#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ea8 n GLY 2 N 0.00 -0.17 3.28 0.46 0.00 -1.26 -5.05 105.19 102.45 3ea8 n GLY 2 Ca 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 3ea8 n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ea8 s PHE 3 N -2.56 -0.68 0.03 1.61 5.36 -1.26 -4.96 117.98 115.52 3ea8 s PHE 3 Ca 0.00 1.39 -0.01 0.00 -0.96 0.00 0.00 56.93 57.36 3ea8 s PHE 3 Cb 0.00 0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.94 3ea8 s PHE 3 CO 0.00 -0.40 -0.02 1.03 -1.46 0.00 0.00 175.22 174.37 3ea8 s ARG 4 N 1.83 0.42 -0.51 10.12 0.52 -1.26 -5.07 118.95 125.00 3ea8 s ARG 4 Ca -0.07 -0.81 -0.26 0.00 -0.52 0.00 0.00 55.73 54.07 3ea8 s ARG 4 Cb -0.10 0.15 -0.06 0.00 0.52 0.00 0.00 34.95 35.47 3ea8 s ARG 4 CO -0.13 -0.07 2.25 0.15 0.02 0.00 0.00 175.30 177.52 3ea8 s LYS 5 N -2.30 2.29 -0.20 3.54 -0.14 -1.26 -4.93 119.74 116.73 3ea8 s LYS 5 Ca -0.08 1.23 -0.08 0.00 -1.36 0.00 0.00 55.97 55.68 3ea8 s LYS 5 Cb -0.04 -4.52 -0.04 0.00 -1.68 0.00 0.00 37.83 31.55 3ea8 s LYS 5 CO -0.04 -3.08 0.08 -1.64 -0.76 0.00 0.00 175.35 169.92 3ea8 s MET 6 N 7.85 3.95 0.30 1.68 -1.94 -1.26 -4.80 119.30 125.07 3ea8 s MET 6 Ca 0.90 -0.35 -0.01 0.00 -1.71 0.00 0.00 55.69 54.51 3ea8 s MET 6 Cb -0.17 -3.30 -0.04 0.00 2.01 0.00 0.00 34.83 33.33 3ea8 s MET 6 CO 0.25 0.16 0.52 0.00 -0.01 0.00 0.00 175.02 175.94 3ea8 s ALA 7 N 0.70 3.70 0.45 3.03 0.00 -1.26 -4.82 121.76 123.56 3ea8 s ALA 7 Ca 0.04 -0.78 -0.23 0.00 0.00 0.00 0.00 51.96 51.00 3ea8 s ALA 7 Cb -0.13 -2.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.76 3ea8 s ALA 7 CO 0.02 0.16 1.09 -0.06 0.00 0.00 0.00 175.76 176.97 3ea8 s PHE 8 N -2.15 3.03 0.21 0.00 0.08 -1.26 -4.97 117.98 112.92 3ea8 s PHE 8 Ca 0.41 1.59 -0.32 0.00 0.12 0.00 0.00 56.93 58.72 3ea8 s PHE 8 Cb -0.10 -3.22 -0.14 0.00 -0.57 0.00 0.00 43.02 38.99 3ea8 s PHE 8 CO 0.33 -1.05 1.38 -2.30 -0.10 0.00 0.00 175.22 173.48 3ea8 n PRO 9 N -0.49 1.87 -0.17 0.24 -0.02 -1.26 -4.87 135.00 130.30 3ea8 n PRO 9 Ca 0.07 0.67 0.11 0.00 -2.02 0.00 0.00 63.50 62.33 3ea8 n PRO 9 Cb 0.50 -2.31 0.27 0.00 -0.02 0.00 0.00 33.50 31.94 3ea8 n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3ea8 n SER 10 N 2.30 2.84 0.07 2.55 3.41 -1.26 -4.60 113.62 118.92 3ea8 n SER 10 Ca 0.13 -1.91 -0.11 0.00 -0.26 0.00 0.00 58.87 56.72 3ea8 n SER 10 Cb 0.29 -0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 3ea8 n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ea8 h GLY 11 N 4.73 -0.26 1.41 5.00 0.00 -2.00 -0.09 103.07 111.86 3ea8 h GLY 11 Ca 0.00 0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.62 3ea8 h GLY 11 CO 0.00 -0.17 0.22 0.50 0.00 0.00 0.00 176.54 177.09 3ea8 h LYS 12 N -0.30 0.00 0.11 4.80 1.57 -1.96 -2.51 116.57 118.27 3ea8 h LYS 12 Ca 0.05 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.50 3ea8 h LYS 12 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3ea8 h LYS 12 CO -0.15 0.00 -1.76 0.28 -0.57 0.00 0.00 179.45 177.24 3ea8 h VAL 13 N 0.00 0.88 -0.91 0.50 2.07 -1.69 -3.34 116.25 113.75 3ea8 h VAL 13 Ca 0.13 -2.58 0.12 0.00 0.82 0.00 0.00 66.70 65.20 3ea8 h VAL 13 Cb 0.57 2.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.88 3ea8 h VAL 13 CO -0.00 0.79 0.59 -0.33 0.02 0.00 0.00 177.57 178.64 3ea8 h GLU 14 N 0.06 0.79 0.00 1.57 5.08 -0.60 0.49 114.58 121.97 3ea8 h GLU 14 Ca -0.33 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3ea8 h GLU 14 Cb 2.03 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.11 3ea8 h GLU 14 CO 0.12 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 179.07 3ea8 n GLY 15 N -1.41 -0.54 0.18 -3.84 0.00 -1.11 -2.53 105.19 95.95 3ea8 n GLY 15 Ca 0.17 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.21 3ea8 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ea8 s MET 17 N -1.60 4.59 0.32 0.00 -1.94 -1.05 -0.15 119.30 119.47 3ea8 s MET 17 Ca 0.08 1.25 0.03 0.00 -1.71 0.00 0.00 55.69 55.34 3ea8 s MET 17 Cb 0.09 -3.38 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 3ea8 s MET 17 CO 0.32 0.22 0.15 0.14 -0.01 0.00 0.00 175.02 175.83 3ea8 s VAL 18 N 0.09 0.42 -0.12 -6.03 -7.23 -0.70 -4.79 120.40 102.05 3ea8 s VAL 18 Ca 0.43 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.57 3ea8 s VAL 18 Cb -0.22 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 3ea8 s VAL 18 CO 0.26 0.00 -0.01 -1.58 -0.31 0.00 0.00 175.10 173.47 3ea8 s GLN 19 N -3.82 3.37 -0.11 4.82 0.74 -0.23 -0.88 119.66 123.55 3ea8 s GLN 19 Ca 0.34 -0.44 0.02 0.00 0.05 0.00 0.00 55.36 55.33 3ea8 s GLN 19 Cb 0.05 -2.89 0.01 0.00 1.10 0.00 0.00 33.01 31.28 3ea8 s GLN 19 CO 0.17 0.47 -0.15 0.08 -0.55 0.00 0.00 175.29 175.31 3ea8 s VAL 20 N -0.25 1.50 -0.04 1.34 1.01 0.18 -1.30 120.40 122.84 3ea8 s VAL 20 Ca 0.05 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.45 3ea8 s VAL 20 Cb -0.12 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3ea8 s VAL 20 CO 0.02 0.44 -0.22 -0.89 0.00 0.00 0.00 175.10 174.45 3ea8 s THR 21 N 1.00 1.77 -0.07 3.92 2.01 -0.30 -1.32 115.64 122.65 3ea8 s THR 21 Ca -0.06 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 60.99 