#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pg8 h HIS 2 N 0.00 0.91 -3.08 1.12 -0.00 -2.06 -3.49 115.15 108.55 1pg8 h HIS 2 Ca 0.00 -0.14 0.09 0.00 -0.00 0.00 0.00 60.37 60.32 1pg8 h HIS 2 Cb 0.00 -0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 27.12 1pg8 h HIS 2 CO 0.00 0.83 -0.89 0.41 -0.00 0.00 0.00 177.93 178.28 1pg8 n GLY 3 N -0.58 -3.70 0.11 6.13 0.00 -1.26 -4.68 105.19 101.21 1pg8 n GLY 3 Ca 0.03 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1pg8 n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pg8 n SER 4 N -2.89 1.30 -1.32 1.61 2.88 -1.26 -4.52 113.62 109.42 1pg8 n SER 4 Ca -0.02 0.19 0.08 0.00 -1.33 0.00 0.00 58.87 57.78 1pg8 n SER 4 Cb 0.46 -0.19 0.32 0.00 -0.75 0.00 0.00 64.21 64.04 1pg8 n SER 4 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pg8 n ASN 5 N -3.17 4.56 -4.67 -3.46 5.03 -1.26 -5.00 115.26 107.30 1pg8 n ASN 5 Ca -0.29 -2.79 -0.42 0.00 0.87 0.00 0.00 54.58 51.94 1pg8 n ASN 5 Cb 1.06 -0.57 -0.03 0.00 -1.02 0.00 0.00 39.78 39.23 1pg8 n ASN 5 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1pg8 s LYS 6 N -2.46 4.24 0.21 3.52 2.20 -1.26 -4.99 119.74 121.19 1pg8 s LYS 6 Ca 0.46 1.94 -0.32 0.00 -0.36 0.00 0.00 55.97 57.69 1pg8 s LYS 6 Cb 0.34 -3.75 -0.15 0.00 -1.51 0.00 0.00 37.83 32.76 1pg8 s LYS 6 CO 0.15 -0.69 1.21 1.28 -0.36 0.00 0.00 175.35 176.94 1pg8 n LEU 7 N 6.25 2.01 -4.64 5.43 4.77 -1.26 -4.97 117.00 124.59 1pg8 n LEU 7 Ca 0.15 1.15 -0.35 0.00 -0.03 0.00 0.00 56.01 56.92 1pg8 n LEU 7 Cb 0.44 -1.28 0.10 0.00 -2.33 0.00 0.00 43.42 40.35 1pg8 n LEU 7 CO 0.59 -1.08 0.61 -2.65 -1.33 0.00 0.00 177.39 173.53 1pg8 n PRO 8 N 1.70 0.38 -1.03 3.23 -0.02 -1.26 -4.99 135.00 133.01 1pg8 n PRO 8 Ca 0.13 0.19 -0.29 0.00 -2.02 0.00 0.00 63.50 61.51 1pg8 n PRO 8 Cb 0.27 -2.30 0.17 0.00 -0.02 0.00 0.00 33.50 31.62 1pg8 n PRO 8 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1pg8 s GLY 9 N -1.82 1.60 0.14 -1.23 0.00 -1.26 -4.78 107.32 99.96 1pg8 s GLY 9 Ca 0.73 -0.10 -0.28 0.00 0.00 0.00 0.00 44.72 45.08 1pg8 s GLY 9 CO 0.51 0.46 1.59 -2.75 0.00 0.00 0.00 173.10 172.90 1pg8 h PHE 10 N -1.86 -1.14 -0.93 1.90 3.57 -1.99 -1.54 116.94 114.94 1pg8 h PHE 10 Ca -0.52 0.05 0.16 0.00 3.53 0.00 0.00 57.97 61.19 1pg8 h PHE 10 Cb 1.30 0.53 -0.10 0.00 2.79 0.00 0.00 35.95 40.47 1pg8 h PHE 10 CO 0.37 -0.45 0.52 0.00 -2.23 0.00 0.00 178.31 176.52 1pg8 h ALA 11 N 0.27 1.46 -0.36 2.41 0.00 -1.98 0.66 119.26 121.72 1pg8 h ALA 11 Ca 0.10 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1pg8 h ALA 11 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1pg8 h ALA 11 CO -0.43 -0.05 0.02 1.15 0.00 0.00 0.00 179.25 179.94 1pg8 h THR 12 N 0.71 1.25 -0.10 0.00 2.02 -1.66 -2.31 112.91 112.82 1pg8 h THR 12 Ca 0.52 -0.93 -0.21 0.00 0.77 0.00 0.00 66.41 66.56 1pg8 h THR 12 Cb 0.75 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1pg8 h THR 12 CO -0.37 0.31 -0.78 0.03 0.37 0.00 0.00 175.52 175.08 1pg8 h ARG 13 N 0.44 0.59 -0.16 6.66 3.08 -0.65 0.65 114.38 124.99 1pg8 h ARG 13 Ca 0.10 -0.50 0.04 0.00 0.07 0.00 0.00 59.98 59.70 1pg8 h ARG 13 Cb 0.42 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1pg8 h ARG 13 CO 0.01 1.12 0.11 0.00 -1.07 0.00 0.00 179.97 180.15 1pg8 h ALA 14 N 0.73 2.13 0.09 0.04 0.00 -0.85 -0.33 119.26 121.08 1pg8 h ALA 14 Ca -0.05 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.53 1pg8 h ALA 14 Cb 1.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1pg8 h ALA 14 CO 0.15 -0.18 -1.79 0.82 0.00 0.00 0.00 179.25 178.26 1pg8 h ILE 15 N 0.01 0.84 0.00 0.00 2.04 -1.01 -3.38 117.51 116.01 1pg8 h ILE 15 Ca 0.07 -2.57 -0.03 0.00 1.00 0.00 0.00 64.86 63.34 1pg8 h ILE 15 Cb 0.28 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 1pg8 h ILE 15 CO -0.00 0.77 -1.12 1.41 0.00 0.00 0.00 178.15 179.20 1pg8 n HIS 16 N -3.36 0.00 -1.63 1.37 8.25 0.18 -5.05 115.22 114.99 1pg8 n HIS 16 Ca -0.23 0.00 -0.48 0.00 -0.26 0.00 0.00 57.72 56.74 1pg8 n HIS 16 Cb 1.05 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 32.03 1pg8 n HIS 16 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1pg8 n HIS 17 N -2.05 1.89 -0.76 4.41 -0.00 -0.15 -2.33 115.22 116.23 1pg8 n HIS 17 Ca -0.03 0.47 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 1pg8 n HIS 17 Cb 0.54 -2.43 0.00 0.00 -0.00 0.00 0.00 29.99 28.10 1pg8 n HIS 17 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1pg8 n GLY 18 N 2.75 0.79 2.86 1.57 0.00 -1.26 -4.63 105.19 107.28 1pg8 n GLY 18 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1pg8 n GLY 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pg8 s TYR 19 N -2.98 1.08 -0.24 1.61 5.04 -0.98 -4.99 117.35 115.88 1pg8 s TYR 19 Ca 0.00 -0.44 -0.05 0.00 -2.44 0.00 0.00 57.07 54.14 1pg8 s TYR 19 Cb 0.00 -0.98 -0.01 0.00 0.35 0.00 0.00 41.96 41.32 1pg8 s TYR 19 CO 0.00 -0.38 -0.00 0.34 -1.34 0.00 0.00 175.55 174.17 1pg8 s ASP 20 N 1.60 4.58 0.54 4.32 -1.08 -1.26 -4.99 116.67 120.39 1pg8 s ASP 20 Ca 0.01 -0.47 0.25 0.00 -0.52 0.00 0.00 52.55 51.83 1pg8 s ASP 20 Cb -0.13 -1.79 1.44 0.00 -1.46 0.00 0.00 42.92 40.98 1pg8 s ASP 20 CO -0.05 -0.06 2.02 -0.65 0.52 0.00 0.00 175.17 176.95 1pg8 h PRO 21 N 8.14 0.00 -0.20 4.34 0.11 -1.90 -2.48 132.00 140.01 1pg8 h PRO 21 Ca -0.38 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.79 1pg8 h PRO 21 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1pg8 h PRO 21 CO 0.60 0.00 0.20 1.96 -0.21 0.00 0.00 178.00 180.54 1pg8 h GLN 22 N 0.00 0.00 -0.09 1.05 4.20 -1.89 0.42 115.11 118.80 1pg8 h GLN 22 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1pg8 h GLN 22 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1pg8 h GLN 22 CO -0.00 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 177.91 1pg8 n ASP 23 N -3.95 0.60 -2.70 1.46 8.00 -0.93 -4.27 116.55 114.76 1pg8 n ASP 23 Ca 0.02 -1.81 -0.06 0.00 0.71 0.00 0.00 54.79 53.66 1pg8 n ASP 23 Cb 0.33 -0.06 0.09 0.00 -0.02 0.00 0.00 41.12 41.46 1pg8 n ASP 23 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1pg8 n HIS 24 N -0.26 -0.92 -1.25 1.24 8.25 -0.56 -4.95 115.22 116.78 1pg8 n HIS 24 Ca 0.08 -2.15 -0.09 0.00 -0.26 0.00 0.00 57.72 55.31 1pg8 n HIS 24 Cb 0.12 0.82 -0.04 0.00 1.12 0.00 0.00 29.99 32.01 1pg8 n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pg8 n GLY 25 N -0.64 0.98 2.89 -1.41 0.00 -1.24 -2.20 105.19 103.56 1pg8 n GLY 25 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1pg8 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg8 n GLY 26 N -1.12 0.80 3.62 -0.02 0.00 0.03 -5.01 105.19 103.49 1pg8 n GLY 26 Ca -0.09 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.42 1pg8 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg8 n ALA 27 N 1.00 0.70 -0.17 4.61 0.00 -0.94 -4.81 120.51 120.90 1pg8 n ALA 27 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.54 1pg8 n ALA 27 Cb 0.01 -2.46 0.01 0.00 0.00 0.00 0.00 19.45 17.01 1pg8 n ALA 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1pg8 h LEU 28 N 9.91 0.73 -9.42 0.00 6.46 -1.92 -3.40 115.31 117.68 1pg8 h LEU 28 Ca -0.41 -0.22 -0.58 0.00 -0.12 0.00 0.00 57.88 56.55 1pg8 h LEU 28 Cb 1.30 -0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.96 1pg8 h LEU 28 CO 0.97 0.75 -0.15 -0.69 -0.62 0.00 0.00 178.44 178.71 1pg8 s VAL 29 N -5.36 5.13 0.31 1.05 1.01 -1.26 -4.91 120.40 116.36 1pg8 s VAL 29 Ca -0.13 0.93 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 1pg8 s VAL 29 Cb 0.11 -3.80 -0.12 0.00 0.00 0.00 0.00 36.38 32.58 1pg8 s VAL 29 CO 0.79 0.39 1.43 -2.65 0.00 0.00 0.00 175.10 175.06 1pg8 n PRO 30 N 3.17 2.33 -2.15 2.72 -0.02 -1.26 -4.97 135.00 134.82 1pg8 n PRO 30 Ca -0.09 0.82 -0.36 0.00 -2.02 0.00 0.00 63.50 61.85 1pg8 n PRO 30 Cb 0.52 -2.50 0.01 0.00 -0.02 0.00 0.00 33.50 31.51 1pg8 n PRO 30 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1pg8 s PRO 31 N -1.15 3.30 -0.24 0.52 0.04 -1.26 -5.00 135.00 131.21 1pg8 s PRO 31 Ca 0.61 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 63.21 1pg8 s PRO 31 Cb -0.56 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 1pg8 s PRO 31 CO 0.55 -0.93 0.59 0.08 0.04 0.00 0.00 177.00 177.34 1pg8 s VAL 32 N -1.63 5.02 -1.35 -0.36 1.01 -1.26 -4.85 120.40 116.98 1pg8 s VAL 32 Ca 0.72 1.07 -0.08 0.00 0.00 0.00 0.00 61.98 63.70 1pg8 s VAL 32 Cb -0.28 -3.90 0.11 0.00 0.00 0.00 0.00 36.38 32.30 1pg8 s VAL 32 CO 0.32 0.07 2.28 -1.22 0.00 0.00 0.00 175.10 176.55 1pg8 n TYR 33 N 5.49 2.73 -2.36 5.22 4.02 -1.26 -4.88 117.16 126.11 1pg8 n TYR 33 Ca -0.02 -2.85 -0.37 0.00 -0.01 0.00 0.00 57.90 54.65 1pg8 n TYR 33 Cb 0.49 -1.99 -0.03 0.00 -0.02 0.00 0.00 39.34 37.80 1pg8 n TYR 33 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1pg8 s GLN 34 N -0.04 3.34 -0.24 -0.72 2.00 -1.26 -4.82 119.66 117.92 1pg8 s GLN 34 Ca 0.51 -1.57 -0.21 0.00 -2.00 0.00 0.00 55.36 52.08 1pg8 s GLN 34 Cb 0.15 -5.40 0.06 0.00 0.80 0.00 0.00 33.01 28.63 1pg8 s GLN 34 CO -0.06 -2.96 0.64 -0.08 -0.50 0.00 0.00 175.29 172.32 1pg8 s THR 35 N 7.11 -0.00 -0.14 -0.34 -1.32 -1.26 -5.08 115.64 114.61 1pg8 s THR 35 Ca 0.60 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.97 1pg8 s THR 35 Cb 0.02 -0.89 -0.24 0.00 -1.51 0.00 0.00 72.50 69.87 1pg8 s THR 35 CO 0.09 0.00 0.33 0.00 -2.21 0.00 0.00 174.62 172.83 1pg8 n ALA 36 N 2.86 0.85 -2.60 11.08 0.00 -1.26 -4.63 120.51 126.80 1pg8 n ALA 36 Ca -0.14 -0.55 -0.23 0.00 0.00 0.00 0.00 53.44 52.51 1pg8 n ALA 36 Cb 0.56 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 1pg8 n ALA 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pg8 s THR 37 N -2.51 3.20 0.30 0.00 2.01 -1.26 -1.10 115.64 116.27 1pg8 s THR 37 Ca -0.24 -1.95 0.07 0.00 0.31 0.00 0.00 61.69 59.88 1pg8 s THR 37 Cb 0.06 -2.79 -0.06 0.00 0.01 0.00 0.00 72.50 69.72 1pg8 s THR 37 CO 0.73 -0.34 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.90 1pg8 s PHE 38 N -2.38 2.11 0.27 4.92 0.40 -1.12 -4.95 117.98 117.24 1pg8 s PHE 38 Ca 0.32 -0.64 0.11 0.00 -0.60 0.00 0.00 56.93 56.12 1pg8 s PHE 38 Cb -0.05 -1.22 -0.05 0.00 0.51 0.00 0.00 43.02 42.21 1pg8 s PHE 38 CO 0.20 0.37 -0.12 0.99 0.70 0.00 0.00 175.22 177.36 1pg8 s THR 39 N -2.89 2.89 0.02 0.64 2.01 -1.26 -4.82 115.64 112.23 1pg8 s THR 39 Ca 0.31 -2.19 0.08 0.00 0.31 0.00 0.00 61.69 60.20 1pg8 s THR 39 Cb 0.04 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 1pg8 s THR 39 CO 0.14 -0.38 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.10 1pg8 s PHE 40 N -2.41 2.00 0.21 4.92 2.99 -1.26 -5.01 117.98 119.42 1pg8 s PHE 40 Ca 0.30 -0.38 -0.02 0.00 0.00 0.00 0.00 56.93 56.83 1pg8 s PHE 40 Cb -0.06 -1.23 0.19 0.00 0.00 0.00 0.00 43.02 41.92 1pg8 s PHE 40 CO 0.17 0.04 1.58 -1.00 -0.00 0.00 0.00 175.22 176.01 1pg8 h PRO 41 N 5.17 0.60 0.00 0.24 0.13 -2.01 -3.46 132.00 132.67 1pg8 h PRO 41 Ca -0.42 -0.31 -0.17 0.00 -0.87 0.00 0.00 66.00 64.23 1pg8 h PRO 41 Cb 1.14 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1pg8 h PRO 41 CO 0.45 0.90 -0.15 0.25 -0.23 0.00 0.00 178.00 179.22 1pg8 n THR 42 N -4.03 0.00 1.03 1.56 -2.24 -1.26 -5.05 114.28 104.29 1pg8 n THR 42 Ca -0.02 -0.91 0.11 0.00 -2.27 0.00 0.00 64.05 60.97 1pg8 n THR 42 Cb 0.52 0.47 0.14 0.00 -2.10 0.00 0.00 70.33 69.36 1pg8 n THR 42 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1pg8 n VAL 43 N -0.25 0.00 -0.01 2.28 0.24 -1.26 -2.85 118.33 116.48 1pg8 n VAL 43 Ca 0.02 -0.03 -0.16 0.00 -2.04 0.00 0.00 64.34 62.13 1pg8 n VAL 43 Cb 0.24 0.56 -0.11 0.00 -1.47 0.00 0.00 33.84 33.06 1pg8 n VAL 43 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1pg8 h GLU 44 N 0.29 0.29 -0.10 7.34 3.07 -1.99 -0.90 114.58 122.58 1pg8 h GLU 44 Ca 0.00 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 58.50 1pg8 h GLU 44 Cb 0.52 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1pg8 h GLU 44 CO 0.00 1.02 -0.12 -0.92 -1.40 0.00 0.00 179.01 177.59 1pg8 h TYR 45 N -0.30 0.16 -0.21 4.33 3.20 -1.98 -2.37 116.97 119.80 1pg8 h TYR 45 Ca -0.06 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.74 1pg8 h TYR 45 Cb 1.18 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 1pg8 h TYR 45 CO 0.17 0.28 -0.10 0.78 -1.64 0.00 0.00 178.16 177.65 1pg8 h GLY 46 N 0.63 0.47 1.55 1.82 0.00 -1.51 -2.75 103.07 103.28 1pg8 h GLY 46 Ca 0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 1pg8 h GLY 46 CO 0.02 0.39 -0.25 0.00 0.00 0.00 0.00 176.54 176.70 1pg8 h ALA 47 N 0.70 1.07 0.00 3.60 0.00 -1.10 -2.55 119.26 120.98 1pg8 h ALA 47 Ca 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1pg8 h ALA 47 Cb 0.59 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pg8 h ALA 47 CO 0.03 0.57 -0.15 0.00 0.00 0.00 0.00 179.25 179.70 1pg8 h ALA 48 N 1.28 1.08 0.02 0.00 0.00 -1.47 -2.62 119.26 117.55 1pg8 h ALA 48 Ca 0.07 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.57 1pg8 h ALA 48 Cb 0.68 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.47 1pg8 h ALA 48 CO 0.05 0.19 -1.05 0.00 0.00 0.00 0.00 179.25 178.43 1pg8 h PHE 50 N 0.34 0.00 -0.00 0.00 -1.00 -1.42 -3.04 116.94 111.81 1pg8 h PHE 50 Ca -0.14 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.64 1pg8 h PHE 50 Cb 1.72 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.28 1pg8 h PHE 50 CO 0.11 0.11 -0.11 0.00 -1.61 0.00 0.00 178.31 176.81 1pg8 n ALA 51 N -2.18 2.62 -2.32 2.45 0.00 -1.00 -4.91 120.51 115.16 1pg8 n ALA 51 Ca -0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1pg8 n ALA 51 Cb 0.33 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1pg8 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pg8 n GLY 52 N 1.47 -0.09 0.13 0.00 0.00 -1.15 -4.95 105.19 100.60 1pg8 n GLY 52 Ca 0.08 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 1pg8 n GLY 52 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pg8 n GLU 53 N -2.23 0.63 -4.17 1.61 2.13 -0.48 -4.90 120.64 113.22 1pg8 n GLU 53 Ca -0.12 0.17 -0.31 0.00 