#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pg0 s LYS 5 N 0.00 2.41 -0.22 0.00 1.02 -1.26 -4.77 119.74 116.92 1pg0 s LYS 5 Ca 0.00 0.46 -0.04 0.00 0.02 0.00 0.00 55.97 56.41 1pg0 s LYS 5 Cb 0.00 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1pg0 s LYS 5 CO 0.00 -1.35 -0.05 0.15 -0.92 0.00 0.00 175.35 173.18 1pg0 s LYS 6 N -5.32 3.38 -0.03 1.68 1.02 -1.26 -0.85 119.74 118.36 1pg0 s LYS 6 Ca 0.60 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 56.00 1pg0 s LYS 6 Cb -0.12 -2.99 -0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1pg0 s LYS 6 CO 0.52 -0.17 -0.15 0.42 -0.92 0.00 0.00 175.35 175.05 1pg0 s ILE 7 N 1.42 1.21 -0.20 2.17 1.01 0.57 -0.80 121.20 126.57 1pg0 s ILE 7 Ca 0.05 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.11 1pg0 s ILE 7 Cb -0.14 -1.04 0.03 0.00 0.01 0.00 0.00 42.46 41.32 1pg0 s ILE 7 CO -0.03 0.35 -0.18 -0.22 0.00 0.00 0.00 174.94 174.86 1pg0 s LEU 8 N -0.02 2.45 -0.02 2.97 0.20 -0.15 -0.27 118.68 123.84 1pg0 s LEU 8 Ca -0.01 -0.83 0.08 0.00 0.69 0.00 0.00 54.13 54.05 1pg0 s LEU 8 Cb -0.09 -1.50 -0.02 0.00 -0.43 0.00 0.00 46.19 44.15 1pg0 s LEU 8 CO 0.01 -0.05 -0.25 -0.69 -0.29 0.00 0.00 176.35 175.08 1pg0 s VAL 9 N 1.24 2.01 0.22 1.68 1.01 0.51 -1.13 120.40 125.94 1pg0 s VAL 9 Ca 0.02 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 60.95 1pg0 s VAL 9 Cb -0.15 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1pg0 s VAL 9 CO -0.11 0.57 -0.01 0.42 0.00 0.00 0.00 175.10 175.96 1pg0 s THR 10 N -0.54 1.03 0.19 3.92 -4.23 -0.57 -0.67 115.64 114.77 1pg0 s THR 10 Ca 0.08 -2.03 0.11 0.00 -1.18 0.00 0.00 61.69 58.67 1pg0 s THR 10 Cb -0.10 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 1pg0 s THR 10 CO -0.00 -0.37 -0.24 0.00 -0.54 0.00 0.00 174.62 173.47 1pg0 n ALA 12 N 0.31 0.06 -2.59 0.00 0.00 -0.99 -4.80 120.51 112.51 1pg0 n ALA 12 Ca -0.13 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 1pg0 n ALA 12 Cb 0.56 -2.17 -0.04 0.00 0.00 0.00 0.00 19.45 17.80 1pg0 n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pg0 s LEU 13 N -3.51 4.01 0.36 0.00 1.43 -1.26 -4.82 118.68 114.89 1pg0 s LEU 13 Ca 0.75 0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 53.93 1pg0 s LEU 13 Cb -0.35 -3.22 -0.11 0.00 0.03 0.00 0.00 46.19 42.54 1pg0 s LEU 13 CO 0.48 -0.93 1.49 -2.65 0.23 0.00 0.00 176.35 174.97 1pg0 n PRO 14 N 6.92 2.63 -2.16 1.29 -0.02 -1.23 -4.13 135.00 138.30 1pg0 n PRO 14 Ca 0.06 0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 62.06 1pg0 n PRO 14 Cb 0.48 -2.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 1pg0 n PRO 14 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1pg0 s TYR 15 N -0.92 3.08 -0.04 6.00 2.02 -1.26 0.08 117.35 126.31 1pg0 s TYR 15 Ca 0.55 1.46 0.00 0.00 -0.37 0.00 0.00 57.07 58.71 1pg0 s TYR 15 Cb -0.49 -3.62 0.06 0.00 -0.40 0.00 0.00 41.96 37.52 1pg0 s TYR 15 CO 0.61 -1.70 1.13 0.00 -1.57 0.00 0.00 175.55 174.02 1pg0 n ALA 16 N 0.71 2.86 -1.24 3.71 0.00 -0.64 -3.86 120.51 122.04 1pg0 n ALA 16 Ca 0.01 -0.28 0.08 0.00 0.00 0.00 0.00 53.44 53.25 1pg0 n ALA 16 Cb 0.43 -1.04 0.12 0.00 0.00 0.00 0.00 19.45 18.96 1pg0 n ALA 16 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pg0 n ASN 17 N 0.39 1.99 -3.53 0.00 0.23 -1.26 -4.71 115.26 108.36 1pg0 n ASN 17 Ca 0.06 -2.98 -0.07 0.00 -0.53 0.00 0.00 54.58 51.06 1pg0 n ASN 17 Cb 0.61 -0.40 -0.02 0.00 -2.08 0.00 0.00 39.78 37.88 1pg0 n ASN 17 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1pg0 s GLY 18 N -2.64 -0.41 0.59 4.83 0.00 -1.25 -5.13 107.32 103.31 1pg0 s GLY 18 Ca 0.28 1.19 -0.15 0.00 0.00 0.00 0.00 44.72 46.04 1pg0 s GLY 18 CO 0.02 0.39 1.04 -0.56 0.00 0.00 0.00 173.10 173.99 1pg0 s SER 19 N -2.39 5.97 0.18 1.64 0.01 -1.26 -4.95 113.70 112.90 1pg0 s SER 19 Ca 0.06 1.67 -0.30 0.00 1.31 0.00 0.00 55.95 58.70 1pg0 s SER 19 Cb -0.01 -2.51 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 1pg0 s SER 19 CO -0.08 -1.04 1.12 -0.63 0.41 0.00 0.00 173.24 173.03 1pg0 s ILE 20 N -2.68 3.80 0.50 1.44 -1.09 -1.26 -4.98 121.20 116.93 1pg0 s ILE 20 Ca 0.60 1.55 0.01 0.00 -2.23 0.00 0.00 60.65 60.59 1pg0 s ILE 20 Cb -0.13 -3.99 -0.01 0.00 -1.58 0.00 0.00 42.46 36.74 1pg0 s ILE 20 CO 0.41 0.26 0.02 -1.38 -1.23 0.00 0.00 174.94 173.02 1pg0 s HIS 21 N -0.21 1.83 0.56 3.97 -3.43 -1.26 -0.93 115.29 115.81 1pg0 s HIS 21 Ca 0.50 -1.01 0.41 0.00 -0.80 0.00 0.00 55.06 54.15 1pg0 s HIS 21 Cb -0.30 -1.55 2.15 0.00 -1.43 0.00 0.00 32.58 31.45 1pg0 s HIS 21 CO 0.35 0.15 2.28 -0.07 -2.00 0.00 0.00 174.74 175.46 1pg0 h LEU 22 N 1.38 0.00 -0.14 5.38 3.38 -1.36 -1.58 115.31 122.38 1pg0 h LEU 22 Ca -0.43 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1pg0 h LEU 22 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1pg0 h LEU 22 CO 0.72 0.01 -0.08 1.23 0.09 0.00 0.00 178.44 180.41 1pg0 h GLY 23 N 0.38 0.32 1.21 0.83 0.00 -1.92 -2.72 103.07 101.17 1pg0 h GLY 23 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1pg0 h GLY 23 CO 0.00 0.27 0.44 0.45 0.00 0.00 0.00 176.54 177.70 1pg0 h HIS 24 N -0.05 1.02 0.00 5.60 3.86 -1.71 -2.85 115.15 121.02 1pg0 h HIS 24 Ca 0.03 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1pg0 h HIS 24 Cb 0.56 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1pg0 h HIS 24 CO 0.07 0.69 -0.19 0.52 0.86 0.00 0.00 177.93 179.88 1pg0 h MET 25 N 1.06 0.00 -0.23 2.45 2.07 -1.21 -2.48 114.93 116.59 1pg0 h MET 25 Ca 0.27 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.90 1pg0 h MET 25 Cb -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 1pg0 h MET 25 CO -0.05 0.19 0.15 1.25 1.07 0.00 0.00 176.91 179.53 1pg0 h LEU 26 N 0.00 0.27 0.00 1.22 5.85 -1.23 0.41 115.31 121.83 1pg0 h LEU 26 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1pg0 h LEU 26 Cb 0.38 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1pg0 h LEU 26 CO 0.02 0.20 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.23 1pg0 h GLU 27 N 0.31 -0.04 -0.28 1.25 4.81 -1.55 0.08 114.58 119.17 1pg0 h GLU 27 Ca 0.08 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 1pg0 h GLU 27 Cb -0.03 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1pg0 h GLU 27 CO -0.02 -0.02 -0.30 0.45 -0.73 0.00 0.00 179.01 178.39 1pg0 h HIS 28 N -0.04 0.66 -0.22 0.92 3.86 -1.38 -1.72 115.15 117.22 1pg0 h HIS 28 Ca 0.01 -0.16 -0.11 0.00 -1.16 0.00 0.00 60.37 58.94 1pg0 h HIS 28 Cb 0.05 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 1pg0 h HIS 28 CO -0.10 0.81 -0.31 0.82 0.86 0.00 0.00 177.93 180.02 1pg0 h ILE 29 N 0.50 1.32 -0.43 2.45 2.04 -0.81 0.47 117.51 123.04 1pg0 h ILE 29 Ca 0.06 -1.51 0.01 0.00 1.00 0.00 0.00 64.86 64.42 1pg0 h ILE 29 Cb 0.77 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1pg0 h ILE 29 CO 0.06 0.47 0.28 -0.61 0.00 0.00 0.00 178.15 178.35 1pg0 h GLN 30 N 0.30 0.56 -0.37 2.37 4.15 -0.86 -1.32 115.11 119.95 1pg0 h GLN 30 Ca 0.02 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 1pg0 h GLN 30 Cb 0.89 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 1pg0 h GLN 30 CO 0.07 0.37 0.10 0.00 -1.93 0.00 0.00 178.83 177.44 1pg0 h ALA 31 N 1.17 0.48 -0.75 3.38 0.00 -1.28 -2.65 119.26 119.61 1pg0 h ALA 31 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1pg0 h ALA 31 Cb -0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1pg0 h ALA 31 CO -0.04 0.15 0.36 0.22 0.00 0.00 0.00 179.25 179.94 1pg0 h ASP 32 N 0.45 0.98 -0.37 0.00 3.58 -0.60 0.74 116.42 121.18 1pg0 h ASP 32 Ca 0.12 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1pg0 h ASP 32 Cb 0.29 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1pg0 h ASP 32 CO -0.00 0.82 0.10 0.58 -2.88 0.00 0.00 179.24 177.86 1pg0 h VAL 33 N 1.07 1.22 -0.34 2.25 2.07 -1.17 0.12 116.25 121.48 1pg0 h VAL 33 Ca 0.26 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1pg0 h VAL 33 Cb 0.11 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1pg0 h VAL 33 CO -0.03 0.26 0.14 -0.25 0.02 0.00 0.00 177.57 177.70 1pg0 h TRP 34 N 0.46 0.51 -0.21 1.57 7.01 -1.10 -1.49 115.95 122.69 1pg0 h TRP 34 Ca 0.12 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1pg0 h TRP 34 Cb 0.29 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 1pg0 h TRP 34 CO 0.01 0.48 0.10 0.28 -2.79 0.00 0.00 178.44 176.52 1pg0 h VAL 35 N 0.40 0.99 -0.69 2.65 2.07 -0.67 -0.86 116.25 120.13 1pg0 h VAL 35 Ca 0.11 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1pg0 h VAL 35 Cb 0.18 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1pg0 h VAL 35 CO -0.01 0.04 0.37 0.03 0.02 0.00 0.00 177.57 178.02 1pg0 h ARG 36 N 0.22 0.96 -0.30 1.57 3.08 -0.64 -1.41 114.38 117.86 1pg0 h ARG 36 Ca 0.09 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1pg0 h ARG 36 Cb 0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1pg0 h ARG 36 CO -0.06 0.72 0.09 -0.92 -1.07 0.00 0.00 179.97 178.73 1pg0 h TYR 37 N 0.97 0.49 -0.98 3.04 3.20 -0.75 -1.78 116.97 121.16 1pg0 h TYR 37 Ca 0.24 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.09 1pg0 h TYR 37 Cb 0.05 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 1pg0 h TYR 37 CO 0.01 0.51 0.65 1.96 -1.64 0.00 0.00 178.16 179.64 1pg0 h GLN 38 N 0.32 1.23 -0.45 1.82 1.08 -0.60 -1.62 115.11 116.89 1pg0 h GLN 38 Ca 0.10 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.12 1pg0 h GLN 38 Cb 0.26 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1pg0 h GLN 38 CO -0.00 0.81 -0.11 0.00 -0.95 0.00 0.00 178.83 178.58 1pg0 h ARG 39 N 1.27 0.83 0.00 1.46 3.08 -1.11 -2.52 114.38 117.39 1pg0 h ARG 39 Ca 0.38 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1pg0 h ARG 39 Cb -0.04 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1pg0 h ARG 39 CO -0.11 0.90 -0.09 0.52 -1.07 0.00 0.00 179.97 180.12 1pg0 h MET 40 N 0.75 0.00 -0.16 0.04 2.86 -0.41 -0.97 114.93 117.04 1pg0 h MET 40 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1pg0 h MET 40 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1pg0 h MET 40 CO 0.04 0.09 0.00 0.54 1.06 0.00 0.00 176.91 178.64 1pg0 n ARG 41 N -4.33 1.48 -0.66 1.72 5.12 -0.86 -4.45 116.66 114.68 1pg0 n ARG 41 Ca -0.03 -0.73 0.00 0.00 -1.93 0.00 0.00 57.85 55.17 1pg0 n ARG 41 Cb 0.17 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 1pg0 n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pg0 n GLY 42 N 0.93 0.75 3.86 -0.13 0.00 -0.37 -4.95 105.19 105.29 1pg0 n GLY 42 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1pg0 n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pg0 s HIS 43 N -2.69 3.50 -0.38 1.61 3.76 -1.12 -4.81 115.29 115.17 1pg0 s HIS 43 Ca 0.00 1.34 -0.25 0.00 -0.15 0.00 0.00 55.06 56.00 1pg0 s HIS 43 Cb 0.00 -2.76 0.01 0.00 1.11 0.00 0.00 32.58 30.94 1pg0 s HIS 43 CO 0.00 -0.75 0.88 -2.00 -0.85 0.00 0.00 174.74 172.02 1pg0 s GLU 44 N -4.98 3.78 -0.05 1.40 2.12 -0.03 -4.60 118.70 116.34 1pg0 s GLU 44 Ca 0.56 0.44 0.06 0.00 0.36 0.00 0.00 54.97 56.40 1pg0 s GLU 44 Cb -0.11 -3.82 -0.01 0.00 0.26 0.00 0.00 34.13 30.44 1pg0 s GLU 44 CO 0.51 -0.95 -0.25 0.08 -0.54 0.00 0.00 175.26 174.11 1pg0 s VAL 45 N 3.39 2.10 -0.27 3.70 1.01 -1.26 -0.31 120.40 128.75 1pg0 s VAL 45 Ca 0.36 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1pg0 s VAL 45 Cb -0.12 -1.75 0.07 0.00 0.00 0.00 0.00 36.38 34.58 1pg0 s VAL 45 CO 0.19 0.57 -0.03 0.20 0.00 0.00 0.00 175.10 176.03 1pg0 s ASN 46 N -0.27 4.18 -0.38 3.32 0.01 0.63 -4.98 114.94 117.45 1pg0 s ASN 46 Ca -0.00 -1.47 -0.14 0.00 -0.71 0.00 0.00 52.86 50.53 1pg0 s ASN 46 Cb -0.13 -1.32 0.01 0.00 0.41 0.00 0.00 41.25 40.22 1pg0 s ASN 46 CO 0.03 -0.27 0.28 0.12 -1.51 0.00 0.00 177.10 175.74 1pg0 s PHE 47 N 1.25 3.24 0.08 2.20 5.36 -1.26 -0.36 117.98 128.49 1pg0 s PHE 47 Ca -0.01 -0.45 0.08 0.00 -0.96 0.00 0.00 56.93 55.58 1pg0 s PHE 47 Cb -0.19 -2.55 -0.03 0.00 -0.34 0.00 0.00 43.02 39.91 1pg0 s PHE 47 CO -0.08 -0.51 -0.22 0.42 -1.46 0.00 0.00 175.22 173.37 1pg0 s ILE 48 N 1.69 1.79 0.24 3.12 1.09 0.15 0.44 121.20 129.73 1pg0 s ILE 48 Ca 0.05 -1.42 -0.07 0.00 -1.10 0.00 0.00 60.65 58.11 1pg0 s ILE 48 Cb -0.18 -1.59 0.03 0.00 -1.06 0.00 0.00 42.46 39.66 1pg0 s ILE 48 CO 0.10 0.09 0.45 0.00 -0.10 0.00 0.00 174.94 175.49 1pg0 n ALA 50 N -1.48 0.00 -1.90 0.00 0.00 -1.26 -1.08 120.51 114.79 1pg0 n ALA 50 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 1pg0 n ALA 50 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 1pg0 n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pg0 s ASP 51 N 0.00 7.32 -0.63 0.00 1.11 -1.06 -3.53 116.67 119.87 1pg0 s ASP 51 Ca 0.00 1.70 -0.21 0.00 0.18 0.00 0.00 52.55 54.23 1pg0 s ASP 51 Cb 0.00 -2.53 0.09 0.00 1.07 0.00 0.00 42.92 41.55 1pg0 s ASP 51 CO 0.00 0.05 0.85 -0.62 1.18 0.00 0.00 175.17 176.63 1pg0 s ASP 52 N -1.46 6.18 0.00 0.27 -1.08 0.11 -1.58 116.67 119.11 1pg0 s ASP 52 Ca 0.44 -1.20 0.23 0.00 -0.52 0.00 0.00 52.55 51.50 1pg0 s ASP 52 Cb -0.20 -2.37 0.48 0.00 -1.46 0.00 0.00 42.92 39.37 1pg0 s ASP 52 CO 0.25 -1.30 1.44 0.00 0.52 0.00 0.00 175.17 176.08 1pg0 n ALA 53 N 7.09 2.41 -2.23 3.66 0.00 -1.26 -1.62 120.51 128.56 1pg0 n ALA 53 Ca -0.06 -1.06 -0.22 0.00 0.00 0.00 0.00 53.44 52.10 1pg0 n ALA 53 Cb 0.44 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 19.01 1pg0 n ALA 53 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1pg0 s HIS 54 N -1.40 1.87 0.00 0.00 3.76 -1.26 -4.93 115.29 113.33 1pg0 s HIS 54 Ca 0.41 -0.70 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 1pg0 s HIS 54 Cb 0.24 -2.09 0.00 0.00 1.11 0.00 0.00 32.58 31.84 1pg0 s HIS 54 CO 0.32 -0.60 0.00 0.41 -0.85 0.00 0.00 174.74 174.02 1pg0 n GLY 55 N -1.86 2.99 0.24 -2.22 0.00 -0.57 -4.74 105.19 99.03 1pg0 n GLY 55 Ca 0.05 -1.62 0.01 0.00 0.00 0.00 0.00 46.02 44.47 1pg0 n GLY 55 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pg0 h THR 56 N 0.00 0.52 -0.56 2.61 2.02 -1.94 -2.25 112.91 113.32 1pg0 h THR 56 Ca 0.00 -0.05 0.11 0.00 0.77 0.00 0.00 66.41 67.24 1pg0 h THR 56 Cb 0.00 0.35 -0.11 0.00 -1.74 0.00 0.00 68.15 66.65 1pg0 h THR 56 CO 0.00 0.03 -0.22 1.55 0.37 0.00 0.00 175.52 177.25 1pg0 h PRO 57 N 0.15 -0.08 -0.53 6.66 0.13 -1.99 -0.47 132.00 135.87 1pg0 h PRO 57 Ca 0.33 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.47 1pg0 h PRO 57 Cb 0.54 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.66 1pg0 h PRO 57 CO -0.51 -0.05 0.33 0.82 -0.23 0.00 0.00 178.00 178.36 1pg0 h ILE 58 N -0.08 1.15 -0.86 -3.56 2.04 -1.71 -0.68 117.51 113.81 1pg0 h ILE 58 Ca 0.26 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.88 1pg0 h ILE 58 Cb 0.48 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 1pg0 h ILE 58 CO -0.62 0.15 0.52 -0.03 0.00 0.00 0.00 178.15 178.17 1pg0 h MET 59 N 0.71 0.88 0.04 2.37 4.05 -0.70 -1.21 114.93 121.07 1pg0 h MET 59 Ca 0.19 -0.05 -0.24 0.00 -0.28 0.00 0.00 59.70 59.32 1pg0 h MET 59 Cb -0.04 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.57 1pg0 h MET 59 CO -0.04 0.58 -1.03 -0.07 0.23 0.00 0.00 176.91 176.59 1pg0 h LEU 60 N 0.90 0.52 -0.89 3.39 3.38 -0.84 -2.95 115.31 118.81 1pg0 h LEU 60 Ca 0.39 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1pg0 h LEU 60 Cb 0.27 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1pg0 h LEU 60 CO -0.21 1.27 0.24 0.50 0.09 0.00 0.00 178.44 180.33 1pg0 h LYS 61 N 0.19 1.05 -0.28 1.13 3.64 -0.70 -2.04 116.57 119.56 1pg0 h LYS 61 Ca -0.10 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1pg0 h LYS 61 Cb 1.68 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.33 1pg0 h LYS 61 CO 0.18 0.88 0.13 0.00 -2.27 0.00 0.00 179.45 178.37 1pg0 h ALA 62 N 1.24 0.36 -0.92 5.00 0.00 -1.26 -2.73 119.26 120.95 1pg0 h ALA 62 Ca 0.23 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1pg0 h ALA 62 Cb 0.25 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1pg0 h ALA 62 CO -0.01 -0.08 0.56 1.96 0.00 0.00 0.00 179.25 181.67 1pg0 h GLN 63 N 0.31 0.87 0.00 0.00 4.20 -1.28 -1.09 115.11 118.12 1pg0 h GLN 63 Ca 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1pg0 h GLN 63 Cb 0.12 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1pg0 h GLN 63 CO -0.01 0.58 0.00 1.04 -0.67 0.00 0.00 178.83 179.77 1pg0 n GLN 64 N -4.68 0.00 0.00 1.46 6.02 -0.81 -2.08 117.38 117.29 1pg0 n GLN 64 Ca 0.16 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 1pg0 n GLN 64 Cb 0.32 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1pg0 n GLN 64 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pg0 n LEU 65 N -2.08 0.00 -0.31 1.08 4.77 -1.10 -4.71 117.00 114.66 1pg0 n LEU 65 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1pg0 n LEU 65 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1pg0 n LEU 65 CO 0.00 0.00 -0.04 0.61 -1.33 0.00 0.00 177.39 176.63 1pg0 n GLY 66 N -0.84 0.58 3.55 -0.72 0.00 -0.89 -4.99 105.19 101.89 1pg0 n GLY 66 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1pg0 n GLY 66 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pg0 s ILE 67 N -1.78 3.50 0.56 -0.61 -4.36 -0.45 -4.99 121.20 113.07 1pg0 s ILE 67 Ca 0.00 -0.60 -0.20 0.00 -0.26 0.00 0.00 60.65 59.59 1pg0 s ILE 67 Cb 0.00 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.24 1pg0 s ILE 67 CO 0.00 0.56 1.22 0.42 0.24 0.00 0.00 174.94 177.39 1pg0 s THR 68 N -0.82 2.64 0.35 8.37 -4.23 -1.26 -3.68 115.64 117.01 1pg0 s THR 68 Ca 0.13 0.42 0.08 0.00 -1.18 0.00 0.00 61.69 61.14 1pg0 s THR 68 Cb -0.11 -3.19 0.32 0.00 1.34 0.00 0.00 72.50 70.86 1pg0 s THR 68 CO 0.02 -0.06 1.88 -0.65 -0.54 0.00 0.00 174.62 