CO -0.00 0.13 -0.17 -0.06 -0.65 0.00 0.00 175.02 174.27 1xua s PHE 199 N 0.35 2.06 -0.42 4.11 0.08 -0.54 -1.21 117.98 122.41 1xua s PHE 199 Ca -0.10 -0.91 0.05 0.00 0.12 0.00 0.00 56.93 56.09 1xua s PHE 199 Cb -0.14 -1.45 0.17 0.00 -0.57 0.00 0.00 43.02 41.03 1xua s PHE 199 CO 0.03 -0.43 0.46 0.45 -0.10 0.00 0.00 175.22 175.63 1xua s SER 200 N 0.74 0.49 0.46 1.36 0.15 -0.72 -0.83 113.70 115.35 1xua s SER 200 Ca -0.11 -2.05 0.19 0.00 0.70 0.00 0.00 55.95 54.68 1xua s SER 200 Cb -0.16 0.64 1.18 0.00 -1.71 0.00 0.00 66.02 65.98 1xua s SER 200 CO 0.02 -0.18 1.94 -0.65 1.20 0.00 0.00 173.24 175.58 1xua h PRO 201 N 6.11 0.26 -0.39 5.44 0.11 -1.85 -1.35 132.00 140.34 1xua h PRO 201 Ca 0.12 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 1xua h PRO 201 Cb 1.03 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1xua h PRO 201 CO 0.20 0.17 0.17 0.00 -0.21 0.00 0.00 178.00 178.33 1xua h ALA 202 N 1.67 1.57 -0.45 -0.75 0.00 -1.79 -2.12 119.26 117.40 1xua h ALA 202 Ca 0.33 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1xua h ALA 202 Cb 0.93 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1xua h ALA 202 CO -0.08 0.34 0.04 0.66 0.00 0.00 0.00 179.25 180.22 1xua n TYR 203 N -4.40 1.57 -2.33 0.00 4.01 -0.59 -4.82 117.16 110.61 1xua n TYR 203 Ca 0.03 -0.94 -0.11 0.00 -0.16 0.00 0.00 57.90 56.71 1xua n TYR 203 Cb 0.13 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 1xua n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xua n GLY 204 N -0.15 -0.07 2.81 2.72 0.00 -0.80 -4.59 105.19 105.12 1xua n GLY 204 Ca 0.28 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 1xua n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xua s VAL 205 N -2.64 -0.12 0.08 1.61 0.11 -0.71 -4.77 120.40 113.96 1xua s VAL 205 Ca 0.04 0.28 -0.29 0.00 -2.93 0.00 0.00 61.98 59.09 1xua s VAL 205 Cb -0.02 -0.19 -0.17 0.00 -1.53 0.00 0.00 36.38 34.47 1xua s VAL 205 CO 0.05 0.12 1.67 0.58 -3.33 0.00 0.00 175.10 174.19 1xua h VAL 206 N 6.28 0.58 -3.00 2.04 2.07 -1.93 -1.92 116.25 120.37 1xua h VAL 206 Ca -0.30 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.01 1xua h VAL 206 Cb 1.12 0.58 -0.31 0.00 -1.52 0.00 0.00 31.29 31.17 1xua h VAL 206 CO 0.31 0.00 -0.50 -0.70 0.02 0.00 0.00 177.57 176.70 1xua s GLU 207 N -6.11 0.18 0.02 1.57 2.12 -1.26 -3.80 118.70 111.42 1xua s GLU 207 Ca -0.16 0.57 -0.06 0.00 0.36 0.00 0.00 54.97 55.68 1xua s GLU 207 Cb 0.05 -0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.28 1xua s GLU 207 CO 0.64 -0.19 0.27 0.34 -0.54 0.00 0.00 175.26 175.77 1xua s ASP 208 N 1.54 6.48 0.12 -1.70 2.15 -0.35 -5.02 116.67 119.89 1xua s ASP 208 Ca -0.07 0.54 -0.03 0.00 0.43 0.00 0.00 52.55 53.42 1xua s ASP 208 Cb -0.11 -2.08 -0.14 