3ea8 s THR 21 Cb -0.15 -1.49 0.04 0.00 0.01 0.00 0.00 72.50 70.91 3ea8 s THR 21 CO -0.02 0.50 0.08 0.00 -0.69 0.00 0.00 174.62 174.49 3ea8 n GLY 23 N 5.30 1.94 0.62 0.00 0.00 -1.26 -1.82 105.19 109.97 3ea8 n GLY 23 Ca -0.04 0.38 0.07 0.00 0.00 0.00 0.00 46.02 46.43 3ea8 n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3ea8 n THR 24 N 0.00 0.09 -4.23 2.61 5.66 -1.26 -4.94 114.28 112.21 3ea8 n THR 24 Ca 0.00 -0.55 -0.34 0.00 -3.05 0.00 0.00 64.05 60.11 3ea8 n THR 24 Cb 0.00 1.24 -0.11 0.00 -1.55 0.00 0.00 70.33 69.91 3ea8 n THR 24 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3ea8 s THR 25 N -1.22 4.30 -0.06 1.09 2.01 -0.76 -5.10 115.64 115.91 3ea8 s THR 25 Ca 0.19 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.02 3ea8 s THR 25 Cb 0.13 -2.91 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 3ea8 s THR 25 CO 0.19 0.48 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.51 3ea8 s THR 26 N 0.32 1.70 0.25 -0.82 2.01 -1.26 -1.46 115.64 116.37 3ea8 s THR 26 Ca -0.01 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 3ea8 s THR 26 Cb -0.13 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 70.93 3ea8 s THR 26 CO 0.02 0.48 0.36 0.00 -0.69 0.00 0.00 174.62 174.79 3ea8 n LEU 27 N 3.21 0.00 -4.88 4.42 -0.00 -0.43 -4.85 117.00 114.47 3ea8 n LEU 27 Ca -0.19 -2.01 -0.32 0.00 -0.00 0.00 0.00 56.01 53.50 3ea8 n LEU 27 Cb 0.53 1.87 -0.05 0.00 -0.00 0.00 0.00 43.42 45.76 3ea8 n LEU 27 CO 0.26 -0.47 0.15 0.20 -0.00 0.00 0.00 177.39 177.52 3ea8 s ASN 28 N -2.53 6.58 0.27 1.45 0.01 -0.25 -0.65 114.94 119.82 3ea8 s ASN 28 Ca 0.20 0.81 0.04 0.00 -0.71 0.00 0.00 52.86 53.20 3ea8 s ASN 28 Cb -0.01 -2.18 -0.06 0.00 0.41 0.00 0.00 41.25 39.41 3ea8 s ASN 28 CO 0.14 -0.03 0.00 -0.83 -1.51 0.00 0.00 177.10 174.88 3ea8 s GLY 29 N -2.37 1.75 -0.23 0.66 0.00 -0.06 -4.16 107.32 102.90 3ea8 s GLY 29 Ca 0.45 -1.87 -0.02 0.00 0.00 0.00 0.00 44.72 43.27 3ea8 s GLY 29 CO 0.22 -1.74 -0.06 -2.27 0.00 0.00 0.00 173.10 169.25 3ea8 s LEU 30 N -3.38 3.02 -0.48 0.66 2.96 0.16 -1.71 118.68 119.90 3ea8 s LEU 30 Ca 0.31 -0.67 -0.13 0.00 -0.22 0.00 0.00 54.13 53.42 3ea8 s LEU 30 Cb 0.06 -1.68 0.10 0.00 0.50 0.00 0.00 46.19 45.16 3ea8 s LEU 30 CO 0.11 -0.08 0.39 0.86 -1.32 0.00 0.00 176.35 176.31 3ea8 s TRP 31 N 1.39 3.29 -0.07 5.38 -0.00 0.79 -0.05 118.94 129.67 3ea8 s TRP 31 Ca 0.03 -1.30 0.04 0.00 -0.00 0.00 0.00 56.10 54.87 3ea8 s TRP 31 Cb -0.15 -3.34 -0.00 0.00 -0.00 0.00 0.00 33.47 29.97 3ea8 s TRP 31 CO -0.05 -0.90 -0.21 -0.51 -0.00 0.00 0.00 176.95 175.28 3ea8 s LEU 32 N 1.54 1.98 0.00 5.86 1.43 -0.46 -4.65 118.68 124.39 3ea8 s LEU 32 Ca 0.04 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 3ea8 s LEU 32 Cb -0.26 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.74 3ea8 s LEU 32 CO 0.04 0.17 0.00 0.47 0.23 0.00 0.00 176.35 177.25 3ea8 n ASP 33 N 3.30 0.00 -1.27 2.29 8.00 -1.26 -1.14 116.55 126.48 3ea8 n ASP 33 Ca -0.19 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.34 3ea8 n ASP 33 Cb 0.52 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.89 3ea8 n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3ea8 n ASP 34 N 4.63 3.94 -4.23 -2.24 5.68 -1.26 -0.60 116.55 122.47 3ea8 n ASP 34 Ca 0.00 -3.22 -0.27 0.00 -0.50 0.00 0.00 54.79 50.80 3ea8 n ASP 34 Cb 0.00 -0.62 -0.15 0.00 -1.14 0.00 0.00 41.12 39.21 3ea8 n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3ea8 s THR 35 N -2.95 1.67 -0.18 2.12 2.01 -0.29 -0.50 115.64 117.52 3ea8 s THR 35 Ca 0.47 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 3ea8 s THR 35 Cb 0.38 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 3ea8 s THR 35 CO 0.09 0.45 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.67 3ea8 s VAL 36 N -0.53 3.04 -0.16 3.82 1.01 0.55 -1.36 120.40 126.78 3ea8 s VAL 36 Ca 0.08 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 3ea8 s VAL 36 Cb -0.08 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3ea8 s VAL 36 CO -0.01 0.48 0.07 -0.31 0.00 0.00 0.00 175.10 175.34 3ea8 s TYR 37 N 1.00 3.31 0.21 5.22 2.02 0.93 -0.23 117.35 129.81 3ea8 s TYR 37 Ca -0.01 0.19 -0.11 0.00 -0.37 0.00 0.00 57.07 56.77 3ea8 s TYR 37 Cb -0.15 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 3ea8 s TYR 37 CO -0.01 0.31 0.39 0.00 -1.57 0.00 0.00 175.55 174.66 3ea8 s PRO 39 N -4.01 4.34 0.58 0.00 0.02 -1.26 -0.09 135.00 134.58 3ea8 s PRO 39 Ca 0.21 2.17 0.36 0.00 0.02 0.00 0.00 61.00 63.77 3ea8 s PRO 39 Cb 0.01 -3.14 1.66 0.00 0.02 0.00 0.00 34.50 33.06 3ea8 s PRO 39 CO 0.06 -0.29 2.10 0.07 -0.33 0.00 0.00 177.00 178.60 3ea8 h ARG 40 N 4.77 0.00 0.00 5.54 0.11 -1.61 -2.69 114.38 120.50 3ea8 h ARG 40 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 3ea8 h ARG 40 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 3ea8 h ARG 40 CO 0.75 0.02 0.00 -2.39 0.10 0.00 0.00 179.97 178.45 3ea8 n HIS 41 N -3.15 0.00 0.31 4.08 1.44 -1.26 -1.85 115.22 114.79 3ea8 n HIS 41 Ca -0.01 0.00 0.20 0.00 -2.01 0.00 0.00 57.72 55.90 3ea8 n HIS 41 Cb 0.24 0.00 0.96 0.00 0.12 0.00 0.00 29.99 31.31 3ea8 n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 