175.27 1pg0 h PRO 69 N 1.17 0.71 -0.81 3.99 0.11 -1.88 0.22 132.00 135.51 1pg0 h PRO 69 Ca -0.50 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.63 1pg0 h PRO 69 Cb 1.29 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1pg0 h PRO 69 CO 0.56 0.47 0.53 0.93 -0.21 0.00 0.00 178.00 180.28 1pg0 h GLU 70 N 0.73 0.83 -0.06 1.05 3.07 -1.98 0.75 114.58 118.96 1pg0 h GLU 70 Ca 0.43 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 59.08 1pg0 h GLU 70 Cb 0.63 -0.19 0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1pg0 h GLU 70 CO -0.19 0.55 -0.58 0.37 -1.40 0.00 0.00 179.01 177.75 1pg0 h GLN 71 N 0.86 0.51 -0.19 2.33 4.15 -0.98 -2.80 115.11 118.99 1pg0 h GLN 71 Ca 0.35 -0.46 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 1pg0 h GLN 71 Cb 0.27 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1pg0 h GLN 71 CO -0.13 1.10 0.03 1.98 -1.93 0.00 0.00 178.83 179.88 1pg0 h MET 72 N 0.08 0.32 0.00 1.69 4.05 -0.61 -2.22 114.93 118.23 1pg0 h MET 72 Ca -0.06 -0.09 -0.05 0.00 -0.28 0.00 0.00 59.70 59.23 1pg0 h MET 72 Cb 1.25 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.01 1pg0 h MET 72 CO 0.12 0.48 -0.22 -0.84 0.23 0.00 0.00 176.91 176.68 1pg0 h ILE 73 N 0.10 0.81 -0.29 1.77 3.07 -0.99 -0.07 117.51 121.92 1pg0 h ILE 73 Ca 0.06 -0.87 -0.15 0.00 1.55 0.00 0.00 64.86 65.44 1pg0 h ILE 73 Cb 0.32 1.53 -0.00 0.00 -0.27 0.00 0.00 36.82 38.39 1pg0 h ILE 73 CO 0.00 0.22 -0.39 1.23 -1.05 0.00 0.00 178.15 178.16 1pg0 h GLY 74 N 1.13 0.86 1.20 0.16 0.00 -1.29 -0.66 103.07 104.46 1pg0 h GLY 74 Ca -0.00 -0.93 -0.19 0.00 0.00 0.00 0.00 47.33 46.20 1pg0 h GLY 74 CO 0.03 0.84 -0.59 0.83 0.00 0.00 0.00 176.54 177.65 1pg0 h GLU 75 N 0.55 0.83 -0.62 4.80 5.08 -0.96 -2.89 114.58 121.36 1pg0 h GLU 75 Ca 0.03 -0.55 -0.09 0.00 -1.00 0.00 0.00 59.36 57.75 1pg0 h GLU 75 Cb 0.98 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1pg0 h GLU 75 CO 0.09 1.18 0.04 0.52 -1.00 0.00 0.00 179.01 179.85 1pg0 h MET 76 N 0.63 1.06 -0.67 2.33 2.86 -1.00 -1.74 114.93 118.40 1pg0 h MET 76 Ca 0.00 -0.31 0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1pg0 h MET 76 Cb 1.20 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 1pg0 h MET 76 CO 0.13 1.01 0.44 1.03 1.06 0.00 0.00 176.91 180.57 1pg0 h SER 77 N 0.98 0.78 -0.48 1.22 0.87 -1.08 0.39 113.55 116.22 1pg0 h SER 77 Ca 0.18 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 1pg0 h SER 77 Cb 0.50 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1pg0 h SER 77 CO 0.02 0.57 -0.08 1.56 -0.53 0.00 0.00 176.83 178.37 1pg0 h GLN 78 N 0.91 0.90 -0.29 2.24 1.08 -1.30 -1.66 115.11 116.98 1pg0 h GLN 78 Ca 0.24 -0.33 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1pg0 h GLN 78 Cb -0.09 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 1pg0 h GLN 78 CO -0.05 0.97 0.11 1.49 -0.95 0.00 0.00 178.83 180.41 1pg0 h GLU 79 N 0.75 0.44 -0.32 1.46 4.81 -0.98 -1.20 114.58 119.55 1pg0 h GLU 79 Ca 0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1pg0 h GLU 79 Cb 0.62 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1pg0 h GLU 79 CO 0.04 0.46 0.20 0.45 -0.73 0.00 0.00 179.01 179.43 1pg0 h HIS 80 N 0.32 0.41 -0.16 0.92 3.86 -0.86 -2.35 115.15 117.30 1pg0 h HIS 80 Ca 0.10 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 1pg0 h HIS 80 Cb 0.19 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1pg0 h HIS 80 CO -0.01 0.28 -0.27 1.96 0.86 0.00 0.00 177.93 180.76 1pg0 h GLN 81 N 0.42 0.29 -0.66 2.45 4.20 -1.21 -1.33 115.11 119.27 1pg0 h GLN 81 Ca 0.11 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1pg0 h GLN 81 Cb -0.02 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1pg0 h GLN 81 CO -0.02 0.54 0.11 1.15 -0.67 0.00 0.00 178.83 179.93 1pg0 h THR 82 N 0.26 1.26 -0.20 -0.54 2.02 -0.93 -0.72 112.91 114.06 1pg0 h THR 82 Ca 0.04 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.12 1pg0 h THR 82 Cb 0.61 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1pg0 h THR 82 CO 0.04 0.38 -0.16 0.44 0.37 0.00 0.00 175.52 176.60 1pg0 h ASP 83 N 1.01 0.49 -0.82 4.18 3.45 -1.04 -1.61 116.42 122.09 1pg0 h ASP 83 Ca 0.20 -0.45 -0.04 0.00 0.43 0.00 0.00 57.03 57.17 1pg0 h ASP 83 Cb 0.43 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 39.03 1pg0 h ASP 83 CO 0.01 0.84 0.37 -0.26 -1.57 0.00 0.00 179.24 178.63 1pg0 h PHE 84 N 0.14 1.21 -0.23 4.55 0.05 -1.14 -1.39 116.94 120.14 1pg0 h PHE 84 Ca 0.04 -0.07 -0.04 0.00 3.82 0.00 0.00 57.97 61.71 1pg0 h PHE 84 Cb 0.69 -0.37 -0.01 0.00 2.00 0.00 0.00 35.95 38.25 1pg0 h PHE 84 CO 0.07 0.89 -0.04 0.00 -0.18 0.00 0.00 178.31 179.05 1pg0 h ALA 85 N 1.20 1.51 0.00 2.45 0.00 -1.07 -1.56 119.26 121.79 1pg0 h ALA 85 Ca 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pg0 h ALA 85 Cb 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pg0 h ALA 85 CO -0.03 0.35 -0.15 0.78 0.00 0.00 0.00 179.25 180.20 1pg0 h GLY 86 N 0.71 0.00 -2.45 0.00 0.00 -0.24 -1.61 103.07 99.49 1pg0 h GLY 86 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1pg0 h GLY 86 CO 0.01 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.24 1pg0 n PHE 87 N -3.53 0.68 -3.55 5.60 3.01 -0.66 -4.63 117.46 114.40 1pg0 n PHE 87 Ca -0.01 -0.35 -0.21 0.00 1.01 0.00 0.00 57.45 57.89 1pg0 n PHE 87 Cb 0.30 -0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.85 1pg0 n PHE 87 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1pg0 n ASN 88 N 1.54 -3.71 -4.59 4.37 3.02 -0.61 -4.94 115.26 110.35 1pg0 n ASN 88 Ca 0.21 -0.62 -0.43 0.00 -0.03 0.00 0.00 54.58 53.71 1pg0 n ASN 88 Cb 0.61 -4.92 -0.03 0.00 -0.61 0.00 0.00 39.78 34.82 1pg0 n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pg0 s ILE 89 N -3.37 4.45 -0.01 2.41 -1.09 -0.78 -4.94 121.20 117.87 1pg0 s ILE 89 Ca 0.26 1.03 -0.05 0.00 -2.23 0.00 0.00 60.65 59.66 1pg0 s ILE 89 Cb -0.11 -4.44 -0.22 0.00 -1.58 0.00 0.00 42.46 36.10 1pg0 s ILE 89 CO 0.74 -0.77 3.10 -1.54 -1.23 0.00 0.00 174.94 175.25 1pg0 n SER 90 N 7.19 4.38 -4.75 3.58 3.41 -1.26 -4.71 113.62 121.44 1pg0 n SER 90 Ca 0.08 -2.32 -0.38 0.00 -0.26 0.00 0.00 58.87 55.99 1pg0 n SER 90 Cb 0.48 -1.18 0.03 0.00 -0.26 0.00 0.00 64.21 63.29 1pg0 n SER 90 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1pg0 s TYR 91 N 1.34 2.36 -0.26 7.33 1.51 -1.26 -4.80 117.35 123.57 1pg0 s TYR 91 Ca 0.56 1.40 0.23 0.00 -1.01 0.00 0.00 57.07 58.24 1pg0 s TYR 91 Cb 0.27 -3.73 0.05 0.00 -0.11 0.00 0.00 41.96 38.43 1pg0 s TYR 91 CO -0.00 -2.70 1.12 -0.44 -1.11 0.00 0.00 175.55 172.42 1pg0 h ASP 92 N 1.51 0.00 -3.28 2.29 3.32 -0.39 -3.47 116.42 116.40 1pg0 h ASP 92 Ca -0.51 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.57 1pg0 h ASP 92 Cb 1.29 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.61 1pg0 h ASP 92 CO 0.57 0.01 0.23 0.21 -1.72 0.00 0.00 179.24 178.55 1pg0 s ASN 93 N -5.49 -0.68 -0.21 6.45 3.04 -1.16 -5.02 114.94 111.88 1pg0 s ASN 93 Ca 0.01 1.20 -0.00 0.00 0.04 0.00 0.00 52.86 54.10 1pg0 s ASN 93 Cb 0.09 1.24 0.06 0.00 -1.54 0.00 0.00 41.25 41.10 1pg0 s ASN 93 CO 0.77 -0.20 -0.03 -0.47 -3.04 0.00 0.00 177.10 174.13 1pg0 s TYR 94 N 0.82 1.94 0.00 0.43 5.04 -1.26 -1.75 117.35 122.57 1pg0 s TYR 94 Ca -0.03 -1.43 0.00 0.00 -2.44 0.00 0.00 57.07 53.17 1pg0 s TYR 94 Cb -0.05 -1.40 0.00 0.00 0.35 0.00 0.00 41.96 40.87 1pg0 s TYR 94 CO -0.09 -0.71 0.00 1.58 -1.34 0.00 0.00 175.55 174.99 1pg0 n HIS 95 N 4.80 0.00 -3.66 4.97 -0.00 -0.24 -4.89 115.22 116.20 1pg0 n HIS 95 Ca -0.11 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 57.92 1pg0 n HIS 95 Cb 0.45 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.25 1pg0 n HIS 95 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1pg0 s SER 96 N 0.27 -0.44 0.32 0.26 0.15 -1.26 -2.57 113.70 110.44 1pg0 s SER 96 Ca 0.00 0.52 0.26 0.00 0.70 0.00 0.00 55.95 57.44 1pg0 s SER 96 Cb 0.00 0.56 0.93 0.00 -1.71 0.00 0.00 66.02 65.80 1pg0 s SER 96 CO 0.00 -0.45 1.77 0.71 1.20 0.00 0.00 173.24 176.47 1pg0 h THR 97 N 3.65 0.00 -3.48 6.45 1.35 -1.64 -3.33 112.91 115.91 1pg0 h THR 97 Ca -0.28 -0.45 -0.80 0.00 -0.55 0.00 0.00 66.41 64.33 1pg0 h THR 97 Cb 1.16 1.34 -0.27 0.00 -1.73 0.00 0.00 68.15 68.65 1pg0 h THR 97 CO 0.35 0.00 0.50 -2.28 -0.25 0.00 0.00 175.52 173.84 1pg0 s HIS 98 N -3.31 4.22 0.17 4.73 5.65 -1.26 -4.68 115.29 120.81 1pg0 s HIS 98 Ca 0.06 -2.65 -0.10 0.00 0.25 0.00 0.00 55.06 52.62 1pg0 s HIS 98 Cb 0.10 -3.87 -0.00 0.00 -1.18 0.00 0.00 32.58 27.62 1pg0 s HIS 98 CO 0.51 -0.98 0.33 -1.54 -0.65 0.00 0.00 174.74 172.41 1pg0 s SER 99 N 1.43 -0.01 0.22 9.88 1.04 -1.25 -5.04 113.70 119.97 1pg0 s SER 99 Ca 0.31 -0.81 0.01 0.00 0.48 0.00 0.00 55.95 55.94 1pg0 s SER 99 Cb -0.10 0.46 0.22 0.00 0.10 0.00 0.00 66.02 66.70 1pg0 s SER 99 CO -0.08 -0.92 1.56 -0.08 0.98 0.00 0.00 173.24 174.70 1pg0 h GLU 100 N 2.48 0.42 -0.52 4.02 4.57 -1.92 -1.16 114.58 122.47 1pg0 h GLU 100 Ca -0.31 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 57.61 1pg0 h GLU 100 Cb 1.23 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 1pg0 h GLU 100 CO 0.46 0.84 0.31 0.93 -1.18 0.00 0.00 179.01 180.37 1pg0 h GLU 101 N 0.33 0.70 -0.07 1.92 3.07 -1.95 -0.71 114.58 117.88 1pg0 h GLU 101 Ca 0.01 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 58.64 1pg0 h GLU 101 Cb 1.03 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.78 1pg0 h GLU 101 CO 0.09 0.52 -0.67 -0.97 -1.40 0.00 0.00 179.01 176.58 1pg0 h ASN 102 N 0.69 0.34 -0.07 1.42 -0.00 -1.81 -1.92 115.58 114.24 1pg0 h ASN 102 Ca 0.18 -0.21 -0.00 0.00 -0.00 0.00 0.00 56.30 56.27 1pg0 h ASN 102 Cb -0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 38.32 38.21 1pg0 h ASN 102 CO -0.03 0.92 0.03 -0.09 -0.00 0.00 0.00 177.43 178.26 1pg0 h ARG 103 N 0.21 0.10 -0.64 6.67 2.43 -0.86 0.03 114.38 122.32 1pg0 h ARG 103 Ca -0.02 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1pg0 h ARG 103 Cb 1.22 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 1pg0 h ARG 103 CO 0.11 0.19 0.29 1.96 -1.51 0.00 0.00 179.97 181.00 1pg0 h GLN 104 N -0.01 0.93 -0.11 0.20 4.20 -1.10 -2.00 115.11 117.22 1pg0 h GLN 104 Ca 0.02 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.45 1pg0 h GLN 104 Cb 0.12 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1pg0 h GLN 104 CO -0.00 0.76 -0.51 -0.07 -0.67 0.00 0.00 178.83 178.34 1pg0 h LEU 105 N 0.88 0.32 -0.48 1.46 3.38 -1.27 -0.03 115.31 119.58 1pg0 h LEU 105 Ca 0.22 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1pg0 h LEU 105 Cb 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1pg0 h LEU 105 CO -0.02 0.78 -0.11 0.28 0.09 0.00 0.00 178.44 179.46 1pg0 h SER 106 N 0.24 0.92 -0.43 -0.43 0.02 -0.78 -1.10 113.55 111.98 1pg0 h SER 106 Ca 0.01 -0.36 -0.14 0.00 -0.84 0.00 0.00 61.79 60.46 1pg0 h SER 106 Cb 0.98 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1pg0 h SER 106 CO 0.08 1.06 -0.28 -0.33 -1.14 0.00 0.00 176.83 176.22 1pg0 h GLU 107 N 0.76 0.96 -0.33 3.45 5.08 -1.23 -0.98 114.58 122.28 1pg0 h GLU 107 Ca 0.12 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1pg0 h GLU 107 Cb 0.66 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1pg0 h GLU 107 CO 0.05 1.11 0.19 1.25 -1.00 0.00 0.00 179.01 180.61 1pg0 h LEU 108 N 0.81 0.41 -0.26 1.33 5.85 -0.81 0.26 115.31 122.90 1pg0 h LEU 108 Ca 0.09 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1pg0 h LEU 108 Cb 0.86 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1pg0 h LEU 108 CO 0.08 0.36 -0.13 0.40 -0.34 0.00 0.00 178.44 178.81 1pg0 h ILE 109 N 0.43 1.30 -0.67 4.05 2.04 -1.17 -1.94 117.51 121.55 1pg0 h ILE 109 Ca 0.12 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.77 1pg0 h ILE 109 Cb 0.03 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1pg0 h ILE 109 CO -0.02 0.38 0.44 0.22 0.00 0.00 0.00 178.15 179.17 1pg0 h TYR 110 N 0.27 0.84 -0.31 1.37 3.20 -1.06 0.45 116.97 121.73 1pg0 h TYR 110 Ca 0.06 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1pg0 h TYR 110 Cb 0.64 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1pg0 h TYR 110 CO 0.06 0.53 -0.16 0.66 -1.64 0.00 0.00 178.16 177.61 1pg0 h SER 111 N 0.90 0.53 0.13 -2.11 4.64 -0.88 0.89 113.55 117.65 1pg0 h SER 111 Ca 0.25 -0.15 -0.19 0.00 -0.47 0.00 0.00 61.79 61.22 1pg0 h SER 111 Cb -0.10 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 61.84 1pg0 h SER 111 CO -0.05 0.71 -0.70 0.03 -0.87 0.00 0.00 176.83 175.95 1pg0 h ARG 112 N 0.49 0.51 0.26 4.77 3.08 -0.92 -1.77 114.38 120.81 1pg0 h ARG 112 Ca 0.09 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 1pg0 h ARG 112 Cb 0.56 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1pg0 h ARG 112 CO 0.04 1.02 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.76 1pg0 h LEU 113 N 0.36 -0.30 -0.42 3.04 3.38 -0.50 -0.60 115.31 120.27 1pg0 h LEU 113 Ca -0.03 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.82 1pg0 h LEU 113 Cb 1.28 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.05 1pg0 h LEU 113 CO 0.13 0.04 0.09 0.50 0.09 0.00 0.00 178.44 179.29 1pg0 h LYS 114 N -0.67 0.22 -0.33 1.13 3.64 -0.88 -0.60 116.57 119.09 1pg0 h LYS 114 Ca -0.04 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1pg0 h LYS 114 Cb 0.47 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1pg0 h LYS 114 CO 0.06 0.15 -0.03 1.49 -2.27 0.00 0.00 179.45 178.85 1pg0 h GLU 115 N 0.23 0.52 -0.00 1.90 4.81 -1.33 -1.47 114.58 119.23 1pg0 h GLU 115 Ca 0.20 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1pg0 h GLU 115 Cb 0.24 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1pg0 h GLU 115 CO -0.26 0.57 0.00 0.09 -0.73 0.00 0.00 179.01 178.68 1pg0 n ASN 116 N -4.26 0.10 -0.20 1.04 5.03 -0.24 -4.91 115.26 111.82 1pg0 n ASN 116 Ca 0.01 -1.13 -0.02 0.00 0.87 0.00 0.00 54.58 54.31 1pg0 n ASN 116 Cb 0.26 -0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.02 1pg0 n ASN 116 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pg0 n GLY 117 N 0.96 0.40 0.94 7.41 0.00 -0.51 -4.95 105.19 109.43 1pg0 n GLY 117 Ca 0.21 -0.89 0.10 0.00 0.00 0.00 0.00 46.02 45.44 1pg0 n GLY 117 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pg0 n PHE 118 N -3.53 0.37 -4.66 1.61 3.01 -0.35 -4.92 117.46 108.99 1pg0 n PHE 118 Ca -0.02 -0.23 -0.33 0.00 1.01 0.00 0.00 57.45 57.88 1pg0 n PHE 118 Cb 0.32 -0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.65 1pg0 n PHE 118 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1pg0 s ILE 119 N -1.35 3.40 0.18 4.37 -1.09 -1.26 -0.29 121.20 125.17 1pg0 s ILE 119 Ca 0.31 -0.55 0.08 0.00 -2.23 0.00 0.00 60.65 58.26 1pg0 s ILE 119 Cb 0.19 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 1pg0 s ILE 119 CO 0.26 0.53 -0.17 -0.54 -1.23 0.00 0.00 174.94 173.79 1pg0 s LYS 120 N 0.06 1.30 0.25 2.79 -0.14 0.47 -4.93 119.74 119.53 1pg0 s LYS 120 Ca -0.03 -1.47 0.09 0.00 -1.36 0.00 0.00 55.97 53.20 1pg0 s LYS 120 Cb -0.14 -1.28 -0.04 0.00 -1.68 0.00 0.00 37.83 34.69 1pg0 s LYS 120 CO 0.04 0.25 0.04 -0.80 -0.76 0.00 0.00 175.35 174.11 1pg0 s ASN 121 N -2.87 4.79 0.05 2.83 0.02 -1.26 0.68 114.94 119.18 1pg0 s ASN 121 Ca 0.18 -0.52 -0.27 0.00 -1.02 0.00 0.00 52.86 51.22 1pg0 s ASN 121 Cb -0.04 -0.99 0.10 0.00 0.02 0.00 0.00 41.25 40.33 1pg0 s ASN 121 CO 0.07 0.01 1.18 -0.60 0.02 0.00 0.00 177.10 177.78 1pg0 s ARG 122 N -3.59 0.71 0.16 -0.60 3.52 -0.25 -4.93 118.95 113.97 1pg0 s ARG 122 Ca 0.31 -0.42 0.08 0.00 -0.13 0.00 0.00 55.73 55.56 1pg0 s ARG 122 Cb -0.07 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 1pg0 s ARG 122 CO 0.21 -0.33 -0.16 0.99 -0.81 0.00 0.00 175.30 175.19 1pg0 s THR 123 N -2.42 1.68 0.29 4.11 2.01 -1.26 0.97 115.64 121.03 1pg0 s THR 123 Ca 0.19 -1.93 -0.09 0.00 0.31 0.00 0.00 61.69 60.17 1pg0 s THR 123 Cb 0.01 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.71 1pg0 s THR 123 CO -0.00 -0.40 0.49 0.27 -0.69 0.00 0.00 174.62 174.29 1pg0 s ILE 124 N -2.27 0.00 -0.00 1.82 -4.36 -0.89 -4.95 121.20 110.54 1pg0 s ILE 124 Ca 0.16 -1.47 0.07 0.00 -0.26 0.00 0.00 60.65 59.15 1pg0 s ILE 124 Cb -0.04 -2.43 -0.03 0.00 1.25 0.00 0.00 42.46 41.21 1pg0 s ILE 124 CO 0.06 0.00 -0.22 -0.55 0.24 0.00 0.00 174.94 174.47 1pg0 s SER 125 N -3.10 3.45 0.03 4.36 0.15 -1.26 -2.55 113.70 114.78 1pg0 s SER 125 Ca 0.25 -0.42 -0.27 0.00 0.70 0.00 0.00 55.95 56.22 1pg0 s SER 125 Cb -0.01 -0.50 0.07 0.00 -1.71 0.00 0.00 66.02 63.87 1pg0 s SER 125 CO 0.13 0.30 0.63 -1.58 1.20 0.00 0.00 173.24 173.93 1pg0 s GLN 126 N -0.91 1.12 0.27 5.44 0.74 -0.27 -4.87 119.66 121.19 1pg0 s GLN 126 Ca 0.12 -0.04 -0.30 0.00 0.05 0.00 0.00 55.36 55.18 1pg0 s GLN 126 Cb -0.10 0.52 -0.12 0.00 1.10 0.00 0.00 33.01 34.41 1pg0 s GLN 126 CO 0.01 -0.41 1.51 1.28 -0.55 0.00 0.00 175.29 177.13 1pg0 n LEU 127 N 0.44 3.81 -3.83 3.68 4.77 -1.26 -1.49 117.00 123.12 1pg0 n LEU 127 Ca -0.18 1.15 -0.19 0.00 -0.03 0.00 0.00 56.01 56.75 1pg0 n LEU 127 Cb 0.60 -1.52 -0.17 0.00 -2.33 0.00 0.00 43.42 40.00 1pg0 n LEU 127 CO 0.20 -0.14 -0.39 -0.47 -1.33 0.00 0.00 177.39 175.26 1pg0 s TYR 128 N -0.07 0.54 -0.17 -1.77 5.04 -1.26 -4.90 117.35 114.76 1pg0 s TYR 128 Ca 0.65 -0.10 0.01 0.00 -2.44 0.00 0.00 57.07 55.19 1pg0 s TYR 128 Cb -0.56 -0.59 0.22 0.00 0.35 0.00 0.00 41.96 41.38 1pg0 s TYR 128 CO 0.50 -0.20 1.43 -3.47 -1.34 0.00 0.00 175.55 172.47 1pg0 n ASP 129 N 4.36 3.72 0.00 4.32 2.03 -1.26 -5.24 116.55 124.48 1pg0 n ASP 129 Ca -0.21 -2.61 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1pg0 n ASP 129 Cb 0.50 