0.00 -0.30 0.00 0.00 42.92 40.29 1xua s ASP 208 CO -0.08 0.24 1.26 0.00 -0.17 0.00 0.00 175.17 176.42 1xua h ALA 209 N 3.87 0.30 -1.58 3.66 0.00 -1.89 -3.38 119.26 120.24 1xua h ALA 209 Ca -0.49 -0.77 -0.07 0.00 0.00 0.00 0.00 54.91 53.57 1xua h ALA 209 Cb 1.19 -0.02 -0.27 0.00 0.00 0.00 0.00 17.79 18.70 1xua h ALA 209 CO 0.67 0.88 -0.42 0.00 0.00 0.00 0.00 179.25 180.38 1xua s ALA 210 N -3.06 -1.50 -0.88 0.00 0.00 -1.26 -3.09 121.76 111.97 1xua s ALA 210 Ca -0.05 1.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.99 1xua s ALA 210 Cb 0.08 -1.88 0.22 0.00 0.00 0.00 0.00 23.12 21.55 1xua s ALA 210 CO 0.87 -1.33 0.80 0.99 0.00 0.00 0.00 175.76 177.08 1xua s THR 211 N 2.65 5.04 0.40 0.00 2.01 -1.26 -4.59 115.64 119.89 1xua s THR 211 Ca 0.15 -3.17 0.09 0.00 0.31 0.00 0.00 61.69 59.08 1xua s THR 211 Cb -0.15 -4.11 0.19 0.00 0.01 0.00 0.00 72.50 68.44 1xua s THR 211 CO -0.19 -1.06 1.96 1.23 -0.69 0.00 0.00 174.62 175.88 1xua h GLY 212 N 6.90 0.30 2.00 4.40 0.00 -1.95 -0.84 103.07 113.88 1xua h GLY 212 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1xua h GLY 212 CO 0.84 0.15 0.00 -1.14 0.00 0.00 0.00 176.54 176.39 1xua n SER 213 N -4.34 0.13 0.12 0.19 3.41 -1.26 -2.60 113.62 109.28 1xua n SER 213 Ca -0.00 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 1xua n SER 213 Cb 0.21 -0.56 0.03 0.00 -0.26 0.00 0.00 64.21 63.64 1xua n SER 213 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xua h ALA 214 N 2.58 0.59 -0.36 7.33 0.00 -1.58 -3.40 119.26 124.43 1xua h ALA 214 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1xua h ALA 214 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xua h ALA 214 CO 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.18 1xua h ALA 215 N 2.01 0.49 0.04 0.00 0.00 -1.34 -0.95 119.26 119.50 1xua h ALA 215 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xua h ALA 215 Cb 1.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xua h ALA 215 CO 0.00 0.33 -0.02 0.78 0.00 0.00 0.00 179.25 180.34 1xua h GLY 216 N 0.48 -0.06 0.58 0.00 0.00 -1.79 -2.51 103.07 99.78 1xua h GLY 216 Ca 0.09 0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.57 1xua h GLY 216 CO 0.03 -0.02 0.57 -2.55 0.00 0.00 0.00 176.54 174.58 1xua h PRO 217 N -0.46 0.73 -0.39 4.80 0.11 -1.77 -1.96 132.00 133.07 1xua h PRO 217 Ca -0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1xua h PRO 217 Cb 0.42 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1xua h PRO 217 CO 0.01 0.49 0.18 1.25 -0.21 0.00 0.00 178.00 179.71 1xua h LEU 218 N 0.76 0.52 -0.85 2.35 5.85 -0.92 -0.04 115.31 122.98 1xua h LEU 218 Ca 0.44 -0.14 0.12 0.00 0.84 0.00 0.00 57.88 59.14 1xua h LEU 218 Cb 0.62 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 