3ea8 h VAL 42 N 0.00 0.00 -0.32 0.61 3.04 -1.88 -2.53 116.25 115.18 3ea8 h VAL 42 Ca 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 3ea8 h VAL 42 Cb 0.00 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 3ea8 h VAL 42 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.57 178.86 3ea8 n ILE 43 N -3.03 0.41 -3.98 3.17 -5.35 -0.77 -4.44 119.36 105.37 3ea8 n ILE 43 Ca -0.01 -0.52 -0.32 0.00 -0.27 0.00 0.00 62.75 61.63 3ea8 n ILE 43 Cb 0.17 0.47 -0.05 0.00 -1.74 0.00 0.00 39.64 38.49 3ea8 n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ea8 s THR 45 N -1.37 3.43 0.22 0.00 -4.23 -1.26 -4.83 115.64 107.60 3ea8 s THR 45 Ca 0.29 -0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 60.34 3ea8 s THR 45 Cb -0.13 -3.32 0.23 0.00 1.34 0.00 0.00 72.50 70.62 3ea8 s THR 45 CO 0.22 -0.27 1.65 0.00 -0.54 0.00 0.00 174.62 175.67 3ea8 h ALA 46 N 0.05 0.61 0.00 3.99 0.00 -1.99 -1.05 119.26 120.87 3ea8 h ALA 46 Ca -0.45 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 3ea8 h ALA 46 Cb 1.27 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 3ea8 h ALA 46 CO 0.58 -0.41 -0.57 1.05 0.00 0.00 0.00 179.25 179.90 3ea8 h GLU 47 N 0.09 0.00 -0.67 0.00 4.11 -2.03 -3.01 114.58 113.06 3ea8 h GLU 47 Ca 0.34 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.89 3ea8 h GLU 47 Cb 0.56 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 3ea8 h GLU 47 CO -0.59 0.57 0.22 -0.44 0.07 0.00 0.00 179.01 178.84 3ea8 h ASP 48 N 0.00 0.17 -0.25 3.06 3.32 -1.58 -2.31 116.42 118.83 3ea8 h ASP 48 Ca -0.01 0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.22 3ea8 h ASP 48 Cb 1.35 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 3ea8 h ASP 48 CO 0.07 0.08 0.23 0.24 -1.72 0.00 0.00 179.24 178.14 3ea8 h MET 49 N 0.37 0.00 -0.19 3.56 2.86 -1.29 -1.53 114.93 118.72 3ea8 h MET 49 Ca 0.36 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.00 3ea8 h MET 49 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3ea8 h MET 49 CO -0.39 0.00 0.10 -0.07 1.06 0.00 0.00 176.91 177.62 3ea8 h LEU 50 N 0.00 0.22 -5.00 1.22 3.38 -1.56 0.27 115.31 113.85 3ea8 h LEU 50 Ca 0.12 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 3ea8 h LEU 50 Cb 0.57 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.13 3ea8 h LEU 50 CO -0.00 0.19 -0.36 -3.20 0.09 0.00 0.00 178.44 175.16 3ea8 n ASN 51 N -4.48 -2.44 -4.81 -0.43 5.15 -0.65 -4.57 115.26 103.03 3ea8 n ASN 51 Ca -0.00 -2.86 -0.34 0.00 -0.60 0.00 0.00 54.58 50.78 3ea8 n ASN 51 Cb 0.09 1.51 -0.06 0.00 -0.53 0.00 0.00 39.78 40.79 3ea8 n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ea8 s PRO 52 N 0.53 4.10 -0.38 1.20 0.05 -0.74 -5.01 135.00 134.75 3ea8 s PRO 52 Ca 0.30 1.23 -0.00 0.00 0.05 0.00 0.00 61.00 62.58 3ea8 s PRO 52 Cb 0.22 -2.20 0.11 0.00 0.05 0.00 0.00 34.50 32.67 3ea8 s PRO 52 CO -0.20 -0.15 0.14 1.21 0.05 0.00 0.00 177.00 178.05 3ea8 s ASN 53 N -2.05 5.07 0.33 6.66 3.84 -1.26 -4.99 114.94 122.54 3ea8 s ASN 53 Ca 0.63 -2.07 0.04 0.00 0.21 0.00 0.00 52.86 51.66 3ea8 s ASN 53 Cb -0.13 -1.75 0.60 0.00 -0.55 0.00 0.00 41.25 39.42 3ea8 s ASN 53 CO 0.17 -0.48 1.89 1.88 -2.79 0.00 0.00 177.10 177.76 3ea8 h TYR 54 N 7.88 0.59 -0.20 0.43 0.05 -1.98 0.29 116.97 124.04 3ea8 h TYR 54 Ca -0.10 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 3ea8 h TYR 54 Cb 1.04 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 3ea8 h TYR 54 CO 0.52 0.54 0.09 0.93 -1.05 0.00 0.00 178.16 179.19 3ea8 h GLU 55 N 0.56 0.29 -0.48 4.88 3.07 -1.99 -0.20 114.58 120.71 3ea8 h GLU 55 Ca 0.13 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.84 3ea8 h GLU 55 Cb 0.28 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3ea8 h GLU 55 CO 0.00 0.34 -0.09 0.22 -1.40 0.00 0.00 179.01 178.08 3ea8 h ASP 56 N 0.18 0.86 0.33 1.42 3.58 -1.67 -2.70 116.42 118.41 3ea8 h ASP 56 Ca 0.07 -0.26 -0.15 0.00 0.42 0.00 0.00 57.03 57.11 3ea8 h ASP 56 Cb 0.15 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 3ea8 h ASP 56 CO -0.01 0.97 -0.63 -0.07 -2.88 0.00 0.00 179.24 176.63 3ea8 h LEU 57 N 0.79 0.33 0.05 2.28 3.38 -0.27 -3.30 115.31 118.56 3ea8 h LEU 57 Ca 0.13 -0.19 -0.26 0.00 0.09 0.00 0.00 57.88 57.65 3ea8 h LEU 57 Cb 0.59 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ea8 h LEU 57 CO 0.04 0.87 -1.17 0.25 0.09 0.00 0.00 178.44 178.52 3ea8 h LEU 58 N 0.21 0.46 -2.28 1.67 5.85 -0.91 -3.15 115.31 117.16 3ea8 h LEU 58 Ca -0.01 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 3ea8 h LEU 58 Cb 1.15 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3ea8 h LEU 58 CO 0.10 1.33 -0.04 -0.29 -0.34 0.00 0.00 178.44 179.19 3ea8 h ILE 59 N 0.11 0.56 -0.00 4.05 6.09 -1.56 -0.75 117.51 126.00 3ea8 h ILE 59 Ca -0.12 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3ea8 h ILE 59 Cb 1.87 1.11 0.00 0.00 0.47 0.00 0.00 36.82 40.28 3ea8 h ILE 59 CO 0.19 0.04 -0.00 0.54 -3.07 0.00 0.00 178.15 175.85 3ea8 n ARG 60 N -3.81 1.01 -4.34 2.19 1.74 -1.19 -4.83 116.66 107.43 3ea8 n ARG 60 Ca -0.03 -0.07 -0.26 0.00 -0.77 0.00 0.00 57.85 56.72 3ea8 n ARG 60 Cb 0.13 