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1pg0 n ASP 129 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1pg0 n ARG 185 N 0.05 0.00 -2.36 -0.67 0.63 -0.55 -5.23 116.66 108.53 1pg0 n ARG 185 Ca 0.21 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.88 1pg0 n ARG 185 Cb 0.85 0.00 0.14 0.00 0.45 0.00 0.00 32.46 33.90 1pg0 n ARG 185 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1pg0 s ASP 186 N 0.00 3.80 0.00 6.15 -0.00 -1.25 -1.11 116.67 124.26 1pg0 s ASP 186 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 52.55 52.35 1pg0 s ASP 186 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 42.92 42.91 1pg0 s ASP 186 CO 0.00 -2.25 0.00 -0.24 -0.00 0.00 0.00 175.17 172.68 1pg0 n SER 187 N -3.21 0.00 -4.80 0.27 2.88 -1.06 -4.94 113.62 102.76 1pg0 n SER 187 Ca 0.16 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.35 1pg0 n SER 187 Cb 0.60 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.00 1pg0 n SER 187 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1pg0 s GLU 188 N -1.58 4.33 0.04 -1.46 2.12 -1.26 -2.09 118.70 118.80 1pg0 s GLU 188 Ca 0.00 1.22 -0.00 0.00 0.36 0.00 0.00 54.97 56.55 1pg0 s GLU 188 Cb 0.00 -2.41 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 1pg0 s GLU 188 CO 0.00 0.05 -0.03 -1.01 -0.54 0.00 0.00 175.26 173.73 1pg0 s HIS 189 N -1.95 0.40 -0.12 5.30 3.76 0.27 -4.95 115.29 118.01 1pg0 s HIS 189 Ca 0.58 -0.77 -0.02 0.00 -0.15 0.00 0.00 55.06 54.71 1pg0 s HIS 189 Cb -0.13 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.24 1pg0 s HIS 189 CO 0.18 -0.26 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.69 1pg0 s PHE 190 N -2.56 2.98 0.08 1.40 0.40 -1.26 -1.09 117.98 117.94 1pg0 s PHE 190 Ca -0.05 -0.19 0.10 0.00 -0.60 0.00 0.00 56.93 56.19 1pg0 s PHE 190 Cb -0.02 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 1pg0 s PHE 190 CO -0.05 0.11 -0.26 -0.06 0.70 0.00 0.00 175.22 175.66 1pg0 s PHE 191 N -0.13 2.33 -0.15 0.36 0.40 0.22 -1.39 117.98 119.62 1pg0 s PHE 191 Ca 0.02 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 55.81 1pg0 s PHE 191 Cb -0.13 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 1pg0 s PHE 191 CO 0.03 0.23 0.36 0.12 0.70 0.00 0.00 175.22 176.66 1pg0 s PHE 192 N -0.93 3.48 -1.46 0.36 5.36 0.13 -0.40 117.98 124.53 1pg0 s PHE 192 Ca 0.13 0.70 -0.12 0.00 -0.96 0.00 0.00 56.93 56.67 1pg0 s PHE 192 Cb -0.10 -2.41 0.04 0.00 -0.34 0.00 0.00 43.02 40.20 1pg0 s PHE 192 CO 0.04 0.21 2.30 -3.47 -1.46 0.00 0.00 175.22 172.85 1pg0 n ASP 193 N 3.60 4.93 -0.10 6.13 2.03 0.60 -1.00 116.55 132.74 1pg0 n ASP 193 Ca -0.10 -2.84 -0.06 0.00 0.52 0.00 0.00 54.79 52.31 1pg0 n ASP 193 Cb 0.52 -1.61 0.01 0.00 -0.72 0.00 0.00 41.12 39.32 1pg0 n ASP 193 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1pg0 h LEU 194 N 9.11 -0.14 -1.45 -2.67 5.85 -1.87 -2.85 115.31 121.29 1pg0 h LEU 194 Ca 0.60 0.08 0.27 0.00 0.84 0.00 0.00 57.88 59.66 1pg0 h LEU 194 Cb 0.57 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1pg0 h LEU 194 CO 1.83 -0.03 0.98 -0.65 -0.34 0.00 0.00 178.44 180.23 1pg0 h PRO 195 N 0.10 0.00 0.00 5.25 0.11 -1.81 0.61 132.00 136.26 1pg0 h PRO 195 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1pg0 h PRO 195 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1pg0 h PRO 195 CO -0.28 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.94 1pg0 n SER 196 N -3.47 0.00 -0.42 -2.05 7.64 -1.08 -3.10 113.62 111.14 1pg0 n SER 196 Ca 0.20 -0.01 0.06 0.00 1.01 0.00 0.00 58.87 60.12 1pg0 n SER 196 Cb 1.28 -0.31 0.04 0.00 -1.01 0.00 0.00 64.21 64.21 1pg0 n SER 196 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1pg0 n PHE 197 N -1.31 0.00 -0.06 1.43 3.01 0.21 -4.80 117.46 115.95 1pg0 n PHE 197 Ca 0.11 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.55 1pg0 n PHE 197 Cb 0.21 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.66 1pg0 n PHE 197 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1pg0 h SER 198 N 2.05 -0.33 -0.85 4.37 0.02 -1.64 0.20 113.55 117.37 1pg0 h SER 198 Ca 0.00 0.05 0.20 0.00 -0.84 0.00 0.00 61.79 61.20 1pg0 h SER 198 Cb 0.46 0.14 -0.12 0.00 0.14 0.00 0.00 62.40 63.03 1pg0 h SER 198 CO 0.00 -0.04 0.33 -0.33 -1.14 0.00 0.00 176.83 175.65 1pg0 h GLU 199 N -0.01 0.36 -0.78 3.45 4.39 -1.87 0.39 114.58 120.52 1pg0 h GLU 199 Ca 0.02 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1pg0 h GLU 199 Cb 0.07 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1pg0 h GLU 199 CO -0.14 0.24 0.39 1.98 -1.16 0.00 0.00 179.01 180.32 1pg0 h MET 200 N 0.37 1.11 -0.57 2.33 4.05 -1.58 -1.28 114.93 119.37 1pg0 h MET 200 Ca 0.51 -0.16 -0.08 0.00 -0.28 0.00 0.00 59.70 59.69 1pg0 h MET 200 Cb 0.92 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 1pg0 h MET 200 CO -0.52 0.85 0.04 -0.07 0.23 0.00 0.00 176.91 177.45 1pg0 h LEU 201 N 1.09 0.92 0.71 3.39 3.38 0.26 -1.47 115.31 123.59 1pg0 h LEU 201 Ca 0.27 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1pg0 h LEU 201 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1pg0 h LEU 201 CO -0.04 0.95 -0.47 1.56 0.09 0.00 0.00 178.44 180.54 1pg0 h GLN 202 N 0.89 -1.08 -0.69 1.13 1.08 0.31 0.61 115.11 117.36 1pg0 h GLN 202 Ca 0.17 0.07 0.10 0.00 -1.45 0.00 0.00 58.65 57.55 1pg0 h GLN 202 Cb 0.47 0.25 -0.08 0.00 -0.05 0.00 0.00 27.48 28.07 1pg0 h GLN 202 CO 0.02 -0.72 0.31 0.00 -0.95 0.00 0.00 178.83 177.49 1pg0 h ALA 203 N -0.99 0.95 -0.07 3.87 0.00 -1.19 -0.61 119.26 121.23 1pg0 h ALA 203 Ca -0.09 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1pg0 h ALA 203 Cb 0.91 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1pg0 h ALA 203 CO 0.07 -0.12 0.02 2.35 0.00 0.00 0.00 179.25 181.57 1pg0 h TRP 204 N 0.52 0.11 -0.66 0.00 7.01 -1.04 -3.04 115.95 118.85 1pg0 h TRP 204 Ca 0.35 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.42 1pg0 h TRP 204 Cb 0.42 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.39 1pg0 h TRP 204 CO -0.13 0.26 0.33 1.15 -2.79 0.00 0.00 178.44 177.25 1pg0 h THR 205 N -0.08 0.88 -0.41 2.65 2.02 0.87 -2.41 112.91 116.43 1pg0 h THR 205 Ca 0.02 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.87 1pg0 h THR 205 Cb 0.20 0.25 -0.08 0.00 -1.74 0.00 0.00 68.15 66.79 1pg0 h THR 205 CO -0.00 0.11 0.17 0.54 0.37 0.00 0.00 175.52 176.70 1pg0 n ARG 206 N -4.87 2.35 -2.44 6.66 1.74 -0.30 -4.48 116.66 115.34 1pg0 n ARG 206 Ca 0.09 -1.60 -0.37 0.00 -0.77 0.00 0.00 57.85 55.20 1pg0 n ARG 206 Cb 0.23 -1.76 0.02 0.00 -1.02 0.00 0.00 32.46 29.93 1pg0 n ARG 206 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1pg0 n SER 207 N -0.01 6.77 -3.61 0.55 3.41 -0.91 -4.82 113.62 115.00 1pg0 n SER 207 Ca 0.23 -3.74 -0.28 0.00 -0.26 0.00 0.00 58.87 54.81 1pg0 n SER 207 Cb 0.93 -0.99 0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1pg0 n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pg0 n GLY 208 N -0.28 -0.75 2.05 5.00 0.00 -1.26 -4.86 105.19 105.09 1pg0 n GLY 208 Ca 0.46 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.24 1pg0 n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg0 n ALA 209 N -1.71 2.35 -0.94 4.61 0.00 -1.26 -5.13 120.51 118.42 1pg0 n ALA 209 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 1pg0 n ALA 209 Cb 0.65 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.28 1pg0 n ALA 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pg0 s LEU 210 N -6.78 1.87 0.36 0.00 1.43 -1.26 -4.91 118.68 109.40 1pg0 s LEU 210 Ca 0.00 1.56 -0.27 0.00 -1.03 0.00 0.00 54.13 54.39 1pg0 s LEU 210 Cb 0.00 -3.81 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 1pg0 s LEU 210 CO 0.00 -3.20 1.22 -1.10 0.23 0.00 0.00 176.35 173.50 1pg0 s GLN 211 N -4.77 4.22 0.19 1.70 -0.21 -1.26 -4.75 119.66 114.79 1pg0 s GLN 211 Ca 0.65 2.00 -0.16 0.00 0.02 0.00 0.00 55.36 57.87 1pg0 s GLN 211 Cb -0.21 -2.88 0.18 0.00 1.00 0.00 0.00 33.01 31.10 1pg0 s GLN 211 CO 0.59 -0.23 1.63 1.49 -2.12 0.00 0.00 175.29 176.65 1pg0 h GLU 212 N 3.04 -0.05 0.00 2.91 4.81 -1.94 0.71 114.58 124.06 1pg0 h GLU 212 Ca -0.49 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1pg0 h GLU 212 Cb 1.23 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1pg0 h GLU 212 CO 0.64 -0.04 -0.04 1.96 -0.73 0.00 0.00 179.01 180.81 1pg0 h GLN 213 N -0.05 0.00 0.13 1.92 4.20 -1.98 -0.97 115.11 118.36 1pg0 h GLN 213 Ca 0.26 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.64 1pg0 h GLN 213 Cb 0.46 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1pg0 h GLN 213 CO -0.60 0.04 -1.76 0.28 -0.67 0.00 0.00 178.83 176.12 1pg0 h VAL 214 N 0.00 0.80 -0.61 -0.54 2.07 -1.07 -2.84 116.25 114.07 1pg0 h VAL 214 Ca -0.00 -2.38 0.10 0.00 0.82 0.00 0.00 66.70 65.25 1pg0 h VAL 214 Cb 0.09 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 1pg0 h VAL 214 CO 0.00 0.80 0.41 0.00 0.02 0.00 0.00 177.57 178.81 1pg0 h ALA 215 N 0.00 2.04 -3.00 1.67 0.00 0.78 -3.17 119.26 117.59 1pg0 h ALA 215 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1pg0 h ALA 215 Cb 1.93 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1pg0 h ALA 215 CO 0.08 -0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.24 1pg0 n ASN 216 N -4.47 0.00 0.00 0.00 5.03 -0.41 -4.33 115.26 111.08 1pg0 n ASN 216 Ca 0.10 0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.57 1pg0 n ASN 216 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 1pg0 n ASN 216 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1pg0 n LYS 217 N -0.09 0.00 -0.11 3.52 0.00 -1.07 0.22 118.16 120.63 1pg0 n LYS 217 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 58.31 58.57 1pg0 n LYS 217 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 35.03 35.75 1pg0 n LYS 217 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1pg0 h MET 218 N 0.00 0.00 -0.10 1.64 2.86 -1.74 -0.22 114.93 117.37 1pg0 h MET 218 Ca 0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1pg0 h MET 218 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1pg0 h MET 218 CO 0.00 0.00 -0.12 1.96 1.06 0.00 0.00 176.91 179.81 1pg0 h GLN 219 N 0.00 -0.14 -0.43 1.72 1.08 0.24 0.13 115.11 117.70 1pg0 h GLN 219 Ca 0.37 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.70 1pg0 h GLN 219 Cb 1.62 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 29.06 1pg0 h GLN 219 CO -0.00 -0.10 0.45 0.93 -0.95 0.00 0.00 178.83 179.16 1pg0 h GLU 220 N -0.15 0.00 0.12 1.46 5.08 -1.24 0.54 114.58 120.39 1pg0 h GLU 220 Ca 0.08 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.15 1pg0 h GLU 220 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1pg0 h GLU 220 CO -0.19 0.00 -1.40 -1.49 -1.00 0.00 0.00 179.01 174.94 1pg0 h TRP 221 N 0.00 0.47 -0.00 4.33 6.55 -0.87 -3.25 115.95 123.18 1pg0 h TRP 221 Ca 0.21 -0.34 -0.10 0.00 0.95 0.00 0.00 58.89 59.60 1pg0 h TRP 221 Cb 1.10 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 29.36 1pg0 h TRP 221 CO 0.00 1.33 -0.49 0.74 -1.05 0.00 0.00 178.44 178.97 1pg0 h PHE 222 N 0.07 0.01 0.00 0.49 0.04 0.20 -1.58 116.94 116.17 1pg0 h PHE 222 Ca -0.19 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1pg0 h PHE 222 Cb 2.00 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.14 1pg0 h PHE 222 CO 0.06 0.50 0.00 -1.91 -0.60 0.00 0.00 178.31 176.36 1pg0 n GLU 223 N -3.95 0.00 0.00 1.51 4.07 0.11 0.17 120.64 122.54 1pg0 n GLU 223 Ca -0.02 0.40 0.03 0.00 -0.06 0.00 0.00 57.16 57.52 1pg0 n GLU 223 Cb 0.51 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 30.41 1pg0 n GLU 223 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1pg0 n SER 224 N -1.49 1.28 -1.31 4.31 7.64 -0.63 -5.09 113.62 118.33 1pg0 n SER 224 Ca 0.01 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1pg0 n SER 224 Cb 0.06 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1pg0 n SER 224 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pg0 n GLY 225 N 0.45 -4.21 3.76 0.23 0.00 0.13 -4.88 105.19 100.67 1pg0 n GLY 225 Ca 0.03 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1pg0 n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pg0 s LEU 226 N -3.72 4.54 0.28 0.99 1.43 -1.26 -4.88 118.68 116.07 1pg0 s LEU 226 Ca 0.00 2.25 0.09 0.00 -1.03 0.00 0.00 54.13 55.44 1pg0 s LEU 226 Cb 0.00 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 1pg0 s LEU 226 CO 0.00 -0.14 -0.11 -1.10 0.23 0.00 0.00 176.35 175.23 1pg0 s GLN 227 N -1.47 1.61 0.37 1.70 -1.52 -1.26 -4.59 119.66 114.50 1pg0 s GLN 227 Ca 0.45 -1.79 -0.27 0.00 -1.95 0.00 0.00 55.36 51.80 1pg0 s GLN 227 Cb -0.31 -1.40 -0.09 0.00 -0.22 0.00 0.00 33.01 30.98 1pg0 s GLN 227 CO 0.40 0.14 1.23 -0.65 -0.25 0.00 0.00 175.29 176.17 1pg0 s GLN 228 N -3.64 4.16 -0.18 2.91 -0.21 -1.26 -4.33 119.66 117.10 1pg0 s GLN 228 Ca 0.29 2.02 -0.06 0.00 0.02 0.00 0.00 55.36 57.63 1pg0 s GLN 228 Cb 0.01 -2.85 -0.03 0.00 1.00 0.00 0.00 33.01 31.14 1pg0 s GLN 228 CO 0.13 -0.28 0.02 -0.46 -2.12 0.00 0.00 175.29 172.57 1pg0 s TRP 229 N -1.28 3.12 -0.61 0.91 -0.00 -0.17 -4.84 118.94 116.07 1pg0 s TRP 229 Ca 0.54 -0.18 -0.27 0.00 -0.00 0.00 0.00 56.10 56.18 1pg0 s TRP 229 Cb -0.35 -2.05 0.00 0.00 -0.00 0.00 0.00 33.47 31.07 1pg0 s TRP 229 CO 0.45 -0.02 1.57 0.34 -0.00 0.00 0.00 176.95 179.29 1pg0 s ASP 230 N 0.58 5.81 -0.14 5.86 -1.08 -1.26 0.22 116.67 126.67 1pg0 s ASP 230 Ca 0.01 0.20 0.17 0.00 -0.52 0.00 0.00 52.55 52.41 1pg0 s ASP 230 Cb -0.14 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.51 1pg0 s ASP 230 CO 0.02 -1.98 1.64 2.30 0.52 0.00 0.00 175.17 177.67 1pg0 n ILE 231 N 6.91 2.04 -4.30 4.11 -5.35 -0.48 -4.88 119.36 117.41 1pg0 n ILE 231 Ca 0.14 -1.27 -0.23 0.00 -0.27 0.00 0.00 62.75 61.12 1pg0 n ILE 231 Cb 0.50 0.04 -0.12 0.00 -1.74 0.00 0.00 39.64 38.32 1pg0 n ILE 231 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1pg0 s SER 232 N -0.93 2.56 0.03 7.28 1.04 -1.23 -1.05 113.70 121.40 1pg0 s SER 232 Ca 0.51 -0.77 -0.04 0.00 0.48 0.00 0.00 55.95 56.14 1pg0 s SER 232 Cb 0.35 -0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 1pg0 s SER 232 CO 0.22 0.01 0.06 -0.13 0.98 0.00 0.00 173.24 174.37 1pg0 s ARG 233 N -2.33 0.52 0.22 4.02 1.81 0.16 -4.70 118.95 118.65 1pg0 s ARG 233 Ca 0.10 -0.74 -0.04 0.00 -1.72 0.00 0.00 55.73 53.33 1pg0 s ARG 233 Cb -0.08 0.20 -0.05 0.00 -0.45 0.00 0.00 34.95 34.57 1pg0 s ARG 233 CO 0.05 -0.12 0.47 -0.51 -0.68 0.00 0.00 175.30 174.51 1pg0 s ASP 234 N -2.00 6.46 0.65 0.23 1.11 -1.26 0.49 116.67 122.35 1pg0 s ASP 234 Ca -0.07 0.62 -0.16 0.00 0.18 0.00 0.00 52.55 53.12 1pg0 s ASP 234 Cb -0.03 -2.10 -0.00 0.00 1.07 0.00 0.00 42.92 41.86 1pg0 s ASP 234 CO -0.04 -0.08 1.15 0.00 1.18 0.00 0.00 175.17 177.38 1pg0 s ALA 235 N -1.90 2.41 0.10 5.23 0.00 -0.98 -4.19 121.76 122.42 1pg0 s ALA 235 Ca 0.42 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 1pg0 s ALA 235 Cb -0.11 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1pg0 s ALA 235 CO 0.27 -1.36 1.02 -1.25 0.00 0.00 0.00 175.76 174.44 1pg0 s PRO 236 N -3.83 4.62 -0.15 0.00 0.04 -1.26 -5.10 135.00 129.33 1pg0 s PRO 236 Ca 0.71 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 63.11 1pg0 s PRO 236 Cb -0.25 -3.37 0.05 0.00 0.04 0.00 0.00 34.50 30.97 1pg0 s PRO 236 CO 0.39 0.08 0.47 -0.47 0.04 0.00 0.00 177.00 177.52 1pg0 s TYR 237 N 0.27 -0.49 -0.60 0.56 6.14 -1.26 -4.97 117.35 116.99 1pg0 s TYR 237 Ca 0.50 1.15 -0.20 0.00 0.64 0.00 0.00 57.07 59.16 1pg0 s TYR 237 Cb -0.25 0.19 0.09 0.00 0.42 0.00 0.00 41.96 42.41 1pg0 s TYR 237 CO 0.30 -0.29 0.75 0.12 0.64 0.00 0.00 175.55 177.07 1pg0 s PHE 238 N -0.03 2.94 0.00 4.97 5.36 -1.26 -4.91 117.98 125.05 1pg0 s PHE 238 Ca -0.02 -0.86 0.00 0.00 -0.96 0.00 0.00 56.93 55.09 1pg0 s PHE 238 Cb -0.03 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.61 1pg0 s PHE 238 CO 0.02 -1.34 0.00 0.41 -1.46 0.00 0.00 175.22 172.84 1pg0 n GLY 239 N 5.28 1.00 3.80 13.12 0.00 -1.26 -1.51 105.19 125.62 1pg0 n GLY 239 Ca -0.08 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1pg0 n GLY 239 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pg0 s PHE 240 N -1.94 3.58 0.27 1.61 2.99 -1.26 -4.96 117.98 118.27 1pg0 s PHE 240 Ca 0.00 0.73 -0.29 0.00 0.00 0.00 0.00 56.93 57.37 1pg0 s PHE 240 Cb 0.00 -2.25 -0.09 0.00 0.00 0.00 0.00 43.02 40.68 1pg0 s PHE 240 CO 0.00 0.48 1.03 -1.21 -0.00 0.00 0.00 175.22 175.52 1pg0 s GLU 241 N -0.37 4.70 -0.16 0.44 2.02 -1.26 -0.54 118.70 123.52 1pg0 s GLU 241 Ca 0.19 1.66 -0.29 0.00 0.02 0.00 0.00 54.97 56.55 1pg0 s GLU 241 Cb -0.14 -3.18 -0.00 0.00 0.10 0.00 0.00 34.13 30.90 1pg0 s GLU 241 CO 0.07 0.31 1.05 0.42 0.02 0.00 0.00 175.26 177.13 1pg0 s ILE 242 N -1.20 4.68 0.31 -1.63 1.01 0.11 -4.82 121.20 119.65 1pg0 s ILE 242 Ca 0.44 1.98 -0.30 0.00 0.00 0.00 0.00 60.65 62.78 1pg0 s ILE 242 Cb -0.29 -4.28 -0.12 0.00 0.01 0.00 0.00 42.46 37.79 1pg0 s ILE 242 CO 0.37 -0.09 1.54 -2.65 0.00 0.00 0.00 174.94 174.11 1pg0 n PRO 243 N 5.69 2.60 -1.17 2.79 -0.02 -1.26 -1.96 135.00 141.66 1pg0 n PRO 243 Ca 0.11 0.92 -0.06 0.00 -2.02 0.00 0.00 63.50 62.45 1pg0 n PRO 243 Cb 0.47 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 1pg0 n PRO 243 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pg0 n ASN 244 N 1.71 -4.47 -3.24 2.55 5.03 -1.26 -4.94 115.26 110.64 1pg0 n ASN 244 Ca 0.07 0.15 -0.22 0.00 0.87 0.00 0.00 54.58 55.44 1pg0 n ASN 244 Cb 0.37 -2.50 -0.07 0.00 -1.02 0.00 0.00 39.78 36.55 1pg0 n ASN 244 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pg0 n ALA 245 N 1.11 1.93 -1.59 5.41 0.00 -0.83 -5.13 120.51 121.41 1pg0 