1xua h LEU 218 CO -0.20 0.52 0.48 0.00 -0.34 0.00 0.00 178.44 178.90 1xua h ALA 219 N 1.02 1.26 0.02 1.25 0.00 -1.01 0.10 119.26 121.90 1xua h ALA 219 Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xua h ALA 219 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xua h ALA 219 CO -0.01 0.03 -0.01 0.82 0.00 0.00 0.00 179.25 180.08 1xua h ILE 220 N 0.74 1.03 -0.49 0.00 2.04 -0.91 -2.79 117.51 117.13 1xua h ILE 220 Ca 0.44 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 66.23 1xua h ILE 220 Cb 0.50 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 1xua h ILE 220 CO -0.30 0.04 0.10 -0.74 0.00 0.00 0.00 178.15 177.25 1xua h HIS 221 N -0.09 0.15 -0.71 1.37 2.76 -0.28 0.27 115.15 118.62 1xua h HIS 221 Ca -0.00 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 1xua h HIS 221 Cb 0.09 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 1xua h HIS 221 CO -0.05 -0.01 0.22 -0.07 -1.30 0.00 0.00 177.93 176.71 1xua h LEU 222 N 0.23 1.05 -0.30 0.26 3.38 -1.03 -1.28 115.31 117.62 1xua h LEU 222 Ca 0.25 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1xua h LEU 222 Cb 0.33 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xua h LEU 222 CO -0.32 0.98 -0.48 0.00 0.09 0.00 0.00 178.44 178.70 1xua h ALA 223 N 1.10 0.46 0.00 1.53 0.00 -1.20 -0.02 119.26 121.14 1xua h ALA 223 Ca 0.23 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1xua h ALA 223 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xua h ALA 223 CO -0.01 0.64 -0.25 0.00 0.00 0.00 0.00 179.25 179.63 1xua h ARG 224 N 0.64 0.00 -0.57 0.00 3.08 -0.64 -2.42 114.38 114.47 1xua h ARG 224 Ca 0.02 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.89 1xua h ARG 224 Cb 1.09 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.03 1xua h ARG 224 CO 0.11 0.25 0.16 0.72 -1.07 0.00 0.00 179.97 180.14 1xua n HIS 225 N -4.05 1.87 -1.05 3.04 8.25 -0.51 -4.96 115.22 117.81 1xua n HIS 225 Ca -0.02 -1.27 -0.02 0.00 -0.26 0.00 0.00 57.72 56.16 1xua n HIS 225 Cb 0.32 -0.58 -0.01 0.00 1.12 0.00 0.00 29.99 30.84 1xua n HIS 225 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xua n GLY 226 N -0.53 0.51 0.10 -1.41 0.00 -0.81 -4.90 105.19 98.15 1xua n GLY 226 Ca 0.36 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1xua n GLY 226 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xua n GLN 227 N -2.32 0.61 -4.16 1.61 1.13 -0.09 -4.93 117.38 109.23 1xua n GLN 227 Ca -0.02 0.12 -0.11 0.00 -1.94 0.00 0.00 57.00 55.05 1xua n GLN 227 Cb 0.13 -1.80 -0.09 0.00 0.11 0.00 0.00 30.24 28.60 1xua n GLN 227 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1xua s ILE 228 N -3.26 0.00 0.10 5.09 -4.36 -1.21 -4.53 121.20 113.03 1xua s ILE 228 Ca -0.02 -1.88 -0.13 0.00 -0.26 