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.98 3ea8 n ARG 60 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3ea8 s LYS 61 N -2.04 1.90 0.45 5.56 1.02 -0.29 -5.13 119.74 121.20 3ea8 s LYS 61 Ca 0.46 -1.38 0.05 0.00 0.02 0.00 0.00 55.97 55.12 3ea8 s LYS 61 Cb 0.22 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.43 3ea8 s LYS 61 CO 0.38 0.42 0.06 -1.54 -0.92 0.00 0.00 175.35 173.74 3ea8 s SER 62 N -2.86 4.10 0.33 2.83 1.04 -1.26 -5.00 113.70 112.87 3ea8 s SER 62 Ca 0.24 -1.40 0.07 0.00 0.48 0.00 0.00 55.95 55.35 3ea8 s SER 62 Cb -0.08 -0.09 0.78 0.00 0.10 0.00 0.00 66.02 66.72 3ea8 s SER 62 CO 0.14 -0.63 1.81 0.78 0.98 0.00 0.00 173.24 176.32 3ea8 h ASN 63 N 1.52 0.73 0.16 7.02 2.35 -1.93 0.13 115.58 125.56 3ea8 h ASN 63 Ca -0.43 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3ea8 h ASN 63 Cb 1.27 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3ea8 h ASN 63 CO 0.76 0.30 -0.00 0.00 -1.65 0.00 0.00 177.43 176.83 3ea8 n HIS 64 N -4.67 0.00 0.28 1.19 1.44 -1.26 -2.78 115.22 109.42 3ea8 n HIS 64 Ca 0.21 0.00 0.17 0.00 -2.01 0.00 0.00 57.72 56.09 3ea8 n HIS 64 Cb 0.55 -0.08 0.71 0.00 0.12 0.00 0.00 29.99 31.28 3ea8 n HIS 64 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 3ea8 h SER 65 N 0.12 0.00 -3.26 4.39 0.02 -1.12 -3.44 113.55 110.26 3ea8 h SER 65 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 3ea8 h SER 65 Cb 0.11 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.50 3ea8 h SER 65 CO 0.00 0.02 -0.61 -0.36 -1.14 0.00 0.00 176.83 174.74 3ea8 s PHE 66 N -3.71 3.20 -0.22 3.45 0.08 -1.12 -4.22 117.98 115.44 3ea8 s PHE 66 Ca 0.01 0.22 0.02 0.00 0.12 0.00 0.00 56.93 57.29 3ea8 s PHE 66 Cb 0.09 -1.81 0.05 0.00 -0.57 0.00 0.00 43.02 40.78 3ea8 s PHE 66 CO 0.54 0.48 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.86 3ea8 s LEU 67 N -0.86 2.71 -0.23 -0.37 2.96 -0.09 -4.80 118.68 118.00 3ea8 s LEU 67 Ca 0.13 -1.07 -0.06 0.00 -0.22 0.00 0.00 54.13 52.91 3ea8 s LEU 67 Cb -0.11 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 3ea8 s LEU 67 CO 0.02 -0.15 0.04 -0.69 -1.32 0.00 0.00 176.35 174.26 3ea8 s VAL 68 N 1.27 4.15 -0.12 1.68 1.01 -1.26 -1.15 120.40 125.99 3ea8 s VAL 68 Ca -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3ea8 s VAL 68 Cb -0.17 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 3ea8 s VAL 68 CO -0.08 0.38 -0.16 -1.10 0.00 0.00 0.00 175.10 174.14 3ea8 s GLN 69 N 1.33 3.27 -0.36 2.72 -0.21 -0.42 -0.41 119.66 125.58 3ea8 s GLN 69 Ca 0.05 -0.74 -0.01 0.00 0.02 0.00 0.00 55.36 54.67 3ea8 s GLN 69 Cb -0.15 -2.53 0.09 0.00 1.00 0.00 0.00 33.01 31.42 3ea8 s GLN 69 CO 0.02 0.21 0.11 0.00 -2.12 0.00 0.00 175.29 173.52 3ea8 s ALA 70 N 0.32 3.00 0.00 6.09 0.00 0.39 -1.07 121.76 130.49 3ea8 s ALA 70 Ca -0.13 -2.29 0.00 0.00 0.00 0.00 0.00 51.96 49.55 3ea8 s ALA 70 Cb -0.16 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.77 3ea8 s ALA 70 CO 0.07 -1.61 0.00 0.41 0.00 0.00 0.00 175.76 174.62 3ea8 n GLY 71 N 4.54 1.47 0.05 0.00 0.00 -1.26 -1.63 105.19 108.36 3ea8 n GLY 71 Ca -0.05 0.32 0.08 0.00 0.00 0.00 0.00 46.02 46.37 3ea8 n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ea8 n ASN 72 N 11.65 0.89 -4.70 1.61 3.02 -1.26 -4.96 115.26 121.51 3ea8 n ASN 72 Ca 0.00 -0.94 -0.36 0.00 -0.03 0.00 0.00 54.58 53.24 3ea8 n ASN 72 Cb 0.00 0.94 -0.08 0.00 -0.61 0.00 0.00 39.78 40.03 3ea8 n ASN 72 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ea8 s VAL 73 N -2.50 5.33 -0.07 2.41 1.01 -0.65 -5.06 120.40 120.87 3ea8 s VAL 73 Ca 0.07 0.36 -0.27 0.00 0.00 0.00 0.00 61.98 62.14 3ea8 s VAL 73 Cb 0.13 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 3ea8 s VAL 73 CO 0.65 0.36 0.86 -1.10 0.00 0.00 0.00 175.10 175.87 3ea8 s GLN 74 N 0.78 4.45 -0.09 2.72 -0.21 -1.26 -0.46 119.66 125.59 3ea8 s GLN 74 Ca 0.12 1.15 -0.13 0.00 0.02 0.00 0.00 55.36 56.52 3ea8 s GLN 74 Cb -0.13 -3.49 -0.05 0.00 1.00 0.00 0.00 33.01 30.35 3ea8 s GLN 74 CO 0.03 -0.09 0.32 -0.51 -2.12 0.00 0.00 175.29 172.92 3ea8 s LEU 75 N 1.26 4.35 -0.15 2.90 1.43 0.45 -4.98 118.68 123.95 3ea8 s LEU 75 Ca 0.44 0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 53.93 3ea8 s LEU 75 Cb -0.19 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 3ea8 s LEU 75 CO 0.20 0.23 1.00 -0.60 0.23 0.00 0.00 176.35 177.41 3ea8 s ARG 76 N -0.33 4.36 0.10 1.70 3.52 -1.26 -4.20 118.95 122.84 3ea8 s ARG 76 Ca 0.19 1.34 -0.28 0.00 -0.13 0.00 0.00 55.73 56.85 3ea8 s ARG 76 Cb -0.14 -3.58 -0.06 0.00 -1.56 0.00 0.00 34.95 29.61 3ea8 s ARG 76 CO 0.08 -0.42 0.88 0.08 -0.81 0.00 0.00 175.30 175.11 3ea8 s VAL 77 N 2.40 4.53 -0.02 7.11 1.01 -1.26 -0.26 120.40 133.92 3ea8 s VAL 77 Ca 0.46 1.90 0.13 0.00 0.00 0.00 0.00 61.98 64.46 3ea8 s VAL 77 Cb -0.17 -4.24 0.22 0.00 0.00 0.00 0.00 36.38 32.19 3ea8 s VAL 77 CO 0.14 0.36 1.09 2.30 0.00 0.00 0.00 175.10 178.99 3ea8 n ILE 78 N 2.60 0.22 0.00 2.22 -5.35 0.31 -4.74 119.36 114.63 3ea8 n ILE 78 Ca -0.00 -0.72 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 3ea8 n ILE 78 Cb 0.49 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 3ea8 n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ea8 