n ALA 245 Ca -0.06 -2.79 -0.47 0.00 0.00 0.00 0.00 53.44 50.12 1pg0 n ALA 245 Cb 0.32 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 1pg0 n ALA 245 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pg0 n PRO 246 N 2.56 1.32 -0.95 0.00 -0.02 -1.26 -2.10 135.00 134.55 1pg0 n PRO 246 Ca 0.26 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1pg0 n PRO 246 Cb 0.51 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1pg0 n PRO 246 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pg0 n GLY 247 N 1.85 0.86 3.55 -1.23 0.00 -1.26 -5.01 105.19 103.95 1pg0 n GLY 247 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1pg0 n GLY 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pg0 s LYS 248 N -0.11 3.10 0.17 1.61 -0.14 -0.89 -2.33 119.74 121.14 1pg0 s LYS 248 Ca 0.00 -0.54 0.10 0.00 -1.36 0.00 0.00 55.97 54.17 1pg0 s LYS 248 Cb 0.00 -2.71 -0.04 0.00 -1.68 0.00 0.00 37.83 33.40 1pg0 s LYS 248 CO 0.00 0.50 -0.23 0.71 -0.76 0.00 0.00 175.35 175.58 1pg0 s TYR 249 N -0.37 2.13 0.12 3.18 1.51 0.18 0.06 117.35 124.16 1pg0 s TYR 249 Ca 0.06 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 1pg0 s TYR 249 Cb -0.12 -1.09 -0.07 0.00 -0.11 0.00 0.00 41.96 40.57 1pg0 s TYR 249 CO 0.02 0.40 1.18 -0.06 -1.11 0.00 0.00 175.55 175.99 1pg0 s PHE 250 N -1.59 3.46 0.32 2.71 2.99 0.29 0.37 117.98 126.53 1pg0 s PHE 250 Ca 0.17 1.38 -0.29 0.00 0.00 0.00 0.00 56.93 58.19 1pg0 s PHE 250 Cb -0.08 -3.40 -0.11 0.00 0.00 0.00 0.00 43.02 39.43 1pg0 s PHE 250 CO 0.08 -1.15 1.48 -0.47 -0.00 0.00 0.00 175.22 175.16 1pg0 s TYR 251 N 0.50 2.79 0.28 0.36 5.04 -0.21 -4.51 117.35 121.60 1pg0 s TYR 251 Ca 0.55 1.07 -0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1pg0 s TYR 251 Cb -0.30 -3.94 0.65 0.00 0.35 0.00 0.00 41.96 38.71 1pg0 s TYR 251 CO 0.32 -2.92 1.62 -0.24 -1.34 0.00 0.00 175.55 172.99 1pg0 h VAL 252 N 3.21 0.24 0.00 3.14 3.04 -1.91 0.69 116.25 124.66 1pg0 h VAL 252 Ca -0.49 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1pg0 h VAL 252 Cb 1.23 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 1pg0 h VAL 252 CO 0.71 0.02 0.00 0.79 -1.01 0.00 0.00 177.57 178.08 1pg0 n TRP 253 N -5.33 0.67 0.02 3.17 7.02 -1.26 -0.58 117.44 121.15 1pg0 n TRP 253 Ca 0.20 0.32 -0.19 0.00 -1.02 0.00 0.00 57.50 56.80 1pg0 n TRP 253 Cb 0.65 -1.01 -0.14 0.00 -2.42 0.00 0.00 31.31 28.39 1pg0 n TRP 253 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1pg0 h LEU 254 N 0.00 0.38 0.00 -0.99 7.12 -1.21 -3.36 115.31 117.25 1pg0 h LEU 254 Ca 0.00 -0.94 -0.05 0.00 0.13 0.00 0.00 57.88 57.02 1pg0 h LEU 254 Cb 0.12 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 1pg0 h LEU 254 CO 0.00 1.37 -0.61 -2.24 -0.13 0.00 0.00 178.44 176.83 1pg0 h ASP 255 N -0.47 0.00 0.35 1.25 -0.00 -1.43 -3.37 116.42 112.76 1pg0 h ASP 255 Ca -0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 56.88 1pg0 h ASP 255 Cb 1.56 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.86 1pg0 h ASP 255 CO 0.11 0.22 -0.51 0.00 -0.00 0.00 0.00 179.24 179.05 1pg0 h ALA 256 N 1.78 -1.07 0.00 4.15 0.00 -0.99 -1.26 119.26 121.87 1pg0 h ALA 256 Ca -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1pg0 h ALA 256 Cb 1.19 0.79 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 1pg0 h ALA 256 CO 0.02 -1.15 -0.15 -1.00 0.00 0.00 0.00 179.25 176.97 1pg0 h PRO 257 N -0.90 0.00 0.00 0.00 0.13 -1.75 0.29 132.00 129.76 1pg0 h PRO 257 Ca -0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1pg0 h PRO 257 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1pg0 h PRO 257 CO -0.15 0.15 -0.01 0.82 -0.23 0.00 0.00 178.00 178.57 1pg0 h ILE 258 N 0.00 0.07 0.00 -3.56 2.04 -1.52 -0.71 117.51 113.83 1pg0 h ILE 258 Ca -0.00 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1pg0 h ILE 258 Cb 0.30 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1pg0 h ILE 258 CO 0.02 0.01 -0.02 1.23 0.00 0.00 0.00 178.15 179.40 1pg0 h GLY 259 N 0.98 0.00 0.90 5.37 0.00 0.72 0.18 103.07 111.22 1pg0 h GLY 259 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1pg0 h GLY 259 CO 0.00 0.00 0.08 -0.97 0.00 0.00 0.00 176.54 175.65 1pg0 h TYR 260 N 0.00 0.50 -0.39 5.60 0.99 -1.23 0.13 116.97 122.58 1pg0 h TYR 260 Ca -0.00 -0.06 -0.11 0.00 2.00 0.00 0.00 58.73 60.56 1pg0 h TYR 260 Cb 0.05 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 37.63 1pg0 h TYR 260 CO 0.00 0.54 -0.20 0.52 -0.00 0.00 0.00 178.16 179.02 1pg0 h MET 261 N 0.32 0.82 -0.91 4.88 2.86 -1.15 -2.51 114.93 119.25 1pg0 h MET 261 Ca 0.10 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1pg0 h MET 261 Cb 0.28 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 1pg0 h MET 261 CO 0.00 1.00 0.55 0.78 1.06 0.00 0.00 176.91 180.30 1pg0 h GLY 262 N 0.63 1.32 1.16 8.32 0.00 -0.56 -1.06 103.07 112.87 1pg0 h GLY 262 Ca 0.09 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 1pg0 h GLY 262 CO 0.06 0.53 -0.07 0.23 0.00 0.00 0.00 176.54 177.29 1pg0 h SER 263 N 1.25 0.98 -0.29 0.19 0.87 -0.87 -1.79 113.55 113.90 1pg0 h SER 263 Ca 0.33 -0.30 -0.18 0.00 -1.23 0.00 0.00 61.79 60.41 1pg0 h SER 263 Cb -0.06 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.63 1pg0 h SER 263 CO -0.06 1.07 -0.50 0.15 -0.53 0.00 0.00 176.83 176.96 1pg0 h PHE 264 N 0.89 1.08 -0.87 2.24 3.57 -1.12 -2.25 116.94 120.49 1pg0 h PHE 264 Ca 0.15 -0.37 0.01 0.00 3.53 0.00 0.00 57.97 61.30 1pg0 h PHE 264 Cb 0.61 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1pg0 h PHE 264 CO 0.04 1.19 0.57 -0.22 -2.23 0.00 0.00 178.31 177.66 1pg0 h LYS 265 N 0.68 1.12 -0.51 1.11 3.64 -1.09 0.77 116.57 122.29 1pg0 h LYS 265 Ca 0.03 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1pg0 h LYS 265 Cb 1.10 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1pg0 h LYS 265 CO 0.11 0.74 0.32 -0.97 -2.27 0.00 0.00 179.45 177.39 1pg0 h ASN 266 N 1.15 0.60 -0.26 4.20 -1.24 -1.21 0.16 115.58 118.99 1pg0 h ASN 266 Ca 0.32 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.29 1pg0 h ASN 266 Cb -0.10 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.79 1pg0 h ASN 266 CO -0.08 0.45 0.13 0.25 -1.29 0.00 0.00 177.43 176.89 1pg0 h LEU 267 N 0.69 0.33 -0.26 0.34 5.85 -0.72 -0.39 115.31 121.15 1pg0 h LEU 267 Ca 0.18 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1pg0 h LEU 267 Cb -0.05 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1pg0 h LEU 267 CO -0.04 0.35 0.15 0.00 -0.34 0.00 0.00 178.44 178.56 1pg0 h ASP 269 N 0.32 0.95 0.57 0.00 3.32 -0.49 0.31 116.42 121.40 1pg0 h ASP 269 Ca 0.09 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 1pg0 h ASP 269 Cb 0.02 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1pg0 h ASP 269 CO -0.02 0.65 -0.36 0.11 -1.72 0.00 0.00 179.24 177.90 1pg0 h LYS 270 N 1.11 0.00 0.00 3.56 1.57 -0.74 -2.29 116.57 119.78 1pg0 h LYS 270 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1pg0 h LYS 270 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1pg0 h LYS 270 CO -0.12 0.36 -0.20 0.54 -0.57 0.00 0.00 179.45 179.47 1pg0 n ARG 271 N -3.79 0.01 -1.63 3.15 1.74 -0.50 -4.89 116.66 110.74 1pg0 n ARG 271 Ca -0.01 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.99 1pg0 n ARG 271 Cb 0.44 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 1pg0 n ARG 271 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pg0 n GLY 272 N 1.50 0.59 3.49 -0.13 0.00 -0.39 -4.98 105.19 105.28 1pg0 n GLY 272 Ca 0.06 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1pg0 n GLY 272 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pg0 s ASP 273 N -2.79 6.26 0.00 1.61 -1.08 -0.04 -4.94 116.67 115.69 1pg0 s ASP 273 Ca 0.00 -0.59 0.23 0.00 -0.52 0.00 0.00 52.55 51.67 1pg0 s ASP 273 Cb 0.00 -2.28 0.49 0.00 -1.46 0.00 0.00 42.92 39.67 1pg0 s ASP 273 CO 0.00 -0.75 1.43 -1.54 0.52 0.00 0.00 175.17 174.83 1pg0 n SER 274 N 6.05 3.27 -0.02 -0.34 3.41 -1.26 -4.35 113.62 120.38 1pg0 n SER 274 Ca -0.04 -1.96 -0.02 0.00 -0.26 0.00 0.00 58.87 56.58 1pg0 n SER 274 Cb 0.47 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 1pg0 n SER 274 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1pg0 n VAL 275 N 1.35 0.22 -0.32 -3.33 0.24 -1.26 -4.79 118.33 110.44 1pg0 n VAL 275 Ca 0.19 -0.12 0.03 0.00 -2.04 0.00 0.00 64.34 62.41 1pg0 n VAL 275 Cb 0.57 -0.81 0.17 0.00 -1.47 0.00 0.00 33.84 32.30 1pg0 n VAL 275 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1pg0 h SER 276 N 0.00 0.82 -0.08 -1.34 0.02 -1.99 -2.43 113.55 108.55 1pg0 h SER 276 Ca -0.09 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1pg0 h SER 276 Cb 1.17 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 1pg0 h SER 276 CO -0.00 0.49 -0.36 0.15 -1.14 0.00 0.00 176.83 175.97 1pg0 h PHE 277 N 0.94 -1.01 -0.63 3.45 3.57 -1.87 -0.83 116.94 120.57 1pg0 h PHE 277 Ca 0.42 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.93 1pg0 h PHE 277 Cb 0.30 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1pg0 h PHE 277 CO -0.03 -0.44 0.29 -0.44 -2.23 0.00 0.00 178.31 175.46 1pg0 h ASP 278 N -0.47 0.81 -0.30 0.41 5.19 -1.85 -0.53 116.42 119.68 1pg0 h ASP 278 Ca 0.08 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 1pg0 h ASP 278 Cb 0.59 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 1pg0 h ASP 278 CO -0.34 0.70 0.14 -0.33 -3.12 0.00 0.00 179.24 176.30 1pg0 h GLU 279 N 0.89 0.49 0.01 3.56 5.08 -0.83 0.96 114.58 124.75 1pg0 h GLU 279 Ca 0.22 -0.06 -0.28 0.00 -1.00 0.00 0.00 59.36 58.24 1pg0 h GLU 279 Cb 0.12 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1pg0 h GLU 279 CO -0.03 0.41 -1.57 1.88 -1.00 0.00 0.00 179.01 178.71 1pg0 h TYR 280 N 0.49 0.06 0.00 4.33 -1.99 -0.64 -3.40 116.97 115.82 1pg0 h TYR 280 Ca 0.12 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1pg0 h TYR 280 Cb 0.10 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.83 1pg0 h TYR 280 CO 0.00 1.07 -0.65 0.91 -0.00 0.00 0.00 178.16 179.50 1pg0 n TRP 281 N -3.16 0.00 -1.71 4.88 7.02 -0.26 -4.86 117.44 119.36 1pg0 n TRP 281 Ca -0.14 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 55.98 1pg0 n TRP 281 Cb 1.03 -0.02 0.07 0.00 -2.42 0.00 0.00 31.31 29.97 1pg0 n TRP 281 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1pg0 s LYS 282 N -2.21 2.53 0.41 -0.99 -2.85 0.32 -1.27 119.74 115.68 1pg0 s LYS 282 Ca 0.04 1.88 0.15 0.00 -1.00 0.00 0.00 55.97 57.05 1pg0 s LYS 282 Cb 0.09 -1.87 1.02 0.00 -2.06 0.00 0.00 37.83 35.02 1pg0 s LYS 282 CO 0.51 -1.57 1.88 0.87 0.10 0.00 0.00 175.35 177.14 1pg0 h LYS 283 N 0.35 0.45 -0.79 1.78 1.57 -1.83 -1.69 116.57 116.41 1pg0 h LYS 283 Ca -0.50 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.08 1pg0 h LYS 283 Cb 1.31 -0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.41 1pg0 h LYS 283 CO 0.52 0.30 0.22 -0.40 -0.57 0.00 0.00 179.45 179.53 1pg0 n ASP 284 N -4.51 4.45 -4.78 0.86 5.68 -1.26 -4.64 116.55 112.35 1pg0 n ASP 284 Ca 0.17 -3.01 -0.41 0.00 -0.50 0.00 0.00 54.79 51.05 1pg0 n ASP 284 Cb 0.60 -0.71 0.01 0.00 -1.14 0.00 0.00 41.12 39.88 1pg0 n ASP 284 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1pg0 s SER 285 N -0.76 6.14 0.00 -1.12 0.15 -0.63 -4.90 113.70 112.58 1pg0 s SER 285 Ca 0.47 3.03 0.24 0.00 0.70 0.00 0.00 55.95 60.38 1pg0 s SER 285 Cb 0.37 -2.66 0.17 0.00 -1.71 0.00 0.00 66.02 62.18 1pg0 s SER 285 CO 0.12 -1.01 1.23 0.35 1.20 0.00 0.00 173.24 175.13 1pg0 n THR 286 N 0.20 0.00 -2.60 6.45 -2.24 -1.26 -4.94 114.28 109.89 1pg0 n THR 286 Ca 0.02 -0.48 -0.32 0.00 -2.27 0.00 0.00 64.05 61.00 1pg0 n THR 286 Cb 0.40 1.47 -0.05 0.00 -2.10 0.00 0.00 70.33 70.05 1pg0 n THR 286 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pg0 s ALA 287 N -2.02 3.08 -0.07 6.98 0.00 -1.26 -4.81 121.76 123.65 1pg0 s ALA 287 Ca 0.27 0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.38 1pg0 s ALA 287 Cb 0.20 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 1pg0 s ALA 287 CO 0.32 -0.07 0.23 -1.21 0.00 0.00 0.00 175.76 175.03 1pg0 s GLU 288 N -3.69 3.59 -0.14 0.00 2.02 0.02 -4.98 118.70 115.52 1pg0 s GLU 288 Ca 0.60 0.02 0.01 0.00 0.02 0.00 0.00 54.97 55.62 1pg0 s GLU 288 Cb -0.10 -3.18 0.02 0.00 0.10 0.00 0.00 34.13 30.97 1pg0 s GLU 288 CO 0.24 0.74 -0.17 -1.17 0.02 0.00 0.00 175.26 174.92 1pg0 s LEU 289 N -1.14 1.85 -0.02 1.80 2.96 -1.26 -0.97 118.68 121.90 1pg0 s LEU 289 Ca 0.19 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 1pg0 s LEU 289 Cb -0.13 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 1pg0 s LEU 289 CO 0.08 0.00 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.66 1pg0 s TYR 290 N 1.15 1.33 -0.17 5.38 1.51 -0.28 0.08 117.35 126.34 1pg0 s TYR 290 Ca -0.01 -0.29 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1pg0 s TYR 290 Cb -0.14 -0.87 0.02 0.00 -0.11 0.00 0.00 41.96 40.86 1pg0 s TYR 290 CO -0.06 -0.06 -0.20 -1.01 -1.11 0.00 0.00 175.55 173.11 1pg0 s HIS 291 N -0.20 2.77 -0.23 2.71 3.76 -1.07 -1.51 115.29 121.53 1pg0 s HIS 291 Ca 0.03 -1.59 -0.17 0.00 -0.15 0.00 0.00 55.06 53.18 1pg0 s HIS 291 Cb -0.07 -1.91 -0.03 0.00 1.11 0.00 0.00 32.58 31.68 1pg0 s HIS 291 CO 0.00 -0.77 0.45 -0.06 -0.85 0.00 0.00 174.74 173.51 1pg0 s PHE 292 N 1.21 3.33 0.17 1.40 0.40 -0.19 -0.88 117.98 123.43 1pg0 s PHE 292 Ca 0.03 0.62 -0.08 0.00 -0.60 0.00 0.00 56.93 56.90 1pg0 s PHE 292 Cb -0.13 -2.61 -0.01 0.00 0.51 0.00 0.00 43.02 40.77 1pg0 s PHE 292 CO -0.11 -0.13 0.28 0.96 0.70 0.00 0.00 175.22 176.92 1pg0 s ILE 293 N 1.73 0.06 0.41 0.64 -4.36 -0.55 -2.34 121.20 116.78 1pg0 s ILE 293 Ca 0.20 -1.46 -0.01 0.00 -0.26 0.00 0.00 60.65 59.12 1pg0 s ILE 293 Cb -0.15 -1.94 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 1pg0 s ILE 293 CO 0.09 -0.25 0.64 -0.83 0.24 0.00 0.00 174.94 174.83 1pg0 s GLY 294 N -2.99 1.44 0.00 6.27 0.00 -1.26 -1.57 107.32 109.20 1pg0 s GLY 294 Ca 0.20 -0.84 0.09 0.00 0.00 0.00 0.00 44.72 44.17 1pg0 s GLY 294 CO 0.02 -0.73 1.29 0.58 0.00 0.00 0.00 173.10 174.26 1pg0 n LYS 295 N -1.99 0.02 0.00 2.90 2.85 -1.16 -2.60 118.16 118.17 1pg0 n LYS 295 Ca -0.02 0.32 0.14 0.00 -1.05 0.00 0.00 58.31 57.71 1pg0 n LYS 295 Cb 0.56 -1.50 0.65 0.00 -0.65 0.00 0.00 35.03 34.10 1pg0 n LYS 295 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1pg0 n ASP 296 N -1.48 0.30 -0.47 -5.58 5.75 -1.26 -3.72 116.55 110.09 1pg0 n ASP 296 Ca 0.03 -0.40 0.05 0.00 -0.01 0.00 0.00 54.79 54.45 1pg0 n ASP 296 Cb 0.11 -0.14 0.08 0.00 -1.03 0.00 0.00 41.12 40.13 1pg0 n ASP 296 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1pg0 n ILE 297 N -1.09 0.97 0.02 2.12 -5.35 -1.07 -4.81 119.36 110.14 1pg0 n ILE 297 Ca 0.14 -1.35 -0.03 0.00 -0.27 0.00 0.00 62.75 61.25 1pg0 n ILE 297 Cb 0.27 0.19 0.23 0.00 -1.74 0.00 0.00 39.64 38.59 1pg0 n ILE 297 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1pg0 h VAL 298 N 3.66 1.25 -0.23 7.28 2.07 -1.67 -3.03 116.25 125.59 1pg0 h VAL 298 Ca -0.03 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.32 1pg0 h VAL 298 Cb 1.26 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1pg0 h VAL 298 CO 0.01 0.38 0.10 0.22 0.02 0.00 0.00 177.57 178.29 1pg0 h TYR 299 N 0.41 0.18 -0.76 1.57 3.20 -1.87 0.19 116.97 119.88 1pg0 h TYR 299 Ca 0.07 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1pg0 h TYR 299 Cb 0.61 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 1pg0 h TYR 299 CO 0.02 0.09 0.38 0.74 -1.64 0.00 0.00 178.16 177.75 1pg0 h PHE 300 N 0.21 1.08 0.00 -3.82 -1.00 -1.93 -1.67 116.94 109.81 1pg0 h PHE 300 Ca 0.10 -0.04 -0.12 0.00 2.81 0.00 0.00 57.97 60.71 1pg0 h PHE 300 Cb 0.04 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 39.25 1pg0 h PHE 300 CO -0.11 0.77 -0.84 0.45 -1.61 0.00 0.00 178.31 176.98 1pg0 h HIS 301 N 1.08 0.00 0.00 -0.55 3.86 -1.36 0.27 115.15 118.45 1pg0 h HIS 301 Ca 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1pg0 h HIS 301 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1pg0 h HIS 301 CO 0.01 0.52 -1.70 -1.13 0.86 0.00 0.00 177.93 176.49 1pg0 n SER 302 N -3.09 0.28 0.00 2.45 3.41 0.64 -4.24 113.62 113.07 1pg0 n SER 302 Ca -0.02 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 1pg0 n SER 302 Cb 0.77 1.68 0.00 0.00 -0.26 0.00 0.00 64.21 66.40 1pg0 n SER 302 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pg0 n LEU 303 N -2.08 0.00 0.01 1.04 4.77 -0.64 -4.68 117.00 115.43 1pg0 n LEU 303 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1pg0 n LEU 303 Cb 0.51 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1pg0 n LEU 303 CO 0.45 -0.26 0.57 -0.26 -1.33 0.00 0.00 177.39 176.55 1pg0 h PHE 304 N 0.00 -1.28 -0.14 -1.77 0.04 -1.61 -2.49 116.94 109.69 1pg0 h PHE 304 Ca 0.00 0.05 0.05 0.00 2.80 0.00 0.00 57.97 60.87 1pg0 h PHE 304 Cb 0.00 0.58 -0.06 0.00 2.20 0.00 0.00 35.95 38.66 1pg0 h PHE 304 CO 0.00 -0.50 -0.34 2.35 -0.60 0.00 0.00 178.31 179.22 1pg0 h TRP 305 N -0.53 -0.94 -0.95 -0.55 -0.00 -1.19 0.15 115.95 111.93 1pg0 h TRP 305 Ca 0.06 0.04 0.01 0.00 -0.00 0.00 0.00 58.89 59.00 1pg0 h TRP 305 Cb 0.65 0.43 -0.05 0.00 -0.00 0.00 0.00 29.16 30.19 1pg0 h TRP 305 CO -0.49 -0.41 0.63 -1.35 -0.00 0.00 0.00 178.44 176.82 1pg0 h PRO 306 N -0.41 1.26 -0.29 2.65 0.11 -1.72 -2.11 132.00 131.48 1pg0 h PRO 306 Ca 0.09 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1pg0 h PRO 306 Cb 0.56 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1pg0 h PRO 306 CO -0.37 0.83 0.15 0.00 -0.21 0.00 0.00 178.00 178.41 1pg0 h ALA 307 N 1.35 0.37 -0.78 -0.75 0.00 -0.95 0.27 119.26 118.77 1pg0 h ALA 307 Ca 0.35 