0.66 0.00 0.00 57.16 57.56 1pg8 n GLU 53 Cb 0.60 -1.51 -0.08 0.00 0.27 0.00 0.00 31.44 30.72 1pg8 n GLU 53 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1pg8 s GLN 54 N -2.51 2.67 -0.42 5.31 2.00 -0.43 -5.01 119.66 121.26 1pg8 s GLN 54 Ca -0.35 -0.74 -0.02 0.00 -2.00 0.00 0.00 55.36 52.24 1pg8 s GLN 54 Cb 0.10 -2.61 0.23 0.00 0.80 0.00 0.00 33.01 31.53 1pg8 s GLN 54 CO 0.58 0.57 2.17 0.00 -0.50 0.00 0.00 175.29 178.11 1pg8 n ALA 55 N 0.83 5.62 -2.85 1.58 0.00 -1.26 -4.57 120.51 119.86 1pg8 n ALA 55 Ca -0.12 -2.30 -0.22 0.00 0.00 0.00 0.00 53.44 50.80 1pg8 n ALA 55 Cb 0.52 -1.61 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 1pg8 n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pg8 s GLY 56 N -0.17 1.41 0.35 0.00 0.00 -1.26 -5.13 107.32 102.53 1pg8 s GLY 56 Ca 0.43 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1pg8 s GLY 56 CO -0.06 -1.38 0.55 0.30 0.00 0.00 0.00 173.10 172.52 1pg8 s HIS 57 N -2.05 3.50 0.00 1.90 3.76 -1.26 -4.85 115.29 116.30 1pg8 s HIS 57 Ca 0.33 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.60 1pg8 s HIS 57 Cb -0.08 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.70 1pg8 s HIS 57 CO 0.26 0.11 0.00 1.97 -0.85 0.00 0.00 174.74 176.23 1pg8 n PHE 58 N -1.79 0.00 -3.64 1.40 -1.74 -1.26 -4.67 117.46 105.76 1pg8 n PHE 58 Ca -0.05 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.76 1pg8 n PHE 58 Cb 0.56 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.49 1pg8 n PHE 58 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1pg8 s TYR 59 N -1.76 -0.63 0.06 2.97 6.14 -1.26 -2.79 117.35 120.08 1pg8 s TYR 59 Ca 0.00 1.43 0.19 0.00 0.64 0.00 0.00 57.07 59.33 1pg8 s TYR 59 Cb 0.00 0.38 0.56 0.00 0.42 0.00 0.00 41.96 43.32 1pg8 s TYR 59 CO 0.00 -0.31 1.67 0.77 0.64 0.00 0.00 175.55 178.32 1pg8 h SER 60 N 5.12 0.00 -0.85 4.32 0.02 -1.22 -2.60 113.55 118.34 1pg8 h SER 60 Ca -0.29 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1pg8 h SER 60 Cb 1.18 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 1pg8 h SER 60 CO 0.12 0.37 0.41 -0.09 -1.14 0.00 0.00 176.83 176.50 1pg8 h ARG 61 N 0.00 1.23 0.00 3.45 2.43 -1.95 -3.32 114.38 116.22 1pg8 h ARG 61 Ca -0.00 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1pg8 h ARG 61 Cb 1.00 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1pg8 h ARG 61 CO 0.05 0.95 -0.03 0.82 -1.51 0.00 0.00 179.97 180.25 1pg8 h ILE 62 N 1.22 0.64 -2.74 1.20 5.03 -1.89 -3.44 117.51 117.52 1pg8 h ILE 62 Ca 0.29 -1.49 -0.10 0.00 -0.12 0.00 0.00 64.86 63.44 1pg8 h ILE 62 Cb 0.13 1.22 -0.20 0.00 -3.03 0.00 0.00 36.82 34.93 1pg8 h ILE 62 CO -0.04 0.22 -0.15 -0.55 -0.68 0.00 0.00 178.15 176.95 1pg8 s SER 63 N -5.80 -0.33 -0.02 1.72 0.15 -1.00 -4.98 113.70 103.43 1pg8 s SER 63 Ca -0.07 0.32 -0.02 0.00 0.70 0.00 0.00 55.95 56.88 1pg8 s SER 63 Cb -0.01 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1pg8 s SER 63 CO 0.25 -0.46 0.05 0.21 1.20 0.00 0.00 173.24 174.49 1pg8 s ASN 64 N -1.16 -0.05 0.42 5.45 3.84 -1.26 -3.85 114.94 118.34 1pg8 s ASN 64 Ca -0.12 0.10 0.10 0.00 0.21 0.00 0.00 52.86 53.15 1pg8 s ASN 64 Cb -0.04 0.09 0.89 0.00 -0.55 0.00 0.00 41.25 41.65 1pg8 s ASN 64 CO 0.05 -0.03 2.00 1.55 -2.79 0.00 0.00 177.10 177.88 1pg8 h PRO 65 N 6.17 0.27 -0.44 0.43 0.13 -1.97 0.51 132.00 137.10 1pg8 h PRO 65 Ca -0.26 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.73 1pg8 h PRO 65 Cb 1.20 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1pg8 h PRO 65 CO 0.48 0.30 -0.11 1.15 -0.23 0.00 0.00 178.00 179.59 1pg8 h THR 66 N 0.27 1.27 -0.59 1.56 2.02 -1.89 -2.49 112.91 113.07 1pg8 h THR 66 Ca 0.06 -1.23 -0.07 0.00 0.77 0.00 0.00 66.41 65.95 1pg8 h THR 66 Cb 0.19 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1pg8 h THR 66 CO 0.00 0.42 0.10 -0.07 0.37 0.00 0.00 175.52 176.34 1pg8 h LEU 67 N 0.68 0.90 -0.85 2.58 4.07 -1.75 -2.90 115.31 118.04 1pg8 h LEU 67 Ca 0.11 -0.19 -0.08 0.00 0.08 0.00 0.00 57.88 57.80 1pg8 h LEU 67 Cb 0.66 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1pg8 h LEU 67 CO 0.05 0.90 0.03 0.78 -1.08 0.00 0.00 178.44 179.11 1pg8 h ASN 68 N 0.90 0.85 -0.42 -0.43 -0.26 0.11 -1.22 115.58 115.10 1pg8 h ASN 68 Ca 0.18 -0.21 -0.07 0.00 -0.56 0.00 0.00 56.30 55.65 1pg8 h ASN 68 Cb 0.38 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1pg8 h ASN 68 CO 0.01 0.90 -0.02 0.25 -1.06 0.00 0.00 177.43 177.51 1pg8 h LEU 69 N 0.83 0.75 -0.28 1.61 5.85 -1.36 0.55 115.31 123.26 1pg8 h LEU 69 Ca 0.16 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.60 1pg8 h LEU 69 Cb 0.46 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1pg8 h LEU 69 CO 0.02 0.89 0.04 0.25 -0.34 0.00 0.00 178.44 179.29 1pg8 h LEU 70 N 0.60 -0.03 -0.47 2.25 5.85 -1.30 0.13 115.31 122.34 1pg8 h LEU 70 Ca 0.12 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1pg8 h LEU 70 Cb 0.51 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1pg8 h LEU 70 CO 0.03 0.02 0.25 -0.33 -0.34 0.00 0.00 178.44 178.06 1pg8 h GLU 71 N 0.13 0.66 -0.39 1.25 5.08 -1.05 -0.28 114.58 119.98 1pg8 h GLU 71 Ca 0.13 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1pg8 h GLU 71 Cb 0.15 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1pg8 h GLU 71 CO -0.19 0.54 0.23 0.00 -1.00 0.00 0.00 179.01 178.59 1pg8 h ALA 72 N 1.09 0.50 -0.31 3.43 0.00 -0.67 -0.10 119.26 123.20 1pg8 h ALA 72 Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pg8 h ALA 72 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1pg8 h ALA 72 CO -0.02 0.00 0.09 -0.09 0.00 0.00 0.00 179.25 179.22 1pg8 h ARG 73 N 0.51 0.48 -0.65 0.00 2.43 -0.67 -1.72 114.38 114.77 1pg8 h ARG 73 Ca 0.14 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1pg8 h ARG 73 Cb 0.01 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1pg8 h ARG 73 CO -0.03 0.54 0.21 0.52 -1.51 0.00 0.00 179.97 179.71 1pg8 h MET 74 N 0.33 0.97 -0.40 0.20 2.86 -0.91 -1.82 114.93 116.17 1pg8 h MET 74 Ca 0.10 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1pg8 h MET 74 Cb 0.27 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1pg8 h MET 74 CO -0.00 0.83 0.15 0.00 1.06 0.00 0.00 176.91 178.95 1pg8 h ALA 75 N 1.29 0.52 -0.95 6.32 0.00 -0.78 -0.71 119.26 124.94 1pg8 h ALA 75 Ca 0.21 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1pg8 h ALA 75 Cb 0.25 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.79 1pg8 h ALA 75 CO -0.01 0.13 0.56 1.03 0.00 0.00 0.00 179.25 180.96 1pg8 h SER 76 N 0.49 0.75 0.02 0.00 0.87 -1.04 0.16 113.55 114.81 1pg8 h SER 76 Ca 0.13 0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 60.55 1pg8 h SER 76 Cb 0.20 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1pg8 h SER 76 CO -0.01 0.33 -0.82 -0.07 -0.53 0.00 0.00 176.83 175.73 1pg8 h LEU 77 N 0.79 0.78 -0.09 2.23 4.07 -0.56 -2.28 115.31 120.26 1pg8 h LEU 77 Ca 0.51 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1pg8 h LEU 77 Cb 0.69 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1pg8 h LEU 77 CO -0.34 1.33 0.00 -0.62 -1.08 0.00 0.00 178.44 177.73 1pg8 n GLU 78 N -3.88 0.25 -0.77 1.13 -0.58 -0.35 -4.77 120.64 111.67 1pg8 n GLU 78 Ca -0.07 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1pg8 n GLU 78 Cb 0.77 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1pg8 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pg8 n GLY 79 N 1.15 0.63 3.99 0.62 0.00 0.32 -4.63 105.19 107.28 1pg8 n GLY 79 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1pg8 n GLY 79 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pg8 s GLY 80 N -1.98 1.81 0.01 -0.02 0.00 0.20 -4.96 107.32 102.37 1pg8 s GLY 80 Ca 0.00 -1.62 -0.13 0.00 0.00 0.00 0.00 44.72 42.96 1pg8 s GLY 80 CO 0.00 -1.23 0.89 -2.09 0.00 0.00 0.00 173.10 170.67 1pg8 h GLU 81 N -0.04 0.48 -3.37 2.90 4.81 -1.73 -3.37 114.58 114.26 1pg8 h GLU 81 Ca -0.38 -0.81 -0.11 0.00 -0.13 0.00 0.00 59.36 57.93 1pg8 h GLU 81 Cb 1.28 0.30 -0.18 0.00 0.63 0.00 0.00 28.75 30.79 1pg8 h GLU 81 CO 0.46 1.39 -0.33 0.00 -0.73 0.00 0.00 179.01 179.80 1pg8 s ALA 82 N -2.60 -0.55 0.06 2.92 0.00 0.12 -4.81 121.76 116.91 1pg8 s ALA 82 Ca -0.11 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 51.84 1pg8 s ALA 82 Cb 0.05 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1pg8 s ALA 82 CO 0.91 -0.35 -0.14 0.20 0.00 0.00 0.00 175.76 176.38 1pg8 s GLY 83 N -1.90 0.85 -0.05 0.00 0.00 -1.26 -1.67 107.32 103.29 1pg8 s GLY 83 Ca -0.07 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1pg8 s GLY 83 CO -0.02 -0.98 -0.14 -2.27 0.00 0.00 0.00 173.10 169.69 1pg8 s LEU 84 N -1.61 1.83 -0.12 0.66 0.20 0.58 -4.79 118.68 115.43 1pg8 s LEU 84 Ca -0.01 -0.31 -0.03 0.00 0.69 0.00 0.00 54.13 54.47 1pg8 s LEU 84 Cb -0.09 -0.86 -0.03 0.00 -0.43 0.00 0.00 46.19 44.77 1pg8 s LEU 84 CO 0.02 0.11 -0.01 0.00 -0.29 0.00 0.00 176.35 176.17 1pg8 s ALA 85 N 0.22 3.16 0.26 5.97 0.00 -1.26 -1.30 121.76 128.81 1pg8 s ALA 85 Ca -0.07 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1pg8 s ALA 85 Cb -0.12 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1pg8 s ALA 85 CO 0.02 0.40 0.16 -0.51 0.00 0.00 0.00 175.76 175.83 1pg8 s LEU 86 N -0.27 1.46 0.46 0.00 1.02 0.06 -4.44 118.68 116.98 1pg8 s LEU 86 Ca 0.05 -1.50 0.31 0.00 0.02 0.00 0.00 54.13 53.02 1pg8 s LEU 86 Cb -0.12 0.30 1.29 0.00 0.02 0.00 0.00 46.19 47.68 1pg8 s LEU 86 CO 0.02 -0.87 1.91 0.00 0.02 0.00 0.00 176.35 177.43 1pg8 h ALA 87 N 2.39 1.00 -2.60 4.21 0.00 -1.12 0.70 119.26 123.84 1pg8 h ALA 87 Ca -0.34 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.70 1pg8 h ALA 87 Cb 1.25 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1pg8 h ALA 87 CO 0.51 0.00 0.38 -1.54 0.00 0.00 0.00 179.25 178.60 1pg8 s SER 88 N -5.20 -0.24 0.17 0.00 1.04 -1.26 -3.46 113.70 104.76 1pg8 s SER 88 Ca 0.02 -0.44 -0.19 0.00 0.48 0.00 0.00 55.95 55.82 1pg8 s SER 88 Cb 0.09 0.57 0.10 0.00 0.10 0.00 0.00 66.02 66.89 1pg8 s SER 88 CO 0.49 -1.05 1.63 1.23 0.98 0.00 0.00 173.24 176.52 1pg8 h GLY 89 N 2.00 0.07 1.82 7.32 0.00 -1.71 -1.28 103.07 111.29 1pg8 h GLY 89 Ca -0.23 0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1pg8 h GLY 89 CO 0.25 -0.20 -0.09 -0.33 0.00 0.00 0.00 176.54 176.17 1pg8 h MET 90 N -0.13 0.23 -0.26 4.80 2.86 -1.92 0.05 114.93 120.55 1pg8 h MET 90 Ca 0.20 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1pg8 h MET 90 Cb 0.44 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1pg8 h MET 90 CO -0.49 0.33 -0.19 0.78 1.06 0.00 0.00 176.91 178.40 1pg8 h GLY 91 N 0.66 0.51 0.64 8.32 0.00 -1.79 0.31 103.07 111.72 1pg8 h GLY 91 Ca 0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1pg8 h GLY 91 CO 0.02 0.35 -0.00 0.00 0.00 0.00 0.00 176.54 176.91 1pg8 h ALA 92 N 1.37 0.01 -0.12 3.60 0.00 0.11 -2.35 119.26 121.89 1pg8 h ALA 92 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1pg8 h ALA 92 Cb 0.58 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pg8 h ALA 92 CO 0.04 -0.30 0.02 0.82 0.00 0.00 0.00 179.25 179.83 1pg8 h ILE 93 N -0.35 1.21 -0.20 0.00 2.04 -0.99 -2.28 117.51 116.95 1pg8 h ILE 93 Ca 0.00 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 1pg8 h ILE 93 Cb 0.37 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1pg8 h ILE 93 CO 0.00 0.19 0.05 0.71 0.00 0.00 0.00 178.15 179.10 1pg8 h THR 94 N -0.02 1.20 -0.94 -0.27 1.35 -0.49 -1.64 112.91 112.10 1pg8 h THR 94 Ca 0.04 -0.64 0.06 0.00 -0.55 0.00 0.00 66.41 65.31 1pg8 h THR 94 Cb 0.28 1.25 -0.06 0.00 -1.73 0.00 0.00 68.15 67.89 1pg8 h THR 94 CO 0.00 0.20 0.60 0.28 -0.25 0.00 0.00 175.52 176.35 1pg8 h SER 95 N 0.14 0.95 0.52 5.36 0.02 -1.47 0.95 113.55 120.03 1pg8 h SER 95 Ca 0.06 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1pg8 h SER 95 Cb 0.26 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.61 1pg8 h SER 95 CO 0.00 0.62 -0.25 0.74 -1.14 0.00 0.00 176.83 176.79 1pg8 h THR 96 N 1.09 0.25 -0.69 -2.27 2.02 -1.26 -2.65 112.91 109.40 1pg8 h THR 96 Ca 0.40 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1pg8 h THR 96 Cb 0.15 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1pg8 h THR 96 CO -0.17 0.04 0.41 -0.07 0.37 0.00 0.00 175.52 176.10 1pg8 h LEU 97 N -1.07 0.83 -1.39 2.58 3.38 -1.17 -1.07 115.31 117.41 1pg8 h LEU 97 Ca -0.07 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1pg8 h LEU 97 Cb 0.61 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1pg8 h LEU 97 CO 0.12 0.66 0.48 -0.50 0.09 0.00 0.00 178.44 179.29 1pg8 h TRP 98 N 0.94 0.75 -0.33 1.13 -0.00 -0.89 -1.71 115.95 115.83 1pg8 h TRP 98 Ca 0.25 0.02 -0.12 0.00 -0.00 0.00 0.00 58.89 59.03 1pg8 h TRP 98 Cb -0.01 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 28.89 1pg8 h TRP 98 CO -0.01 0.38 -0.28 1.15 -0.00 0.00 0.00 178.44 179.68 1pg8 h THR 99 N 0.73 1.29 0.00 1.49 2.02 -0.84 -3.36 112.91 114.24 1pg8 h THR 99 Ca 0.32 -1.