n GLY 79 N 0.07 1.88 3.64 3.28 0.00 -1.22 -4.89 105.19 107.94 3ea8 n GLY 79 Ca 0.04 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 3ea8 n GLY 79 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ea8 s HIS 80 N -2.00 -0.80 0.11 1.61 -3.43 -1.26 -1.82 115.29 107.70 3ea8 s HIS 80 Ca 0.00 1.72 0.02 0.00 -0.80 0.00 0.00 55.06 56.01 3ea8 s HIS 80 Cb 0.00 0.44 -0.04 0.00 -1.43 0.00 0.00 32.58 31.54 3ea8 s HIS 80 CO 0.00 -0.39 -0.08 -1.54 -2.00 0.00 0.00 174.74 170.73 3ea8 s SER 81 N 1.00 1.29 -0.22 7.38 1.04 -0.80 -5.00 113.70 118.39 3ea8 s SER 81 Ca -0.05 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.29 3ea8 s SER 81 Cb -0.05 0.07 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 3ea8 s SER 81 CO -0.11 -0.42 0.16 -0.32 0.98 0.00 0.00 173.24 173.53 3ea8 s MET 82 N -3.73 4.14 -0.31 4.02 1.75 -1.26 -1.05 119.30 122.86 3ea8 s MET 82 Ca 0.12 -0.22 0.02 0.00 -1.25 0.00 0.00 55.69 54.37 3ea8 s MET 82 Cb 0.04 -3.48 0.08 0.00 2.84 0.00 0.00 34.83 34.31 3ea8 s MET 82 CO -0.03 0.17 -0.01 -1.14 -0.65 0.00 0.00 175.02 173.36 3ea8 s GLN 83 N 0.72 1.96 5.51 4.11 0.74 0.04 -4.98 119.66 127.76 3ea8 s GLN 83 Ca 0.08 -1.58 0.00 0.00 0.05 0.00 0.00 55.36 53.91 3ea8 s GLN 83 Cb -0.12 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.88 3ea8 s GLN 83 CO 0.02 -0.76 0.00 0.09 -0.55 0.00 0.00 175.29 174.08 3ea8 n ASN 84 N 4.40 0.00 -1.27 6.67 3.02 -1.26 -1.17 115.26 125.65 3ea8 n ASN 84 Ca -0.06 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.56 3ea8 n ASN 84 Cb 0.42 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.87 3ea8 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ea8 s LEU 86 N -1.49 3.10 -0.09 0.00 1.02 -0.31 -1.71 118.68 119.19 3ea8 s LEU 86 Ca 0.39 -0.45 -0.03 0.00 0.02 0.00 0.00 54.13 54.06 3ea8 s LEU 86 Cb 0.25 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.61 3ea8 s LEU 86 CO 0.19 0.13 0.03 -0.76 0.02 0.00 0.00 176.35 175.96 3ea8 s LEU 87 N -2.63 3.75 -0.23 1.79 1.43 0.87 -0.78 118.68 122.88 3ea8 s LEU 87 Ca 0.24 0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 3ea8 s LEU 87 Cb -0.10 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3ea8 s LEU 87 CO 0.16 0.38 -0.03 -0.13 0.23 0.00 0.00 176.35 176.96 3ea8 s ARG 88 N -0.91 3.34 -0.31 1.70 1.81 -0.22 -1.74 118.95 122.63 3ea8 s ARG 88 Ca 0.14 -0.65 -0.09 0.00 -1.72 0.00 0.00 55.73 53.41 3ea8 s ARG 88 Cb -0.11 -3.05 0.00 0.00 -0.45 0.00 0.00 34.95 31.34 3ea8 s ARG 88 CO 0.03 -0.22 0.13 -0.51 -0.68 0.00 0.00 175.30 174.04 3ea8 s LEU 89 N 1.48 4.08 0.12 2.53 1.43 0.69 -1.90 118.68 127.10 3ea8 s LEU 89 Ca 0.05 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.18 3ea8 s LEU 89 Cb -0.15 -1.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.05 3ea8 s LEU 89 CO -0.03 -0.22 1.19 -0.75 0.23 0.00 0.00 176.35 176.78 3ea8 s LYS 90 N 1.56 4.47 0.24 1.70 2.20 -0.76 -0.33 119.74 128.82 3ea8 s LYS 90 Ca 0.03 1.81 0.11 0.00 -0.36 0.00 0.00 55.97 57.56 3ea8 s LYS 90 Cb -0.17 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 3ea8 s LYS 90 CO 0.05 -0.17 -0.19 0.14 -0.36 0.00 0.00 175.35 174.82 3ea8 s VAL 91 N 0.55 2.57 -2.00 4.02 -7.23 0.34 -0.53 120.40 118.12 3ea8 s VAL 91 Ca 0.56 -2.16 0.23 0.00 -1.81 0.00 0.00 61.98 58.79 3ea8 s VAL 91 Cb -0.31 -2.30 0.64 0.00 0.56 0.00 0.00 36.38 34.98 3ea8 s VAL 91 CO 0.32 -0.26 1.73 -0.90 -0.31 0.00 0.00 175.10 175.67 3ea8 n ASP 92 N -0.24 0.00 -3.99 4.85 5.75 0.65 -4.73 116.55 118.84 3ea8 n ASP 92 Ca -0.09 -0.73 -0.20 0.00 -0.01 0.00 0.00 54.79 53.77 3ea8 n ASP 92 Cb 0.58 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.51 3ea8 n ASP 92 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3ea8 s THR 93 N -2.00 0.74 0.03 2.12 2.01 -1.26 -5.01 115.64 112.27 3ea8 s THR 93 Ca 0.34 -0.33 -0.24 0.00 0.31 0.00 0.00 61.69 61.77 3ea8 s THR 93 Cb 0.16 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.94 3ea8 s THR 93 CO 0.26 0.24 0.72 -0.55 -0.69 0.00 0.00 174.62 174.60 3ea8 s SER 94 N 0.26 7.15 -0.26 3.53 0.15 -1.26 -4.41 113.70 118.86 3ea8 s SER 94 Ca -0.04 1.37 -0.29 0.00 0.70 0.00 0.00 55.95 57.69 3ea8 s SER 94 Cb -0.09 -2.44 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 3ea8 s SER 94 CO 0.00 0.04 1.80 0.21 1.20 0.00 0.00 173.24 176.49 3ea8 s ASN 95 N -0.11 6.02 0.64 5.45 3.84 0.23 -4.85 114.94 126.17 3ea8 s ASN 95 Ca 0.36 1.54 0.41 0.00 0.21 0.00 0.00 52.86 55.38 3ea8 s ASN 95 Cb -0.20 -2.53 2.24 0.00 -0.55 0.00 0.00 41.25 40.21 3ea8 s ASN 95 CO 0.21 -1.56 2.32 -0.65 -2.79 0.00 0.00 177.10 174.63 3ea8 h PRO 96 N 12.34 0.00 -0.58 0.43 0.11 -1.94 -1.84 132.00 140.52 3ea8 h PRO 96 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3ea8 h PRO 96 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ea8 h PRO 96 CO 1.01 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.43 3ea8 n LYS 97 N -3.23 2.46 -1.63 1.05 5.02 -1.26 -4.95 118.16 115.63 3ea8 n LYS 97 Ca -0.03 -2.26 -0.45 0.00 -2.02 0.00 0.00 58.31 53.55 3ea8 n LYS 97 Cb 0.09 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 3ea8 n LYS 97 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3ea8 