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1pg0 h ALA 307 Cb -0.15 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1pg0 h ALA 307 CO -0.08 -0.09 0.48 0.52 0.00 0.00 0.00 179.25 180.08 1pg0 h MET 308 N 0.35 0.89 -0.20 0.00 2.86 -0.38 -0.89 114.93 117.55 1pg0 h MET 308 Ca 0.10 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1pg0 h MET 308 Cb 0.07 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1pg0 h MET 308 CO -0.02 0.59 -0.05 -0.07 1.06 0.00 0.00 176.91 178.42 1pg0 h LEU 309 N 0.92 0.40 0.04 1.22 3.38 -1.13 -2.70 115.31 117.43 1pg0 h LEU 309 Ca 0.33 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1pg0 h LEU 309 Cb 0.08 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1pg0 h LEU 309 CO -0.14 0.67 -0.21 -0.08 0.09 0.00 0.00 178.44 178.77 1pg0 h GLU 310 N 0.12 -0.35 0.00 1.13 4.57 -0.55 -0.22 114.58 119.28 1pg0 h GLU 310 Ca 0.05 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1pg0 h GLU 310 Cb 0.50 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1pg0 h GLU 310 CO 0.02 -0.23 0.00 0.41 -1.18 0.00 0.00 179.01 178.03 1pg0 n GLY 311 N -1.34 -0.90 0.67 1.92 0.00 -0.38 -2.37 105.19 102.80 1pg0 n GLY 311 Ca -0.05 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1pg0 n GLY 311 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pg0 n SER 312 N -1.70 3.33 -2.56 1.61 3.41 -0.85 -4.34 113.62 112.52 1pg0 n SER 312 Ca 0.02 -2.69 -0.17 0.00 -0.26 0.00 0.00 58.87 55.76 1pg0 n SER 312 Cb 0.12 -0.41 0.04 0.00 -0.26 0.00 0.00 64.21 63.70 1pg0 n SER 312 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pg0 n ASN 313 N -0.35 -5.16 -4.45 4.04 2.85 -1.00 -5.00 115.26 106.19 1pg0 n ASN 313 Ca 0.17 -0.30 -0.25 0.00 -0.11 0.00 0.00 54.58 54.08 1pg0 n ASN 313 Cb 0.70 -3.90 -0.11 0.00 1.24 0.00 0.00 39.78 37.71 1pg0 n ASN 313 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1pg0 s PHE 314 N -3.12 2.28 0.71 1.20 0.40 -0.15 -3.84 117.98 115.45 1pg0 s PHE 314 Ca 0.33 -0.35 -0.12 0.00 -0.60 0.00 0.00 56.93 56.18 1pg0 s PHE 314 Cb -0.14 -1.05 0.02 0.00 0.51 0.00 0.00 43.02 42.36 1pg0 s PHE 314 CO 0.40 0.61 1.08 -0.98 0.70 0.00 0.00 175.22 177.04 1pg0 s ARG 315 N -3.14 2.67 0.36 0.44 1.04 -0.39 -3.88 118.95 116.05 1pg0 s ARG 315 Ca 0.26 1.18 0.06 0.00 -1.04 0.00 0.00 55.73 56.19 1pg0 s ARG 315 Cb -0.06 -1.95 -0.01 0.00 -2.04 0.00 0.00 34.95 30.90 1pg0 s ARG 315 CO 0.12 -1.33 0.51 0.15 -0.04 0.00 0.00 175.30 174.72 1pg0 s LYS 316 N -4.63 3.06 0.45 3.89 1.02 -1.26 -4.79 119.74 117.48 1pg0 s LYS 316 Ca 0.62 -0.99 -0.25 0.00 0.02 0.00 0.00 55.97 55.36 1pg0 s LYS 316 Cb -0.17 -2.79 -0.08 0.00 -0.52 0.00 0.00 37.83 34.27 1pg0 s LYS 316 CO 0.50 -0.02 1.40 -2.14 -0.92 0.00 0.00 175.35 174.16 1pg0 s PRO 317 N -4.24 3.72 0.22 -1.68 0.02 -1.26 -4.85 135.00 126.93 1pg0 s PRO 317 Ca 0.47 2.35 -0.00 0.00 0.02 0.00 0.00 61.00 63.83 1pg0 s PRO 317 Cb -0.10 -2.66 0.21 0.00 0.02 0.00 0.00 34.50 31.97 1pg0 s PRO 317 CO 0.32 -0.76 1.56 0.77 -0.33 0.00 0.00 177.00 178.56 1pg0 h SER 318 N 2.35 0.51 -4.66 2.53 0.02 -0.73 -3.47 113.55 110.10 1pg0 h SER 318 Ca -0.51 -0.26 0.11 0.00 -0.84 0.00 0.00 61.79 60.30 1pg0 h SER 318 Cb 1.26 -0.15 -0.15 0.00 0.14 0.00 0.00 62.40 63.51 1pg0 h SER 318 CO 0.61 0.92 0.49 0.21 -1.14 0.00 0.00 176.83 177.92 1pg0 s ASN 319 N -6.89 -0.37 -0.12 3.07 3.84 -1.02 -4.89 114.94 108.55 1pg0 s ASN 319 Ca -0.06 -0.01 0.03 0.00 0.21 0.00 0.00 52.86 53.03 1pg0 s ASN 319 Cb 0.12 0.39 0.00 0.00 -0.55 0.00 0.00 41.25 41.21 1pg0 s ASN 319 CO 0.82 -0.64 -0.21 -0.76 -2.79 0.00 0.00 177.10 173.52 1pg0 s LEU 320 N -2.50 2.22 -0.41 3.21 1.43 -1.26 -2.58 118.68 118.80 1pg0 s LEU 320 Ca 0.05 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1pg0 s LEU 320 Cb -0.01 -1.46 0.09 0.00 0.03 0.00 0.00 46.19 44.84 1pg0 s LEU 320 CO -0.09 0.13 0.21 -0.36 0.23 0.00 0.00 176.35 176.47 1pg0 s PHE 321 N 0.54 3.44 -0.13 0.29 2.99 -0.06 -4.54 117.98 120.52 1pg0 s PHE 321 Ca -0.13 -1.98 -0.10 0.00 0.00 0.00 0.00 56.93 54.73 1pg0 s PHE 321 Cb -0.17 -3.02 -0.05 0.00 0.00 0.00 0.00 43.02 39.79 1pg0 s PHE 321 CO 0.04 -0.91 0.19 0.08 -0.00 0.00 0.00 175.22 174.62 1pg0 s VAL 322 N 1.28 5.40 0.37 -0.44 1.01 -1.26 -1.49 120.40 125.26 1pg0 s VAL 322 Ca 0.04 0.33 0.09 0.00 0.00 0.00 0.00 61.98 62.44 1pg0 s VAL 322 Cb -0.23 -3.49 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 1pg0 s VAL 322 CO -0.01 0.54 -0.05 -1.38 0.00 0.00 0.00 175.10 174.19 1pg0 s HIS 323 N -0.47 2.45 0.05 5.22 -3.43 -0.61 -4.33 115.29 114.17 1pg0 s HIS 323 Ca 0.15 -0.55 -0.00 0.00 -0.80 0.00 0.00 55.06 53.85 1pg0 s HIS 323 Cb -0.12 -1.52 0.01 0.00 -1.43 0.00 0.00 32.58 29.51 1pg0 s HIS 323 CO 0.04 0.53 0.06 0.41 -2.00 0.00 0.00 174.74 173.78 1pg0 n GLY 324 N -0.86 0.53 3.89 -1.38 0.00 -1.15 -3.00 105.19 103.21 1pg0 n GLY 324 Ca -0.05 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 1pg0 n GLY 324 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pg0 s TYR 325 N -0.11 3.46 -0.03 1.61 4.12 -1.26 -4.74 117.35 120.40 1pg0 s TYR 325 Ca 0.04 0.74 -0.19 0.00 0.02 0.00 0.00 57.07 57.68 1pg0 s TYR 325 Cb -0.00 -2.17 -0.05 0.00 -1.52 0.00 0.00 41.96 38.21 1pg0 s TYR 325 CO 0.03 0.20 0.53 0.08 0.02 0.00 0.00 175.55 176.41 1pg0 s VAL 326 N -1.99 5.00 0.25 0.71 1.01 -1.26 -0.72 120.40 123.39 1pg0 s VAL 326 Ca 0.45 1.10 0.11 0.00 0.00 0.00 0.00 61.98 63.65 1pg0 s VAL 326 Cb -0.11 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1pg0 s VAL 326 CO 0.27 0.42 -0.19 0.42 0.00 0.00 0.00 175.10 176.02 1pg0 s THR 327 N -0.12 2.57 -0.10 3.92 -4.23 -0.40 -4.63 115.64 112.64 1pg0 s THR 327 Ca 0.28 -2.21 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 1pg0 s THR 327 Cb -0.17 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.36 1pg0 s THR 327 CO 0.15 -0.30 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.04 1pg0 s VAL 328 N -2.20 1.77 -1.43 2.29 1.01 0.47 -0.59 120.40 121.73 1pg0 s VAL 328 Ca 0.27 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1pg0 s VAL 328 Cb -0.06 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.78 1pg0 s VAL 328 CO 0.14 0.50 0.44 0.59 0.00 0.00 0.00 175.10 176.77 1pg0 n ASN 329 N 3.81 -5.05 0.00 3.32 3.02 -0.60 -1.93 115.26 117.83 1pg0 n ASN 329 Ca -0.20 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1pg0 n ASN 329 Cb 0.52 -4.13 0.00 0.00 -0.61 0.00 0.00 39.78 35.56 1pg0 n ASN 329 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pg0 n GLY 330 N -1.28 1.63 3.38 7.41 0.00 -1.26 -5.03 105.19 110.05 1pg0 n GLY 330 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 1pg0 n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg0 s ALA 331 N -3.13 2.09 0.64 4.61 0.00 -0.81 -5.03 121.76 120.13 1pg0 s ALA 331 Ca 0.00 -1.84 -0.18 0.00 0.00 0.00 0.00 51.96 49.95 1pg0 s ALA 331 Cb 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 1pg0 s ALA 331 CO 0.00 -0.16 1.08 1.17 0.00 0.00 0.00 175.76 177.85 1pg0 n LYS 332 N -0.50 0.89 -1.70 0.00 4.81 -1.26 -0.39 118.16 120.00 1pg0 n LYS 332 Ca -0.05 0.35 -0.42 0.00 -0.87 0.00 0.00 58.31 57.32 1pg0 n LYS 332 Cb 0.64 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1pg0 n LYS 332 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1pg0 n MET 333 N -1.51 2.08 -3.90 1.64 2.81 -1.26 -4.68 117.12 112.30 1pg0 n MET 333 Ca 0.15 0.73 -0.27 0.00 -1.81 0.00 0.00 57.70 56.50 1pg0 n MET 333 Cb 0.48 -2.36 -0.17 0.00 -0.71 0.00 0.00 33.22 30.46 1pg0 n MET 333 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pg0 s SER 334 N -0.38 2.18 0.16 7.83 0.15 -1.26 -4.78 113.70 117.59 1pg0 s SER 334 Ca 0.57 -0.30 -0.14 0.00 0.70 0.00 0.00 55.95 56.78 1pg0 s SER 334 Cb -0.54 -0.83 0.04 0.00 -1.71 0.00 0.00 66.02 62.99 1pg0 s SER 334 CO 0.61 -0.12 1.73 0.11 1.20 0.00 0.00 173.24 176.76 1pg0 h LYS 335 N 8.18 0.75 0.00 5.44 1.57 -1.92 -0.30 116.57 130.30 1pg0 h LYS 335 Ca -0.29 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 1pg0 h LYS 335 Cb 1.13 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 1pg0 h LYS 335 CO 0.40 0.63 -0.13 0.66 -0.57 0.00 0.00 179.45 180.45 1pg0 h SER 336 N 0.68 0.00 0.26 0.86 4.64 -1.93 -1.73 113.55 116.33 1pg0 h SER 336 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1pg0 h SER 336 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1pg0 h SER 336 CO -0.02 0.13 -0.37 0.54 -0.87 0.00 0.00 176.83 176.24 1pg0 n ARG 337 N -4.36 0.65 -1.67 4.77 1.74 -0.98 -4.94 116.66 111.87 1pg0 n ARG 337 Ca -0.03 -0.41 -0.05 0.00 -0.77 0.00 0.00 57.85 56.59 1pg0 n ARG 337 Cb 0.20 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 1pg0 n ARG 337 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pg0 n GLY 338 N 1.39 0.43 0.77 -0.13 0.00 -0.49 -4.87 105.19 102.29 1pg0 n GLY 338 Ca 0.10 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.45 1pg0 n GLY 338 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pg0 n THR 339 N -3.49 0.48 -3.11 2.61 -2.24 -0.24 -4.51 114.28 103.78 1pg0 n THR 339 Ca -0.05 -0.74 -0.45 0.00 -2.27 0.00 0.00 64.05 60.54 1pg0 n THR 339 Cb 0.37 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 1pg0 n THR 339 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1pg0 s PHE 340 N -1.17 3.21 -0.23 4.78 5.36 -1.17 -4.17 117.98 124.58 1pg0 s PHE 340 Ca 0.26 -1.32 -0.08 0.00 -0.96 0.00 0.00 56.93 54.83 1pg0 s PHE 340 Cb 0.15 -4.05 -0.04 0.00 -0.34 0.00 0.00 43.02 38.75 1pg0 s PHE 340 CO 0.21 -1.28 0.08 0.42 -1.46 0.00 0.00 175.22 173.19 1pg0 s ILE 341 N 2.11 4.59 0.48 3.12 1.01 -1.26 -4.90 121.20 126.35 1pg0 s ILE 341 Ca 0.19 -0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.56 1pg0 s ILE 341 Cb -0.15 -3.12 -0.09 0.00 0.01 0.00 0.00 42.46 39.11 1pg0 s ILE 341 CO -0.02 0.37 1.00 -0.54 0.00 0.00 0.00 174.94 175.76 1pg0 s LYS 342 N 1.17 3.93 0.18 2.79 1.02 -1.26 -0.99 119.74 126.57 1pg0 s LYS 342 Ca 0.05 1.20 -0.12 0.00 0.02 0.00 0.00 55.97 57.12 1pg0 s LYS 342 Cb -0.14 -2.12 0.10 0.00 -0.52 0.00 0.00 37.83 35.14 1pg0 s LYS 342 CO 0.04 -0.30 1.80 0.00 -0.92 0.00 0.00 175.35 175.96 1pg0 h ALA 343 N 1.48 0.81 -0.74 5.17 0.00 -1.29 -1.09 119.26 123.60 1pg0 h ALA 343 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1pg0 h ALA 343 Cb 1.20 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1pg0 h ALA 343 CO 0.60 0.33 0.48 0.66 0.00 0.00 0.00 179.25 181.32 1pg0 h SER 344 N 0.86 0.86 -0.43 0.00 4.64 -1.93 -2.61 113.55 114.95 1pg0 h SER 344 Ca 0.22 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.46 1pg0 h SER 344 Cb 0.04 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1pg0 h SER 344 CO -0.04 0.64 0.08 0.74 -0.87 0.00 0.00 176.83 177.38 1pg0 h THR 345 N 1.01 1.24 -0.58 2.95 2.02 -1.84 -2.88 112.91 114.83 1pg0 h THR 345 Ca 0.27 -0.86 0.11 0.00 0.77 0.00 0.00 66.41 66.69 1pg0 h THR 345 Cb -0.10 0.98 -0.08 0.00 -1.74 0.00 0.00 68.15 67.21 1pg0 h THR 345 CO -0.06 0.30 0.13 -0.25 0.37 0.00 0.00 175.52 176.02 1pg0 h TRP 346 N 0.56 0.22 0.00 3.16 2.91 -0.92 -1.35 115.95 120.52 1pg0 h TRP 346 Ca 0.13 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1pg0 h TRP 346 Cb 0.36 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.00 1pg0 h TRP 346 CO 0.02 -0.01 0.00 -0.07 -1.03 0.00 0.00 178.44 177.35 1pg0 h LEU 347 N 0.27 0.00 -0.76 0.65 3.38 -1.26 0.83 115.31 118.42 1pg0 h LEU 347 Ca 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 1pg0 h LEU 347 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1pg0 h LEU 347 CO -0.38 0.00 -0.20 0.78 0.09 0.00 0.00 178.44 178.73 1pg0 h ASN 348 N 0.00 0.00 0.00 -0.43 -0.26 -1.14 -3.37 115.58 110.38 1pg0 h ASN 348 Ca 0.00 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.53 1pg0 h ASN 348 Cb 0.25 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.47 1pg0 h ASN 348 CO 0.00 0.20 -1.80 1.41 -1.06 0.00 0.00 177.43 176.18 1pg0 n HIS 349 N -3.26 0.00 -4.43 1.19 8.25 -0.49 -5.07 115.22 111.41 1pg0 n HIS 349 Ca 0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.26 1pg0 n HIS 349 Cb 0.48 -0.54 -0.11 0.00 1.12 0.00 0.00 29.99 30.95 1pg0 n HIS 349 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1pg0 s PHE 350 N -2.28 1.92 0.80 4.41 0.40 0.17 -5.05 117.98 118.34 1pg0 s PHE 350 Ca -0.19 -0.90 -0.06 0.00 -0.60 0.00 0.00 56.93 55.18 1pg0 s PHE 350 Cb 0.05 -1.21 0.15 0.00 0.51 0.00 0.00 43.02 42.51 1pg0 s PHE 350 CO 0.32 0.06 1.10 0.16 0.70 0.00 0.00 175.22 177.56 1pg0 s ASP 351 N -3.46 3.98 0.08 1.36 -4.77 -1.26 -4.13 116.67 108.47 1pg0 s ASP 351 Ca 0.34 -0.08 -0.11 0.00 -3.30 0.00 0.00 52.55 49.39 1pg0 s ASP 351 Cb 0.07 -0.21 -0.24 0.00 -1.09 0.00 0.00 42.92 41.46 1pg0 s ASP 351 CO 0.14 -2.13 1.17 0.00 0.70 0.00 0.00 175.17 175.05 1pg0 h ALA 352 N -0.90 0.11 -0.98 2.11 0.00 -1.95 -3.33 119.26 114.32 1pg0 h ALA 352 Ca -0.40 -0.76 0.16 0.00 0.00 0.00 0.00 54.91 53.92 1pg0 h ALA 352 Cb 1.26 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 1pg0 h ALA 352 CO 0.41 0.74 0.61 -0.44 0.00 0.00 0.00 179.25 180.58 1pg0 h ASP 353 N 0.27 0.79 -0.25 0.00 3.32 -1.92 -1.27 116.42 117.36 1pg0 h ASP 353 Ca -0.15 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1pg0 h ASP 353 Cb 1.81 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 41.26 1pg0 h ASP 353 CO 0.21 0.36 0.17 0.77 -1.72 0.00 0.00 179.24 179.02 1pg0 h SER 354 N 0.81 0.30 -0.17 6.45 4.64 -1.96 0.11 113.55 123.73 1pg0 h SER 354 Ca 0.52 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.65 1pg0 h SER 354 Cb 0.75 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1pg0 h SER 354 CO -0.30 0.22 -0.52 0.25 -0.87 0.00 0.00 176.83 175.62 1pg0 h LEU 355 N 0.34 0.83 -0.42 5.97 5.85 -1.63 -1.69 115.31 124.56 1pg0 h LEU 355 Ca 0.09 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1pg0 h LEU 355 Cb -0.03 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1pg0 h LEU 355 CO -0.02 1.19 0.23 0.03 -0.34 0.00 0.00 178.44 179.53 1pg0 h ARG 356 N 0.58 0.45 0.00 1.25 3.08 -0.97 -0.74 114.38 118.04 1pg0 h ARG 356 Ca 0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1pg0 h ARG 356 Cb 1.10 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1pg0 h ARG 356 CO 0.11 0.30 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.39 1pg0 h TYR 357 N 0.47 -0.01 -0.35 3.04 3.20 -0.68 -1.81 116.97 120.83 1pg0 h TYR 357 Ca 0.17 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1pg0 h TYR 357 Cb 0.05 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1pg0 h TYR 357 CO -0.08 0.09 0.17 -0.92 -1.64 0.00 0.00 178.16 175.78 1pg0 h TYR 358 N -0.10 0.30 -0.52 -3.82 3.20 -0.98 -0.61 116.97 114.44 1pg0 h TYR 358 Ca -0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1pg0 h TYR 358 Cb 0.10 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1pg0 h TYR 358 CO -0.04 0.16 0.22 1.88 -1.64 0.00 0.00 178.16 178.74 1pg0 h TYR 359 N 0.34 0.78 -0.70 -3.82 0.99 -1.14 -2.96 116.97 110.47 1pg0 h TYR 359 Ca 0.15 -0.05 -0.03 0.00 2.00 0.00 0.00 58.73 60.79 1pg0 h TYR 359 Cb 0.07 -0.24 -0.03 0.00 1.00 0.00 0.00 36.73 37.53 1pg0 h TYR 359 CO -0.10 0.63 0.31 1.15 -0.00 0.00 0.00 178.16 180.15 1pg0 h THR 360 N 0.70 1.23 0.00 -2.88 2.02 -0.90 -0.26 112.91 112.83 1pg0 h THR 360 Ca 0.18 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 1pg0 h THR 360 Cb 0.17 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1pg0 h THR 360 CO -0.02 0.29 -0.06 0.00 0.37 0.00 0.00 175.52 176.10 1pg0 h ALA 361 N 1.33 1.16 0.00 6.16 0.00 -0.96 -2.96 119.26 124.00 1pg0 h ALA 361 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pg0 h ALA 361 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pg0 h ALA 361 CO -0.03 0.07 -1.12 1.63 0.00 0.00 0.00 179.25 179.81 1pg0 n LYS 362 N -3.40 1.34 -2.21 0.00 5.02 -0.75 -4.31 118.16 113.85 1pg0 n LYS 362 Ca -0.02 -0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 55.88 1pg0 n LYS 362 Cb 0.20 -1.29 -0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1pg0 n LYS 362 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pg0 s LEU 363 N -3.27 3.62 0.00 -0.35 1.43 -0.18 -4.80 118.68 115.13 1pg0 s LEU 363 Ca 0.01 1.89 -0.01 0.00 -1.03 0.00 0.00 54.13 54.99 1pg0 s LEU 363 Cb 0.11 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.79 1pg0 s LEU 363 CO 0.65 -1.07 0.28 -1.54 0.23 0.00 0.00 176.35 174.89 1pg0 n SER 364 N -1.65 -0.77 -0.05 2.29 3.41 -1.26 -0.41 113.62 115.18 1pg0 n SER 364 Ca 0.09 -2.03 0.16 0.00 -0.26 0.00 0.00 58.87 56.83 1pg0 n SER 364 Cb 0.52 1.43 0.89 0.00 -0.26 0.00 0.00 64.21 66.80 1pg0 n SER 364 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pg0 n SER 365 N -1.83 0.14 -4.97 4.04 3.41 -1.15 -4.77 113.62 108.49 1pg0 n SER 365 Ca 0.00 -0.97 -0.21 0.00 -0.26 0.00 0.00 58.87 57.43 1pg0 n SER 365 Cb 0.32 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.28 1pg0 n SER 365 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1pg0 s ARG 366 N -2.06 2.66 -0.11 4.33 0.52 -1.26 -4.95 118.95 118.09 1pg0 s ARG 366 Ca 0.45 -0.79 0.10 0.00 -0.52 0.00 0.00 55.73 54.97 1pg0 s ARG 366 Cb 0.22 -2.53 0.48 0.00 0.52 0.00 0.00 34.95 33.63 1pg0 s ARG 366 CO 0.38 -0.58 1.29 0.44 0.02 0.00 0.00 175.30 176.84 1pg0 n ILE 367 N -2.23 1.41 -1.83 1.52 -5.35 -1.26 -4.55 119.36 107.07 1pg0 n ILE 367 Ca 0.07 -0.80 -0.36 0.00 -0.27 0.00 0.00 62.75 61.40 1pg0 n ILE 367 Cb 0.59 -0.19 0.05 0.00 -1.74 0.00 0.00 39.64 38.36 1pg0 n ILE 367 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1pg0 s ASP 368 N -0.62 4.86 0.52 7.28 -0.00 -1.26 -2.95 116.67 124.50 1pg0 s ASP 368 Ca 0.33 2.41 -0.21 0.00 -0.00 0.00 0.00 52.55 55.08 1pg0 s ASP 368 Cb 0.23 -2.60 -0.06 0.00 -0.00 0.00 0.00 42.92 40.49 1pg0 s ASP 368 CO 0.13 -1.82 1.15 -1.81 -0.00 0.00 0.00 175.17 172.82 1pg0 s ASP 369 N -1.69 5.82 -0.21 0.27 -0.00 -1.26 -3.33 116.67 116.27 1pg0 s ASP 369 Ca 0.77 2.25 -0.04 0.00 -0.00 0.00 0.00 52.55 55.53 1pg0 s ASP 369 Cb -0.31 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.00 1pg0 s ASP 369 CO 0.37 -1.15 -0.02 -0.63 -0.00 0.00 0.00 175.17 173.74 1pg0 s ILE 370 N -1.67 3.61 -0.22 0.77 -1.09 0.10 -4.91 121.20 117.78 1pg0 s ILE 370 Ca 0.70 -0.42 -0.13 0.00 -2.23 0.00 0.00 60.65 58.57 1pg0 s ILE 370 Cb -0.26 -2.