0.00 0.00 60.65 58.37 1xua s ILE 228 Cb 0.10 -2.44 -0.06 0.00 1.25 0.00 0.00 42.46 41.30 1xua s ILE 228 CO 0.80 0.00 0.47 -0.70 0.24 0.00 0.00 174.94 175.76 1xua s GLU 229 N -4.13 3.89 0.23 0.37 2.56 -1.26 -4.19 118.70 116.18 1xua s GLU 229 Ca 0.36 0.36 -0.31 0.00 0.00 0.00 0.00 54.97 55.37 1xua s GLU 229 Cb 0.05 -3.00 -0.14 0.00 2.00 0.00 0.00 34.13 33.05 1xua s GLU 229 CO 0.11 0.54 1.39 1.19 -0.56 0.00 0.00 175.26 177.94 1xua n PHE 230 N 0.99 2.10 -0.13 5.30 3.72 -1.26 -2.07 117.46 126.11 1xua n PHE 230 Ca -0.08 0.45 0.00 0.00 -0.05 0.00 0.00 57.45 57.77 1xua n PHE 230 Cb 0.52 -2.45 0.00 0.00 -0.94 0.00 0.00 39.48 36.61 1xua n PHE 230 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xua n GLY 231 N 2.18 0.82 3.65 1.37 0.00 -0.22 -4.90 105.19 108.10 1xua n GLY 231 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1xua n GLY 231 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xua s GLN 232 N -0.69 4.21 0.36 1.61 0.74 -0.88 -4.91 119.66 120.10 1xua s GLN 232 Ca 0.00 0.72 -0.27 0.00 0.05 0.00 0.00 55.36 55.86 1xua s GLN 232 Cb 0.00 -3.60 -0.09 0.00 1.10 0.00 0.00 33.01 30.42 1xua s GLN 232 CO 0.00 -0.32 1.25 -1.25 -0.55 0.00 0.00 175.29 174.42 1xua s PRO 233 N 2.15 4.22 0.12 1.67 0.04 -1.26 -4.62 135.00 137.33 1xua s PRO 233 Ca 0.31 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.48 1xua s PRO 233 Cb -0.16 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1xua s PRO 233 CO 0.10 -0.24 -0.17 0.14 0.04 0.00 0.00 177.00 176.86 1xua s VAL 234 N -1.24 1.56 -0.18 -0.36 -7.23 -0.56 -4.81 120.40 107.58 1xua s VAL 234 Ca 0.52 -1.67 -0.08 0.00 -1.81 0.00 0.00 61.98 58.94 1xua s VAL 234 Cb -0.36 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1xua s VAL 234 CO 0.47 -0.26 0.08 -1.61 -0.31 0.00 0.00 175.10 173.47 1xua s GLU 235 N -2.36 3.98 -0.21 4.82 2.02 0.02 -1.76 118.70 125.21 1xua s GLU 235 Ca 0.09 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 54.78 1xua s GLU 235 Cb -0.07 -3.24 0.03 0.00 0.10 0.00 0.00 34.13 30.95 1xua s GLU 235 CO 0.04 0.30 -0.15 0.42 0.02 0.00 0.00 175.26 175.89 1xua s ILE 236 N 0.29 2.19 -0.38 -1.63 1.01 0.49 -1.45 121.20 121.73 1xua s ILE 236 Ca 0.04 -1.18 -0.14 0.00 0.00 0.00 0.00 60.65 59.38 1xua s ILE 236 Cb -0.12 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.29 1xua s ILE 236 CO -0.00 0.31 0.27 -0.22 0.00 0.00 0.00 174.94 175.30 1xua s LEU 237 N 1.23 4.86 0.26 2.97 2.96 0.40 -0.84 118.68 130.52 1xua s LEU 237 Ca -0.00 -0.73 0.10 0.00 -0.22 0.00 0.00 54.13 53.28 1xua s LEU 237 Cb -0.16 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 1xua s LEU 237 CO -0.09 -0.36 -0.06 -1.58 -1.32 0.00 0.00 176.35 172.93 1xua s GLN 238 N 1.69 2.11 -0.01 1.98 0.74 -0.73 -1.46 119.66 