n THR 98 N 1.36 0.56 -1.77 -0.18 -1.04 -0.69 -4.83 114.28 107.69 3ea8 n THR 98 Ca 0.21 -0.23 -0.30 0.00 -2.04 0.00 0.00 64.05 61.69 3ea8 n THR 98 Cb 0.55 -2.22 0.05 0.00 -1.82 0.00 0.00 70.33 66.89 3ea8 n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3ea8 s PRO 99 N 5.03 2.73 0.26 -2.82 0.04 -1.26 -5.00 135.00 133.97 3ea8 s PRO 99 Ca 0.95 0.57 -0.31 0.00 0.04 0.00 0.00 61.00 62.25 3ea8 s PRO 99 Cb -0.51 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 31.92 3ea8 s PRO 99 CO 0.43 -1.15 1.64 0.21 0.04 0.00 0.00 177.00 178.17 3ea8 s LYS 100 N -5.27 4.12 0.17 4.56 2.47 -1.26 -4.92 119.74 119.62 3ea8 s LYS 100 Ca 0.59 2.58 -0.15 0.00 -1.56 0.00 0.00 55.97 57.43 3ea8 s LYS 100 Cb -0.12 -3.04 0.02 0.00 -1.46 0.00 0.00 37.83 33.22 3ea8 s LYS 100 CO 0.53 -0.67 0.43 1.52 0.16 0.00 0.00 175.35 177.31 3ea8 s TYR 101 N 0.44 0.01 0.13 4.03 -0.85 -1.26 -1.00 117.35 118.85 3ea8 s TYR 101 Ca 0.67 -0.36 -0.00 0.00 -0.52 0.00 0.00 57.07 56.86 3ea8 s TYR 101 Cb -0.48 0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.05 3ea8 s TYR 101 CO 0.42 -0.82 0.02 0.15 -1.52 0.00 0.00 175.55 173.80 3ea8 s LYS 102 N -3.89 0.94 -0.20 -3.49 1.02 -0.34 -4.91 119.74 108.87 3ea8 s LYS 102 Ca 0.10 -1.43 -0.05 0.00 0.02 0.00 0.00 55.97 54.61 3ea8 s LYS 102 Cb 0.01 0.06 -0.02 0.00 -0.52 0.00 0.00 37.83 37.35 3ea8 s LYS 102 CO -0.04 -0.19 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.13 3ea8 s PHE 103 N -3.89 3.02 0.02 3.18 2.99 -1.26 -1.52 117.98 120.52 3ea8 s PHE 103 Ca 0.21 -0.51 0.05 0.00 0.00 0.00 0.00 56.93 56.68 3ea8 s PHE 103 Cb 0.07 -2.07 -0.02 0.00 0.00 0.00 0.00 43.02 41.00 3ea8 s PHE 103 CO 0.01 -0.27 -0.16 0.14 -0.00 0.00 0.00 175.22 174.93 3ea8 s VAL 104 N 1.01 1.30 -0.42 -0.44 -7.23 -0.48 -4.97 120.40 109.18 3ea8 s VAL 104 Ca 0.01 -0.93 -0.18 0.00 -1.81 0.00 0.00 61.98 59.07 3ea8 s VAL 104 Cb -0.14 -1.13 0.02 0.00 0.56 0.00 0.00 36.38 35.69 3ea8 s VAL 104 CO 0.01 0.18 0.51 -0.60 -0.31 0.00 0.00 175.10 174.89 3ea8 s ARG 105 N -0.87 3.18 0.59 4.82 3.52 -1.26 -4.15 118.95 124.78 3ea8 s ARG 105 Ca 0.05 -0.61 -0.16 0.00 -0.13 0.00 0.00 55.73 54.88 3ea8 s ARG 105 Cb -0.07 -3.95 -0.04 0.00 -1.56 0.00 0.00 34.95 29.33 3ea8 s ARG 105 CO 0.01 -0.89 1.06 -1.50 -0.81 0.00 0.00 175.30 173.17 3ea8 s ILE 106 N 2.37 3.73 0.21 4.11 1.10 -1.26 -5.06 121.20 126.39 3ea8 s ILE 106 Ca 0.16 0.84 0.02 0.00 -0.51 0.00 0.00 60.65 61.15 3ea8 s ILE 106 Cb -0.16 -3.35 -0.04 0.00 0.15 0.00 0.00 42.46 39.06 3ea8 s ILE 106 CO 0.15 -0.46 0.36 -1.10 -2.11 0.00 0.00 174.94 171.79 3ea8 s GLN 107 N -3.99 3.47 0.65 3.50 -1.52 -1.26 -5.04 119.66 115.47 3ea8 s GLN 107 Ca 0.64 -0.52 -0.17 0.00 -1.95 0.00 0.00 55.36 53.37 3ea8 s GLN 107 Cb -0.17 -2.88 -0.02 0.00 -0.22 0.00 0.00 33.01 29.72 3ea8 s GLN 107 CO 0.36 0.42 1.02 -2.30 -0.25 0.00 0.00 175.29 174.54 3ea8 n PRO 108 N -0.89 0.79 0.00 2.91 -0.02 -1.26 -1.81 135.00 134.71 3ea8 n PRO 108 Ca -0.06 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3ea8 n PRO 108 Cb 0.55 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3ea8 n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ea8 n GLY 109 N 1.17 2.99 3.82 -1.23 0.00 0.90 -4.98 105.19 107.86 3ea8 n GLY 109 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3ea8 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ea8 s GLN 110 N -0.15 3.52 0.34 1.61 -0.21 -0.75 -4.74 119.66 119.28 3ea8 s GLN 110 Ca 0.00 1.06 0.09 0.00 0.02 0.00 0.00 55.36 56.53 3ea8 s GLN 110 Cb 0.00 -2.07 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 3ea8 s GLN 110 CO 0.00 -0.63 0.09 0.95 -2.12 0.00 0.00 175.29 173.58 3ea8 s THR 111 N -2.62 2.92 0.14 -0.19 -4.23 -1.26 -0.95 115.64 109.45 3ea8 s THR 111 Ca 0.61 -1.80 -0.24 0.00 -1.18 0.00 0.00 61.69 59.08 3ea8 s THR 111 Cb -0.13 -2.91 0.07 0.00 1.34 0.00 0.00 72.50 70.86 3ea8 s THR 111 CO 0.38 -0.20 0.77 0.72 -0.54 0.00 0.00 174.62 175.75 3ea8 s PHE 112 N -2.45 -0.33 0.12 3.99 -0.12 0.06 -4.91 117.98 114.34 3ea8 s PHE 112 Ca 0.36 0.06 -0.17 0.00 -0.05 0.00 0.00 56.93 57.14 3ea8 s PHE 112 Cb -0.02 0.60 -0.07 0.00 -0.63 0.00 0.00 43.02 42.91 3ea8 s PHE 112 CO 0.21 -0.86 0.58 -1.12 -0.05 0.00 0.00 175.22 173.98 3ea8 s SER 113 N -2.76 6.95 -0.13 1.98 0.01 0.05 -0.80 113.70 119.00 3ea8 s SER 113 Ca 0.07 1.19 0.01 0.00 1.31 0.00 0.00 55.95 58.53 3ea8 s SER 113 Cb -0.02 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 3ea8 s SER 113 CO -0.04 0.17 -0.17 -0.69 0.41 0.00 0.00 173.24 172.92 3ea8 s VAL 114 N -1.32 2.64 -0.53 3.43 1.01 0.11 -0.50 120.40 125.24 3ea8 s VAL 114 Ca 0.34 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 3ea8 s VAL 114 Cb -0.17 -2.08 0.13 0.00 0.00 0.00 0.00 36.38 34.25 3ea8 s VAL 114 CO 0.19 0.53 0.48 -0.22 0.00 0.00 0.00 175.10 176.08 3ea8 s LEU 115 N 0.48 6.11 0.02 3.92 2.96 -0.89 -1.57 118.68 129.71 3ea8 s LEU 115 Ca -0.12 -1.84 -0.30 0.00 -0.22 0.00 0.00 54.13 51.65 3ea8 s LEU 115 Cb -0.16 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 3ea8 s LEU 115 CO 0.05 -0.82 1.26 0.00 -1.32 0.00 0.00 176.35 175.52 3ea8 s ALA 116 N 1.51 3.48 0.08 5.97 0.00 