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.03 1pg8 h THR 99 Cb 0.31 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1pg8 h THR 99 CO -0.11 0.47 -1.11 0.18 0.37 0.00 0.00 175.52 175.32 1pg8 n LEU 100 N -4.23 0.82 -4.52 2.58 4.77 -0.76 -4.93 117.00 110.74 1pg8 n LEU 100 Ca -0.03 0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 55.98 1pg8 n LEU 100 Cb 0.47 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1pg8 n LEU 100 CO 0.45 -0.12 -0.47 -0.76 -1.33 0.00 0.00 177.39 175.16 1pg8 s LEU 101 N -5.41 2.81 0.11 2.23 1.43 -0.68 -4.99 118.68 114.18 1pg8 s LEU 101 Ca -0.01 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1pg8 s LEU 101 Cb 0.09 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 1pg8 s LEU 101 CO 0.80 0.19 0.06 -0.13 0.23 0.00 0.00 176.35 177.49 1pg8 s ARG 102 N -2.10 0.85 0.28 1.70 1.81 -1.26 -4.83 118.95 115.40 1pg8 s ARG 102 Ca 0.19 -1.31 -0.30 0.00 -1.72 0.00 0.00 55.73 52.58 1pg8 s ARG 102 Cb -0.11 0.25 -0.13 0.00 -0.45 0.00 0.00 34.95 34.52 1pg8 s ARG 102 CO 0.11 -0.23 1.38 -2.30 -0.68 0.00 0.00 175.30 173.58 1pg8 n PRO 103 N -0.04 2.12 0.00 3.54 -0.02 -1.26 -1.68 135.00 137.66 1pg8 n PRO 103 Ca -0.09 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1pg8 n PRO 103 Cb 0.63 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1pg8 n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pg8 n GLY 104 N 1.67 3.21 3.76 -1.23 0.00 -0.62 -4.99 105.19 106.99 1pg8 n GLY 104 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1pg8 n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg8 s ASP 105 N -0.08 5.26 -0.08 1.61 -0.00 -0.68 -4.84 116.67 117.86 1pg8 s ASP 105 Ca 0.00 2.29 0.02 0.00 -0.00 0.00 0.00 52.55 54.86 1pg8 s ASP 105 Cb 0.00 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.31 1pg8 s ASP 105 CO 0.00 -1.54 -0.14 -0.70 -0.00 0.00 0.00 175.17 172.79 1pg8 s GLU 106 N -3.43 2.80 -0.13 8.23 2.12 -0.23 -1.64 118.70 126.41 1pg8 s GLU 106 Ca 0.75 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 55.38 1pg8 s GLU 106 Cb -0.27 -2.46 -0.01 0.00 0.26 0.00 0.00 34.13 31.64 1pg8 s GLU 106 CO 0.33 0.48 -0.14 0.54 -0.54 0.00 0.00 175.26 175.93 1pg8 s VAL 107 N -0.36 2.98 -0.10 3.70 0.11 -0.08 -1.20 120.40 125.46 1pg8 s VAL 107 Ca 0.04 -0.69 -0.19 0.00 -2.93 0.00 0.00 61.98 58.21 1pg8 s VAL 107 Cb -0.12 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 32.44 1pg8 s VAL 107 CO 0.02 0.52 0.51 -0.76 -3.33 0.00 0.00 175.10 172.07 1pg8 s LEU 108 N 0.38 4.30 0.10 2.54 1.43 -0.09 -2.12 118.68 125.21 1pg8 s LEU 108 Ca -0.11 0.89 0.10 0.00 -1.03 0.00 0.00 54.13 53.98 1pg8 s LEU 108 Cb -0.16 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 1pg8 s LEU 108 CO 0.06 0.01 -0.26 -0.76 0.23 0.00 0.00 176.35 175.62 1pg8 s LEU 109 N 0.52 2.26 0.61 1.79 1.43 0.18 -0.91 118.68 124.57 1pg8 s LEU 109 Ca 0.28 -0.68 -0.19 0.00 -1.03 0.00 0.00 54.13 52.50 1pg8 s LEU 109 Cb -0.16 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 1pg8 s LEU 109 CO 0.12 0.20 1.31 0.61 0.23 0.00 0.00 176.35 178.81 1pg8 n GLY 110 N 1.26 0.60 0.31 -3.19 0.00 -0.84 -1.44 105.19 101.88 1pg8 n GLY 110 Ca -0.18 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 45.82 1pg8 n GLY 110 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pg8 h ASN 111 N 0.82 0.30 -4.14 1.61 -0.26 -1.80 -3.41 115.58 108.70 1pg8 h ASN 111 Ca -0.51 -0.00 -0.60 0.00 -0.56 0.00 0.00 56.30 54.63 1pg8 h ASN 111 Cb 1.33 -0.07 -0.23 0.00 -1.06 0.00 0.00 38.32 38.29 1pg8 h ASN 111 CO 0.54 0.21 -0.84 0.42 -1.06 0.00 0.00 177.43 176.70 1pg8 s THR 112 N -5.33 1.85 0.04 2.81 -4.23 -1.26 -4.98 115.64 104.53 1pg8 s THR 112 Ca -0.07 -1.52 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1pg8 s THR 112 Cb 0.18 -1.66 -0.02 0.00 1.34 0.00 0.00 72.50 72.34 1pg8 s THR 112 CO 0.72 0.05 0.02 -0.76 -0.54 0.00 0.00 174.62 174.10 1pg8 s LEU 113 N -1.77 2.15 0.23 4.79 1.43 -1.26 -4.74 118.68 119.50 1pg8 s LEU 113 Ca 0.09 -0.67 -0.32 0.00 -1.03 0.00 0.00 54.13 52.20 1pg8 s LEU 113 Cb -0.10 0.33 -0.14 0.00 0.03 0.00 0.00 46.19 46.32 1pg8 s LEU 113 CO 0.04 -0.48 1.38 0.00 0.23 0.00 0.00 176.35 177.52 1pg8 n TYR 114 N 0.80 2.04 -0.31 0.29 9.36 -1.26 -4.72 117.16 123.36 1pg8 n TYR 114 Ca -0.19 0.46 0.13 0.00 3.32 0.00 0.00 57.90 61.62 1pg8 n TYR 114 Cb 0.58 -2.44 0.31 0.00 -0.63 0.00 0.00 39.34 37.16 1pg8 n TYR 114 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1pg8 h GLY 115 N 4.18 1.57 1.91 2.98 0.00 -2.00 -0.73 103.07 110.99 1pg8 h GLY 115 Ca -0.45 -0.21 -0.20 0.00 0.00 0.00 0.00 47.33 46.47 1pg8 h GLY 115 CO 0.76 -0.22 -0.93 0.00 0.00 0.00 0.00 176.54 176.15 1pg8 h THR 117 N 0.03 0.63 -0.93 0.00 2.02 -1.72 0.39 112.91 113.34 1pg8 h THR 117 Ca -0.03 -0.04 0.23 0.00 0.77 0.00 0.00 66.41 67.34 1pg8 h THR 117 Cb 1.62 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 68.61 1pg8 h THR 117 CO 0.13 0.01 0.62 0.15 0.37 0.00 0.00 175.52 176.80 1pg8 h PHE 118 N -0.52 0.43 -0.06 3.16 3.57 -1.04 -1.03 116.94 121.45 1pg8 h PHE 118 Ca -0.05 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.32 1pg8 h PHE 118 Cb 0.40 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 39.02 1pg8 h PHE 118 CO -0.05 0.10 -0.53 0.00 -2.23 0.00 0.00 178.31 175.60 1pg8 h ALA 119 N 1.60 0.14 -0.58 2.41 0.00 -0.47 -2.51 119.26 119.84 1pg8 h ALA 119 Ca 0.48 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1pg8 h ALA 119 Cb 1.36 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1pg8 h ALA 119 CO -0.16 0.35 0.36 0.35 0.00 0.00 0.00 179.25 180.15 1pg8 h PHE 120 N -0.00 0.66 0.38 0.00 3.57 0.70 -1.02 116.94 121.24 1pg8 h PHE 120 Ca -0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1pg8 h PHE 120 Cb 1.20 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1pg8 h PHE 120 CO 0.13 0.38 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.34 1pg8 h LEU 121 N 0.70 -0.43 -0.47 0.59 3.38 -1.27 0.06 115.31 117.88 1pg8 h LEU 121 Ca 0.23 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 1pg8 h LEU 121 Cb 0.02 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1pg8 h LEU 121 CO -0.10 -0.01 -0.68 0.45 0.09 0.00 0.00 178.44 178.19 1pg8 h HIS 122 N -0.97 0.51 -0.01 1.13 3.86 -1.49 0.22 115.15 118.40 1pg8 h HIS 122 Ca -0.05 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1pg8 h HIS 122 Cb 0.53 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1pg8 h HIS 122 CO 0.03 0.95 -0.34 0.72 0.86 0.00 0.00 177.93 180.14 1pg8 n HIS 123 N -3.86 0.00 0.00 2.45 8.25 -0.40 -4.25 115.22 117.42 1pg8 n HIS 123 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1pg8 n HIS 123 Cb 0.68 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.79 1pg8 n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pg8 n GLY 124 N 1.08 0.58 0.26 -1.41 0.00 -0.37 -4.75 105.19 100.59 1pg8 n GLY 124 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1pg8 n GLY 124 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pg8 h ILE 125 N 0.00 1.07 0.00 -0.61 2.10 -1.16 -1.70 117.51 117.21 1pg8 h ILE 125 Ca 0.00 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1pg8 h ILE 125 Cb 0.00 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 1pg8 h ILE 125 CO 0.00 0.09 0.00 0.61 -1.08 0.00 0.00 178.15 177.77 1pg8 n GLY 126 N -1.31 -1.22 0.61 8.18 0.00 0.78 -1.83 105.19 110.40 1pg8 n GLY 126 Ca -0.02 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1pg8 n GLY 126 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pg8 n GLU 127 N -1.72 1.68 -1.07 1.61 1.02 -0.64 -4.08 120.64 117.44 1pg8 n GLU 127 Ca 0.04 -1.23 -0.16 0.00 -0.02 0.00 0.00 57.16 55.79 1pg8 n GLU 127 Cb 0.24 -1.47 0.20 0.00 -0.02 0.00 0.00 31.44 30.39 1pg8 n GLU 127 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1pg8 n PHE 128 N 0.42 2.41 -1.10 -0.32 3.01 -0.76 -4.93 117.46 116.19 1pg8 n PHE 128 Ca 0.14 -1.69 0.00 0.00 1.01 0.00 0.00 57.45 56.92 1pg8 n PHE 128 Cb 0.46 -0.78 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 1pg8 n PHE 128 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pg8 n GLY 129 N -1.01 0.48 3.81 1.37 0.00 -1.26 -4.53 105.19 104.05 1pg8 n GLY 129 Ca 0.50 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 1pg8 n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pg8 s VAL 130 N -2.00 5.38 0.14 1.61 1.01 -1.24 -1.59 120.40 123.71 1pg8 s VAL 130 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 1pg8 s VAL 130 Cb 0.00 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 1pg8 s VAL 130 CO 0.00 0.56 0.54 -0.54 0.00 0.00 0.00 175.10 175.65 1pg8 s LYS 131 N -0.54 3.96 -0.05 2.72 1.02 -0.65 -4.47 119.74 121.73 1pg8 s LYS 131 Ca 0.12 0.46 0.05 0.00 0.02 0.00 0.00 55.97 56.62 1pg8 s LYS 131 Cb -0.12 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.25 1pg8 s LYS 131 CO 0.02 0.49 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.22 1pg8 s LEU 132 N -1.96 1.98 -0.01 3.17 1.43 -1.26 -0.90 118.68 121.13 1pg8 s LEU 132 Ca 0.37 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1pg8 s LEU 132 Cb -0.15 -1.11 0.01 0.00 0.03 0.00 0.00 46.19 44.97 1pg8 s LEU 132 CO 0.19 0.19 -0.02 -0.13 0.23 0.00 0.00 176.35 176.82 1pg8 s ARG 133 N -0.07 0.24 0.00 1.70 0.52 -0.90 -4.98 118.95 115.46 1pg8 s ARG 133 Ca -0.03 -0.03 -0.16 0.00 -0.52 0.00 0.00 55.73 54.99 1pg8 s ARG 133 Cb -0.12 -0.30 -0.06 0.00 0.52 0.00 0.00 34.95 34.99 1pg8 s ARG 133 CO 0.02 -0.01 0.45 -1.01 0.02 0.00 0.00 175.30 174.77 1pg8 s HIS 134 N 0.33 3.72 0.11 -0.53 3.76 -1.26 -0.64 115.29 120.78 1pg8 s HIS 134 Ca -0.03 1.05 0.02 0.00 -0.15 0.00 0.00 55.06 55.95 1pg8 s HIS 134 Cb -0.06 -2.36 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 1pg8 s HIS 134 CO -0.01 0.58 -0.07 0.08 -0.85 0.00 0.00 174.74 174.47 1pg8 s VAL 135 N -0.90 0.82 -0.65 -0.90 1.01 -0.52 -4.90 120.40 114.36 1pg8 s VAL 135 Ca 0.25 -1.97 -0.27 0.00 0.00 0.00 0.00 61.98 59.99 1pg8 s VAL 135 Cb -0.17 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.50 1pg8 s VAL 135 CO 0.14 -0.83 1.20 -0.62 0.00 0.00 0.00 175.10 175.00 1pg8 s ASP 136 N -3.08 6.31 0.24 3.32 2.15 -1.26 -2.14 116.67 122.21 1pg8 s ASP 136 Ca 0.14 -0.19 0.18 0.00 0.43 0.00 0.00 52.55 53.10 1pg8 s ASP 136 Cb 0.05 -2.54 0.91 0.00 -0.30 0.00 0.00 42.92 41.03 1pg8 s ASP 136 CO -0.03 -1.61 1.55 0.23 -0.17 0.00 0.00 175.17 175.14 1pg8 n MET 137 N 8.72 0.12 0.11 4.34 2.81 -1.26 -0.41 117.12 131.55 1pg8 n MET 137 Ca 0.05 0.56 0.13 0.00 -1.81 0.00 0.00 57.70 56.63 1pg8 n MET 137 Cb 0.49 -1.84 0.36 0.00 -0.71 0.00 0.00 33.22 31.52 1pg8 n MET 137 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pg8 h ALA 138 N 2.07 0.96 -2.21 3.04 0.00 -1.91 -3.34 119.26 117.87 1pg8 h ALA 138 Ca 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.15 1pg8 h ALA 138 Cb 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.65 1pg8 h ALA 138 CO 0.00 0.00 0.75 0.34 0.00 0.00 0.00 179.25 180.34 1pg8 s ASP 139 N -4.64 7.01 0.52 0.00 3.68 0.45 -4.88 116.67 118.82 1pg8 s ASP 139 Ca 0.10 -2.95 0.17 0.00 2.13 0.00 0.00 52.55 52.00 1pg8 s ASP 139 Cb 0.12 -2.31 1.29 0.00 -1.45 0.00 0.00 42.92 40.57 1pg8 s ASP 139 CO 0.62 -0.63 2.13 -0.07 0.13 0.00 0.00 175.17 177.34 1pg8 h LEU 140 N 8.55 0.00 -0.02 -1.34 3.38 -1.80 -1.37 115.31 122.71 1pg8 h LEU 140 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1pg8 h LEU 140 Cb 0.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1pg8 h LEU 140 CO 1.06 0.00 0.01 1.56 0.09 0.00 0.00 178.44 181.16 1pg8 h GLN 141 N 0.00 0.03 0.00 1.13 4.20 -1.94 -2.07 115.11 116.47 1pg8 h GLN 141 Ca 0.03 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 1pg8 h GLN 141 Cb 0.14 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1pg8 h GLN 141 CO -0.00 0.18 -0.44 0.00 -0.67 0.00 0.00 178.83 177.90 1pg8 h ALA 142 N 0.85 1.05 -0.15 3.87 0.00 -1.63 -1.47 119.26 121.78 1pg8 h ALA 142 Ca 0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1pg8 h ALA 142 Cb 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pg8 h ALA 142 CO -0.00 0.56 -0.09 1.25 0.00 0.00 0.00 179.25 180.96 1pg8 h LEU 143 N 0.00 0.34 -0.65 0.00 5.85 -1.31 -1.75 115.31 117.78 1pg8 h LEU 143 Ca -0.00 -0.43 0.09 0.00 0.84 0.00 0.00 57.88 58.37 1pg8 h LEU 143 Cb 0.91 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 1pg8 h LEU 143 CO 0.06 0.70 0.29 -0.08 -0.34 0.00 0.00 178.44 179.07 1pg8 h GLU 144 N -0.02 0.50 0.00 1.25 4.57 -1.14 -1.75 114.58 117.98 1pg8 h GLU 144 Ca 0.03 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1pg8 h GLU 144 Cb 0.58 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1pg8 h GLU 144 CO 0.03 0.33 -0.31 0.00 -1.18 0.00 0.00 179.01 177.88 1pg8 h ALA 145 N 1.41 1.14 0.00 2.92 0.00 -1.24 -3.03 119.26 120.46 1pg8 h ALA 145 Ca 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pg8 h ALA 145 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pg8 h ALA 145 CO -0.27 0.38 -0.29 0.00 0.00 0.00 0.00 179.25 179.07 1pg8 h ALA 146 N 1.69 0.83 -2.56 0.00 0.00 -0.42 -3.46 119.26 115.34 1pg8 h ALA 146 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1pg8 h ALA 146 Cb 0.71 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.53 1pg8 h ALA 146 CO 0.04 0.00 0.84 -1.64 0.00 0.00 0.00 179.25 178.49 1pg8 s MET 147 N -3.18 4.25 0.48 0.00 1.00 -1.01 -5.04 119.30 115.81 1pg8 s MET 147 Ca 0.07 2.24 0.04 0.00 0.00 0.00 0.00 55.69 58.05 1pg8 s MET 147 Cb 0.10 -3.25 0.04 0.00 0.00 0.00 0.00 34.83 31.72 1pg8 s MET 147 CO 0.67 -0.56 0.37 0.25 0.00 0.00 0.00 175.02 175.75 1pg8 n THR 148 N 4.08 0.00 0.41 2.05 -2.24 -1.26 -5.02 114.28 112.30 1pg8 n THR 148 Ca 0.13 -1.91 0.12 0.00 -2.27 0.00 0.00 64.05 60.12 1pg8 n THR 148 Cb 0.40 -0.09 0.11 0.00 -2.10 0.00 0.00 70.33 68.65 1pg8 n THR 148 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1pg8 h PRO 149 N 0.00 0.00 0.00 -0.78 0.14 -1.96 -3.05 132.00 126.35 1pg8 h PRO 149 Ca -0.31 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.83 1pg8 h PRO 149 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.26 1pg8 h PRO 149 CO 0.48 0.00 0.00 0.00 0.14 0.00 0.00 178.00 178.62 1pg8 h ALA 150 N 2.34 1.00 -1.86 -0.56 0.00 -1.96 -3.43 119.26 114.79 1pg8 h ALA 150 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1pg8 h ALA 150 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1pg8 h ALA 150 CO 0.00 0.00 1.34 0.99 0.00 0.00 0.00 179.25 181.58 1pg8 s THR 151 N -3.57 3.36 -0.21 0.00 2.01 -1.16 -1.07 115.64 115.00 1pg8 s THR 151 Ca 0.00 0.36 0.11 0.00 0.31 0.00 0.00 61.69 62.47 1pg8 s THR 151 Cb 0.09 -3.52 -0.22 0.00 0.01 0.00 0.00 72.50 68.86 1pg8 s THR 151 CO 0.35 -0.35 0.00 -1.14 -0.69 0.00 0.00 174.62 172.79 1pg8 n ARG 152 N 8.56 0.67 -3.84 4.92 3.00 -0.34 -4.59 116.66 125.05 1pg8 n ARG 152 Ca 0.25 0.07 -0.12 0.00 -0.00 0.00 0.00 57.85 58.05 1pg8 n ARG 152 Cb 0.47 -1.54 -0.14 0.00 0.00 0.00 0.00 32.46 31.25 1pg8 n ARG 152 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1pg8 s VAL 153 N -2.51 -0.01 -0.16 5.15 1.01 -1.20 -1.55 120.40 121.12 1pg8 s VAL 153 Ca -0.19 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1pg8 s VAL 153 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.34 1pg8 s VAL 153 CO 0.74 0.01 -0.12 -0.63 0.00 0.00 0.00 175.10 175.10 1pg8 s ILE 154 N 0.19 2.91 -0.08 2.22 1.01 0.51 -0.92 121.20 127.04 1pg8 s ILE 154 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1pg8 s ILE 154 Cb -0.02 -2.25 0.01 0.00 0.01 0.00 0.00 42.46 40.21 1pg8 s ILE 154 CO -0.01 0.50 -0.12 -0.47 0.00 0.00 0.00 174.94 174.84 1pg8 s TYR 155 N 0.85 1.54 0.22 3.97 5.04 -0.09 -0.10 117.35 128.80 1pg8 s TYR 155 Ca -0.04 -0.62 -0.17 0.00 -2.44 0.00 0.00 57.07 53.81 1pg8 s TYR 155 Cb -0.15 -1.15 0.02 0.00 0.35 0.00 0.00 41.96 41.03 1pg8 s TYR 155 CO -0.00 -0.34 0.53 -0.59 -1.34 0.00 0.00 175.55 173.81 1pg8 s PHE 156 N 0.85 0.01 -0.02 4.97 -0.71 -0.98 -1.99 117.98 120.11 1pg8 s PHE 156 Ca -0.11 -0.38 -0.02 0.00 -1.04 0.00 0.00 56.93 55.39 1pg8 s PHE 156 Cb -0.15 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 1pg8 s PHE 156 CO 0.01 -0.98 0.10 -1.21 -1.34 0.00 0.00 175.22 171.81 1pg8 s GLU 157 N -3.92 3.17 -0.20 1.99 2.02 -1.26 -1.68 118.70 118.82 1pg8 s GLU 157 Ca 0.13 -0.42 -0.05 0.00 0.02 0.00 0.00 54.97 54.66 1pg8 s GLU 157 Cb -0.02 -2.93 0.10 0.00 0.10 0.00 0.00 34.13 31.38 1pg8 s GLU 157 CO 0.02 0.67 0.36 0.45 0.02 0.00 0.00 175.26 176.77 1pg8 s SER 158 N -1.66 0.15 0.74 -0.19 0.15 -1.25 -3.78 113.70 107.87 1pg8 s SER 158 Ca 0.22 0.56 -0.13 0.00 0.70 0.00 0.00 55.95 57.31 1pg8 s SER 158 Cb -0.12 1.07 0.04 0.00 -1.71 0.00 0.00 66.02 65.30 1pg8 s SER 158 CO 0.13 -0.26 1.14 -2.84 1.20 0.00 0.00 173.24 172.61 1pg8 s PRO 159 N 2.53 2.25 0.11 5.44 0.02 -1.26 -4.80 135.00 139.29 1pg8 s PRO 159 Ca 0.04 1.46 -0.02 0.00 0.02 0.00 0.00 61.00 62.51 1pg8 s PRO 159 Cb -0.13 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 1pg8 s PRO 159 CO -0.13 -1.69 0.30 0.00 -0.33 0.00 0.00 177.00 175.15 1pg8 s ALA 160 N -2.41 3.90 0.05 -1.55 0.00 -0.55 -4.89 121.76 116.32 1pg8 s ALA 160 Ca 0.68 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 1pg8 s ALA 160 Cb -0.22 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1pg8 s ALA 160 CO 0.48 0.71 0.62 -1.71 0.00 0.00 0.00 175.76 175.86 1pg8 n ASN 161 N 0.06 -0.31 0.00 0.00 5.15 -1.26 -2.16 115.26 116.74 1pg8 n ASN 161 Ca -0.04 0.69 0.00 0.00 -0.60 0.00 0.00 54.58 54.63 1pg8 n ASN 161 Cb 0.52 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 1pg8 n ASN 161 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1pg8 n PRO 162 N -3.81 0.00 -0.43 1.20 -0.04 -1.26 -4.47 135.00 126.19 1pg8 n PRO 162 Ca 0.01 0.07 0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1pg8 n PRO 162 Cb 0.08 -0.61 0.24 0.00 -0.04 0.00 0.00 33.50 33.16 1pg8 n PRO 162 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pg8 n ASN 163 N -0.72 3.40 -1.27 3.54 4.13 -1.26 -4.83 115.26 118.25 1pg8 n ASN 163 Ca 0.00 -2.33 -0.11 0.00 1.68 0.00 0.00 54.58 53.81 1pg8 n ASN 163 Cb 0.00 -0.49 -0.01 0.00 -1.54 0.00 0.00 39.78 37.75 1pg8 n ASN 163 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1pg8 n MET 164 N 0.62 -0.89 -2.17 3.52 2.81 -0.92 -4.85 117.12 115.24 1pg8 n MET 164 Ca 0.17 0.55 -0.42 0.00 -1.81 0.00 0.00 57.70 56.19 1pg8 n MET 164 Cb 0.66 -4.67 -0.03 0.00 -0.71 0.00 0.00 33.22 28.47 1pg8 n MET 164 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1pg8 s HIS 165 N -2.56 3.07 0.34 2.03 5.04 -1.25 -4.42 115.29 117.54 1pg8 s HIS 165 Ca 0.00 0.87 -0.04 0.00 -1.54 0.00 0.00 55.06 54.35 1pg8 s HIS 165 Cb 0.00 -3.70 -0.05 0.00 0.04 0.00 0.00 32.58 28.88 1pg8 s HIS 165 CO 0.00 -2.51 0.60 -1.64 -2.34 0.00 0.00 174.74 168.85 1pg8 s MET 166 N 1.60 3.59 0.11 2.88 -1.94 -1.26 -1.47 119.30 122.81 1pg8 s MET 166 Ca 0.65 -0.02 0.10 0.00 -1.71 0.00 0.00 55.69 54.71 1pg8 s MET 166 Cb -0.35 -2.59 -0.04 0.00 2.01 0.00 0.00 34.83 33.85 1pg8 s MET 166 CO 0.29 0.12 -0.25 0.00 -0.01 0.00 0.00 175.02 175.17 1pg8 s ALA 167 N -2.25 2.43 -0.78 3.03 0.00 -1.26 -4.26 121.76 118.67 1pg8 s ALA 167 Ca 0.44 -1.41 -0.26 0.00 0.00 0.00 0.00 51.96 50.73 1pg8 s ALA 167 Cb -0.10 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.59 1pg8 s ALA 167 CO 0.34 0.55 1.32 0.34 0.00 0.00 0.00 175.76 178.31 1pg8 s ASP 168 N -1.93 6.18 0.26 0.00 -1.08 -1.25 -4.88 116.67 113.97 1pg8 s ASP 168 Ca 0.14 -0.57 -0.03 0.00 -0.52 0.00 0.00 52.55 51.58 1pg8 s ASP 168 Cb -0.10 -2.56 0.33 0.00 -1.46 0.00 0.00 42.92 39.13 1pg8 s ASP 168 CO 0.06 -1.81 1.80 0.40 0.52 0.00 0.00 175.17 176.14 1pg8 h ILE 169 N 6.16 1.24 0.00 4.11 2.04 -1.93 -0.94 117.51 128.20 1pg8 h ILE 169 Ca -0.21 -0.86 -0.23 0.00 1.00 0.00 0.00 64.86 64.55 1pg8 h ILE 169 Cb 1.05 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1pg8 h ILE 169 CO 1.30 0.32 -0.96 0.00 0.00 0.00 0.00 178.15 178.82 1pg8 h ALA 170 N 1.28 0.34 -0.17 1.87 0.00 -1.90 0.34 119.26 121.02 1pg8 h ALA 170 Ca 0.19 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1pg8 h ALA 170 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1pg8 h ALA 170 CO 0.00 0.81 -0.32 0.78 0.00 0.00 0.00 179.25 180.52 1pg8 h GLY 171 N 1.19 0.38 1.02 0.00 0.00 -1.79 0.46 103.07 104.32 1pg8 h GLY 171 Ca -0.08 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 1pg8 h GLY 171 CO 0.17 0.30 -0.28 -2.08 0.00 0.00 0.00 176.54 174.64 1pg8 h VAL 172 N 0.30 1.29 -0.67 4.60 2.07 -1.03 -3.02 116.25 119.79 1pg8 h VAL 172 Ca 0.04 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.14 1pg8 h VAL 172 Cb 0.72 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 1pg8 h VAL 172 CO 0.05 0.47 0.43 0.00 0.02 0.00 0.00 177.57 178.55 1pg8 h ALA 173 N 0.75 0.87 -0.66 1.67 0.00 -0.57 -1.20 119.26 120.11 1pg8 h ALA 173 Ca 0.06 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1pg8 h ALA 173 Cb 0.85 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1pg8 h ALA 173 CO 0.07 0.22 0.39 -0.22 0.00 0.00 0.00 179.25 179.71 1pg8 h LYS 174 N 0.86 0.71 -0.18 0.00 3.64 -0.87 0.82 116.57 121.55 1pg8 h LYS 174 Ca 0.26 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.44 1pg8 h LYS 174 Cb -0.03 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1pg8 h LYS 174 CO -0.09 0.47 -0.56 0.82 -2.27 0.00 0.00 179.45 177.82 1pg8 h ILE 175 N 0.73 1.33 -0.41 2.00 2.04 -1.35 -2.46 117.51 119.39 1pg8 h ILE 175 Ca 0.29 -1.82 -0.07 0.00 1.00 0.00 0.00 64.86 64.26 1pg8 h ILE 175 Cb 0.12 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1pg8 h ILE 175 CO -0.15 0.56 -0.01 0.00 0.00 0.00 0.00 178.15 178.56 1pg8 h ALA 176 N 0.97 0.55 -0.52 1.87 0.00 -0.33 -2.63 119.26 119.17 1pg8 h ALA 176 Ca 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.74 1pg8 h ALA 176 Cb 1.11 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1pg8 h ALA 176 CO 0.11 0.34 0.12 0.00 0.00 0.00 0.00 179.25 179.81 1pg8 h ARG 177 N 0.56 0.25 0.32 0.00 2.47 -0.72 0.24 114.38 117.50 1pg8 h ARG 177 Ca 0.11 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1pg8 h ARG 177 Cb 0.49 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 1pg8 h ARG 177 CO 0.02 0.17 -0.42 0.87 0.56 0.00 0.00 179.97 181.17 1pg8 h LYS 178 N 0.26 -0.74 -0.00 0.04 1.57 -1.32 -3.18 116.57 113.19 1pg8 h LYS 178 Ca 0.26 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1pg8 h LYS 178 Cb 0.35 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1pg8 h LYS 178 CO -0.33 -0.49 -0.05 0.72 -0.57 0.00 0.00 179.45 178.73 1pg8 n HIS 179 N -4.91 0.00 -2.17 -1.35 8.25 -1.00 -4.94 115.22 109.10 1pg8 n HIS 179 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1pg8 n HIS 179 Cb 0.37 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1pg8 n HIS 179 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pg8 n GLY 180 N 1.24 0.89 3.80 -1.41 0.00 0.66 -4.93 105.19 105.43 1pg8 n GLY 180 Ca 0.16 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 1pg8 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg8 s ALA 181 N -2.75 3.53 -0.18 4.61 0.00 -0.09 -4.93 121.76 121.95 1pg8 s ALA 181 Ca 0.00 -1.36 -0.16 0.00 0.00 0.00 0.00 51.96 50.43 1pg8 s ALA 181 Cb 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1pg8 s ALA 181 CO 0.00 0.35 0.40 0.99 0.00 0.00 0.00 175.76 177.50 1pg8 s THR 182 N -2.00 5.21 -0.27 0.00 2.01 -0.60 -4.52 115.64 115.46 1pg8 s THR 182 Ca 0.32 0.75 -0.11 0.00 0.31 0.00 0.00 61.69 62.95 1pg8 s THR 182 Cb -0.09 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1pg8 s THR 182 CO 0.24 0.28 0.18 -0.69 -0.69 0.00 0.00 174.62 173.94 1pg8 s VAL 183 N 1.07 5.31 -0.19 3.82 1.01 -1.26 -0.36 120.40 129.79 1pg8 s VAL 183 Ca 0.20 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1pg8 s VAL 183 Cb -0.15 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1pg8 s VAL 183 CO 0.08 0.26 -0.12 -0.69 0.00 0.00 0.00 175.10 174.63 1pg8 s VAL 184 N 1.66 2.79 -0.10 2.92 1.01 0.86 -1.50 120.40 128.05 1pg8 s VAL 184 Ca 0.07 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1pg8 s VAL 184 Cb -0.16 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1pg8 s VAL 184 CO 0.10 0.48 -0.17 -0.69 0.00 0.00 0.00 175.10 174.82 1pg8 s VAL 185 N 1.27 2.69 -0.65 2.92 1.01 0.97 -2.32 120.40 126.30 1pg8 s VAL 185 Ca 0.03 -0.81 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 1pg8 s VAL 185 Cb -0.14 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.20 1pg8 s VAL 185 CO -0.06 0.55 1.14 -0.62 0.00 0.00 0.00 175.10 176.11 1pg8 s ASP 186 N 0.06 6.27 -0.35 3.32 -1.08 -0.68 -0.23 116.67 124.00 1pg8 s ASP 186 Ca -0.07 -0.38 0.06 0.00 -0.52 0.00 0.00 52.55 51.64 1pg8 s ASP 186 Cb -0.15 -2.51 0.64 0.00 -1.46 0.00 0.00 42.92 39.44 1pg8 s ASP 186 CO 0.05 -1.56 1.76 -3.20 0.52 0.00 0.00 175.17 172.75 1pg8 n ASN 187 N 8.46 4.14 -0.07 -0.34 4.05 -0.43 -3.76 115.26 127.32 1pg8 n ASN 187 Ca 0.03 -3.26 -0.08 0.00 0.45 0.00 0.00 54.58 51.72 1pg8 n ASN 187 Cb 0.48 -0.76 -0.01 0.00 1.23 0.00 0.00 39.78 40.72 1pg8 n ASN 187 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 1pg8 h THR 188 N 1.69 0.92 -0.48 -0.44 2.02 -1.91 -1.83 112.91 112.88 1pg8 h THR 188 Ca 0.40 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.41 1pg8 h THR 188 Cb 2.43 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.53 1pg8 h THR 188 CO 0.83 0.04 -0.10 1.88 0.37 0.00 0.00 175.52 178.54 1pg8 h TYR 189 N 0.20 1.02 0.13 3.16 -1.99 -1.90 -3.14 116.97 114.44 1pg8 h TYR 189 Ca 0.12 -0.21 -0.32 0.00 2.00 0.00 0.00 58.73 60.32 1pg8 h TYR 189 Cb 0.09 -0.25 -0.00 0.00 2.00 0.00 0.00 36.73 38.57 1pg8 h TYR 189 CO -0.13 0.98 -1.59 0.00 -0.00 0.00 0.00 178.16 177.43 1pg8 n THR 191 N -3.47 -0.36 0.31 0.00 -2.24 -0.70 -3.66 114.28 104.17 1pg8 n THR 191 Ca -0.18 0.58 0.19 0.00 -2.27 0.00 0.00 64.05 62.37 1pg8 n THR 191 Cb 1.05 -0.99 1.01 0.00 -2.10 0.00 0.00 70.33 69.30 1pg8 n THR 191 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1pg8 h PRO 192 N -1.16 0.00 0.00 -0.78 0.13 -1.83 -2.11 132.00 126.24 1pg8 h PRO 192 Ca -0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1pg8 h PRO 192 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1pg8 h PRO 192 CO 0.05 0.02 -0.02 -0.92 -0.23 0.00 0.00 178.00 176.90 1pg8 h TYR 193 N 0.00 0.00 0.00 1.56 -0.00 -1.86 -3.35 116.97 113.32 1pg8 h TYR 193 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.62 1pg8 h TYR 193 Cb 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.84 1pg8 h TYR 193 CO 0.00 0.02 -1.48 1.28 -0.00 0.00 0.00 178.16 177.98 1pg8 n LEU 194 N -4.38 0.00 -3.81 2.82 4.77 -0.84 -4.84 117.00 110.73 1pg8 n LEU 194 Ca -0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 1pg8 n LEU 194 Cb 0.11 0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 1pg8 n LEU 194 CO 0.33 0.14 -0.23 -1.58 -1.33 0.00 0.00 177.39 174.72 1pg8 s GLN 195 N -2.26 0.13 -0.53 3.23 0.74 -0.95 -1.41 119.66 118.60 1pg8 s GLN 195 Ca -0.04 0.20 0.04 0.00 0.05 0.00 0.00 55.36 55.61 1pg8 s GLN 195 Cb 0.03 0.02 0.16 0.00 1.10 0.00 0.00 33.01 34.31 1pg8 s GLN 195 CO 0.31 -0.05 0.35 1.03 -0.55 0.00 0.00 175.29 176.39 1pg8 s ARG 196 N 0.28 1.64 0.60 1.67 0.52 -1.26 -3.81 118.95 118.59 1pg8 s ARG 196 Ca -0.02 -2.54 0.30 0.00 -0.52 0.00 0.00 55.73 52.96 1pg8 s ARG 196 Cb -0.03 -2.54 1.69 0.00 0.52 0.00 0.00 34.95 34.59 1pg8 s ARG 196 CO -0.01 -1.26 2.08 -1.35 0.02 0.00 0.00 175.30 174.78 1pg8 h PRO 197 N 5.98 0.00 0.00 3.54 0.11 -1.95 -1.27 132.00 138.41 1pg8 h PRO 197 Ca 0.11 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 1pg8 h PRO 197 Cb 0.86 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1pg8 h PRO 197 CO 0.55 0.00 -0.48 -0.07 -0.21 0.00 0.00 178.00 177.79 1pg8 h LEU 198 N 0.00 0.00 0.00 2.35 3.38 -1.82 -1.77 115.31 117.45 1pg8 h LEU 198 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1pg8 h LEU 198 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1pg8 h LEU 198 CO -0.00 0.48 0.00 -0.62 0.09 0.00 0.00 178.44 178.39 1pg8 n GLU 199 N -3.79 0.41 -0.08 1.13 1.02 -0.48 -2.99 120.64 115.86 1pg8 n GLU 199 Ca -0.01 0.03 0.03 0.00 -0.02 0.00 0.00 57.16 57.19 1pg8 n GLU 199 Cb 0.53 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.53 1pg8 n GLU 199 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1pg8 n LEU 200 N -1.27 2.32 0.00 -4.62 4.77 -0.86 -5.00 117.00 112.34 1pg8 n LEU 200 Ca 0.13 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.36 1pg8 n LEU 200 Cb 0.21 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1pg8 n LEU 200 CO 0.21 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1pg8 n GLY 201 N 0.19 1.67 3.73 -0.72 0.00 -1.06 -3.57 105.19 105.42 1pg8 n GLY 201 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1pg8 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg8 s ALA 202 N -2.09 2.28 -0.12 4.61 0.00 -0.72 -4.90 121.76 120.82 1pg8 s ALA 202 Ca 0.00 1.06 -0.09 0.00 0.00 0.00 0.00 51.96 52.93 1pg8 s ALA 202 Cb 0.00 -3.51 -0.26 0.00 