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.93 1pg0 s ILE 370 CO 0.30 0.42 0.26 -0.62 -1.23 0.00 0.00 174.94 174.07 1pg0 s ASP 371 N 1.28 6.26 -0.86 3.58 3.68 -1.26 -1.28 116.67 128.06 1pg0 s ASP 371 Ca 0.04 0.29 -0.15 0.00 2.13 0.00 0.00 52.55 54.85 1pg0 s ASP 371 Cb -0.14 -2.16 0.19 0.00 -1.45 0.00 0.00 42.92 39.36 1pg0 s ASP 371 CO -0.01 0.01 0.88 -0.22 0.13 0.00 0.00 175.17 175.97 1pg0 s LEU 372 N 1.11 6.26 -0.45 -1.34 2.96 0.24 -4.95 118.68 122.50 1pg0 s LEU 372 Ca 0.12 -2.52 -0.26 0.00 -0.22 0.00 0.00 54.13 51.25 1pg0 s LEU 372 Cb -0.14 -2.27 0.03 0.00 0.50 0.00 0.00 46.19 44.31 1pg0 s LEU 372 CO 0.06 -0.71 0.97 0.21 -1.32 0.00 0.00 176.35 175.55 1pg0 s ASN 373 N 2.58 6.55 0.25 3.68 3.84 -1.26 -1.56 114.94 129.01 1pg0 s ASN 373 Ca 0.23 0.24 -0.03 0.00 0.21 0.00 0.00 52.86 53.50 1pg0 s ASN 373 Cb -0.08 -2.47 0.45 0.00 -0.55 0.00 0.00 41.25 38.59 1pg0 s ASN 373 CO -0.09 -1.07 1.78 -0.07 -2.79 0.00 0.00 177.10 174.86 1pg0 h LEU 374 N 10.65 0.57 0.01 3.21 3.38 -1.95 0.97 115.31 132.15 1pg0 h LEU 374 Ca -0.24 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1pg0 h LEU 374 Cb 1.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1pg0 h LEU 374 CO 1.04 0.29 -0.00 -0.33 0.09 0.00 0.00 178.44 179.53 1pg0 h GLU 375 N 0.69 -0.01 -0.50 1.13 4.39 -2.01 -2.71 114.58 115.56 1pg0 h GLU 375 Ca 0.42 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.13 1pg0 h GLU 375 Cb 0.50 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1pg0 h GLU 375 CO -0.30 0.08 0.33 0.22 -1.16 0.00 0.00 179.01 178.17 1pg0 h ASP 376 N -0.10 0.56 -0.01 1.42 3.58 -1.79 -2.98 116.42 117.10 1pg0 h ASP 376 Ca -0.00 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.47 1pg0 h ASP 376 Cb 0.10 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 1pg0 h ASP 376 CO 0.00 0.40 -0.27 0.15 -2.88 0.00 0.00 179.24 176.65 1pg0 h PHE 377 N 0.66 -0.73 -0.50 0.28 3.57 -0.50 0.15 116.94 119.87 1pg0 h PHE 377 Ca 0.18 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1pg0 h PHE 377 Cb -0.06 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1pg0 h PHE 377 CO -0.00 -0.36 0.30 0.28 -2.23 0.00 0.00 178.31 176.30 1pg0 h VAL 378 N -0.40 1.15 -0.37 1.41 2.07 -1.46 -1.78 116.25 116.87 1pg0 h VAL 378 Ca 0.07 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1pg0 h VAL 378 Cb 0.50 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1pg0 h VAL 378 CO -0.24 0.16 0.19 1.56 0.02 0.00 0.00 177.57 179.26 1pg0 h GLN 379 N 0.68 0.52 -0.23 1.57 4.20 -1.40 -2.31 115.11 118.13 1pg0 h GLN 379 Ca 0.18 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1pg0 h GLN 379 Cb -0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1pg0 h GLN 379 CO -0.03 0.44 0.09 0.00 -0.67 0.00 0.00 178.83 178.66 1pg0 h ARG 380 N 0.47 0.35 -0.10 1.46 2.47 -0.55 -0.92 114.38 117.55 1pg0 h ARG 380 Ca 0.13 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1pg0 h ARG 380 Cb 0.08 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1pg0 h ARG 380 CO -0.02 0.41 0.06 0.28 0.56 0.00 0.00 179.97 181.26 1pg0 h VAL 381 N 0.22 1.07 -0.56 2.04 2.07 -1.30 -0.30 116.25 119.49 1pg0 h VAL 381 Ca 0.08 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 1pg0 h VAL 381 Cb 0.19 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1pg0 h VAL 381 CO -0.01 0.06 -0.01 0.78 0.02 0.00 0.00 177.57 178.42 1pg0 h ASN 382 N 0.09 0.98 -0.21 0.57 2.35 -1.42 -1.80 115.58 116.15 1pg0 h ASN 382 Ca 0.04 -0.31 -0.07 0.00 -0.55 0.00 0.00 56.30 55.41 1pg0 h ASN 382 Cb 0.05 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1pg0 h ASN 382 CO -0.01 1.05 -0.14 0.00 -1.65 0.00 0.00 177.43 176.69 1pg0 h ALA 383 N 0.96 0.30 0.00 -0.83 0.00 -1.05 0.29 119.26 118.93 1pg0 h ALA 383 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pg0 h ALA 383 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pg0 h ALA 383 CO 0.03 0.17 -0.23 -0.44 0.00 0.00 0.00 179.25 178.78 1pg0 h ASP 384 N 0.15 0.00 0.42 0.00 3.32 -1.09 -2.63 116.42 116.58 1pg0 h ASP 384 Ca 0.04 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1pg0 h ASP 384 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1pg0 h ASP 384 CO 0.04 0.58 -0.20 0.40 -1.72 0.00 0.00 179.24 178.34 1pg0 h ILE 385 N -0.93 0.50 0.09 0.35 1.08 -1.49 -1.58 117.51 115.53 1pg0 h ILE 385 Ca 0.00 -0.48 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1pg0 h ILE 385 Cb 0.23 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1pg0 h ILE 385 CO 0.00 0.08 -0.04 0.58 -0.69 0.00 0.00 178.15 178.07 1pg0 h VAL 386 N -0.88 1.09 0.00 1.67 2.07 -1.45 0.12 116.25 118.87 1pg0 h VAL 386 Ca -0.06 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.02 1pg0 h VAL 386 Cb 0.56 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1pg0 h VAL 386 CO 0.09 0.30 -0.24 0.78 0.02 0.00 0.00 177.57 178.53 1pg0 h ASN 387 N -0.84 0.00 0.00 0.57 -0.26 -0.46 -1.86 115.58 112.74 1pg0 h ASN 387 Ca -0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1pg0 h ASN 387 Cb 0.59 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.85 1pg0 h ASN 387 CO 0.02 0.24 -0.71 0.29 -1.06 0.00 0.00 177.43 176.20 1pg0 n LYS 388 N -3.20 0.37 0.04 0.81 5.02 -0.92 -4.57 118.16 115.71 1pg0 n LYS 388 Ca 0.02 0.15 -0.03 0.00 -2.02 0.00 0.00 58.31 56.43 1pg0 n LYS 388 Cb 0.57 -1.14 -0.01 0.00 -0.02 0.00 0.00 35.03 34.43 1pg0 n LYS 388 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pg0 h VAL 389 N -0.69 0.00 -0.61 -0.18 2.07 -1.28 -3.25 116.25 112.30 1pg0 h VAL 389 Ca -0.01 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.06 1pg0 h VAL 389 Cb 0.70 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1pg0 h VAL 389 CO -0.00 0.00 0.41 0.58 0.02 0.00 0.00 177.57 178.57 1pg0 h VAL 390 N -0.69 1.02 -0.72 2.57 2.07 -0.90 -1.49 116.25 118.12 1pg0 h VAL 390 Ca -0.02 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.34 1pg0 h VAL 390 Cb 0.14 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1pg0 h VAL 390 CO 0.03 0.12 0.48 -1.13 0.02 0.00 0.00 177.57 177.08 1pg0 h ASN 391 N 0.63 0.70 -0.54 0.57 -0.73 -1.48 -1.18 115.58 113.55 1pg0 h ASN 391 Ca 0.26 -0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.47 1pg0 h ASN 391 Cb 0.22 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.63 1pg0 h ASN 391 CO -0.08 0.46 0.36 0.25 -0.37 0.00 0.00 177.43 178.06 1pg0 h LEU 392 N 0.80 0.50 0.04 0.34 5.85 -1.30 -1.80 115.31 119.75 1pg0 h LEU 392 Ca 0.30 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.92 1pg0 h LEU 392 Cb 0.18 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1pg0 h LEU 392 CO -0.10 0.34 -0.50 0.00 -0.34 0.00 0.00 178.44 177.84 1pg0 h ALA 393 N 1.69 0.03 -0.48 1.25 0.00 -1.31 -3.35 119.26 117.10 1pg0 h ALA 393 Ca 0.22 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1pg0 h ALA 393 Cb 0.17 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1pg0 h ALA 393 CO -0.06 0.26 0.07 0.66 0.00 0.00 0.00 179.25 180.18 1pg0 h SER 394 N -0.78 0.71 0.88 0.00 4.64 -1.30 -0.40 113.55 117.30 1pg0 h SER 394 Ca -0.11 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1pg0 h SER 394 Cb 1.27 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1pg0 h SER 394 CO 0.01 0.74 0.00 -2.11 -0.87 0.00 0.00 176.83 174.60 1pg0 n ARG 395 N -4.26 0.19 -0.04 4.77 1.85 -0.69 -3.78 116.66 114.71 1pg0 n ARG 395 Ca 0.03 0.36 -0.04 0.00 -1.00 0.00 0.00 57.85 57.19 1pg0 n ARG 395 Cb 0.25 -1.83 -0.06 0.00 -1.05 0.00 0.00 32.46 29.77 1pg0 n ARG 395 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1pg0 n ASN 396 N -2.18 2.96 0.06 2.89 3.02 -1.03 -4.70 115.26 116.29 1pg0 n ASN 396 Ca 0.03 -0.01 0.06 0.00 -0.03 0.00 0.00 54.58 54.64 1pg0 n ASN 396 Cb 0.27 0.62 0.50 0.00 -0.61 0.00 0.00 39.78 40.56 1pg0 n ASN 396 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pg0 h ALA 397 N 0.37 1.84 0.74 5.41 0.00 -1.17 -3.07 119.26 123.38 1pg0 h ALA 397 Ca -0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1pg0 h ALA 397 Cb 1.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1pg0 h ALA 397 CO 0.01 0.13 -0.38 0.78 0.00 0.00 0.00 179.25 179.78 1pg0 h GLY 398 N 0.38 -1.09 0.83 0.00 0.00 -1.84 0.99 103.07 102.34 1pg0 h GLY 398 Ca 0.13 0.42 0.09 0.00 0.00 0.00 0.00 47.33 47.97 1pg0 h GLY 398 CO -0.03 -0.39 0.53 0.74 0.00 0.00 0.00 176.54 177.39 1pg0 h PHE 399 N -1.03 0.82 -0.10 5.60 0.05 -1.86 0.10 116.94 120.52 1pg0 h PHE 399 Ca -0.10 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.67 1pg0 h PHE 399 Cb 0.80 -0.26 -0.00 0.00 2.00 0.00 0.00 35.95 38.49 1pg0 h PHE 399 CO -0.05 0.39 -0.10 0.82 -0.18 0.00 0.00 178.31 179.19 1pg0 h ILE 400 N 0.77 1.36 -0.27 -0.55 1.08 -1.41 -0.67 117.51 117.81 1pg0 h ILE 400 Ca 0.37 -1.25 -0.12 0.00 -0.39 0.00 0.00 64.86 63.47 1pg0 h ILE 400 Cb 0.42 1.96 -0.00 0.00 -3.07 0.00 0.00 36.82 36.13 1pg0 h ILE 400 CO -0.14 0.36 -0.30 0.78 -0.69 0.00 0.00 178.15 178.15 1pg0 h ASN 401 N -0.16 0.74 0.01 1.72 2.35 -0.41 0.23 115.58 120.07 1pg0 h ASN 401 Ca 0.02 -0.48 -0.04 0.00 -0.55 0.00 0.00 56.30 55.25 1pg0 h ASN 401 Cb 0.62 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1pg0 h ASN 401 CO 0.02 1.07 -0.15 0.11 -1.65 0.00 0.00 177.43 176.84 1pg0 h LYS 402 N 0.42 0.08 0.00 0.81 1.79 -0.89 -3.13 116.57 115.65 1pg0 h LYS 402 Ca 0.04 -0.10 -0.12 0.00 -2.18 0.00 0.00 60.65 58.29 1pg0 h LYS 402 Cb 0.87 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.54 1pg0 h LYS 402 CO 0.07 0.93 -1.15 0.00 -1.08 0.00 0.00 179.45 178.22 1pg0 h ARG 403 N -0.72 0.00 0.00 3.15 2.47 -1.26 -3.40 114.38 114.62 1pg0 h ARG 403 Ca -0.02 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1pg0 h ARG 403 Cb 0.99 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.28 1pg0 h ARG 403 CO 0.03 0.26 -0.27 1.19 0.56 0.00 0.00 179.97 181.74 1pg0 n PHE 404 N -2.91 0.00 -3.36 3.04 3.01 -0.64 -5.00 117.46 111.61 1pg0 n PHE 404 Ca -0.06 -0.82 -0.24 0.00 1.01 0.00 0.00 57.45 57.35 1pg0 n PHE 404 Cb 0.76 -0.14 0.01 0.00 -0.01 0.00 0.00 39.48 40.10 1pg0 n PHE 404 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1pg0 n ASP 405 N -0.91 -4.55 0.00 4.37 8.00 -1.06 -1.62 116.55 120.77 1pg0 n ASP 405 Ca 0.12 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1pg0 n ASP 405 Cb 0.70 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 38.09 1pg0 n ASP 405 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pg0 n GLY 406 N -1.35 0.62 3.68 0.44 0.00 -0.02 -4.88 105.19 103.67 1pg0 n GLY 406 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1pg0 n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pg0 s VAL 407 N -2.75 5.09 0.60 1.61 1.01 -0.64 -0.34 120.40 124.99 1pg0 s VAL 407 Ca 0.00 1.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 1pg0 s VAL 407 Cb 0.00 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1pg0 s VAL 407 CO 0.00 0.20 1.02 -0.76 0.00 0.00 0.00 175.10 175.56 1pg0 s LEU 408 N 1.39 3.32 0.98 3.92 1.43 -0.24 -4.88 118.68 124.60 1pg0 s LEU 408 Ca 0.28 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 54.74 1pg0 s LEU 408 Cb -0.16 -4.48 0.13 0.00 0.03 0.00 0.00 46.19 41.71 1pg0 s LEU 408 CO 0.11 -0.85 0.82 0.00 0.23 0.00 0.00 176.35 176.65 1pg0 n ALA 409 N -2.49 -1.90 1.11 4.21 0.00 -1.26 -2.87 120.51 117.31 1pg0 n ALA 409 Ca 0.06 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 52.91 1pg0 n ALA 409 Cb 0.54 -2.00 0.23 0.00 0.00 0.00 0.00 19.45 18.22 1pg0 n ALA 409 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pg0 n SER 410 N -3.25 1.02 -4.06 0.00 3.41 -1.26 -1.27 113.62 108.21 1pg0 n SER 410 Ca 0.08 -0.81 -0.09 0.00 -0.26 0.00 0.00 58.87 57.79 1pg0 n SER 410 Cb 0.53 0.31 -0.11 0.00 -0.26 0.00 0.00 64.21 64.69 1pg0 n SER 410 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pg0 s GLU 411 N -2.69 0.53 0.06 4.33 8.01 -1.26 -4.73 118.70 122.94 1pg0 s GLU 411 Ca 0.18 -0.97 -0.30 0.00 0.01 0.00 0.00 54.97 53.88 1pg0 s GLU 411 Cb 0.18 0.06 -0.05 0.00 -4.31 0.00 0.00 34.13 30.01 1pg0 s GLU 411 CO 0.62 -0.06 1.11 -0.51 0.01 0.00 0.00 175.26 176.43 1pg0 s LEU 412 N -2.28 4.39 0.03 1.80 1.43 -1.26 -4.95 118.68 117.84 1pg0 s LEU 412 Ca -0.02 1.90 -0.23 0.00 -1.03 0.00 0.00 54.13 54.75 1pg0 s LEU 412 Cb -0.01 -3.58 -0.16 0.00 0.03 0.00 0.00 46.19 42.47 1pg0 s LEU 412 CO -0.05 -0.36 1.42 0.00 0.23 0.00 0.00 176.35 177.59 1pg0 h ALA 413 N 6.58 0.09 -3.07 4.21 0.00 -1.97 -3.37 119.26 121.72 1pg0 h ALA 413 Ca -0.42 -0.20 -0.62 0.00 0.00 0.00 0.00 54.91 53.68 1pg0 h ALA 413 Cb 1.22 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 18.57 1pg0 h ALA 413 CO 0.78 -0.21 -0.65 0.34 0.00 0.00 0.00 179.25 179.51 1pg0 s ASP 414 N -5.67 4.21 0.40 0.00 3.68 -1.26 -4.96 116.67 113.07 1pg0 s ASP 414 Ca -0.15 -3.43 0.11 0.00 2.13 0.00 0.00 52.55 51.22 1pg0 s ASP 414 Cb 0.04 -1.44 0.92 0.00 -1.45 0.00 0.00 42.92 40.99 1pg0 s ASP 414 CO 0.69 -0.15 1.94 -0.65 0.13 0.00 0.00 175.17 177.13 1pg0 h PRO 415 N 5.84 0.53 -0.15 4.34 0.11 -2.00 -2.52 132.00 138.15 1pg0 h PRO 415 Ca 0.09 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1pg0 h PRO 415 Cb 0.82 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 1pg0 h PRO 415 CO 0.65 0.35 0.05 1.96 -0.21 0.00 0.00 178.00 180.80 1pg0 h GLN 416 N 0.55 0.23 -0.49 1.05 4.20 -1.97 -1.65 115.11 117.04 1pg0 h GLN 416 Ca 0.34 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1pg0 h GLN 416 Cb 0.57 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1pg0 h GLN 416 CO -0.11 0.34 0.32 1.25 -0.67 0.00 0.00 178.83 179.96 1pg0 h LEU 417 N 0.07 0.56 -0.99 1.46 5.85 -1.90 -1.40 115.31 118.98 1pg0 h LEU 417 Ca 0.05 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1pg0 h LEU 417 Cb 0.20 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1pg0 h LEU 417 CO -0.00 0.41 0.63 0.22 -0.34 0.00 0.00 178.44 179.35 1pg0 h TYR 418 N 0.66 1.26 -0.30 1.25 3.20 -1.35 -1.89 116.97 119.80 1pg0 h TYR 418 Ca 0.18 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 1pg0 h TYR 418 Cb -0.07 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 37.76 1pg0 h TYR 418 CO -0.04 0.81 -0.16 -0.22 -1.64 0.00 0.00 178.16 176.92 1pg0 h LYS 419 N 1.35 0.53 -0.92 1.82 3.64 -0.78 -0.90 116.57 121.31 1pg0 h LYS 419 Ca 0.36 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1pg0 h LYS 419 Cb -0.11 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.61 1pg0 h LYS 419 CO -0.07 0.68 0.60 1.15 -2.27 0.00 0.00 179.45 179.54 1pg0 h THR 420 N 0.49 1.18 -0.08 1.00 2.02 -0.48 0.29 112.91 117.32 1pg0 h THR 420 Ca 0.08 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1pg0 h THR 420 Cb 0.55 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1pg0 h THR 420 CO 0.04 0.21 -0.08 -0.26 0.37 0.00 0.00 175.52 175.80 1pg0 h PHE 421 N 1.17 0.23 0.00 3.16 -1.00 -0.84 -3.00 116.94 116.67 1pg0 h PHE 421 Ca 0.36 -0.07 -0.07 0.00 2.81 0.00 0.00 57.97 61.00 1pg0 h PHE 421 Cb -0.02 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 1pg0 h PHE 421 CO -0.00 0.63 -0.32 1.79 -1.61 0.00 0.00 178.31 178.80 1pg0 h THR 422 N -0.23 0.71 0.00 -1.55 1.35 -0.97 -2.76 112.91 109.45 1pg0 h THR 422 Ca 0.01 -1.44 -0.05 0.00 -0.55 0.00 0.00 66.41 64.39 1pg0 h THR 422 Cb 0.59 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 1pg0 h THR 422 CO 0.02 0.31 -0.24 0.44 -0.25 0.00 0.00 175.52 175.80 1pg0 h ASP 423 N 0.00 0.00 0.93 5.36 3.45 -0.41 -2.62 116.42 123.13 1pg0 h ASP 423 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1pg0 h ASP 423 Cb 0.91 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.68 1pg0 h ASP 423 CO 0.04 0.24 0.00 0.00 -1.57 0.00 0.00 179.24 177.95 1pg0 n ALA 424 N -2.42 1.95 -0.33 3.45 0.00 -1.04 -3.80 120.51 118.32 1pg0 n ALA 424 Ca -0.02 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1pg0 n ALA 424 Cb 0.32 -1.39 0.32 0.00 0.00 0.00 0.00 19.45 18.70 1pg0 n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pg0 h ALA 425 N 2.52 1.71 0.14 0.00 0.00 -1.58 -1.48 119.26 120.56 1pg0 h ALA 425 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1pg0 h ALA 425 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pg0 h ALA 425 CO 0.00 -0.01 -0.07 1.49 0.00 0.00 0.00 179.25 180.66 1pg0 h GLU 426 N 0.79 -0.18 -0.37 0.00 4.81 -1.81 0.14 114.58 117.96 1pg0 h GLU 426 Ca 0.53 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.65 1pg0 h GLU 426 Cb 0.78 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1pg0 h GLU 426 CO -0.30 -0.03 -0.24 -0.24 -0.73 0.00 0.00 179.01 177.46 1pg0 h VAL 427 N -0.28 1.27 -0.21 0.32 3.04 -1.72 -1.35 116.25 117.33 1pg0 h VAL 427 Ca -0.02 -1.36 -0.09 0.00 -1.01 0.00 0.00 66.70 64.22 1pg0 h VAL 427 Cb 0.23 1.25 -0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1pg0 h VAL 427 CO 0.03 0.45 -0.23 0.40 -1.01 0.00 0.00 177.57 177.21 1pg0 h ILE 428 N 0.65 1.33 -0.71 3.17 2.04 -1.23 -1.62 117.51 121.15 1pg0 h ILE 428 Ca 0.09 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 