0.35 -4.02 121.76 129.13 3ea8 s ALA 116 Ca 0.04 0.81 0.06 0.00 0.00 0.00 0.00 51.96 52.88 3ea8 s ALA 116 Cb -0.29 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 3ea8 s ALA 116 CO 0.02 -0.66 -0.17 0.00 0.00 0.00 0.00 175.76 174.95 3ea8 s TYR 118 N -1.17 0.97 -1.17 0.00 2.02 -0.77 -4.10 117.35 113.12 3ea8 s TYR 118 Ca 0.02 -0.22 -0.04 0.00 -0.37 0.00 0.00 57.07 56.45 3ea8 s TYR 118 Cb -0.10 -0.67 0.03 0.00 -0.40 0.00 0.00 41.96 40.83 3ea8 s TYR 118 CO 0.03 -0.07 0.26 0.09 -1.57 0.00 0.00 175.55 174.29 3ea8 n ASN 119 N 3.13 -3.93 0.00 2.29 4.13 -1.26 0.25 115.26 119.87 3ea8 n ASN 119 Ca -0.17 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.00 3ea8 n ASN 119 Cb 0.55 -3.29 0.00 0.00 -1.54 0.00 0.00 39.78 35.50 3ea8 n ASN 119 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ea8 n GLY 120 N -1.02 0.61 3.39 7.41 0.00 -1.26 -4.60 105.19 109.73 3ea8 n GLY 120 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3ea8 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ea8 s SER 121 N -2.38 4.81 0.21 1.61 0.01 0.14 -4.37 113.70 113.73 3ea8 s SER 121 Ca 0.00 -0.28 -0.32 0.00 1.31 0.00 0.00 55.95 56.66 3ea8 s SER 121 Cb 0.00 -1.85 -0.13 0.00 0.21 0.00 0.00 66.02 64.25 3ea8 s SER 121 CO 0.00 -0.03 1.51 -2.65 0.41 0.00 0.00 173.24 172.48 3ea8 n PRO 122 N 4.88 2.19 -0.01 12.44 -0.02 -1.26 -1.85 135.00 151.37 3ea8 n PRO 122 Ca -0.17 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3ea8 n PRO 122 Cb 0.51 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 3ea8 n PRO 122 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3ea8 n SER 123 N 2.76 4.26 -3.60 2.55 3.41 0.11 -4.91 113.62 118.20 3ea8 n SER 123 Ca 0.14 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.72 3ea8 n SER 123 Cb 0.31 0.90 -0.02 0.00 -0.26 0.00 0.00 64.21 65.14 3ea8 n SER 123 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ea8 s GLY 124 N -2.80 -0.33 -0.01 5.00 0.00 -1.13 -5.01 107.32 103.04 3ea8 s GLY 124 Ca -0.01 1.30 0.02 0.00 0.00 0.00 0.00 44.72 46.02 3ea8 s GLY 124 CO 0.13 0.40 -0.06 0.54 0.00 0.00 0.00 173.10 174.11 3ea8 s VAL 125 N -2.48 0.54 0.14 1.40 0.11 -1.26 -0.50 120.40 118.35 3ea8 s VAL 125 Ca 0.10 -0.26 -0.14 0.00 -2.93 0.00 0.00 61.98 58.76 3ea8 s VAL 125 Cb 0.00 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 3ea8 s VAL 125 CO -0.04 0.17 0.38 -0.72 -3.33 0.00 0.00 175.10 171.55 3ea8 s TYR 126 N 0.05 -0.03 0.06 1.54 -0.85 -0.61 -4.98 117.35 112.54 3ea8 s TYR 126 Ca -0.00 -0.32 -0.07 0.00 -0.52 0.00 0.00 57.07 56.16 3ea8 s TYR 126 Cb -0.05 0.19 -0.05 0.00 0.38 0.00 0.00 41.96 42.42 3ea8 s TYR 126 CO -0.00 -0.73 0.32 -1.14 -1.52 0.00 0.00 175.55 172.48 3ea8 s GLN 127 N -3.86 3.63 0.26 -3.49 2.00 -1.26 0.08 119.66 117.02 3ea8 s GLN 127 Ca 0.07 -0.04 -0.18 0.00 -2.00 0.00 0.00 55.36 53.21 3ea8 s GLN 127 Cb 0.02 -3.00 0.01 0.00 0.80 0.00 0.00 33.01 30.84 3ea8 s GLN 127 CO -0.08 0.58 0.63 0.00 -0.50 0.00 0.00 175.29 175.92 3ea8 s ALA 129 N -3.95 2.67 -0.35 0.00 0.00 -1.26 -0.76 121.76 118.11 3ea8 s ALA 129 Ca 0.15 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.57 3ea8 s ALA 129 Cb -0.04 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 3ea8 s ALA 129 CO 0.07 0.59 1.48 1.41 0.00 0.00 0.00 175.76 179.31 3ea8 s MET 130 N -1.74 3.62 0.71 0.00 1.75 -0.13 -4.42 119.30 119.10 3ea8 s MET 130 Ca 0.16 1.16 -0.14 0.00 -1.25 0.00 0.00 55.69 55.62 3ea8 s MET 130 Cb -0.11 -4.03 0.03 0.00 2.84 0.00 0.00 34.83 33.56 3ea8 s MET 130 CO 0.08 -1.50 1.15 1.03 -0.65 0.00 0.00 175.02 175.12 3ea8 s ARG 131 N 4.89 2.39 0.35 4.11 1.81 0.09 -0.07 118.95 132.51 3ea8 s ARG 131 Ca 0.65 1.52 0.08 0.00 -1.72 0.00 0.00 55.73 56.26 3ea8 s ARG 131 Cb -0.17 -1.89 0.80 0.00 -0.45 0.00 0.00 34.95 33.24 3ea8 s ARG 131 CO 0.31 -1.60 1.85 -1.35 -0.68 0.00 0.00 175.30 173.83 3ea8 h PRO 132 N -0.31 0.69 -0.50 3.54 0.11 -1.87 -0.15 132.00 133.51 3ea8 h PRO 132 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ea8 h PRO 132 Cb 1.26 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ea8 h PRO 132 CO 0.51 0.46 0.00 0.27 -0.21 0.00 0.00 178.00 179.03 3ea8 n ASN 133 N -4.59 0.50 -0.29 -2.05 0.23 -1.26 -4.86 115.26 102.94 3ea8 n ASN 133 Ca 0.18 -1.79 -0.04 0.00 -0.53 0.00 0.00 54.58 52.41 3ea8 n ASN 133 Cb 0.49 -0.25 -0.02 0.00 -2.08 0.00 0.00 39.78 37.92 3ea8 n ASN 133 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3ea8 n HIS 134 N -0.19 0.00 -3.75 -2.53 8.25 -0.07 -4.66 115.22 112.27 3ea8 n HIS 134 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 3ea8 n HIS 134 Cb 0.13 -1.53 -0.02 0.00 1.12 0.00 0.00 29.99 29.68 3ea8 n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ea8 s THR 135 N -1.72 4.25 0.07 1.59 -4.23 -1.26 -4.49 115.64 109.85 3ea8 s THR 135 Ca 0.00 -1.14 0.08 0.00 -1.18 0.00 0.00 61.69 59.44 3ea8 s THR 135 Cb 0.00 -3.