123.98 1xua s GLN 238 Ca 0.05 -1.49 0.00 0.00 0.05 0.00 0.00 55.36 53.97 1xua s GLN 238 Cb -0.18 -2.06 0.00 0.00 1.10 0.00 0.00 33.01 31.86 1xua s GLN 238 CO 0.10 0.36 0.00 0.41 -0.55 0.00 0.00 175.29 175.61 1xua n GLY 239 N -0.72 0.48 0.19 2.59 0.00 -1.18 -0.22 105.19 106.33 1xua n GLY 239 Ca -0.07 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1xua n GLY 239 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xua h VAL 240 N 0.00 1.22 -0.30 1.61 2.07 -1.86 -0.12 116.25 118.87 1xua h VAL 240 Ca -0.00 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1xua h VAL 240 Cb 0.04 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1xua h VAL 240 CO 0.00 0.26 0.06 -0.33 0.02 0.00 0.00 177.57 177.58 1xua h GLU 241 N 0.46 0.44 -0.36 1.57 3.07 -1.95 -1.89 114.58 115.93 1xua h GLU 241 Ca 0.12 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1xua h GLU 241 Cb 0.29 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1xua h GLU 241 CO -0.00 0.42 0.00 0.44 -1.40 0.00 0.00 179.01 178.47 1xua n ILE 242 N -4.36 0.48 -1.37 3.13 -5.35 -1.15 -4.94 119.36 105.80 1xua n ILE 242 Ca 0.01 -0.49 -0.03 0.00 -0.27 0.00 0.00 62.75 61.97 1xua n ILE 242 Cb 0.18 0.27 -0.01 0.00 -1.74 0.00 0.00 39.64 38.34 1xua n ILE 242 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xua n GLY 243 N 1.11 0.52 2.47 3.28 0.00 -0.71 -4.97 105.19 106.90 1xua n GLY 243 Ca 0.13 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 1xua n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xua n ARG 244 N -2.46 1.86 -1.74 1.61 5.12 -0.08 -4.88 116.66 116.08 1xua n ARG 244 Ca -0.03 -3.97 -0.42 0.00 -1.93 0.00 0.00 57.85 51.49 1xua n ARG 244 Cb 0.23 -1.90 -0.03 0.00 -1.16 0.00 0.00 32.46 29.60 1xua n ARG 244 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1xua s PRO 245 N -2.73 4.13 -0.06 5.56 0.04 -1.21 -4.26 135.00 136.48 1xua s PRO 245 Ca 0.43 2.58 0.00 0.00 0.04 0.00 0.00 61.00 64.06 1xua s PRO 245 Cb 0.30 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.68 1xua s PRO 245 CO -0.10 -0.76 -0.04 -1.12 0.04 0.00 0.00 177.00 175.02 1xua s SER 246 N 1.48 1.31 -0.36 6.66 0.01 0.69 -1.33 113.70 122.16 1xua s SER 246 Ca 0.76 -0.15 -0.11 0.00 1.31 0.00 0.00 55.95 57.76 1xua s SER 246 Cb -0.48 -0.52 0.01 0.00 0.21 0.00 0.00 66.02 65.24 1xua s SER 246 CO 0.33 -0.09 0.20 -0.22 0.41 0.00 0.00 173.24 173.87 1xua s LEU 247 N 1.26 4.58 -0.13 2.44 2.96 -0.81 -1.78 118.68 127.20 1xua s LEU 247 Ca -0.05 -0.82 -0.05 0.00 -0.22 0.00 0.00 54.13 52.99 1xua s LEU 247 Cb -0.14 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1xua s LEU 247 CO -0.02 -0.33 0.05 -0.04 -1.32 0.00 0.00 176.35 174.69 1xua s MET 248 N 1.59 3.41 -0.14 1.98 -1.94 -0.02 -4.68 119.30 119.51 1xua s MET 248 Ca 