0.00 0.00 0.00 23.12 19.35 1pg8 s ALA 202 CO 0.00 -1.68 0.40 -0.44 0.00 0.00 0.00 175.76 174.04 1pg8 h ASP 203 N 0.22 0.40 -4.08 0.00 3.32 -1.58 -3.40 116.42 111.30 1pg8 h ASP 203 Ca -0.50 -0.91 -0.41 0.00 0.02 0.00 0.00 57.03 55.24 1pg8 h ASP 203 Cb 1.32 -0.13 -0.29 0.00 0.22 0.00 0.00 39.33 40.45 1pg8 h ASP 203 CO 0.52 1.80 -0.79 -0.76 -1.72 0.00 0.00 179.24 178.30 1pg8 s LEU 204 N -7.19 2.02 -0.10 1.55 1.43 -0.88 -4.15 118.68 111.36 1pg8 s LEU 204 Ca -0.22 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1pg8 s LEU 204 Cb 0.06 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 1pg8 s LEU 204 CO 0.76 0.12 -0.16 -0.69 0.23 0.00 0.00 176.35 176.61 1pg8 s VAL 205 N -0.25 2.82 0.19 -1.59 1.01 -0.46 -0.02 120.40 122.09 1pg8 s VAL 205 Ca 0.04 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1pg8 s VAL 205 Cb -0.04 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1pg8 s VAL 205 CO -0.00 0.55 -0.13 0.68 0.00 0.00 0.00 175.10 176.20 1pg8 s VAL 206 N 0.08 3.01 -0.00 2.92 -7.23 0.68 -1.46 120.40 118.41 1pg8 s VAL 206 Ca -0.07 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1pg8 s VAL 206 Cb -0.15 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1pg8 s VAL 206 CO 0.05 -0.12 -0.01 -1.00 -0.31 0.00 0.00 175.10 173.71 1pg8 s HIS 207 N -1.73 0.11 -0.91 2.82 3.76 0.35 -1.31 115.29 118.38 1pg8 s HIS 207 Ca 0.24 -0.00 -0.25 0.00 -0.15 0.00 0.00 55.06 54.90 1pg8 s HIS 207 Cb -0.08 -0.10 0.04 0.00 1.11 0.00 0.00 32.58 33.54 1pg8 s HIS 207 CO 0.14 -0.02 1.42 0.45 -0.85 0.00 0.00 174.74 175.88 1pg8 s SER 208 N 0.14 6.30 0.23 1.40 0.15 -1.26 -1.95 113.70 118.71 1pg8 s SER 208 Ca -0.01 -1.04 0.21 0.00 0.70 0.00 0.00 55.95 55.81 1pg8 s SER 208 Cb -0.02 -2.57 0.93 0.00 -1.71 0.00 0.00 66.02 62.65 1pg8 s SER 208 CO -0.00 -1.69 1.64 0.00 1.20 0.00 0.00 173.24 174.38 1pg8 n ALA 209 N 9.33 1.50 -0.19 5.45 0.00 0.66 -1.71 120.51 135.55 1pg8 n ALA 209 Ca 0.23 0.09 0.30 0.00 0.00 0.00 0.00 53.44 54.06 1pg8 n ALA 209 Cb 0.50 -1.34 0.71 0.00 0.00 0.00 0.00 19.45 19.32 1pg8 n ALA 209 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1pg8 h THR 210 N 0.00 0.35 0.00 0.00 2.02 -1.55 -2.23 112.91 111.50 1pg8 h THR 210 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1pg8 h THR 210 Cb 0.26 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1pg8 h THR 210 CO 0.00 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.18 1pg8 n LYS 211 N -3.93 0.00 -0.26 6.66 4.76 -0.69 -4.63 118.16 120.06 1pg8 n LYS 211 Ca 0.20 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.80 1pg8 n LYS 211 Cb 1.10 0.00 0.45 0.00 -1.84 0.00 0.00 35.03 34.74 1pg8 n LYS 211 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1pg8 h TYR 212 N 0.00 0.68 -0.11 2.13 -1.99 -1.75 -0.98 116.97 114.95 1pg8 h TYR 212 Ca 0.00 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 1pg8 h TYR 212 Cb 0.00 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.52 1pg8 h TYR 212 CO 0.00 0.19 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.23 1pg8 h LEU 213 N 0.52 0.24 -0.26 3.88 3.38 -1.84 -2.67 115.31 118.56 1pg8 h LEU 213 Ca 0.48 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1pg8 h LEU 213 Cb 1.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1pg8 h LEU 213 CO -0.21 0.61 0.07 -1.28 0.09 0.00 0.00 178.44 177.72 1pg8 h SER 214 N -0.13 0.39 0.00 -0.43 0.87 -1.26 -3.16 113.55 109.83 1pg8 h SER 214 Ca 0.02 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1pg8 h SER 214 Cb 0.52 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1pg8 h SER 214 CO 0.02 0.50 0.00 0.61 -0.53 0.00 0.00 176.83 177.43 1pg8 n GLY 215 N -0.59 2.93 0.00 5.77 0.00 -0.39 -4.36 105.19 108.55 1pg8 n GLY 215 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1pg8 n GLY 215 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pg8 n HIS 216 N -2.00 0.00 -1.13 1.61 8.25 -1.26 -1.87 115.22 118.82 1pg8 n HIS 216 Ca 0.00 -0.19 -0.04 0.00 -0.26 0.00 0.00 57.72 57.22 1pg8 n HIS 216 Cb 0.00 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.07 1pg8 n HIS 216 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pg8 n GLY 217 N -0.19 0.71 0.19 -1.41 0.00 -1.26 -4.85 105.19 98.37 1pg8 n GLY 217 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 46.02 45.35 1pg8 n GLY 217 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pg8 n ASP 218 N 0.93 1.49 -4.19 1.61 5.68 -1.26 -5.01 116.55 115.79 1pg8 n ASP 218 Ca -0.04 -1.28 -0.13 0.00 -0.50 0.00 0.00 54.79 52.84 1pg8 n ASP 218 Cb 0.16 -0.01 -0.10 0.00 -1.14 0.00 0.00 41.12 40.03 1pg8 n ASP 218 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1pg8 s ILE 219 N -0.44 0.88 -0.17 2.12 -4.36 -1.26 -5.11 121.20 112.86 1pg8 s ILE 219 Ca 0.06 -1.86 -0.05 0.00 -0.26 0.00 0.00 60.65 58.54 1pg8 s ILE 219 Cb 0.04 -1.60 -0.03 0.00 1.25 0.00 0.00 42.46 42.12 1pg8 s ILE 219 CO 0.06 -0.74 -0.01 -0.89 0.24 0.00 0.00 174.94 173.60 1pg8 s THR 220 N -3.15 4.08 0.04 8.37 2.01 -1.26 -4.49 115.64 121.23 1pg8 s THR 220 Ca 0.11 -0.29 -0.24 0.00 0.31 0.00 0.00 61.69 61.58 1pg8 s THR 220 Cb 0.02 -2.81 0.06 0.00 0.01 0.00 0.00 72.50 69.78 1pg8 s THR 220 CO -0.02 0.47 0.56 0.00 -0.69 0.00 0.00 174.62 174.94 1pg8 s ALA 221 N 0.49 -1.44 0.11 7.40 0.00 -1.23 -4.48 121.76 122.62 1pg8 s ALA 221 Ca -0.02 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.71 1pg8 s ALA 221 Cb -0.14 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1pg8 s ALA 221 CO 0.02 -0.51 -0.11 0.20 0.00 0.00 0.00 175.76 175.37 1pg8 s GLY 222 N -1.90 0.94 -0.00 0.00 0.00 0.24 -0.25 107.32 106.35 1pg8 s GLY 222 Ca -0.06 -1.28 0.03 0.00 0.00 0.00 0.00 44.72 43.41 1pg8 s GLY 222 CO -0.01 -1.35 -0.09 -0.42 0.00 0.00 0.00 173.10 171.23 1pg8 s ILE 223 N -2.59 0.72 -0.07 0.90 -1.09 -0.82 -0.76 121.20 117.49 1pg8 s ILE 223 Ca 0.09 -0.42 0.05 0.00 -2.23 0.00 0.00 60.65 58.14 1pg8 s ILE 223 Cb -0.02 -0.61 -0.01 0.00 -1.58 0.00 0.00 42.46 40.25 1pg8 s ILE 223 CO 0.01 0.18 -0.24 -0.69 -1.23 0.00 0.00 174.94 172.96 1pg8 s VAL 224 N -0.26 2.09 -0.03 2.92 1.01 -0.42 -0.49 120.40 125.23 1pg8 s VAL 224 Ca 0.03 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1pg8 s VAL 224 Cb -0.04 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1pg8 s VAL 224 CO -0.00 0.57 -0.11 -0.69 0.00 0.00 0.00 175.10 174.86 1pg8 s VAL 225 N -0.00 0.94 0.00 2.92 1.01 -0.53 -0.31 120.40 124.42 1pg8 s VAL 225 Ca -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1pg8 s VAL 225 Cb -0.15 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1pg8 s VAL 225 CO 0.05 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1pg8 n GLY 226 N 3.20 1.69 3.79 4.51 0.00 -0.67 -1.36 105.19 116.35 1pg8 n GLY 226 Ca -0.18 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 1pg8 n GLY 226 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pg8 s SER 227 N 2.00 4.84 0.15 1.61 1.04 -1.26 -0.70 113.70 121.38 1pg8 s SER 227 Ca 0.00 1.77 -0.16 0.00 0.48 0.00 0.00 55.95 58.03 1pg8 s SER 227 Cb 0.00 -2.51 0.03 0.00 0.10 0.00 0.00 66.02 63.64 1pg8 s SER 227 CO 0.00 -1.81 1.78 1.56 0.98 0.00 0.00 173.24 175.75 1pg8 h GLN 228 N -0.91 0.38 -0.11 4.02 1.08 -1.91 -1.50 115.11 116.16 1pg8 h GLN 228 Ca -0.44 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 56.78 1pg8 h GLN 228 Cb 1.22 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 28.51 1pg8 h GLN 228 CO 0.53 0.25 -0.35 0.00 -0.95 0.00 0.00 178.83 178.32 1pg8 h ALA 229 N 1.18 -0.45 -0.36 3.87 0.00 -1.99 0.23 119.26 121.74 1pg8 h ALA 229 Ca 0.15 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1pg8 h ALA 229 Cb 0.04 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1pg8 h ALA 229 CO -0.09 -0.84 -0.01 -0.07 0.00 0.00 0.00 179.25 178.24 1pg8 h LEU 230 N -0.44 0.63 -0.34 0.00 3.38 -1.93 -3.07 115.31 113.53 1pg8 h LEU 230 Ca 0.08 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 1pg8 h LEU 230 Cb 0.57 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1pg8 h LEU 230 CO -0.35 0.79 -0.35 0.58 0.09 0.00 0.00 178.44 179.21 1pg8 h VAL 231 N 0.45 1.28 -0.96 1.22 2.07 -1.05 -1.73 116.25 117.52 1pg8 h VAL 231 Ca 0.10 -1.52 0.24 0.00 0.82 0.00 0.00 66.70 66.34 1pg8 h VAL 231 Cb 0.48 1.47 -0.13 0.00 -1.52 0.00 0.00 31.29 31.59 1pg8 h VAL 231 CO 0.02 0.50 0.52 0.44 0.02 0.00 0.00 177.57 179.07 1pg8 h ASP 232 N 0.63 0.53 -0.27 0.57 3.45 -0.59 0.18 116.42 120.92 1pg8 h ASP 232 Ca 0.05 0.15 -0.12 0.00 0.43 0.00 0.00 57.03 57.54 1pg8 h ASP 232 Cb 0.93 0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.78 1pg8 h ASP 232 CO 0.09 0.04 -0.31 0.03 -1.57 0.00 0.00 179.24 177.52 1pg8 h ARG 233 N 0.49 0.68 -0.23 3.56 3.08 -1.33 -2.04 114.38 118.59 1pg8 h ARG 233 Ca 0.62 -0.37 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 1pg8 h ARG 233 Cb 1.21 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1pg8 h ARG 233 CO -0.51 0.99 -0.16 0.82 -1.07 0.00 0.00 179.97 180.04 1pg8 h ILE 234 N 0.41 1.23 0.20 2.04 2.04 -0.36 -0.78 117.51 122.29 1pg8 h ILE 234 Ca 0.04 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1pg8 h ILE 234 Cb 0.88 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1pg8 h ILE 234 CO 0.07 0.32 -0.10 -0.09 0.00 0.00 0.00 178.15 178.36 1pg8 h ARG 235 N 0.36 -0.26 0.00 2.37 2.43 -0.61 -0.06 114.38 118.61 1pg8 h ARG 235 Ca 0.07 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1pg8 h ARG 235 Cb 0.50 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1pg8 h ARG 235 CO 0.03 -0.00 -0.39 1.28 -1.51 0.00 0.00 179.97 179.39 1pg8 n LEU 236 N -5.10 0.49 0.06 3.80 4.32 -0.78 -1.77 117.00 118.02 1pg8 n LEU 236 Ca -0.09 0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1pg8 n LEU 236 Cb 0.20 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1pg8 n LEU 236 CO 0.33 0.01 0.00 0.00 -1.22 0.00 0.00 177.39 176.51 1pg8 n GLN 237 N -1.77 0.00 -0.15 3.23 6.02 -0.32 -4.44 117.38 119.94 1pg8 n GLN 237 Ca 0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.99 1pg8 n GLN 237 Cb 0.38 -0.39 0.04 0.00 1.02 0.00 0.00 30.24 31.29 1pg8 n GLN 237 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1pg8 h GLY 238 N 0.00 0.65 0.00 1.08 0.00 -1.48 -1.82 103.07 101.51 1pg8 h GLY 238 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1pg8 h GLY 238 CO 0.00 0.09 -0.38 -2.00 0.00 0.00 0.00 176.54 174.25 1pg8 h LEU 239 N 0.44 0.00 -0.34 3.11 6.46 -1.05 -0.89 115.31 123.04 1pg8 h LEU 239 Ca 0.21 -0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.99 1pg8 h LEU 239 Cb 0.14 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.01 1pg8 h LEU 239 CO -0.17 0.72 -0.03 0.50 -0.62 0.00 0.00 178.44 178.84 1pg8 h LYS 240 N -1.00 0.05 0.00 1.25 3.11 -1.48 -1.11 116.57 117.39 1pg8 h LYS 240 Ca -0.02 -0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.50 1pg8 h LYS 240 Cb 0.40 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.56 1pg8 h LYS 240 CO -0.01 0.04 -2.22 -0.25 -2.81 0.00 0.00 179.45 174.19 1pg8 n ASP 241 N -5.22 2.32 -0.01 4.20 8.00 -1.04 -4.64 116.55 120.17 1pg8 n ASP 241 Ca 0.01 -0.11 0.10 0.00 0.71 0.00 0.00 54.79 55.50 1pg8 n ASP 241 Cb 0.19 -0.34 -0.16 0.00 -0.02 0.00 0.00 41.12 40.79 1pg8 n ASP 241 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1pg8 n MET 242 N -3.14 0.60 0.00 -1.24 2.81 -0.71 -4.72 117.12 110.72 1pg8 n MET 242 Ca -0.38 -0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.34 1pg8 n MET 242 Cb 0.90 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 1pg8 n MET 242 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1pg8 n THR 243 N -2.14 0.00 -1.25 2.03 -2.24 -0.35 -5.00 114.28 105.33 1pg8 n THR 243 Ca -0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 1pg8 n THR 243 Cb 0.52 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 1pg8 n THR 243 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pg8 n GLY 244 N 2.11 0.93 2.79 3.38 0.00 -0.42 -4.85 105.19 109.13 1pg8 n GLY 244 Ca 0.00 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1pg8 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg8 n ALA 245 N 1.16 4.64 -2.70 4.61 0.00 -1.26 -4.94 120.51 122.02 1pg8 n ALA 245 Ca -0.09 -3.01 -0.42 0.00 0.00 0.00 0.00 53.44 49.92 1pg8 n ALA 245 Cb 0.47 -3.39 -0.03 0.00 0.00 0.00 0.00 19.45 16.50 1pg8 n ALA 245 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pg8 s VAL 246 N 3.85 4.85 0.13 0.00 1.01 -1.26 -0.75 120.40 128.23 1pg8 s VAL 246 Ca 0.51 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 64.18 1pg8 s VAL 246 Cb 0.13 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1pg8 s VAL 246 CO 0.01 0.10 0.98 -0.22 0.00 0.00 0.00 175.10 175.98 1pg8 s LEU 247 N 1.41 4.51 0.22 3.92 0.20 -1.26 -4.28 118.68 123.40 1pg8 s LEU 247 Ca 0.49 1.85 -0.30 0.00 0.69 0.00 0.00 54.13 56.86 1pg8 s LEU 247 Cb -0.20 -3.59 -0.10 0.00 -0.43 0.00 0.00 46.19 41.87 1pg8 s LEU 247 CO 0.23 -0.07 1.45 -0.55 -0.29 0.00 0.00 176.35 177.12 1pg8 s SER 248 N -0.12 6.67 0.44 3.68 0.15 -1.26 -4.90 113.70 118.35 1pg8 s SER 248 Ca 0.47 2.62 0.11 0.00 0.70 0.00 0.00 55.95 59.84 1pg8 s SER 248 Cb -0.24 -2.61 0.98 0.00 -1.71 0.00 0.00 66.02 62.44 1pg8 s SER 248 CO 0.31 -0.71 2.04 -0.65 1.20 0.00 0.00 173.24 175.43 1pg8 h PRO 249 N 5.49 0.41 -0.18 5.44 0.11 -1.96 0.11 132.00 141.41 1pg8 h PRO 249 Ca -0.45 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1pg8 h PRO 249 Cb 1.21 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1pg8 h PRO 249 CO 0.81 0.27 -0.14 1.25 -0.21 0.00 0.00 178.00 179.98 1pg8 h HIS 250 N 0.42 -0.34 -0.13 0.65 -0.00 -1.93 -1.15 115.15 112.67 1pg8 h HIS 250 Ca 0.18 0.02 -0.14 0.00 -0.00 0.00 0.00 60.37 60.43 1pg8 h HIS 250 Cb 0.19 0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 1pg8 h HIS 250 CO -0.00 -0.20 -0.53 -0.44 -0.00 0.00 0.00 177.93 176.76 1pg8 h ASP 251 N -0.14 0.41 -0.11 3.26 3.45 -1.66 -2.36 116.42 119.27 1pg8 h ASP 251 Ca 0.11 -0.21 -0.05 0.00 0.43 0.00 