1pg0 h ILE 428 Cb 0.75 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 1pg0 h ILE 428 CO 0.06 0.43 0.42 1.23 0.00 0.00 0.00 178.15 180.29 1pg0 h GLY 429 N 0.21 1.04 1.78 5.37 0.00 -0.66 -1.27 103.07 109.53 1pg0 h GLY 429 Ca 0.03 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1pg0 h GLY 429 CO 0.06 0.43 -0.08 -2.09 0.00 0.00 0.00 176.54 174.85 1pg0 h GLU 430 N 0.97 0.28 -0.34 4.80 4.57 -1.19 -0.04 114.58 123.63 1pg0 h GLU 430 Ca 0.25 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1pg0 h GLU 430 Cb -0.01 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1pg0 h GLU 430 CO -0.05 0.38 -0.08 0.00 -1.18 0.00 0.00 179.01 178.08 1pg0 h ALA 431 N 1.65 0.46 -0.18 2.92 0.00 -0.31 -0.09 119.26 123.71 1pg0 h ALA 431 Ca 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1pg0 h ALA 431 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1pg0 h ALA 431 CO 0.02 0.30 0.08 -1.49 0.00 0.00 0.00 179.25 178.16 1pg0 h TRP 432 N 0.43 0.27 -0.55 0.00 -0.00 -0.81 0.22 115.95 115.52 1pg0 h TRP 432 Ca 0.09 -0.02 0.07 0.00 -0.00 0.00 0.00 58.89 59.03 1pg0 h TRP 432 Cb 0.58 -0.08 -0.06 0.00 -0.00 0.00 0.00 29.16 29.60 1pg0 h TRP 432 CO 0.05 0.31 0.22 1.49 -0.00 0.00 0.00 178.44 180.51 1pg0 h GLU 433 N 0.15 0.40 -0.05 0.49 4.57 -0.89 -1.40 114.58 117.85 1pg0 h GLU 433 Ca 0.06 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1pg0 h GLU 433 Cb 0.15 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1pg0 h GLU 433 CO -0.01 0.26 0.00 -1.13 -1.18 0.00 0.00 179.01 176.96 1pg0 n SER 434 N -4.97 0.53 -0.52 1.04 3.41 -0.06 -4.90 113.62 108.16 1pg0 n SER 434 Ca 0.06 -1.51 -0.07 0.00 -0.26 0.00 0.00 58.87 57.10 1pg0 n SER 434 Cb 0.21 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1pg0 n SER 434 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pg0 n ARG 435 N -0.44 -0.80 -2.15 4.33 1.74 -0.53 -4.61 116.66 114.20 1pg0 n ARG 435 Ca 0.15 0.65 -0.41 0.00 -0.77 0.00 0.00 57.85 57.46 1pg0 n ARG 435 Cb 0.15 -4.52 -0.00 0.00 -1.02 0.00 0.00 32.46 27.07 1pg0 n ARG 435 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pg0 n GLU 436 N -2.14 4.03 -0.24 5.56 -0.58 0.02 -2.94 120.64 124.34 1pg0 n GLU 436 Ca -0.07 -3.45 -0.01 0.00 -0.42 0.00 0.00 57.16 53.21 1pg0 n GLU 436 Cb 0.31 -2.80 0.10 0.00 -0.57 0.00 0.00 31.44 28.48 1pg0 n GLU 436 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1pg0 h PHE 437 N 5.24 0.74 -0.57 -0.32 0.05 -1.71 -1.88 116.94 118.48 1pg0 h PHE 437 Ca 0.54 0.03 0.01 0.00 3.82 0.00 0.00 57.97 62.37 1pg0 h PHE 437 Cb 0.48 -0.23 -0.03 0.00 2.00 0.00 0.00 35.95 38.17 1pg0 h PHE 437 CO 1.42 0.36 0.38 0.78 -0.18 0.00 0.00 178.31 181.07 1pg0 h GLY 438 N 0.74 0.79 0.85 -1.45 0.00 -0.63 -0.07 103.07 103.30 1pg0 h GLY 438 Ca 0.31 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1pg0 h GLY 438 CO -0.18 0.28 -0.08 1.70 0.00 0.00 0.00 176.54 178.27 1pg0 h LYS 439 N 0.75 0.50 -0.22 4.80 3.64 -1.65 -1.48 116.57 122.91 1pg0 h LYS 439 Ca 0.21 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1pg0 h LYS 439 Cb -0.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1pg0 h LYS 439 CO -0.05 0.73 0.10 0.00 -2.27 0.00 0.00 179.45 177.96 1pg0 h ALA 440 N 0.75 0.26 -0.44 5.00 0.00 -0.59 -1.67 119.26 122.57 1pg0 h ALA 440 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1pg0 h ALA 440 Cb 0.56 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1pg0 h ALA 440 CO 0.03 -0.31 0.24 0.28 0.00 0.00 0.00 179.25 179.49 1pg0 h VAL 441 N 0.22 1.16 -0.89 0.00 2.07 -0.96 -0.66 116.25 117.18 1pg0 h VAL 441 Ca 0.09 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1pg0 h VAL 441 Cb 0.03 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1pg0 h VAL 441 CO -0.07 0.16 0.57 0.03 0.02 0.00 0.00 177.57 178.28 1pg0 h ARG 442 N 0.57 1.07 -0.34 1.57 3.08 -1.08 0.15 114.38 119.41 1pg0 h ARG 442 Ca 0.15 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1pg0 h ARG 442 Cb 0.05 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1pg0 h ARG 442 CO -0.03 0.71 0.16 1.49 -1.07 0.00 0.00 179.97 181.23 1pg0 h GLU 443 N 1.11 0.49 -0.51 0.04 4.57 -0.91 -0.29 114.58 119.08 1pg0 h GLU 443 Ca 0.36 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.42 1pg0 h GLU 443 Cb 0.02 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1pg0 h GLU 443 CO -0.12 0.45 0.16 0.82 -1.18 0.00 0.00 179.01 179.13 1pg0 h ILE 444 N 0.41 1.23 0.00 2.32 2.04 -0.42 -1.94 117.51 121.15 1pg0 h ILE 444 Ca 0.12 -0.78 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 1pg0 h ILE 444 Cb 0.12 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1pg0 h ILE 444 CO -0.01 0.29 -0.41 0.24 0.00 0.00 0.00 178.15 178.25 1pg0 h MET 445 N 0.69 0.00 -0.39 2.37 2.86 -0.59 -0.91 114.93 118.96 1pg0 h MET 445 Ca 0.16 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.66 1pg0 h MET 445 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1pg0 h MET 445 CO -0.00 0.41 -0.33 0.00 1.06 0.00 0.00 176.91 178.05 1pg0 h ALA 446 N 1.59 0.68 -0.53 6.32 0.00 -0.72 -1.22 119.26 125.39 1pg0 h ALA 446 Ca -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1pg0 h ALA 446 Cb 0.80 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1pg0 h ALA 446 CO 0.05 0.67 -0.08 -0.07 0.00 0.00 0.00 179.25 179.82 1pg0 h LEU 447 N 0.73 0.95 -0.96 0.00 3.38 -0.90 -2.42 115.31 116.09 1pg0 h LEU 447 Ca 0.07 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1pg0 h LEU 447 Cb 0.90 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1pg0 h LEU 447 CO 0.08 1.05 0.46 0.00 0.09 0.00 0.00 178.44 180.12 1pg0 h ALA 448 N 1.03 1.20 -0.60 1.53 0.00 -0.88 -0.69 119.26 120.85 1pg0 h ALA 448 Ca 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pg0 h ALA 448 Cb 0.62 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1pg0 h ALA 448 CO 0.04 0.64 0.37 -0.44 0.00 0.00 0.00 179.25 179.86 1pg0 h ASP 449 N 1.20 0.72 -0.59 0.00 3.32 -0.88 -0.51 116.42 119.68 1pg0 h ASP 449 Ca 0.30 -0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.34 1pg0 h ASP 449 Cb 0.04 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 1pg0 h ASP 449 CO -0.05 0.56 0.33 -0.07 -1.72 0.00 0.00 179.24 178.29 1pg0 h LEU 450 N 0.82 0.49 -0.66 1.55 3.38 -0.86 0.31 115.31 120.34 1pg0 h LEU 450 Ca 0.22 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1pg0 h LEU 450 Cb -0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1pg0 h LEU 450 CO -0.04 0.33 0.23 0.00 0.09 0.00 0.00 178.44 179.05 1pg0 h ALA 451 N 1.29 0.86 0.00 1.53 0.00 -0.50 -0.08 119.26 122.37 1pg0 h ALA 451 Ca 0.25 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1pg0 h ALA 451 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1pg0 h ALA 451 CO -0.15 0.52 -0.35 -0.91 0.00 0.00 0.00 179.25 178.36 1pg0 h ASN 452 N 0.95 0.00 -0.11 0.00 2.35 -0.70 -1.78 115.58 116.29 1pg0 h ASN 452 Ca 0.22 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.82 1pg0 h ASN 452 Cb 0.26 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.64 1pg0 h ASN 452 CO -0.01 0.35 -0.49 -0.09 -1.65 0.00 0.00 177.43 175.53 1pg0 h ARG 453 N 0.00 0.53 -0.23 0.81 2.43 -0.48 -2.17 114.38 115.28 1pg0 h ARG 453 Ca -0.00 -0.42 0.04 0.00 -0.81 0.00 0.00 59.98 58.78 1pg0 h ARG 453 Cb 0.87 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.46 1pg0 h ARG 453 CO 0.05 1.05 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.61 1pg0 h TYR 454 N 0.14 -0.06 -0.72 2.20 3.20 -0.81 0.45 116.97 121.37 1pg0 h TYR 454 Ca -0.03 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1pg0 h TYR 454 Cb 1.13 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.42 1pg0 h TYR 454 CO 0.11 -0.06 0.47 0.28 -1.64 0.00 0.00 178.16 177.32 1pg0 h VAL 455 N 0.04 1.13 -0.11 1.81 2.07 -1.31 -1.25 116.25 118.63 1pg0 h VAL 455 Ca 0.11 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1pg0 h VAL 455 Cb 0.15 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1pg0 h VAL 455 CO -0.20 0.16 -0.15 0.44 0.02 0.00 0.00 177.57 177.84 1pg0 h ASP 456 N 0.90 0.33 -0.41 0.57 3.32 -0.67 0.77 116.42 121.23 1pg0 h ASP 456 Ca 0.28 -0.52 0.06 0.00 0.02 0.00 0.00 57.03 56.87 1pg0 h ASP 456 Cb 0.01 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 1pg0 h ASP 456 CO -0.08 0.78 0.12 -0.33 -1.72 0.00 0.00 179.24 178.01 1pg0 h GLU 457 N -0.12 0.25 0.00 3.56 5.08 -0.61 -1.49 114.58 121.25 1pg0 h GLU 457 Ca 0.01 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1pg0 h GLU 457 Cb 0.70 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1pg0 h GLU 457 CO 0.04 0.17 -0.43 1.96 -1.00 0.00 0.00 179.01 179.74 1pg0 h GLN 458 N 0.26 0.00 -6.29 2.33 1.08 -1.23 -3.48 115.11 107.77 1pg0 h GLN 458 Ca 0.19 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.27 1pg0 h GLN 458 Cb 0.21 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1pg0 h GLN 458 CO -0.22 0.43 -1.05 0.00 -0.95 0.00 0.00 178.83 177.04 1pg0 n ALA 459 N -2.40 -2.25 0.10 3.87 0.00 0.26 -4.77 120.51 115.32 1pg0 n ALA 459 Ca -0.01 0.20 -0.04 0.00 0.00 0.00 0.00 53.44 53.58 1pg0 n ALA 459 Cb 0.49 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.74 1pg0 n ALA 459 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pg0 h PRO 460 N 3.02 0.01 0.00 0.00 0.13 -1.89 -3.00 132.00 130.27 1pg0 h PRO 460 Ca -0.18 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1pg0 h PRO 460 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1pg0 h PRO 460 CO 0.09 0.81 -0.00 0.11 -0.23 0.00 0.00 178.00 178.77 1pg0 h TRP 461 N 0.01 0.00 0.02 1.56 0.09 -1.93 0.08 115.95 115.77 1pg0 h TRP 461 Ca -0.01 0.00 -0.38 0.00 0.09 0.00 0.00 58.89 58.59 1pg0 h TRP 461 Cb 1.42 0.00 -0.06 0.00 0.08 0.00 0.00 29.16 30.59 1pg0 h TRP 461 CO 0.00 0.00 -2.36 1.55 0.09 0.00 0.00 178.44 177.72 1pg0 n VAL 462 N -3.14 1.52 0.24 0.12 3.14 -1.21 -4.14 118.33 114.85 1pg0 n VAL 462 Ca -0.02 -0.65 0.09 0.00 -2.96 0.00 0.00 64.34 60.80 1pg0 n VAL 462 Cb 0.12 -1.26 0.59 0.00 -1.06 0.00 0.00 33.84 32.23 1pg0 n VAL 462 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1pg0 h VAL 463 N 0.01 0.81 -0.24 1.55 2.07 -1.31 -3.00 116.25 116.14 1pg0 h VAL 463 Ca -0.54 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 1pg0 h VAL 463 Cb 1.99 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 33.19 1pg0 h VAL 463 CO -0.03 0.18 -0.07 0.00 0.02 0.00 0.00 177.57 177.67 1pg0 h ALA 464 N 1.81 0.34 0.00 1.67 0.00 -1.16 -3.06 119.26 118.86 1pg0 h ALA 464 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1pg0 h ALA 464 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pg0 h ALA 464 CO 0.02 0.15 0.00 0.36 0.00 0.00 0.00 179.25 179.79 1pg0 n LYS 465 N -4.54 0.91 -3.49 0.00 2.85 -1.13 -4.54 118.16 108.21 1pg0 n LYS 465 Ca -0.04 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.80 1pg0 n LYS 465 Cb 0.31 -1.16 -0.07 0.00 -0.65 0.00 0.00 35.03 33.46 1pg0 n LYS 465 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1pg0 s GLN 466 N -2.00 2.85 0.13 -1.58 -0.21 -1.16 -5.05 119.66 112.64 1pg0 s GLN 466 Ca 0.14 -2.08 -0.34 0.00 0.02 0.00 0.00 55.36 53.11 1pg0 s GLN 466 Cb 0.07 -4.07 -0.17 0.00 1.00 0.00 0.00 33.01 29.83 1pg0 s GLN 466 CO 0.11 -1.24 1.02 -0.85 -2.12 0.00 0.00 175.29 172.22 1pg0 n GLU 467 N 4.46 0.64 -0.30 2.91 -0.00 -1.26 -2.06 120.64 125.03 1pg0 n GLU 467 Ca -0.00 0.23 0.00 0.00 -0.00 0.00 0.00 57.16 57.38 1pg0 n GLU 467 Cb 0.42 -1.64 0.00 0.00 -0.00 0.00 0.00 31.44 30.22 1pg0 n GLU 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pg0 n GLY 468 N 1.89 0.72 1.00 -1.84 0.00 -1.26 -4.95 105.19 100.76 1pg0 n GLY 468 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1pg0 n GLY 468 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pg0 n ARG 469 N -2.10 3.18 -0.02 1.61 5.12 -0.88 -4.74 116.66 118.83 1pg0 n ARG 469 Ca 0.00 -2.63 -0.10 0.00 -1.93 0.00 0.00 57.85 53.19 1pg0 n ARG 469 Cb 0.00 -1.70 -0.04 0.00 -1.16 0.00 0.00 32.46 29.56 1pg0 n ARG 469 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1pg0 h ASP 470 N 2.43 -1.03 -0.86 0.55 5.19 -1.87 0.66 116.42 121.49 1pg0 h ASP 470 Ca 0.00 0.16 0.12 0.00 -0.62 0.00 0.00 57.03 56.68 1pg0 h ASP 470 Cb 1.26 0.45 -0.08 0.00 0.18 0.00 0.00 39.33 41.14 1pg0 h ASP 470 CO 0.17 -0.35 0.48 0.00 -3.12 0.00 0.00 179.24 176.43 1pg0 h ALA 471 N 0.48 1.27 -0.58 3.45 0.00 -2.00 -0.37 119.26 121.50 1pg0 h ALA 471 Ca 0.11 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1pg0 h ALA 471 Cb 0.55 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1pg0 h ALA 471 CO -0.39 0.05 0.16 -0.44 0.00 0.00 0.00 179.25 178.62 1pg0 h ASP 472 N 0.76 0.87 0.33 0.00 3.32 -1.62 -1.87 116.42 118.21 1pg0 h ASP 472 Ca 0.44 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1pg0 h ASP 472 Cb 0.49 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1pg0 h ASP 472 CO -0.29 0.86 -0.16 0.25 -1.72 0.00 0.00 179.24 178.19 1pg0 h LEU 473 N 0.83 -0.37 -0.73 1.55 5.85 0.25 -1.21 115.31 121.48 1pg0 h LEU 473 Ca 0.19 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1pg0 h LEU 473 Cb 0.32 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 1pg0 h LEU 473 CO -0.00 -0.17 0.34 -0.61 -0.34 0.00 0.00 178.44 177.66 1pg0 h GLN 474 N -0.56 0.54 -0.73 1.25 4.15 -1.08 0.33 115.11 119.01 1pg0 h GLN 474 Ca -0.05 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1pg0 h GLN 474 Cb 0.41 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 1pg0 h GLN 474 CO 0.07 0.36 0.37 0.00 -1.93 0.00 0.00 178.83 177.71 1pg0 h ALA 475 N 1.47 0.94 0.28 3.38 0.00 -1.18 -0.63 119.26 123.51 1pg0 h ALA 475 Ca 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1pg0 h ALA 475 Cb 0.46 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pg0 h ALA 475 CO -0.31 0.48 -0.13 0.82 0.00 0.00 0.00 179.25 180.10 1pg0 h ILE 476 N 1.02 0.73 -0.10 0.00 2.04 -0.10 -2.48 117.51 118.62 1pg0 h ILE 476 Ca 0.25 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 1pg0 h ILE 476 Cb 0.08 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1pg0 h ILE 476 CO -0.04 0.13 -0.12 0.00 0.00 0.00 0.00 178.15 178.12 1pg0 h SER 478 N 0.14 0.55 -0.35 0.00 0.02 -1.16 -2.26 113.55 110.49 1pg0 h SER 478 Ca 0.03 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1pg0 h SER 478 Cb 0.31 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1pg0 h SER 478 CO 0.02 1.06 0.22 -0.03 -1.14 0.00 0.00 176.83 176.96 1pg0 h MET 479 N 0.34 0.44 -0.50 3.45 -1.53 -0.90 -0.65 114.93 115.58 1pg0 h MET 479 Ca -0.02 -0.03 -0.04 0.00 -3.44 0.00 0.00 59.70 56.18 1pg0 h MET 479 Cb 1.22 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 32.14 1pg0 h MET 479 CO 0.12 0.29 0.16 0.78 0.14 0.00 0.00 176.91 178.40 1pg0 h GLY 480 N 0.45 0.78 1.26 1.39 0.00 -1.25 -1.86 103.07 103.85 1pg0 h GLY 480 Ca 0.14 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 1pg0 h GLY 480 CO -0.05 0.39 -0.30 -2.22 0.00 0.00 0.00 176.54 174.35 1pg0 h ILE 481 N 0.72 1.28 -0.16 2.60 2.04 -0.78 -1.98 117.51 121.22 1pg0 h ILE 481 Ca 0.17 -1.46 -0.11 0.00 1.00 0.00 0.00 64.86 64.46 1pg0 h ILE 481 Cb 0.20 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1pg0 h ILE 481 CO -0.01 0.49 -0.38 0.78 0.00 0.00 0.00 178.15 179.02 1pg0 h ASN 482 N 0.70 0.37 -0.31 1.72 2.35 -0.79 -0.61 115.58 119.01 1pg0 h ASN 482 Ca 0.08 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 1pg0 h ASN 482 Cb 0.85 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 1pg0 h ASN 482 CO 0.07 0.73 -0.19 -0.07 -1.65 0.00 0.00 177.43 176.33 1pg0 h LEU 483 N 0.30 0.79 -0.67 1.61 3.38 -1.18 -2.43 115.31 117.11 1pg0 h LEU 483 Ca 0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1pg0 h LEU 483 Cb 0.82 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1pg0 h LEU 483 CO 0.07 0.96 0.26 0.15 0.09 0.00 0.00 178.44 179.97 1pg0 h PHE 484 N 0.69 1.03 -0.41 1.13 3.57 -0.94 -1.72 116.94 120.30 1pg0 h PHE 484 Ca 0.10 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1pg0 h PHE 484 Cb 0.69 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1pg0 h PHE 484 CO 0.04 0.81 0.12 -0.09 -2.23 0.00 0.00 178.31 176.96 1pg0 h ARG 485 N 0.96 0.26 -0.19 1.11 1.12 -0.70 -0.50 114.38 116.43 1pg0 h ARG 485 Ca 0.22 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.06 1pg0 h ARG 485 Cb 0.23 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 1pg0 h ARG 485 CO -0.02 0.17 0.07 0.28 -3.11 0.00 0.00 179.97 177.36 1pg0 h VAL 486 N 0.27 1.18 -0.63 0.20 2.07 -1.20 -2.41 116.25 115.73 1pg0 h VAL 486 Ca 0.19 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1pg0 h VAL 486 Cb 0.20 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1pg0 h VAL 486 CO -0.22 0.17 0.36 -0.07 0.02 0.00 0.00 177.57 177.84 1pg0 h LEU 487 N 0.14 0.56 -1.56 2.57 3.38 -0.89 -1.39 115.31 118.12 1pg0 h LEU 487 Ca 0.06 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1pg0 h LEU 487 Cb 0.21 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1pg0 h LEU 487 CO -0.00 0.38 -0.18 0.24 0.09 0.00 0.00 178.44 178.96 1pg0 h MET 488 N 0.69 0.00 -0.29 1.13 2.86 -1.04 -1.73 114.93 116.55 1pg0 h MET 488 Ca 0.27 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.77 1pg0 h MET 488 Cb 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1pg0 h MET 488 CO -0.14 0.18 -0.35 1.15 1.06 0.00 0.00 176.91 178.81 1pg0 h THR 489 N 0.00 1.30 0.00 2.22 2.02 -0.75 0.16 112.91 117.86 1pg0 h THR 489 Ca -0.00 -1.53 -0.08 0.00 0.77 0.00 0.00 66.41 65.57 1pg0 h THR 489 Cb 0.52 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1pg0 h THR 489 CO 0.02 