0.03 -0.34 -0.03 0.00 -1.71 0.00 0.00 55.69 53.64 1xua s MET 248 Cb -0.18 -3.01 -0.03 0.00 2.01 0.00 0.00 34.83 33.62 1xua s MET 248 CO 0.07 0.56 -0.03 -0.06 -0.01 0.00 0.00 175.02 175.55 1xua s PHE 249 N -0.47 3.05 0.02 -0.03 0.08 -0.42 -0.38 117.98 119.83 1xua s PHE 249 Ca 0.09 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 56.99 1xua s PHE 249 Cb -0.12 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 1xua s PHE 249 CO 0.02 0.10 -0.04 0.00 -0.10 0.00 0.00 175.22 175.20 1xua s ALA 250 N 0.03 0.22 -0.11 5.36 0.00 -0.72 -1.14 121.76 125.40 1xua s ALA 250 Ca 0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 51.96 51.47 1xua s ALA 250 Cb -0.13 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.11 1xua s ALA 250 CO 0.02 -0.07 0.24 0.21 0.00 0.00 0.00 175.76 176.16 1xua s LYS 251 N -1.01 0.16 -0.24 0.00 2.20 -0.48 -1.49 119.74 118.88 1xua s LYS 251 Ca -0.09 0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 56.06 1xua s LYS 251 Cb -0.07 -0.11 -0.00 0.00 -1.51 0.00 0.00 37.83 36.14 1xua s LYS 251 CO -0.00 -0.21 -0.01 0.00 -0.36 0.00 0.00 175.35 174.76 1xua s ALA 252 N 1.69 2.88 0.04 3.13 0.00 -1.26 -1.21 121.76 127.04 1xua s ALA 252 Ca -0.05 -1.26 -0.00 0.00 0.00 0.00 0.00 51.96 50.65 1xua s ALA 252 Cb -0.11 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1xua s ALA 252 CO -0.08 -0.58 0.17 -1.21 0.00 0.00 0.00 175.76 174.06 1xua s GLU 253 N 1.48 3.33 0.00 0.00 2.02 -0.02 -1.05 118.70 124.45 1xua s GLU 253 Ca 0.04 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1xua s GLU 253 Cb -0.15 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.09 1xua s GLU 253 CO -0.02 0.62 0.00 0.41 0.02 0.00 0.00 175.26 176.29 1xua n GLY 254 N 0.54 0.81 3.32 -1.39 0.00 -1.26 -0.91 105.19 106.30 1xua n GLY 254 Ca -0.08 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 1xua n GLY 254 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xua s ARG 255 N 0.00 1.16 0.26 1.61 1.70 -0.60 -4.82 118.95 118.26 1xua s ARG 255 Ca 0.00 -1.27 -0.01 0.00 -0.47 0.00 0.00 55.73 53.98 1xua s ARG 255 Cb 0.00 0.35 0.54 0.00 -0.57 0.00 0.00 34.95 35.27 1xua s ARG 255 CO 0.00 -0.41 1.76 0.00 -1.08 0.00 0.00 175.30 175.57 1xua h ALA 256 N 2.58 1.28 0.00 7.88 0.00 -1.98 -0.38 119.26 128.63 1xua h ALA 256 Ca -0.32 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xua h ALA 256 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xua h ALA 256 CO 0.49 -0.10 -0.38 0.93 0.00 0.00 0.00 179.25 180.19 1xua h GLU 257 N 0.61 0.00 -1.90 0.00 3.07 -2.02 -3.40 114.58 110.94 1xua h GLU 257 Ca 0.46 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.97 1xua h GLU 257 Cb 0.67 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.27 1xua h GLU 257 CO -0.37 