0.00 57.03 57.31 1pg8 h ASP 251 Cb 0.30 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 1pg8 h ASP 251 CO -0.26 0.86 -0.05 0.00 -1.57 0.00 0.00 179.24 178.21 1pg8 h ALA 252 N 1.15 1.46 -0.09 3.45 0.00 -0.67 0.73 119.26 125.30 1pg8 h ALA 252 Ca 0.01 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 1pg8 h ALA 252 Cb 1.02 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1pg8 h ALA 252 CO 0.09 0.38 -0.86 0.00 0.00 0.00 0.00 179.25 178.86 1pg8 h ALA 253 N 1.59 0.30 -0.68 0.00 0.00 -0.83 -1.86 119.26 117.78 1pg8 h ALA 253 Ca 0.08 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1pg8 h ALA 253 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1pg8 h ALA 253 CO 0.01 0.70 0.35 -0.07 0.00 0.00 0.00 179.25 180.25 1pg8 h LEU 254 N 0.46 0.87 -0.23 0.00 3.38 -1.14 -1.66 115.31 116.99 1pg8 h LEU 254 Ca -0.07 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1pg8 h LEU 254 Cb 1.49 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 1pg8 h LEU 254 CO 0.17 0.74 -0.10 0.25 0.09 0.00 0.00 178.44 179.59 1pg8 h LEU 255 N 0.94 -0.33 -1.17 1.67 5.85 -0.67 -0.43 115.31 121.18 1pg8 h LEU 255 Ca 0.24 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1pg8 h LEU 255 Cb 0.08 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1pg8 h LEU 255 CO -0.03 -0.12 0.53 0.24 -0.34 0.00 0.00 178.44 178.71 1pg8 h MET 256 N -0.06 1.09 -0.34 1.25 2.86 -1.26 0.93 114.93 119.39 1pg8 h MET 256 Ca 0.12 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1pg8 h MET 256 Cb 0.24 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1pg8 h MET 256 CO -0.27 0.73 0.17 -0.09 1.06 0.00 0.00 176.91 178.51 1pg8 h ARG 257 N 1.12 0.34 -0.41 1.72 2.43 -0.76 -2.05 114.38 116.77 1pg8 h ARG 257 Ca 0.30 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1pg8 h ARG 257 Cb -0.11 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1pg8 h ARG 257 CO -0.06 0.23 0.17 0.78 -1.51 0.00 0.00 179.97 179.57 1pg8 h GLY 258 N 0.35 0.65 1.13 2.80 0.00 -0.22 -2.84 103.07 104.93 1pg8 h GLY 258 Ca 0.14 -0.35 0.10 0.00 0.00 0.00 0.00 47.33 47.23 1pg8 h GLY 258 CO -0.10 0.33 0.35 -2.22 0.00 0.00 0.00 176.54 174.89 1pg8 h ILE 259 N 0.51 0.87 0.00 2.60 2.04 -0.43 -1.86 117.51 121.25 1pg8 h ILE 259 Ca 0.14 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1pg8 h ILE 259 Cb 0.17 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1pg8 h ILE 259 CO -0.01 0.05 0.01 0.11 0.00 0.00 0.00 178.15 178.30 1pg8 h LYS 260 N 0.26 0.00 -0.33 2.37 1.57 -1.12 -1.31 116.57 118.00 1pg8 h LYS 260 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1pg8 h LYS 260 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1pg8 h LYS 260 CO -0.05 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.08 1pg8 n THR 261 N -3.03 1.05 -0.12 -0.16 -2.24 -0.70 -4.81 114.28 104.26 1pg8 n THR 261 Ca -0.03 -1.03 -0.04 0.00 -2.27 0.00 0.00 64.05 60.67 1pg8 n THR 261 Cb 0.07 0.47 0.02 0.00 -2.10 0.00 0.00 70.33 68.79 1pg8 n THR 261 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1pg8 h LEU 262 N 1.96 -0.35 -0.17 3.22 5.85 -1.17 0.60 115.31 125.25 1pg8 h LEU 262 Ca 0.00 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1pg8 h LEU 262 Cb 0.75 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1pg8 h LEU 262 CO 0.01 -0.12 0.02 -0.55 -0.34 0.00 0.00 178.44 177.46 1pg8 h ASN 263 N 0.02 -0.01 -0.31 1.25 -0.00 -1.88 -0.45 115.58 114.20 1pg8 h ASN 263 Ca 0.20 0.03 0.05 0.00 -0.00 0.00 0.00 56.30 56.58 1pg8 h ASN 263 Cb 0.30 0.04 -0.05 0.00 -0.00 0.00 0.00 38.32 38.61 1pg8 h ASN 263 CO -0.41 0.02 0.01 -0.07 -0.00 0.00 0.00 177.43 176.98 1pg8 h LEU 264 N 0.09 -0.11 -0.40 6.14 4.07 -1.83 -0.37 115.31 122.91 1pg8 h LEU 264 Ca 0.07 0.07 -0.06 0.00 0.08 0.00 0.00 57.88 58.05 1pg8 h LEU 264 Cb 0.07 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1pg8 h LEU 264 CO -0.11 -0.02 0.03 0.03 -1.08 0.00 0.00 178.44 177.30 1pg8 h ARG 265 N 0.10 0.68 -0.55 1.13 3.08 -0.52 -2.66 114.38 115.65 1pg8 h ARG 265 Ca 0.15 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1pg8 h ARG 265 Cb 0.20 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1pg8 h ARG 265 CO -0.24 0.75 0.04 0.52 -1.07 0.00 0.00 179.97 179.97 1pg8 h MET 266 N 0.52 0.94 -0.88 0.04 2.86 -0.94 0.97 114.93 118.44 1pg8 h MET 266 Ca 0.12 -0.28 0.13 0.00 -2.06 0.00 0.00 59.70 57.61 1pg8 h MET 266 Cb 0.42 -0.10 -0.09 0.00 0.06 0.00 0.00 31.60 31.90 1pg8 h MET 266 CO 0.01 0.93 0.49 -0.44 1.06 0.00 0.00 176.91 178.97 1pg8 h ASP 267 N 0.82 0.65 -0.21 1.22 3.45 -0.93 0.23 116.42 121.65 1pg8 h ASP 267 Ca 0.16 0.07 -0.21 0.00 0.43 0.00 0.00 57.03 57.49 1pg8 h ASP 267 Cb 0.48 -0.04 0.01 0.00 -0.56 0.00 0.00 39.33 39.21 1pg8 h ASP 267 CO 0.02 0.31 -0.67 -0.09 -1.57 0.00 0.00 179.24 177.24 1pg8 h ARG 268 N 0.74 0.83 -0.60 3.56 9.65 -1.02 -0.80 114.38 126.74 1pg8 h ARG 268 Ca 0.46 -0.61 0.09 0.00 -1.10 0.00 0.00 59.98 58.82 1pg8 h ARG 268 Cb 0.56 0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 29.18 1pg8 h ARG 268 CO -0.32 1.23 0.24 0.45 2.80 0.00 0.00 179.97 184.37 1pg8 h HIS 269 N 0.58 0.41 -0.02 2.20 3.86 -0.31 -1.03 115.15 120.85 1pg8 h HIS 269 Ca -0.03 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1pg8 h HIS 269 Cb 1.30 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1pg8 h HIS 269 CO 0.08 0.12 -0.11 0.00 0.86 0.00 0.00 177.93 178.88 1pg8 h ALA 271 N 0.35 1.48 -0.16 0.00 0.00 -1.14 -1.35 119.26 118.44 1pg8 h ALA 271 Ca -0.01 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1pg8 h ALA 271 Cb 0.79 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1pg8 h ALA 271 CO 0.02 0.18 -0.64 -0.91 0.00 0.00 0.00 179.25 177.91 1pg8 h ASN 272 N 0.94 0.84 -0.35 0.00 2.35 -1.14 -3.05 115.58 115.18 1pg8 h ASN 272 Ca 0.49 -0.61 -0.13 0.00 -0.55 0.00 0.00 56.30 55.50 1pg8 h ASN 272 Cb 0.51 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1pg8 h ASN 272 CO -0.28 1.31 -0.26 0.00 -1.65 0.00 0.00 177.43 176.55 1pg8 h ALA 273 N 0.55 0.76 0.14 -0.83 0.00 -1.14 -1.36 119.26 117.38 1pg8 h ALA 273 Ca -0.03 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1pg8 h ALA 273 Cb 1.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1pg8 h ALA 273 CO 0.13 0.66 -0.29 0.37 0.00 0.00 0.00 179.25 180.12 1pg8 h GLN 274 N 0.74 -0.50 -0.29 0.00 5.75 -1.29 0.23 115.11 119.75 1pg8 h GLN 274 Ca 0.09 0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.67 1pg8 h GLN 274 Cb 0.81 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.43 1pg8 h GLN 274 CO 0.07 -0.33 0.03 0.28 -2.65 0.00 0.00 178.83 176.23 1pg8 h VAL 275 N -0.51 0.82 -0.80 2.39 2.07 -1.41 -1.45 116.25 117.36 1pg8 h VAL 275 Ca 0.03 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1pg8 h VAL 275 Cb 0.54 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1pg8 h VAL 275 CO -0.16 0.02 0.45 0.25 0.02 0.00 0.00 177.57 178.15 1pg8 h LEU 276 N 0.12 0.98 -0.19 2.57 6.46 -1.03 -1.11 115.31 123.11 1pg8 h LEU 276 Ca 0.14 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1pg8 h LEU 276 Cb 0.17 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 1pg8 h LEU 276 CO -0.21 0.77 0.06 0.00 -0.62 0.00 0.00 178.44 178.44 1pg8 h ALA 277 N 1.39 0.25 -0.49 1.25 0.00 -0.06 -1.18 119.26 120.41 1pg8 h ALA 277 Ca 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1pg8 h ALA 277 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1pg8 h ALA 277 CO -0.05 -0.13 0.18 0.93 0.00 0.00 0.00 179.25 180.18 1pg8 h GLU 278 N 0.12 0.71 0.35 0.00 5.08 -1.12 -1.67 114.58 118.06 1pg8 h GLU 278 Ca 0.06 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1pg8 h GLU 278 Cb 0.24 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1pg8 h GLU 278 CO -0.00 0.60 -0.17 0.35 -1.00 0.00 0.00 179.01 178.79 1pg8 h PHE 279 N 0.70 -0.44 -0.27 4.33 3.57 -1.04 -3.19 116.94 120.60 1pg8 h PHE 279 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1pg8 h PHE 279 Cb 0.17 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1pg8 h PHE 279 CO 0.01 -0.24 0.18 -0.07 -2.23 0.00 0.00 178.31 175.96 1pg8 h LEU 280 N -0.53 0.31 -1.71 0.59 -0.00 -0.87 -2.17 115.31 110.92 1pg8 h LEU 280 Ca -0.05 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 1pg8 h LEU 280 Cb 0.40 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1pg8 h LEU 280 CO 0.08 0.22 -0.17 0.00 -0.00 0.00 0.00 178.44 178.58 1pg8 h ALA 281 N 1.83 1.28 -0.60 1.53 0.00 -1.30 -2.79 119.26 119.21 1pg8 h ALA 281 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pg8 h ALA 281 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1pg8 h ALA 281 CO -0.02 0.21 0.00 0.54 0.00 0.00 0.00 179.25 179.98 1pg8 n ARG 282 N -3.69 2.59 -3.53 0.00 1.74 -0.82 -4.96 116.66 107.99 1pg8 n ARG 282 Ca -0.02 -2.44 -0.38 0.00 -0.77 0.00 0.00 57.85 54.24 1pg8 n ARG 282 Cb 0.28 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 1pg8 n ARG 282 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1pg8 s GLN 283 N -1.20 3.97 0.59 5.56 -1.52 -1.05 -4.98 119.66 121.02 1pg8 s GLN 283 Ca 0.45 0.30 0.33 0.00 -1.95 0.00 0.00 55.36 54.48 1pg8 s GLN 283 Cb 0.24 -3.28 1.83 0.00 -0.22 0.00 0.00 33.01 31.58 1pg8 s GLN 283 CO 0.32 0.55 2.21 -1.00 -0.25 0.00 0.00 175.29 177.12 1pg8 h PRO 284 N 5.34 0.00 0.00 2.91 0.13 -1.93 -2.31 132.00 136.14 1pg8 h PRO 284 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1pg8 h PRO 284 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pg8 h PRO 284 CO 0.65 0.04 -0.15 1.04 -0.23 0.00 0.00 178.00 179.35 1pg8 n GLN 285 N -3.53 0.14 -3.56 0.86 3.00 -1.26 -4.80 117.38 108.23 1pg8 n GLN 285 Ca -0.02 0.09 -0.38 0.00 -0.01 0.00 0.00 57.00 56.67 1pg8 n GLN 285 Cb 0.14 -1.64 -0.11 0.00 0.00 0.00 0.00 30.24 28.64 1pg8 n GLN 285 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1pg8 s VAL 286 N -3.06 5.29 -0.01 5.09 1.01 -0.87 -0.50 120.40 127.35 1pg8 s VAL 286 Ca 0.11 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 1pg8 s VAL 286 Cb 0.16 -3.57 -0.27 0.00 0.00 0.00 0.00 36.38 32.69 1pg8 s VAL 286 CO 0.60 0.20 1.03 -0.08 0.00 0.00 0.00 175.10 176.86 1pg8 h GLU 287 N 8.37 0.41 -2.36 2.72 4.57 -1.01 -3.46 114.58 123.81 1pg8 h GLU 287 Ca -0.34 -0.53 -0.08 0.00 -1.18 0.00 0.00 59.36 57.24 1pg8 h GLU 287 Cb 1.18 0.17 -0.23 0.00 -0.16 0.00 0.00 28.75 29.72 1pg8 h GLU 287 CO 0.57 1.20 -0.07 -1.17 -1.18 0.00 0.00 179.01 178.36 1pg8 s LEU 288 N -8.11 -0.22 -0.05 1.64 2.96 -1.21 -5.01 118.68 108.69 1pg8 s LEU 288 Ca -0.13 1.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.96 1pg8 s LEU 288 Cb 0.03 1.93 0.01 0.00 0.50 0.00 0.00 46.19 48.65 1pg8 s LEU 288 CO 0.84 -0.20 -0.12 -0.51 -1.32 0.00 0.00 176.35 175.04 1pg8 s ILE 289 N 0.52 1.05 -0.45 6.68 2.07 -1.26 -0.68 121.20 129.12 1pg8 s ILE 289 Ca -0.02 -0.47 -0.09 0.00 -1.41 0.00 0.00 60.65 58.66 1pg8 s ILE 289 Cb -0.04 -0.94 0.11 0.00 0.13 0.00 0.00 42.46 41.71 1pg8 s ILE 289 CO -0.02 0.32 0.31 -1.00 -1.91 0.00 0.00 174.94 172.64 1pg8 s HIS 290 N 0.37 3.42 -0.04 3.50 3.76 0.65 -4.89 115.29 122.06 1pg8 s HIS 290 Ca -0.08 -1.84 -0.02 0.00 -0.15 0.00 0.00 55.06 52.97 1pg8 s HIS 290 Cb -0.12 -3.33 0.03 0.00 1.11 0.00 0.00 32.58 30.27 1pg8 s HIS 290 CO 0.02 -0.96 0.07 -0.47 -0.85 0.00 0.00 174.74 172.55 1pg8 s TYR 291 N 1.36 0.02 0.56 1.40 6.14 -1.26 -2.67 117.35 122.90 1pg8 s TYR 291 Ca 0.05 0.27 0.29 0.00 0.64 0.00 0.00 57.07 58.33 1pg8 s TYR 291 Cb -0.25 -0.39 1.46 0.00 0.42 0.00 0.00 41.96 43.20 1pg8 s TYR 291 CO -0.00 -0.17 1.92 -1.35 0.64 0.00 0.00 175.55 176.58 1pg8 h PRO 292 N 8.13 0.00 -0.01 4.97 0.11 -1.88 -1.38 132.00 141.94 1pg8 h PRO 292 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1pg8 h PRO 292 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1pg8 h PRO 292 CO 0.23 0.00 -0.01 0.41 -0.21 0.00 0.00 178.00 178.42 1pg8 n GLY 293 N -1.62 -0.38 3.75 -0.55 0.00 -1.26 -4.77 105.19 100.36 1pg8 n GLY 293 Ca 0.13 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1pg8 n GLY 293 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pg8 s LEU 294 N -2.04 4.36 0.44 0.99 1.43 -0.52 -4.98 118.68 118.36 1pg8 s LEU 294 Ca 0.40 1.07 0.23 0.00 -1.03 0.00 0.00 54.13 54.80 1pg8 s LEU 294 Cb 0.21 -2.88 1.22 0.00 0.03 0.00 0.00 46.19 44.77 1pg8 s LEU 294 CO 0.36 0.04 1.79 0.00 0.23 0.00 0.00 176.35 178.77 1pg8 h ALA 295 N 6.12 2.45 0.00 4.21 0.00 -1.87 -0.33 119.26 129.84 1pg8 h ALA 295 Ca -0.43 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1pg8 h ALA 295 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1pg8 h ALA 295 CO 0.72 -0.83 0.00 -1.13 0.00 0.00 0.00 179.25 178.01 1pg8 n SER 296 N -4.50 0.48 -4.66 0.00 3.41 -1.26 -4.81 113.62 102.28 1pg8 n SER 296 Ca 0.24 0.63 -0.47 0.00 -0.26 0.00 0.00 58.87 59.02 1pg8 n SER 296 Cb 0.94 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1pg8 n SER 296 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1pg8 n PHE 297 N -2.05 2.16 -0.29 7.33 -0.00 -0.14 -4.88 117.46 119.60 1pg8 n PHE 297 Ca 0.02 0.32 0.04 0.00 -0.00 0.00 0.00 57.45 57.83 1pg8 n PHE 297 Cb 0.19 -2.51 0.19 0.00 -0.00 0.00 0.00 39.48 37.34 1pg8 n PHE 297 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1pg8 h PRO 298 N 5.75 0.71 -0.92 -7.13 0.11 -1.90 -2.54 132.00 126.09 1pg8 h PRO 298 Ca -0.45 -0.04 -0.64 0.00 0.11 0.00 0.00 66.00 64.98 1pg8 h PRO 298 Cb 1.27 -0.16 -0.34 0.00 0.11 0.00 0.00 31.00 31.88 1pg8 h PRO 298 CO 0.87 0.47 0.29 1.04 -0.21 0.00 0.00 178.00 180.47 1pg8 n GLN 299 N -4.79 3.01 -0.06 1.05 6.02 -1.26 -4.74 117.38 116.61 1pg8 n GLN 299 Ca 0.15 -3.60 -0.07 0.00 -0.01 0.00 0.00 57.00 53.47 1pg8 n GLN 299 Cb 0.33 -2.29 -0.01 0.00 1.02 0.00 0.00 30.24 29.29 1pg8 n GLN 299 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1pg8 h TYR 300 N 2.07 -0.10 -0.54 1.08 3.20 -1.76 0.18 116.97 121.09 1pg8 h TYR 300 Ca 0.53 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.41 1pg8 h TYR 300 Cb 1.06 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 