0.49 -0.40 1.88 0.37 0.00 0.00 175.52 177.88 1pg0 h TYR 490 N 0.50 0.00 -0.01 3.16 0.05 -0.96 -2.95 116.97 116.76 1pg0 h TYR 490 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1pg0 h TYR 490 Cb 0.93 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1pg0 h TYR 490 CO 0.07 0.40 -0.27 1.28 -1.05 0.00 0.00 178.16 178.60 1pg0 n LEU 491 N -3.72 1.62 -0.30 3.88 4.77 -0.69 -4.43 117.00 118.12 1pg0 n LEU 491 Ca -0.01 -0.53 0.13 0.00 -0.03 0.00 0.00 56.01 55.57 1pg0 n LEU 491 Cb 0.48 -0.05 0.37 0.00 -2.33 0.00 0.00 43.42 41.89 1pg0 n LEU 491 CO 0.38 0.29 1.22 0.50 -1.33 0.00 0.00 177.39 178.44 1pg0 h LYS 492 N 2.11 0.68 0.00 3.23 3.64 -0.78 0.83 116.57 126.28 1pg0 h LYS 492 Ca 0.00 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1pg0 h LYS 492 Cb 0.64 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1pg0 h LYS 492 CO 0.00 0.45 -0.26 -1.35 -2.27 0.00 0.00 179.45 176.02 1pg0 h PRO 493 N 0.70 0.00 0.14 1.90 0.11 -1.80 -3.31 132.00 129.73 1pg0 h PRO 493 Ca 0.50 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.29 1pg0 h PRO 493 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1pg0 h PRO 493 CO -0.26 0.26 -1.64 0.28 -0.21 0.00 0.00 178.00 176.42 1pg0 h VAL 494 N 0.00 0.91 -3.05 3.15 2.07 -1.19 -3.39 116.25 114.75 1pg0 h VAL 494 Ca -0.00 -2.41 -0.62 0.00 0.82 0.00 0.00 66.70 64.49 1pg0 h VAL 494 Cb 0.58 2.66 -0.42 0.00 -1.52 0.00 0.00 31.29 32.60 1pg0 h VAL 494 CO 0.03 0.78 -0.59 -0.76 0.02 0.00 0.00 177.57 177.05 1pg0 s LEU 495 N -7.38 4.68 0.17 2.57 1.43 -0.55 -4.54 118.68 115.07 1pg0 s LEU 495 Ca -0.20 -3.83 -0.15 0.00 -1.03 0.00 0.00 54.13 48.93 1pg0 s LEU 495 Cb 0.05 -1.59 0.11 0.00 0.03 0.00 0.00 46.19 44.80 1pg0 s LEU 495 CO 0.79 -0.09 1.72 -0.65 0.23 0.00 0.00 176.35 178.35 1pg0 h PRO 496 N 5.40 0.18 -0.08 1.29 0.11 -1.85 -0.68 132.00 136.39 1pg0 h PRO 496 Ca 0.15 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 1pg0 h PRO 496 Cb 0.76 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1pg0 h PRO 496 CO 0.70 0.12 -0.18 0.87 -0.21 0.00 0.00 178.00 179.30 1pg0 h LYS 497 N 0.19 0.26 -0.71 1.05 1.79 -1.94 -2.09 116.57 115.12 1pg0 h LYS 497 Ca 0.20 -0.18 0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1pg0 h LYS 497 Cb 0.25 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.89 1pg0 h LYS 497 CO -0.27 0.78 0.47 1.25 -1.08 0.00 0.00 179.45 180.60 1pg0 h LEU 498 N -0.22 0.75 -0.73 2.94 5.85 -1.91 -1.27 115.31 120.72 1pg0 h LEU 498 Ca -0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1pg0 h LEU 498 Cb 0.79 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1pg0 h LEU 498 CO 0.04 0.52 0.35 0.74 -0.34 0.00 0.00 178.44 179.76 1pg0 h THR 499 N 0.88 1.24 -0.65 1.05 2.02 -1.00 0.74 112.91 117.19 1pg0 h THR 499 Ca 0.28 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1pg0 h THR 499 Cb 0.03 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1pg0 h THR 499 CO -0.08 0.28 0.29 -0.33 0.37 0.00 0.00 175.52 176.06 1pg0 h GLU 500 N 1.03 0.95 -0.64 6.66 5.08 -0.56 0.11 114.58 127.20 1pg0 h GLU 500 Ca 0.25 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1pg0 h GLU 500 Cb 0.12 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1pg0 h GLU 500 CO -0.03 0.77 0.14 0.00 -1.00 0.00 0.00 179.01 178.89 1pg0 h ARG 501 N 0.90 1.01 -0.53 2.33 3.08 -0.77 -1.47 114.38 118.93 1pg0 h ARG 501 Ca 0.22 -0.23 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1pg0 h ARG 501 Cb 0.15 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1pg0 h ARG 501 CO -0.02 0.90 -0.11 0.00 -1.07 0.00 0.00 179.97 179.66 1pg0 h ALA 502 N 1.19 0.79 -0.14 0.04 0.00 -0.34 -2.34 119.26 118.46 1pg0 h ALA 502 Ca 0.20 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1pg0 h ALA 502 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1pg0 h ALA 502 CO 0.00 0.67 -0.28 0.93 0.00 0.00 0.00 179.25 180.57 1pg0 h GLU 503 N 0.89 0.27 -0.32 0.00 5.08 -0.44 0.19 114.58 120.25 1pg0 h GLU 503 Ca 0.14 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 1pg0 h GLU 503 Cb 0.67 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1pg0 h GLU 503 CO 0.05 0.53 -0.39 0.00 -1.00 0.00 0.00 179.01 178.19 1pg0 h ALA 504 N 1.48 0.70 -0.30 3.43 0.00 -1.09 -0.20 119.26 123.29 1pg0 h ALA 504 Ca 0.04 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1pg0 h ALA 504 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1pg0 h ALA 504 CO 0.04 0.66 -0.16 0.35 0.00 0.00 0.00 179.25 180.15 1pg0 h PHE 505 N 0.63 0.74 -0.00 0.00 3.57 -0.99 -3.14 116.94 117.76 1pg0 h PHE 505 Ca 0.05 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1pg0 h PHE 505 Cb 0.95 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1pg0 h PHE 505 CO 0.05 0.88 -0.01 1.28 -2.23 0.00 0.00 178.31 178.28 1pg0 n LEU 506 N -4.38 0.01 -3.57 0.59 4.77 0.01 -0.59 117.00 113.84 1pg0 n LEU 506 Ca -0.03 0.46 -0.26 0.00 -0.03 0.00 0.00 56.01 56.16 1pg0 n LEU 506 Cb 0.39 -0.47 0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1pg0 n LEU 506 CO 0.42 0.00 0.13 0.59 -1.33 0.00 0.00 177.39 177.21 1pg0 n ASN 507 N -1.47 -5.65 -3.68 -1.43 5.03 -0.12 -4.77 115.26 103.17 1pg0 n ASN 507 Ca 0.08 -0.56 -0.14 0.00 0.87 0.00 0.00 54.58 54.83 1pg0 n ASN 507 Cb 0.33 -4.50 -0.08 0.00 -1.02 0.00 0.00 39.78 34.50 1pg0 n ASN 507 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1pg0 s THR 508 N -3.26 0.01 0.12 3.41 2.01 -0.97 -5.07 115.64 111.90 1pg0 s THR 508 Ca 0.55 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.24 1pg0 s THR 508 Cb -0.26 -0.75 -0.07 0.00 0.01 0.00 0.00 72.50 71.43 1pg0 s THR 508 CO 0.68 -0.05 0.66 -0.70 -0.69 0.00 0.00 174.62 174.51 1pg0 s GLU 509 N -0.27 4.34 -0.30 4.92 2.12 -1.26 -4.46 118.70 123.79 1pg0 s GLU 509 Ca -0.04 0.90 -0.19 0.00 0.36 0.00 0.00 54.97 55.99 1pg0 s GLU 509 Cb -0.03 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 1pg0 s GLU 509 CO 0.03 0.59 0.56 -0.51 -0.54 0.00 0.00 175.26 175.39 1pg0 s LEU 510 N -1.21 4.15 0.20 2.70 1.43 -1.26 -5.05 118.68 119.65 1pg0 s LEU 510 Ca 0.33 0.36 0.10 0.00 -1.03 0.00 0.00 54.13 53.89 1pg0 s LEU 510 Cb -0.21 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 1pg0 s LEU 510 CO 0.22 -0.41 -0.13 0.42 0.23 0.00 0.00 176.35 176.68 1pg0 s THR 511 N 2.45 2.96 0.23 5.49 -4.23 -1.26 -5.03 115.64 116.24 1pg0 s THR 511 Ca 0.22 -1.85 -0.07 0.00 -1.18 0.00 0.00 61.69 58.82 1pg0 s THR 511 Cb -0.15 -2.48 0.17 0.00 1.34 0.00 0.00 72.50 71.38 1pg0 s THR 511 CO 0.11 -0.17 1.80 -0.25 -0.54 0.00 0.00 174.62 175.57 1pg0 h TRP 512 N 2.79 1.17 0.00 3.99 2.91 -1.92 -2.83 115.95 122.06 1pg0 h TRP 512 Ca -0.46 -0.08 -0.09 0.00 1.13 0.00 0.00 58.89 59.39 1pg0 h TRP 512 Cb 1.22 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 29.50 1pg0 h TRP 512 CO 0.68 0.88 -0.50 -0.44 -1.03 0.00 0.00 178.44 178.03 1pg0 h ASP 513 N 1.13 0.00 -0.20 2.65 3.32 -1.96 -3.33 116.42 118.02 1pg0 h ASP 513 Ca 0.26 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.37 1pg0 h ASP 513 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1pg0 h ASP 513 CO -0.02 0.43 0.21 1.23 -1.72 0.00 0.00 179.24 179.37 1pg0 h GLY 514 N 3.59 0.00 2.00 2.75 0.00 -1.89 -1.78 103.07 107.74 1pg0 h GLY 514 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1pg0 h GLY 514 CO 0.05 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.88 1pg0 n ILE 515 N -3.85 0.96 0.41 2.60 -5.35 -1.25 -1.48 119.36 111.39 1pg0 n ILE 515 Ca 0.02 0.51 0.13 0.00 -0.27 0.00 0.00 62.75 63.14 1pg0 n ILE 515 Cb 0.34 -1.49 0.50 0.00 -1.74 0.00 0.00 39.64 37.25 1pg0 n ILE 515 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1pg0 h GLN 516 N 0.00 0.00 -3.90 6.28 1.08 -1.61 -3.37 115.11 113.59 1pg0 h GLN 516 Ca 0.00 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.55 1pg0 h GLN 516 Cb 0.16 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.18 1pg0 h GLN 516 CO 0.00 0.00 -0.67 -0.65 -0.95 0.00 0.00 178.83 176.56 1pg0 s GLN 517 N -3.33 1.76 0.83 1.46 1.11 -0.55 -5.11 119.66 115.83 1pg0 s GLN 517 Ca 0.05 -2.31 -0.11 0.00 0.01 0.00 0.00 55.36 53.00 1pg0 s GLN 517 Cb 0.10 -3.25 0.10 0.00 -1.01 0.00 0.00 33.01 28.94 1pg0 s GLN 517 CO 0.46 -1.04 1.15 -1.25 0.01 0.00 0.00 175.29 174.62 1pg0 s PRO 518 N 0.21 1.59 -0.35 2.91 0.04 -1.26 -4.93 135.00 133.21 1pg0 s PRO 518 Ca 0.15 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 1pg0 s PRO 518 Cb -0.23 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1pg0 s PRO 518 CO -0.03 -2.20 1.20 -0.51 0.04 0.00 0.00 177.00 175.50 1pg0 s LEU 519 N -6.06 3.82 -0.02 -3.56 1.43 -1.26 -5.01 118.68 108.02 1pg0 s LEU 519 Ca 0.67 0.98 0.05 0.00 -1.03 0.00 0.00 54.13 54.80 1pg0 s LEU 519 Cb -0.23 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 1pg0 s LEU 519 CO 0.54 -1.08 -0.18 -0.76 0.23 0.00 0.00 176.35 175.10 1pg0 s LEU 520 N 4.24 2.00 -1.57 1.79 1.43 -1.26 -4.69 118.68 120.61 1pg0 s LEU 520 Ca 0.51 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 53.14 1pg0 s LEU 520 Cb -0.13 -0.97 0.10 0.00 0.03 0.00 0.00 46.19 45.22 1pg0 s LEU 520 CO 0.23 0.21 0.78 0.61 0.23 0.00 0.00 176.35 178.40 1pg0 n GLY 521 N 2.79 -0.41 3.33 -3.19 0.00 -0.39 -4.93 105.19 102.39 1pg0 n GLY 521 Ca -0.16 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1pg0 n GLY 521 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pg0 s HIS 522 N -3.44 2.59 -0.20 1.61 5.04 -1.25 -4.88 115.29 114.76 1pg0 s HIS 522 Ca 0.54 -0.61 -0.24 0.00 -1.54 0.00 0.00 55.06 53.21 1pg0 s HIS 522 Cb -0.28 -1.67 -0.02 0.00 0.04 0.00 0.00 32.58 30.65 1pg0 s HIS 522 CO 0.88 -0.14 0.77 0.21 -2.34 0.00 0.00 174.74 174.12 1pg0 s LYS 523 N -0.14 4.24 0.26 2.88 2.47 -1.26 -1.08 119.74 127.11 1pg0 s LYS 523 Ca -0.03 0.87 0.06 0.00 -1.56 0.00 0.00 55.97 55.31 1pg0 s LYS 523 Cb -0.14 -3.59 -0.03 0.00 -1.46 0.00 0.00 37.83 32.61 1pg0 s LYS 523 CO 0.04 -0.35 0.29 0.14 0.16 0.00 0.00 175.35 175.63 1pg0 s VAL 524 N 2.25 4.73 0.11 4.02 -7.23 0.54 -4.66 120.40 120.16 1pg0 s VAL 524 Ca 0.34 -1.20 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1pg0 s VAL 524 Cb -0.16 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 1pg0 s VAL 524 CO 0.11 -0.32 0.22 0.20 -0.31 0.00 0.00 175.10 175.00 1pg0 s ASN 525 N -3.93 6.21 0.31 4.85 0.01 0.24 -4.69 114.94 117.95 1pg0 s ASN 525 Ca 0.34 0.17 -0.29 0.00 -0.71 0.00 0.00 52.86 52.38 1pg0 s ASN 525 Cb -0.08 -1.86 -0.10 0.00 0.41 0.00 0.00 41.25 39.62 1pg0 s ASN 525 CO 0.27 0.11 1.18 -2.84 -1.51 0.00 0.00 177.10 174.31 1pg0 s PRO 526 N -2.86 4.46 0.15 -0.60 0.02 -1.26 -4.79 135.00 130.12 1pg0 s PRO 526 Ca 0.34 1.95 0.10 0.00 0.02 0.00 0.00 61.00 63.41 1pg0 s PRO 526 Cb -0.12 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 1pg0 s PRO 526 CO 0.27 0.00 -0.22 -0.59 -0.33 0.00 0.00 177.00 176.13 1pg0 s PHE 527 N -1.19 2.03 -0.54 6.54 -0.71 -1.26 -4.96 117.98 117.88 1pg0 s PHE 527 Ca 0.48 -0.41 -0.07 0.00 -1.04 0.00 0.00 56.93 55.89 1pg0 s PHE 527 Cb -0.34 -1.06 0.14 0.00 -1.21 0.00 0.00 43.02 40.55 1pg0 s PHE 527 CO 0.45 0.34 0.39 0.21 -1.34 0.00 0.00 175.22 175.27 1pg0 s LYS 528 N -2.36 2.54 0.00 1.99 2.20 -1.26 -4.93 119.74 117.93 1pg0 s LYS 528 Ca 0.14 -2.06 -0.00 0.00 -0.36 0.00 0.00 55.97 53.69 1pg0 s LYS 528 Cb -0.08 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 1pg0 s LYS 528 CO 0.07 -1.18 0.00 0.00 -0.36 0.00 0.00 175.35 173.88 1pg0 n ALA 529 N 4.37 -1.25 0.08 3.13 0.00 -1.26 -4.90 120.51 120.69 1pg0 n ALA 529 Ca -0.00 0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.46 1pg0 n ALA 529 Cb 0.41 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 18.97 1pg0 n ALA 529 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pg0 h LEU 530 N 4.12 0.24 -6.95 0.00 3.38 -1.95 -3.45 115.31 110.69 1pg0 h LEU 530 Ca -0.01 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1pg0 h LEU 530 Cb 0.02 -0.08 -0.22 0.00 0.09 0.00 0.00 40.66 40.47 1pg0 h LEU 530 CO 0.00 1.18 -0.19 -0.47 0.09 0.00 0.00 178.44 179.05 1pg0 s TYR 531 N -2.73 -1.25 0.17 1.13 6.14 -1.26 -4.93 117.35 114.62 1pg0 s TYR 531 Ca -0.02 2.12 -0.15 0.00 0.64 0.00 0.00 57.07 59.67 1pg0 s TYR 531 Cb 0.09 0.69 -0.07 0.00 0.42 0.00 0.00 41.96 43.08 1pg0 s TYR 531 CO 0.85 -0.65 0.58 -0.80 0.64 0.00 0.00 175.55 176.18 1pg0 s ASN 532 N 2.84 6.83 0.82 4.32 0.01 -1.26 -4.83 114.94 123.67 1pg0 s ASN 532 Ca -0.03 1.12 -0.12 0.00 -0.71 0.00 0.00 52.86 53.11 1pg0 s ASN 532 Cb -0.12 -2.30 0.09 0.00 0.41 0.00 0.00 41.25 39.33 1pg0 s ASN 532 CO -0.18 0.06 1.18 -0.13 -1.51 0.00 0.00 177.10 176.52 1pg0 s ARG 533 N -2.09 1.58 0.31 -0.60 0.52 -1.26 -5.02 118.95 112.39 1pg0 s ARG 533 Ca 0.40 1.65 0.11 0.00 -0.52 0.00 0.00 55.73 57.37 1pg0 s ARG 533 Cb -0.15 -1.78 -0.06 0.00 0.52 0.00 0.00 34.95 33.49 1pg0 s ARG 533 CO 0.20 -2.24 -0.13 0.96 0.02 0.00 0.00 175.30 174.11 1pg0 s ILE 534 N -2.32 2.43 0.17 1.52 -4.36 -1.26 -5.11 121.20 112.27 1pg0 s ILE 534 Ca 0.71 -2.26 0.03 0.00 -0.26 0.00 0.00 60.65 58.86 1pg0 s ILE 534 Cb -0.26 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 40.89 1pg0 s ILE 534 CO 0.52 -0.30 -0.03 1.51 0.24 0.00 0.00 174.94 176.89 1pg0 s ASP 535 N -3.58 1.43 0.64 4.36 3.84 -1.26 -4.93 116.67 117.16 1pg0 s ASP 535 Ca 0.32 -1.13 0.37 0.00 -0.00 0.00 0.00 52.55 52.10 1pg0 s ASP 535 Cb -0.01 0.07 2.08 0.00 -1.38 0.00 0.00 42.92 43.68 1pg0 s ASP 535 CO 0.16 -0.50 2.25 0.24 -0.00 0.00 0.00 175.17 177.32 1pg0 h MET 536 N 2.70 0.00 -0.11 2.11 2.86 -1.98 -1.59 114.93 118.92 1pg0 h MET 536 Ca -0.37 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.19 1pg0 h MET 536 Cb 1.20 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 1pg0 h MET 536 CO 0.63 0.00 -0.30 0.00 1.06 0.00 0.00 176.91 178.31 1pg0 h ARG 537 N 0.00 0.21 -0.14 1.72 3.08 -1.99 -0.41 114.38 116.85 1pg0 h ARG 537 Ca 0.01 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.83 1pg0 h ARG 537 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1pg0 h ARG 537 CO -0.00 0.49 -0.57 1.96 -1.07 0.00 0.00 179.97 180.78 1pg0 h GLN 538 N 0.19 0.45 -0.24 0.04 4.20 -1.70 -1.35 115.11 116.69 1pg0 h GLN 538 Ca 0.03 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.41 1pg0 h GLN 538 Cb 0.62 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1pg0 h GLN 538 CO 0.05 0.89 0.01 0.28 -0.67 0.00 0.00 178.83 179.39 1pg0 h VAL 539 N 0.34 1.25 -0.76 -0.54 2.07 -1.43 -0.73 116.25 116.44 1pg0 h VAL 539 Ca 0.00 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.71 1pg0 h VAL 539 Cb 1.10 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 1pg0 h VAL 539 CO 0.10 0.27 0.47 -0.33 0.02 0.00 0.00 177.57 178.10 1pg0 h GLU 540 N 0.20 0.85 -0.67 1.57 5.08 -0.95 -1.08 114.58 119.58 1pg0 h GLU 540 Ca 0.07 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1pg0 h GLU 540 Cb 0.38 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1pg0 h GLU 540 CO 0.01 0.57 0.12 0.00 -1.00 0.00 0.00 179.01 178.71 1pg0 h ALA 541 N 1.35 0.89 -0.21 3.43 0.00 -0.99 -0.63 119.26 123.11 1pg0 h ALA 541 Ca 0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pg0 h ALA 541 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1pg0 h ALA 541 CO -0.15 0.64 0.13 1.25 0.00 0.00 0.00 179.25 181.12 1pg0 h LEU 542 N 1.02 0.25 -0.20 0.00 5.85 -0.45 -0.23 115.31 121.56 1pg0 h LEU 542 Ca 0.21 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1pg0 h LEU 542 Cb 0.42 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1pg0 h LEU 542 CO 0.01 0.23 0.10 0.58 -0.34 0.00 0.00 178.44 179.01 1pg0 h VAL 543 N 0.26 1.13 -0.57 1.05 2.07 -1.04 -0.74 116.25 118.41 1pg0 h VAL 543 Ca 0.08 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1pg0 h VAL 543 Cb 0.02 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1pg0 h VAL 543 CO -0.01 0.12 0.33 -0.08 0.02 0.00 0.00 177.57 177.95 1pg0 h GLU 544 N 0.19 0.62 -0.84 1.57 4.57 -0.97 -1.45 114.58 118.28 1pg0 h GLU 544 Ca 0.07 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1pg0 h GLU 544 Cb 0.10 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 1pg0 h GLU 544 CO -0.01 0.41 0.39 0.00 -1.18 0.00 0.00 179.01 178.62 1pg0 h ALA 545 N 1.27 1.08 -0.08 2.92 0.00 -0.78 -2.26 119.26 121.41 1pg0 h ALA 545 Ca 0.24 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1pg0 h ALA 545 Cb 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1pg0 h ALA 545 CO -0.12 0.66 -0.25 0.77 0.00 0.00 0.00 179.25 180.30 1pg0 h SER 546 N 1.20 0.13 -0.10 0.00 0.02 -0.52 -2.41 113.55 111.88 1pg0 h SER 546 Ca 0.29 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1pg0 h SER 546 Cb 0.14 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1pg0 h SER 546 CO -0.03 0.40 -0.02 0.11 -1.14 0.00 0.00 176.83 176.14 1pg0 h LYS 547 N 0.13 0.19 0.00 3.45 1.57 -0.80 -3.14 116.57 117.97 1pg0 h LYS 547 Ca 0.02 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1pg0 h LYS 547 Cb 0.52 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1pg0 h LYS 547 CO 0.04 0.50 -0.00 0.93 -0.57 0.00 0.00 179.45 180.34 1pg0 h GLU 548 N -0.13 0.00 0.00 3.15 5.08 -1.10 -2.24 114.58 119.34 1pg0 h GLU 548 Ca 0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1pg0 h GLU 548 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1pg0 h GLU 548 CO 0.01 0.00 -0.41 0.93 -1.00 0.00 0.00 179.01 178.54 1pg0 h GLU 549 N 0.00 0.00 0.00 2.33 5.08 -1.39 -3.51 114.58 117.09 1pg0 h GLU 549 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pg0 h GLU 549 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1pg0 h GLU 549 CO 0.00 0.41 0.00 1.33 -1.00 0.00 0.00 179.01 179.75