0.00 -0.68 -1.14 -1.40 0.00 0.00 179.01 175.42 1xua s GLN 258 N -3.20 0.66 0.15 2.33 0.74 -0.17 -5.13 119.66 115.04 1xua s GLN 258 Ca 0.06 -0.86 -0.26 0.00 0.05 0.00 0.00 55.36 54.35 1xua s GLN 258 Cb 0.10 -0.69 -0.07 0.00 1.10 0.00 0.00 33.01 33.45 1xua s GLN 258 CO 0.69 -1.20 0.79 -0.51 -0.55 0.00 0.00 175.29 174.51 1xua s LEU 259 N 1.41 4.57 -0.09 3.68 1.43 -1.09 -1.56 118.68 127.03 1xua s LEU 259 Ca 0.17 1.63 0.16 0.00 -1.03 0.00 0.00 54.13 55.07 1xua s LEU 259 Cb -0.15 -3.31 -0.24 0.00 0.03 0.00 0.00 46.19 42.52 1xua s LEU 259 CO -0.02 0.16 0.23 0.35 0.23 0.00 0.00 176.35 177.29 1xua n THR 260 N 1.87 0.53 -3.60 5.49 -2.24 -0.09 -4.94 114.28 111.30 1xua n THR 260 Ca -0.04 -0.54 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 1xua n THR 260 Cb 0.49 -0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.43 1xua n THR 260 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1xua s ARG 261 N -2.82 0.83 -0.35 -0.78 3.52 -1.20 -5.00 118.95 113.15 1xua s ARG 261 Ca -0.07 0.70 0.00 0.00 -0.13 0.00 0.00 55.73 56.23 1xua s ARG 261 Cb 0.08 0.40 0.11 0.00 -1.56 0.00 0.00 34.95 33.98 1xua s ARG 261 CO 0.70 -0.16 0.14 0.08 -0.81 0.00 0.00 175.30 175.25 1xua s VAL 262 N -0.13 1.04 -0.18 7.11 1.01 -1.26 -0.84 120.40 127.15 1xua s VAL 262 Ca -0.02 -1.75 -0.08 0.00 0.00 0.00 0.00 61.98 60.13 1xua s VAL 262 Cb -0.03 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1xua s VAL 262 CO 0.02 -0.74 0.10 -0.70 0.00 0.00 0.00 175.10 173.78 1xua s GLU 263 N 1.24 4.00 -0.05 2.72 2.12 -0.35 -0.31 118.70 128.07 1xua s GLU 263 Ca 0.12 -0.27 0.04 0.00 0.36 0.00 0.00 54.97 55.22 1xua s GLU 263 Cb -0.19 -3.29 -0.00 0.00 0.26 0.00 0.00 34.13 30.90 1xua s GLU 263 CO -0.17 0.34 -0.17 0.08 -0.54 0.00 0.00 175.26 174.80 1xua s VAL 264 N 0.20 1.46 0.12 3.70 1.01 -0.50 -1.38 120.40 125.02 1xua s VAL 264 Ca 0.07 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1xua s VAL 264 Cb -0.12 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1xua s VAL 264 CO -0.00 0.42 0.11 -0.94 0.00 0.00 0.00 175.10 174.68 1xua s SER 265 N 0.17 0.26 -0.08 3.32 1.04 -0.29 -1.00 113.70 117.11 1xua s SER 265 Ca -0.07 -1.06 -0.32 0.00 0.48 0.00 0.00 55.95 54.98 1xua s SER 265 Cb -0.13 0.32 0.12 0.00 0.10 0.00 0.00 66.02 66.43 1xua s SER 265 CO 0.03 -0.75 1.18 -0.83 0.98 0.00 0.00 173.24 173.86 1xua s GLY 266 N -3.00 -0.35 0.66 7.32 0.00 -0.96 -1.30 107.32 109.69 1xua s GLY 266 Ca 0.19 1.08 -0.11 0.00 0.00 0.00 0.00 44.72 45.88 1xua s GLY 266 CO -0.01 0.32 1.06 -1.31 0.00 0.00 0.00 173.10 173.16 1xua s ASN 267 N -2.57 5.81 -0.00 1.64 0.01 -1.26 -1.56 114.94 117.01 1xua s ASN 267 Ca 0.11 1.31 -0.22 0.00 -0.71 0.00 0.00 52.86 53.34 1xua s ASN 267 Cb 0.01 -2.23 0.05 0.00 0.41 0.00 