1pg8 h TYR 300 CO 1.24 -0.09 0.30 1.15 -1.64 0.00 0.00 178.16 179.11 1pg8 h THR 301 N 0.02 1.18 -0.78 1.81 2.02 -1.86 -2.12 112.91 113.18 1pg8 h THR 301 Ca 0.12 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 1pg8 h THR 301 Cb 0.18 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1pg8 h THR 301 CO -0.25 0.20 0.29 0.25 0.37 0.00 0.00 175.52 176.38 1pg8 h LEU 302 N 0.73 1.09 -0.67 2.58 6.46 -1.77 -2.76 115.31 120.97 1pg8 h LEU 302 Ca 0.19 -0.18 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 1pg8 h LEU 302 Cb 0.05 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 39.63 1pg8 h LEU 302 CO -0.03 0.98 0.34 0.00 -0.62 0.00 0.00 178.44 179.11 1pg8 h ALA 303 N 1.15 0.90 0.00 1.25 0.00 -0.30 -2.46 119.26 119.80 1pg8 h ALA 303 Ca 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1pg8 h ALA 303 Cb 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pg8 h ALA 303 CO -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.16 1pg8 h ARG 304 N 0.61 0.00 0.03 0.00 3.08 -1.19 -2.05 114.38 114.86 1pg8 h ARG 304 Ca 0.31 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.32 1pg8 h ARG 304 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.33 1pg8 h ARG 304 CO -0.23 0.05 -0.20 1.96 -1.07 0.00 0.00 179.97 180.48 1pg8 h GLN 305 N 0.00 0.08 0.00 0.04 4.20 -1.31 -3.40 115.11 114.73 1pg8 h GLN 305 Ca -0.00 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1pg8 h GLN 305 Cb 0.72 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1pg8 h GLN 305 CO 0.01 1.05 -1.07 0.00 -0.67 0.00 0.00 178.83 178.14 1pg8 n GLN 306 N -4.49 0.15 -4.95 1.46 10.64 -0.94 -4.89 117.38 114.35 1pg8 n GLN 306 Ca -0.11 -0.02 -0.28 0.00 -1.83 0.00 0.00 57.00 54.76 1pg8 n GLN 306 Cb 0.56 -1.49 -0.16 0.00 -0.86 0.00 0.00 30.24 28.29 1pg8 n GLN 306 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1pg8 s MET 307 N -3.02 2.23 0.26 2.61 -1.94 -0.77 -4.54 119.30 114.14 1pg8 s MET 307 Ca 0.06 -0.68 0.26 0.00 -1.71 0.00 0.00 55.69 53.62 1pg8 s MET 307 Cb 0.16 -1.82 0.79 0.00 2.01 0.00 0.00 34.83 35.97 1pg8 s MET 307 CO 0.86 0.19 1.75 0.66 -0.01 0.00 0.00 175.02 178.48 1pg8 h SER 308 N 6.52 0.00 -4.89 3.03 4.64 -1.51 -3.40 113.55 117.95 1pg8 h SER 308 Ca -0.28 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 1pg8 h SER 308 Cb 1.20 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.08 1pg8 h SER 308 CO 0.47 0.00 -0.28 -1.10 -0.87 0.00 0.00 176.83 175.05 1pg8 s GLN 309 N -3.16 0.64 0.00 4.77 -0.21 -1.26 -5.07 119.66 115.37 1pg8 s GLN 309 Ca 0.09 -0.13 0.20 0.00 0.02 0.00 0.00 55.36 55.53 1pg8 s GLN 309 Cb 0.11 0.29 1.09 0.00 1.00 0.00 0.00 33.01 35.50 1pg8 s GLN 309 CO 0.58 -0.17 1.58 -0.35 -2.12 0.00 0.00 175.29 174.81 1pg8 n PRO 310 N 1.42 0.47 0.00 2.91 -0.05 -1.26 -5.00 135.00 133.49 1pg8 n PRO 310 Ca -0.21 0.05 0.00 0.00 -0.05 0.00 0.00 63.50 63.29 1pg8 n PRO 310 Cb 0.56 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.51 1pg8 n PRO 310 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1pg8 n GLY 311 N 0.28 0.23 0.62 0.55 0.00 -1.26 -4.50 105.19 101.11 1pg8 n GLY 311 Ca 0.12 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.44 1pg8 n GLY 311 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg8 n GLY 312 N 0.48 0.27 3.86 -0.02 0.00 -1.26 -4.29 105.19 104.23 1pg8 n GLY 312 Ca 0.00 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1pg8 n GLY 312 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pg8 s MET 313 N -2.25 3.52 -0.04 1.61 -1.94 -1.26 -1.36 119.30 117.58 1pg8 s MET 313 Ca 0.25 -0.15 0.03 0.00 -1.71 0.00 0.00 55.69 54.11 1pg8 s MET 313 Cb 0.19 -3.21 0.00 0.00 2.01 0.00 0.00 34.83 33.83 1pg8 s MET 313 CO 0.44 0.72 -0.11 0.42 -0.01 0.00 0.00 175.02 176.48 1pg8 s ILE 314 N -0.86 0.97 -0.05 2.53 1.01 -0.46 -4.83 121.20 119.51 1pg8 s ILE 314 Ca 0.14 -0.44 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1pg8 s ILE 314 Cb -0.12 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 1pg8 s ILE 314 CO 0.03 0.30 -0.21 0.00 0.00 0.00 0.00 174.94 175.06 1pg8 s ALA 315 N 0.27 2.33 0.06 9.38 0.00 -1.09 -0.29 121.76 132.43 1pg8 s ALA 315 Ca -0.06 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 1pg8 s ALA 315 Cb -0.11 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1pg8 s ALA 315 CO 0.01 0.47 0.09 -0.59 0.00 0.00 0.00 175.76 175.74 1pg8 s PHE 316 N -0.38 0.28 -0.17 0.00 -0.12 -0.44 -0.25 117.98 116.91 1pg8 s PHE 316 Ca 0.03 -0.72 -0.00 0.00 -0.05 0.00 0.00 56.93 56.19 1pg8 s PHE 316 Cb -0.12 -0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.08 1pg8 s PHE 316 CO 0.02 -0.44 -0.14 -1.21 -0.05 0.00 0.00 175.22 173.40 1pg8 s GLU 317 N -3.55 3.22 0.32 1.99 2.02 0.14 -0.75 118.70 122.09 1pg8 s GLU 317 Ca 0.03 -0.73 -0.28 0.00 0.02 0.00 0.00 54.97 54.01 1pg8 s GLU 317 Cb 0.04 -2.69 -0.09 0.00 0.10 0.00 0.00 34.13 31.49 1pg8 s GLU 317 CO -0.09 -0.06 1.13 -0.51 0.02 0.00 0.00 175.26 175.75 1pg8 s LEU 318 N 1.01 4.43 0.12 1.80 2.01 -0.28 -0.41 118.68 127.36 1pg8 s LEU 318 Ca -0.01 2.30 -0.23 0.00 0.01 0.00 0.00 54.13 56.20 1pg8 s LEU 318 Cb -0.15 -3.77 -0.07 0.00 0.01 0.00 0.00 46.19 42.22 1pg8 s LEU 318 CO -0.03 -0.32 1.68 0.11 1.01 0.00 0.00 176.35 178.81 1pg8 h LYS 319 N 3.40 -0.19 -0.98 1.70 1.57 -1.12 -3.18 116.57 117.77 1pg8 h LYS 319 Ca -0.47 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1pg8 h LYS 319 Cb 1.22 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1pg8 h LYS 319 CO 0.65 -0.12 0.00 0.41 -0.57 0.00 0.00 179.45 179.82 1pg8 n GLY 320 N -1.26 1.59 7.00 3.86 0.00 -1.26 -4.98 105.19 110.14 1pg8 n GLY 320 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1pg8 n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg8 n GLY 321 N 0.16 0.44 0.35 -0.02 0.00 -1.20 -3.10 105.19 101.83 1pg8 n GLY 321 Ca 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 46.02 45.22 1pg8 n GLY 321 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pg8 h ILE 322 N 0.00 1.14 -0.26 -0.61 2.10 -1.88 -1.18 117.51 116.83 1pg8 h ILE 322 Ca 0.00 -0.33 -0.08 0.00 1.08 0.00 0.00 64.86 65.53 1pg8 h ILE 322 Cb 0.00 0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 35.82 1pg8 h ILE 322 CO 0.00 0.18 -0.15 1.23 -1.08 0.00 0.00 178.15 178.33 1pg8 h GLY 323 N 0.96 0.61 1.01 8.18 0.00 -1.87 -1.73 103.07 110.22 1pg8 h GLY 323 Ca 0.30 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1pg8 h GLY 323 CO -0.08 0.51 0.49 0.00 0.00 0.00 0.00 176.54 177.46 1pg8 h ALA 324 N 0.72 0.93 -0.62 3.60 0.00 -1.38 -1.85 119.26 120.66 1pg8 h ALA 324 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pg8 h ALA 324 Cb 0.67 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1pg8 h ALA 324 CO 0.04 0.35 0.30 0.78 0.00 0.00 0.00 179.25 180.73 1pg8 h GLY 325 N 1.00 0.96 0.95 0.00 0.00 -1.13 -0.99 103.07 103.87 1pg8 h GLY 325 Ca 0.27 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1pg8 h GLY 325 CO -0.06 0.46 0.11 3.21 0.00 0.00 0.00 176.54 180.26 1pg8 h ARG 326 N 0.86 0.28 -0.37 4.80 3.08 -1.05 -1.79 114.38 120.18 1pg8 h ARG 326 Ca 0.21 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 60.08 1pg8 h ARG 326 Cb 0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1pg8 h ARG 326 CO -0.03 0.26 -0.37 0.00 -1.07 0.00 0.00 179.97 178.76 1pg8 h ARG 327 N 0.22 0.91 0.02 0.04 3.08 -1.14 -0.44 114.38 117.07 1pg8 h ARG 327 Ca 0.07 -0.48 0.02 0.00 0.07 0.00 0.00 59.98 59.66 1pg8 h ARG 327 Cb 0.06 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1pg8 h ARG 327 CO -0.01 1.13 -0.16 0.35 -1.07 0.00 0.00 179.97 180.21 1pg8 h PHE 328 N 0.72 -0.43 -0.62 3.04 3.57 -1.16 -2.38 116.94 119.69 1pg8 h PHE 328 Ca 0.06 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1pg8 h PHE 328 Cb 0.97 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 1pg8 h PHE 328 CO 0.06 -0.24 0.38 0.52 -2.23 0.00 0.00 178.31 176.80 1pg8 h MET 329 N -0.28 0.72 0.00 1.11 2.86 -1.15 -2.28 114.93 115.90 1pg8 h MET 329 Ca 0.05 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1pg8 h MET 329 Cb 0.34 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1pg8 h MET 329 CO -0.14 0.47 0.00 -0.91 1.06 0.00 0.00 176.91 177.39 1pg8 h ASN 330 N 0.74 0.00 0.99 1.22 -0.26 -0.88 -3.04 115.58 114.34 1pg8 h ASN 330 Ca 0.25 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.90 1pg8 h ASN 330 Cb 0.04 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.29 1pg8 h ASN 330 CO -0.11 0.00 -1.07 0.00 -1.06 0.00 0.00 177.43 175.19 1pg8 h ALA 331 N 2.25 0.62 -2.67 -0.83 0.00 -0.88 -3.47 119.26 114.28 1pg8 h ALA 331 Ca 0.00 -0.44 -0.52 0.00 0.00 0.00 0.00 54.91 53.94 1pg8 h ALA 331 Cb 0.39 0.12 0.06 0.00 0.00 0.00 0.00 17.79 18.36 1pg8 h ALA 331 CO 0.00 0.50 0.99 1.28 0.00 0.00 0.00 179.25 182.02 1pg8 n LEU 332 N -2.87 4.07 -0.00 0.00 4.77 -1.15 -4.82 117.00 116.99 1pg8 n LEU 332 Ca -0.04 1.07 0.06 0.00 -0.03 0.00 0.00 56.01 57.07 1pg8 n LEU 332 Cb 0.70 -1.58 -0.08 0.00 -2.33 0.00 0.00 43.42 40.13 1pg8 n LEU 332 CO 0.41 0.18 -0.34 0.00 -1.33 0.00 0.00 177.39 176.31 1pg8 n GLN 333 N 3.67 1.69 -0.02 3.23 1.13 -1.26 -4.86 117.38 120.97 1pg8 n GLN 333 Ca 0.15 -0.06 -0.05 0.00 -1.94 0.00 0.00 57.00 55.10 1pg8 n GLN 333 Cb 0.35 -1.18 -0.02 0.00 0.11 0.00 0.00 30.24 29.51 1pg8 n GLN 333 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1pg8 n LEU 334 N -1.61 1.45 -4.52 1.08 0.00 -1.26 -4.95 117.00 107.19 1pg8 n LEU 334 Ca -0.00 0.22 -0.51 0.00 0.00 0.00 0.00 56.01 55.72 1pg8 n LEU 334 Cb 0.25 -0.51 -0.05 0.00 0.00 0.00 0.00 43.42 43.12 1pg8 n LEU 334 CO 0.25 -0.49 0.53 0.49 0.00 0.00 0.00 177.39 178.17 1pg8 n PHE 335 N -3.91 0.77 -3.97 1.96 3.01 -1.26 -4.77 117.46 109.29 1pg8 n PHE 335 Ca -0.08 0.83 -0.31 0.00 1.01 0.00 0.00 57.45 58.91 1pg8 n PHE 335 Cb 0.26 -2.17 -0.05 0.00 -0.01 0.00 0.00 39.48 37.52 1pg8 n PHE 335 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1pg8 s SER 336 N -0.22 6.02 -0.55 4.37 0.01 -0.74 -4.81 113.70 117.77 1pg8 s SER 336 Ca 0.75 0.16 -0.25 0.00 1.31 0.00 0.00 55.95 57.92 1pg8 s SER 336 Cb -0.96 -1.76 0.04 0.00 0.21 0.00 0.00 66.02 63.54 1pg8 s SER 336 CO 0.54 0.17 1.00 -0.13 0.41 0.00 0.00 173.24 175.23 1pg8 s ARG 337 N -2.46 3.38 -0.02 12.44 0.52 -1.26 -0.99 118.95 130.56 1pg8 s ARG 337 Ca 0.33 -0.13 -0.29 0.00 -0.52 0.00 0.00 55.73 55.12 1pg8 s ARG 337 Cb -0.13 -4.04 0.08 0.00 0.52 0.00 0.00 34.95 31.39 1pg8 s ARG 337 CO 0.26 -1.52 0.73 0.00 0.02 0.00 0.00 175.30 174.79 1pg8 s ALA 338 N 4.16 -1.77 0.90 2.13 0.00 -0.95 -4.95 121.76 121.28 1pg8 s ALA 338 Ca 0.33 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 53.34 1pg8 s ALA 338 Cb -0.11 0.10 0.13 0.00 0.00 0.00 0.00 23.12 23.24 1pg8 s ALA 338 CO 0.21 -0.47 1.14 0.14 0.00 0.00 0.00 175.76 176.78 1pg8 s VAL 339 N -1.87 2.00 0.00 0.00 -7.23 -1.26 -4.27 120.40 107.76 1pg8 s VAL 339 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.11 1pg8 s VAL 339 Cb -0.00 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1pg8 s VAL 339 CO 0.02 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.57 1pg8 n SER 340 N -3.70 0.00 -3.78 4.85 2.88 -1.26 -5.02 113.62 107.59 1pg8 n SER 340 Ca 0.07 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.55 1pg8 n SER 340 Cb 0.60 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.04 1pg8 n SER 340 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1pg8 s LEU 341 N -1.72 -0.25 -0.53 2.46 2.34 -1.26 -4.86 118.68 114.86 1pg8 s LEU 341 Ca 0.00 -0.46 0.00 0.00 0.06 0.00 0.00 54.13 53.73 1pg8 s LEU 341 Cb 0.00 2.47 0.00 0.00 -0.56 0.00 0.00 46.19 48.10 1pg8 s LEU 341 CO 0.00 -1.12 0.00 0.61 -1.06 0.00 0.00 176.35 174.78 1pg8 n GLY 342 N -0.45 0.57 3.99 -3.48 0.00 -1.26 -4.31 105.19 100.24 1pg8 n GLY 342 Ca -0.06 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 1pg8 n GLY 342 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg8 s ASP 343 N -2.88 5.03 0.33 1.61 1.01 -1.26 -3.60 116.67 116.92 1pg8 s ASP 343 Ca 0.00 -0.25 0.04 0.00 0.71 0.00 0.00 52.55 53.06 1pg8 s ASP 343 Cb 0.00 -0.48 0.59 0.00 1.01 0.00 0.00 42.92 44.04 1pg8 s ASP 343 CO 0.00 -1.33 1.87 0.00 0.21 0.00 0.00 175.17 175.92 1pg8 h ALA 344 N -0.03 1.36 -2.77 5.23 0.00 -1.70 -3.41 119.26 117.94 1pg8 h ALA 344 Ca -0.39 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 53.75 1pg8 h ALA 344 Cb 1.29 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1pg8 h ALA 344 CO 0.47 0.44 -0.02 -1.83 0.00 0.00 0.00 179.25 178.31 1pg8 s GLU 345 N -4.96 4.34 0.28 0.00 1.03 -1.26 -0.85 118.70 117.28 1pg8 s GLU 345 Ca -0.08 0.69 -0.30 0.00 0.03 0.00 0.00 54.97 55.32 1pg8 s GLU 345 Cb 0.15 -3.39 -0.10 0.00 -0.80 0.00 0.00 34.13 29.99 1pg8 s GLU 345 CO 0.77 0.26 1.44 -1.12 -1.33 0.00 0.00 175.26 175.28 1pg8 s SER 346 N 0.21 6.60 0.18 0.83 0.01 -1.26 -4.63 113.70 115.64 1pg8 s SER 346 Ca 0.31 2.75 0.07 0.00 1.31 0.00 0.00 55.95 60.39 1pg8 s SER 346 Cb -0.17 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.38 1pg8 s SER 346 CO 0.16 -0.72 -0.15 -0.76 0.41 0.00 0.00 173.24 172.18 1pg8 s LEU 347 N -0.80 2.51 0.01 2.44 1.43 -0.46 -1.79 118.68 122.03 1pg8 s LEU 347 Ca 0.57 -0.96 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 1pg8 s LEU 347 Cb -0.43 -0.65 0.01 0.00 0.03 0.00 0.00 46.19 45.15 1pg8 s LEU 347 CO 0.47 -0.16 0.19 0.00 0.23 0.00 0.00 176.35 177.09 1pg8 s ALA 348 N -2.74 -0.45 0.12 4.21 0.00 -0.16 -0.66 121.76 122.08 1pg8 s ALA 348 Ca 0.19 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.91 1pg8 s ALA 348 Cb -0.02 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.29 1pg8 s ALA 348 CO 0.06 -0.26 0.46 1.14 0.00 0.00 0.00 175.76 177.16 1pg8 s GLN 349 N -1.64 1.10 -0.41 0.00 -2.07 -0.23 -2.23 119.66 114.18 1pg8 s GLN 349 Ca -0.12 -0.57 0.04 0.00 -1.82 0.00 0.00 55.36 52.89 1pg8 s GLN 349 Cb -0.06 0.49 0.16 0.00 -1.09 0.00 0.00 33.01 32.52 1pg8 s GLN 349 CO 0.01 -0.43 0.39 -1.58 -1.32 0.00 0.00 175.29 172.36 1pg8 s HIS 350 N -3.51 0.24 0.38 9.60 5.65 -1.26 -0.42 115.29 125.97 1pg8 s HIS 350 Ca 0.01 -1.55 0.14 0.00 0.25 0.00 0.00 55.06 53.91 1pg8 s HIS 350 Cb 0.01 -0.58 0.98 0.00 -1.18 0.00 0.00 32.58 31.80 1pg8 s HIS 350 CO -0.10 -0.94 1.83 -1.35 -0.65 0.00 0.00 174.74 173.53 1pg8 h PRO 351 N 6.13 0.51 -0.95 2.88 0.11 -1.94 -1.46 132.00 137.28 1pg8 h PRO 351 Ca 0.15 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.37 1pg8 h PRO 351 Cb 0.99 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 31.89 1pg8 h PRO 351 CO 0.25 0.34 0.57 0.00 -0.21 0.00 0.00 178.00 178.95 1pg8 h ALA 352 N 1.62 1.47 -0.01 -0.75 0.00 -1.83 -0.61 119.26 119.15 1pg8 h ALA 352 Ca 0.51 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1pg8 h ALA 352 Cb 1.