0.00 41.25 39.48 1xua s ASN 267 CO -0.04 -1.13 0.50 -0.83 -1.51 0.00 0.00 177.10 174.09 1xua s GLY 268 N -4.23 -0.37 0.06 0.66 0.00 -1.03 -0.17 107.32 102.24 1xua s GLY 268 Ca 0.57 0.71 0.02 0.00 0.00 0.00 0.00 44.72 46.01 1xua s GLY 268 CO 0.53 0.43 -0.06 -1.34 0.00 0.00 0.00 173.10 172.65 1xua s VAL 269 N -1.71 0.52 -0.07 1.40 -7.23 -0.80 -4.67 120.40 107.84 1xua s VAL 269 Ca -0.10 -1.42 -0.29 0.00 -1.81 0.00 0.00 61.98 58.36 1xua s VAL 269 Cb -0.02 -1.02 -0.02 0.00 0.56 0.00 0.00 36.38 35.88 1xua s VAL 269 CO 0.04 -0.62 0.96 -0.89 -0.31 0.00 0.00 175.10 174.28 1xua s THR 270 N -2.39 4.84 -0.15 5.32 2.01 -1.26 -0.26 115.64 123.75 1xua s THR 270 Ca -0.02 1.97 -0.07 0.00 0.31 0.00 0.00 61.69 63.88 1xua s THR 270 Cb -0.03 -4.28 -0.24 0.00 0.01 0.00 0.00 72.50 67.96 1xua s THR 270 CO -0.02 0.08 0.27 0.33 -0.69 0.00 0.00 174.62 174.59 1xua n PHE 271 N 4.51 1.08 -3.83 4.92 7.35 0.69 -4.85 117.46 127.33 1xua n PHE 271 Ca 0.07 0.25 -0.04 0.00 -0.76 0.00 0.00 57.45 56.96 1xua n PHE 271 Cb 0.50 -1.14 0.01 0.00 0.35 0.00 0.00 39.48 39.20 1xua n PHE 271 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1xua s GLY 272 N -5.63 0.02 -0.17 7.13 0.00 -1.18 -5.00 107.32 102.48 1xua s GLY 272 Ca -0.25 -0.22 -0.18 0.00 0.00 0.00 0.00 44.72 44.07 1xua s GLY 272 CO 0.73 1.19 0.50 1.09 0.00 0.00 0.00 173.10 176.62 1xua s ARG 273 N -2.60 0.62 0.00 2.90 1.70 -1.26 -1.18 118.95 119.13 1xua s ARG 273 Ca 0.17 0.62 0.00 0.00 -0.47 0.00 0.00 55.73 56.06 1xua s ARG 273 Cb -0.02 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 1xua s ARG 273 CO 0.05 -0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.59 1xua n GLY 274 N 2.61 1.89 2.87 3.88 0.00 -0.65 -5.03 105.19 110.76 1xua n GLY 274 Ca -0.14 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1xua n GLY 274 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xua s THR 275 N -2.56 -0.01 0.16 2.61 2.01 -1.26 -0.93 115.64 115.65 1xua s THR 275 Ca 0.00 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.06 1xua s THR 275 Cb 0.00 -0.03 -0.04 0.00 0.01 0.00 0.00 72.50 72.45 1xua s THR 275 CO 0.00 0.01 0.22 0.27 -0.69 0.00 0.00 174.62 174.43 1xua s ILE 276 N 0.11 4.96 -1.80 1.82 -4.36 -0.04 -4.95 121.20 116.95 1xua s ILE 276 Ca -0.01 -0.86 0.28 0.00 -0.26 0.00 0.00 60.65 59.81 1xua s ILE 276 Cb -0.01 -3.55 0.70 0.00 1.25 0.00 0.00 42.46 40.85 1xua s ILE 276 CO -0.00 -0.10 2.02 1.33 0.24 0.00 0.00 174.94 178.43 1xua n VAL 277 N -0.46 0.04 -0.71 8.37 0.24 -1.26 -2.35 118.33 122.20 1xua n VAL 277 Ca -0.08 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1xua n VAL 277 Cb 0.54 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 1xua n VAL 277 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69