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1pg8 h ALA 352 CO -0.24 0.08 -0.69 -1.13 0.00 0.00 0.00 179.25 177.27 1pg8 n SER 353 N -4.72 1.47 0.00 0.00 3.41 -0.75 -3.58 113.62 109.46 1pg8 n SER 353 Ca 0.19 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 1pg8 n SER 353 Cb 0.42 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1pg8 n SER 353 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1pg8 n MET 354 N -0.73 0.00 -0.33 4.33 2.81 -0.62 -4.67 117.12 117.91 1pg8 n MET 354 Ca 0.06 0.00 0.28 0.00 -1.81 0.00 0.00 57.70 56.23 1pg8 n MET 354 Cb 0.38 0.00 0.52 0.00 -0.71 0.00 0.00 33.22 33.42 1pg8 n MET 354 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1pg8 h THR 355 N 0.00 0.10 -0.29 2.03 1.35 -1.80 -1.04 112.91 113.27 1pg8 h THR 355 Ca 0.00 -0.04 -0.16 0.00 -0.55 0.00 0.00 66.41 65.67 1pg8 h THR 355 Cb 0.00 -0.01 -0.10 0.00 -1.73 0.00 0.00 68.15 66.31 1pg8 h THR 355 CO 0.00 0.02 -0.22 1.41 -0.25 0.00 0.00 175.52 176.48 1pg8 n HIS 356 N -5.21 0.90 -0.17 4.73 8.25 -0.28 -4.80 115.22 118.65 1pg8 n HIS 356 Ca 0.35 -1.64 -0.08 0.00 -0.26 0.00 0.00 57.72 56.09 1pg8 n HIS 356 Cb 1.14 -0.44 0.07 0.00 1.12 0.00 0.00 29.99 31.88 1pg8 n HIS 356 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1pg8 h SER 357 N 1.07 0.94 -0.47 0.41 4.64 -1.20 -3.08 113.55 115.87 1pg8 h SER 357 Ca 0.18 -0.28 -0.32 0.00 -0.47 0.00 0.00 61.79 60.90 1pg8 h SER 357 Cb 1.47 -0.25 -0.14 0.00 -0.31 0.00 0.00 62.40 63.17 1pg8 h SER 357 CO 0.32 1.03 0.41 -1.54 -0.87 0.00 0.00 176.83 176.18 1pg8 n SER 358 N -4.17 6.38 -4.89 4.97 3.41 -1.26 -4.76 113.62 113.31 1pg8 n SER 358 Ca 0.02 -3.05 -0.26 0.00 -0.26 0.00 0.00 58.87 55.33 1pg8 n SER 358 Cb 0.36 -1.05 -0.01 0.00 -0.26 0.00 0.00 64.21 63.25 1pg8 n SER 358 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1pg8 s TYR 359 N -1.78 1.74 0.44 7.33 1.51 -1.17 -5.16 117.35 120.26 1pg8 s TYR 359 Ca 0.30 -0.81 -0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1pg8 s TYR 359 Cb 0.24 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 1pg8 s TYR 359 CO -0.00 -0.40 0.69 0.95 -1.11 0.00 0.00 175.55 175.67 1pg8 s THR 360 N -2.75 4.54 0.38 -0.71 -4.23 -1.26 -5.00 115.64 106.61 1pg8 s THR 360 Ca 0.34 -0.25 0.13 0.00 -1.18 0.00 0.00 61.69 60.74 1pg8 s THR 360 Cb -0.02 -3.70 0.35 0.00 1.34 0.00 0.00 72.50 70.47 1pg8 s THR 360 CO 0.21 -0.56 1.85 -0.65 -0.54 0.00 0.00 174.62 174.93 1pg8 h PRO 361 N 0.40 0.53 -0.22 3.99 0.11 -1.97 -2.50 132.00 132.34 1pg8 h PRO 361 Ca -0.47 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.41 1pg8 h PRO 361 Cb 1.23 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.23 1pg8 h PRO 361 CO 0.60 0.35 -0.63 0.93 -0.21 0.00 0.00 178.00 179.04 1pg8 h GLU 362 N 0.54 0.82 0.00 1.05 3.07 -1.97 -2.31 114.58 115.77 1pg8 h GLU 362 Ca 0.47 -0.58 -0.05 0.00 -0.50 0.00 0.00 59.36 58.70 1pg8 h GLU 362 Cb 0.98 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 1pg8 h GLU 362 CO -0.21 1.20 -0.26 0.93 -1.40 0.00 0.00 179.01 179.28 1pg8 h GLU 363 N 0.57 0.00 -0.15 2.33 5.08 -1.90 -2.37 114.58 118.14 1pg8 h GLU 363 Ca -0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1pg8 h GLU 363 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1pg8 h GLU 363 CO 0.14 0.26 -0.68 0.00 -1.00 0.00 0.00 179.01 177.72 1pg8 h ARG 364 N 0.00 0.59 -0.50 2.33 3.08 -1.23 -3.07 114.38 115.58 1pg8 h ARG 364 Ca -0.00 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.58 1pg8 h ARG 364 Cb 0.54 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1pg8 h ARG 364 CO 0.03 1.06 0.18 0.00 -1.07 0.00 0.00 179.97 180.18 1pg8 h ALA 365 N 0.83 1.39 -0.99 0.04 0.00 -1.01 -0.49 119.26 119.03 1pg8 h ALA 365 Ca -0.02 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.87 1pg8 h ALA 365 Cb 1.26 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 1pg8 h ALA 365 CO 0.13 0.46 0.62 1.25 0.00 0.00 0.00 179.25 181.71 1pg8 h HIS 366 N 0.71 1.10 -0.46 0.00 -0.00 -1.34 -2.80 115.15 112.36 1pg8 h HIS 366 Ca 0.17 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1pg8 h HIS 366 Cb 0.17 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 1pg8 h HIS 366 CO 0.01 0.41 0.00 0.66 -0.00 0.00 0.00 177.93 179.01 1pg8 n TYR 367 N -4.62 1.62 -0.98 5.26 4.02 -0.95 -4.91 117.16 116.60 1pg8 n TYR 367 Ca 0.19 -0.57 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 1pg8 n TYR 367 Cb 0.39 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 1pg8 n TYR 367 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pg8 n GLY 368 N 0.53 0.57 3.35 2.72 0.00 -1.06 -4.97 105.19 106.33 1pg8 n GLY 368 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 1pg8 n GLY 368 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pg8 s ILE 369 N -2.38 5.05 0.71 -0.61 1.01 -0.24 -4.78 121.20 119.96 1pg8 s ILE 369 Ca 0.00 -1.20 -0.16 0.00 0.00 0.00 0.00 60.65 59.28 1pg8 s ILE 369 Cb 0.00 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.43 1pg8 s ILE 369 CO 0.00 -0.62 1.26 -0.24 0.00 0.00 0.00 174.94 175.34 1pg8 n SER 370 N 5.16 1.69 0.23 3.58 2.88 -1.26 -3.74 113.62 122.15 1pg8 n SER 370 Ca -0.12 0.74 0.08 0.00 -1.33 0.00 0.00 58.87 58.23 1pg8 n SER 370 Cb 0.43 -1.54 0.54 0.00 -0.75 0.00 0.00 64.21 62.89 1pg8 n SER 370 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1pg8 h GLU 371 N -0.03 0.00 -0.54 -1.46 4.39 -1.94 -3.07 114.58 111.93 1pg8 h GLU 371 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1pg8 h GLU 371 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1pg8 h GLU 371 CO 0.50 0.22 0.00 0.41 -1.16 0.00 0.00 179.01 178.98 1pg8 n GLY 372 N -0.62 2.72 3.68 -3.84 0.00 -1.26 -2.66 105.19 103.21 1pg8 n GLY 372 Ca -0.02 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 1pg8 n GLY 372 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pg8 s LEU 373 N -1.20 4.22 -0.08 0.99 2.96 -1.16 -1.12 118.68 123.29 1pg8 s LEU 373 Ca 0.38 1.63 0.05 0.00 -0.22 0.00 0.00 54.13 55.97 1pg8 s LEU 373 Cb 0.21 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.35 1pg8 s LEU 373 CO 0.24 -0.58 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.75 1pg8 s VAL 374 N 2.53 2.08 -0.14 1.68 1.01 0.07 -3.99 120.40 123.64 1pg8 s VAL 374 Ca 0.51 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1pg8 s VAL 374 Cb -0.20 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1pg8 s VAL 374 CO 0.17 0.56 -0.01 -0.60 0.00 0.00 0.00 175.10 175.22 1pg8 s ARG 375 N 0.12 3.53 -0.13 2.72 3.52 0.44 -1.33 118.95 127.83 1pg8 s ARG 375 Ca -0.12 -0.45 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 1pg8 s ARG 375 Cb -0.16 -2.94 0.01 0.00 -1.56 0.00 0.00 34.95 30.30 1pg8 s ARG 375 CO 0.07 0.39 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.21 1pg8 s LEU 376 N -0.01 2.13 -0.61 -0.88 1.43 0.61 -1.07 118.68 120.28 1pg8 s LEU 376 Ca 0.02 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.36 1pg8 s LEU 376 Cb -0.13 -1.44 0.11 0.00 0.03 0.00 0.00 46.19 44.76 1pg8 s LEU 376 CO 0.02 0.10 0.70 -0.55 0.23 0.00 0.00 176.35 176.85 1pg8 s SER 377 N 0.69 6.22 -0.04 2.29 0.15 0.17 -1.35 113.70 121.82 1pg8 s SER 377 Ca -0.10 -1.54 -0.30 0.00 0.70 0.00 0.00 55.95 54.71 1pg8 s SER 377 Cb -0.16 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1pg8 s SER 377 CO 0.01 -1.07 1.34 -0.69 1.20 0.00 0.00 173.24 174.03 1pg8 s VAL 378 N 2.49 3.94 0.00 4.45 1.01 -0.46 -1.35 120.40 130.48 1pg8 s VAL 378 Ca 0.11 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1pg8 s VAL 378 Cb -0.24 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1pg8 s VAL 378 CO 0.05 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1pg8 n GLY 379 N 3.59 1.13 0.82 4.51 0.00 -1.26 -4.80 105.19 109.18 1pg8 n GLY 379 Ca 0.13 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.36 1pg8 n GLY 379 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pg8 n LEU 380 N 0.00 2.57 -4.67 0.99 4.77 -0.03 -4.60 117.00 116.03 1pg8 n LEU 380 Ca 0.00 -0.86 -0.31 0.00 -0.03 0.00 0.00 56.01 54.81 1pg8 n LEU 380 Cb 0.00 -0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.25 1pg8 n LEU 380 CO 0.00 0.43 0.68 -1.61 -1.33 0.00 0.00 177.39 175.56 1pg8 s GLU 381 N -2.01 1.03 0.13 3.23 8.01 -1.26 -4.92 118.70 122.91 1pg8 s GLU 381 Ca 0.31 1.53 -0.35 0.00 0.01 0.00 0.00 54.97 56.47 1pg8 s GLU 381 Cb 0.20 -1.73 -0.16 0.00 -4.31 0.00 0.00 34.13 28.14 1pg8 s GLU 381 CO 0.31 -2.62 1.36 -3.47 0.01 0.00 0.00 175.26 170.85 1pg8 n ASP 382 N -4.23 1.97 0.08 -0.19 2.03 -1.26 -4.89 116.55 110.06 1pg8 n ASP 382 Ca 0.12 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.55 1pg8 n ASP 382 Cb 0.52 -1.26 0.32 0.00 -0.72 0.00 0.00 41.12 39.98 1pg8 n ASP 382 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1pg8 h ILE 383 N 3.22 1.22 -0.59 5.18 -0.00 -1.96 -2.39 117.51 122.19 1pg8 h ILE 383 Ca -0.46 -0.98 -0.04 0.00 -0.00 0.00 0.00 64.86 63.38 1pg8 h ILE 383 Cb 1.32 1.27 -0.03 0.00 -0.00 0.00 0.00 36.82 39.38 1pg8 h ILE 383 CO 0.78 0.31 0.21 0.44 -0.00 0.00 0.00 178.15 179.88 1pg8 h ASP 384 N 0.29 0.80 -0.54 2.16 3.45 -1.99 0.64 116.42 121.24 1pg8 h ASP 384 Ca 0.05 -0.12 -0.09 0.00 0.43 0.00 0.00 57.03 57.31 1pg8 h ASP 384 Cb 0.48 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 1pg8 h ASP 384 CO 0.03 0.74 -0.02 0.44 -1.57 0.00 0.00 179.24 178.87 1pg8 h ASP 385 N 0.86 0.95 -0.50 6.45 3.32 -1.82 -1.91 116.42 123.76 1pg8 h ASP 385 Ca 0.20 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 1pg8 h ASP 385 Cb 0.21 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1pg8 h ASP 385 CO -0.01 1.03 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.44 1pg8 h LEU 386 N 0.84 0.89 -0.53 1.55 3.38 -1.01 -2.22 115.31 118.22 1pg8 h LEU 386 Ca 0.15 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1pg8 h LEU 386 Cb 0.56 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1pg8 h LEU 386 CO 0.03 1.00 0.32 -0.07 0.09 0.00 0.00 178.44 179.81 1pg8 h LEU 387 N 0.77 0.53 -1.14 1.67 3.38 -0.87 -0.52 115.31 119.13 1pg8 h LEU 387 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1pg8 h LEU 387 Cb 0.56 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1pg8 h LEU 387 CO 0.03 0.38 0.32 0.00 0.09 0.00 0.00 178.44 179.25 1pg8 h ALA 388 N 1.22 1.33 -0.07 1.53 0.00 -1.21 -0.19 119.26 121.87 1pg8 h ALA 388 Ca 0.21 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1pg8 h ALA 388 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1pg8 h ALA 388 CO -0.08 0.52 -0.82 0.22 0.00 0.00 0.00 179.25 179.09 1pg8 h ASP 389 N 0.92 0.66 0.14 0.00 -0.00 -1.10 -2.78 116.42 114.25 1pg8 h ASP 389 Ca 0.23 -0.46 -0.22 0.00 -0.00 0.00 0.00 57.03 56.57 1pg8 h ASP 389 Cb 0.09 -0.20 0.01 0.00 -0.00 0.00 0.00 39.33 39.23 1pg8 h ASP 389 CO -0.03 1.24 -0.87 0.58 -0.00 0.00 0.00 179.24 180.16 1pg8 h VAL 390 N 0.35 1.34 -0.63 2.25 2.07 -0.60 -2.69 116.25 118.34 1pg8 h VAL 390 Ca -0.06 -2.22 -0.08 0.00 0.82 0.00 0.00 66.70 65.16 1pg8 h VAL 390 Cb 1.43 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 1pg8 h VAL 390 CO 0.15 0.68 0.08 -0.61 0.02 0.00 0.00 177.57 177.89 1pg8 h GLN 391 N 0.35 1.06 -0.19 1.57 4.15 -1.04 -0.13 115.11 120.87 1pg8 h GLN 391 Ca -0.07 -0.29 -0.15 0.00 0.77 0.00 0.00 58.65 58.91 1pg8 h GLN 391 Cb 1.49 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.05 1pg8 h GLN 391 CO 0.16 0.99 -0.50 0.37 -1.93 0.00 0.00 178.83 177.93 1pg8 h GLN 392 N 0.97 0.50 0.09 1.69 -0.00 -1.51 -2.46 115.11 114.38 1pg8 h GLN 392 Ca 0.19 -0.29 -0.26 0.00 -0.00 0.00 0.00 58.65 58.29 1pg8 h GLN 392 Cb 0.46 0.02 0.01 0.00 0.00 0.00 0.00 27.48 27.97 1pg8 h GLN 392 CO 0.02 0.88 -1.14 0.00 0.00 0.00 0.00 178.83 178.59 1pg8 h ALA 393 N 1.07 0.18 -0.54 3.38 0.00 -1.23 -2.64 119.26 119.47 1pg8 h ALA 393 Ca 0.02 -0.81 0.07 0.00 0.00 0.00 0.00 54.91 54.19 1pg8 h ALA 393 Cb 1.01 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1pg8 h ALA 393 CO 0.09 0.88 0.23 -0.07 0.00 0.00 0.00 179.25 180.38 1pg8 h LEU 394 N 0.14 0.27 -0.42 0.00 3.38 -0.94 -2.01 115.31 115.74 1pg8 h LEU 394 Ca -0.12 0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1pg8 h LEU 394 Cb 1.83 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.56 1pg8 h LEU 394 CO 0.19 0.18 0.19 0.11 0.09 0.00 0.00 178.44 179.21 1pg8 h LYS 395 N 0.43 0.38 0.00 1.13 1.79 -1.31 0.17 116.57 119.16 1pg8 h LYS 395 Ca 0.26 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1pg8 h LYS 395 Cb 0.25 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1pg8 h LYS 395 CO -0.23 0.25 0.00 0.00 -1.08 0.00 0.00 179.45 178.39 1pg8 n ALA 396 N -2.32 1.39 0.07 3.86 0.00 -1.01 -3.14 120.51 119.37 1pg8 n ALA 396 Ca 0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 1pg8 n ALA 396 Cb 0.12 -1.15 0.05 0.00 0.00 0.00 0.00 19.45 18.47 1pg8 n ALA 396 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pg8 h SER 397 N 0.00 0.36 0.00 0.00 4.64 -0.20 -3.41 113.55 114.93 1pg8 h SER 397 Ca 0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1pg8 h SER 397 Cb 0.15 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1pg8 h SER 397 CO 0.00 0.95 0.00 0.00 -0.87 0.00 0.00 176.83 176.91