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 3ea8 s THR 135 CO 0.00 -0.23 -0.18 0.27 -0.54 0.00 0.00 174.62 173.94 3ea8 s ILE 136 N -2.16 2.81 -1.18 2.99 -4.36 -0.50 -0.73 121.20 118.07 3ea8 s ILE 136 Ca 0.40 -1.29 -0.13 0.00 -0.26 0.00 0.00 60.65 59.37 3ea8 s ILE 136 Cb -0.08 -2.22 0.18 0.00 1.25 0.00 0.00 42.46 41.59 3ea8 s ILE 136 CO 0.29 0.26 1.38 -0.54 0.24 0.00 0.00 174.94 176.56 3ea8 s LYS 137 N -1.67 4.08 0.01 0.37 1.02 -1.26 -1.10 119.74 121.18 3ea8 s LYS 137 Ca 0.16 -2.62 0.00 0.00 0.02 0.00 0.00 55.97 53.52 3ea8 s LYS 137 Cb -0.11 -4.99 0.00 0.00 -0.52 0.00 0.00 37.83 32.21 3ea8 s LYS 137 CO 0.07 -1.70 0.01 0.41 -0.92 0.00 0.00 175.35 173.21 3ea8 n GLY 138 N 4.00 1.80 2.68 -3.33 0.00 -1.26 -4.96 105.19 104.11 3ea8 n GLY 138 Ca 0.34 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 3ea8 n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ea8 s SER 139 N -1.03 3.87 -0.00 1.61 0.15 -1.26 -4.97 113.70 112.06 3ea8 s SER 139 Ca 0.01 -1.63 0.02 0.00 0.70 0.00 0.00 55.95 55.04 3ea8 s SER 139 Cb -0.00 -0.74 -0.00 0.00 -1.71 0.00 0.00 66.02 63.56 3ea8 s SER 139 CO 0.00 -0.41 -0.05 -0.36 1.20 0.00 0.00 173.24 173.62 3ea8 s PHE 140 N 1.64 0.49 0.50 3.44 0.40 -1.26 -4.97 117.98 118.21 3ea8 s PHE 140 Ca 0.10 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 3ea8 s PHE 140 Cb -0.18 -0.32 -0.01 0.00 0.51 0.00 0.00 43.02 43.03 3ea8 s PHE 140 CO -0.26 -0.01 0.17 -0.51 0.70 0.00 0.00 175.22 175.31 3ea8 s LEU 141 N -0.12 2.62 0.23 -0.37 1.43 -1.26 -5.05 118.68 116.16 3ea8 s LEU 141 Ca 0.02 -1.39 -0.31 0.00 -1.03 0.00 0.00 54.13 51.42 3ea8 s LEU 141 Cb -0.02 -1.03 -0.14 0.00 0.03 0.00 0.00 46.19 45.03 3ea8 s LEU 141 CO -0.00 -0.86 1.18 0.59 0.23 0.00 0.00 176.35 177.49 3ea8 n ASN 142 N -1.41 1.73 0.00 2.29 3.02 -1.26 -2.05 115.26 117.59 3ea8 n ASN 142 Ca -0.09 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 3ea8 n ASN 142 Cb 0.66 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 3ea8 n ASN 142 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ea8 n GLY 143 N 1.73 0.69 0.03 7.41 0.00 -1.26 -4.94 105.19 108.85 3ea8 n GLY 143 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3ea8 n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ea8 n SER 144 N 0.00 0.29 -4.67 1.61 3.41 -0.87 -4.33 113.62 109.06 3ea8 n SER 144 Ca 0.00 -0.05 -0.44 0.00 -0.26 0.00 0.00 58.87 58.12 3ea8 n SER 144 Cb 0.00 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 3ea8 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ea8 n GLY 146 N 1.59 2.39 3.68 0.00 0.00 0.27 -1.09 105.19 112.03 3ea8 n GLY 146 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3ea8 n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ea8 n SER 147 N 0.00 2.11 -4.53 1.61 7.64 -0.60 -4.53 113.62 115.33 3ea8 n SER 147 Ca 0.00 1.03 -0.25 0.00 1.01 0.00 0.00 58.87 60.66 3ea8 n SER 147 Cb 0.00 -1.47 -0.10 0.00 -1.01 0.00 0.00 64.21 61.63 3ea8 n SER 147 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3ea8 s VAL 148 N -1.27 2.48 0.06 0.44 -7.23 -1.26 -0.24 120.40 113.37 3ea8 s VAL 148 Ca 0.65 -2.25 0.07 0.00 -1.81 0.00 0.00 61.98 58.64 3ea8 s VAL 148 Cb -0.49 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 3ea8 s VAL 148 CO 0.55 -0.30 -0.16 -0.83 -0.31 0.00 0.00 175.10 174.04 3ea8 s GLY 149 N -3.58 1.64 0.15 2.32 0.00 0.90 -2.10 107.32 106.65 3ea8 s GLY 149 Ca 0.32 -1.20 -0.20 0.00 0.00 0.00 0.00 44.72 43.63 3ea8 s GLY 149 CO 0.16 -1.11 0.53 -0.11 0.00 0.00 0.00 173.10 172.57 3ea8 s PHE 150 N -1.00 -0.39 0.29 1.90 -0.12 0.34 -0.74 117.98 118.26 3ea8 s PHE 150 Ca 0.16 0.13 0.09 0.00 -0.05 0.00 0.00 56.93 57.27 3ea8 s PHE 150 Cb -0.11 0.45 -0.06 0.00 -0.63 0.00 0.00 43.02 42.68 3ea8 s PHE 150 CO 0.07 -0.82 -0.12 -0.80 -0.05 0.00 0.00 175.22 173.50 3ea8 s ASN 151 N -2.78 3.30 -0.10 1.98 0.01 -0.26 -0.77 114.94 116.32 3ea8 s ASN 151 Ca 0.02 -1.12 0.03 0.00 -0.71 0.00 0.00 52.86 51.08 3ea8 s ASN 151 Cb -0.00 -0.26 0.01 0.00 0.41 0.00 0.00 41.25 41.40 3ea8 s ASN 151 CO -0.11 -0.16 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.50 3ea8 s ILE 152 N -2.73 1.66 -0.12 0.60 1.01 -1.26 -0.62 121.20 119.74 3ea8 s ILE 152 Ca 0.30 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.20 3ea8 s ILE 152 Cb 0.00 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 41.01 3ea8 s ILE 152 CO 0.14 0.47 -0.18 -1.81 0.00 0.00 0.00 174.94 173.56 3ea8 s ASP 153 N 0.63 2.73 0.36 3.58 1.11 -0.66 -4.97 116.67 119.46 3ea8 s ASP 153 Ca -0.14 -0.50 0.00 0.00 0.18 0.00 0.00 52.55 52.09 3ea8 s ASP 153 Cb -0.16 -1.24 0.00 0.00 1.07 0.00 0.00 42.92 42.58 3ea8 s ASP 153 CO 0.04 0.04 0.00 0.00 1.18 0.00 0.00 175.17 176.43 3ea8 n TYR 154 N 4.19 0.00 0.21 4.23 0.18 -1.26 0.28 117.16 124.99 3ea8 n TYR 154 Ca -0.19 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.68 3ea8 n TYR 154 Cb 0.51 0.00 0.16 0.00 -0.38 0.00 0.00 39.34 39.64 3ea8 n TYR 154 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 3ea8 n ASP 155 N 5.01 3.01 -4.51 9.48 5.68 -1.26 -4.96 116.55 129.00 3ea8 n ASP 155 Ca 0.00 -1.88 -0.40 0.00 -0.50 0.00 0.00 54.79 52.01 3ea8 n ASP 155 Cb 0.00 -0.19 -0.11 0.00 -1.14 0.00 0.00 41.12 39.68 3ea8 n ASP 155 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ea8 s VAL 157 N 1.70 4.42 -0.54 0.00 1.01 -0.17 -1.65 120.40 125.16 3ea8 s VAL 157 Ca 0.06 1.66 -0.19 0.00 0.00 0.00 0.00 61.98 63.51 3ea8 s VAL 157 Cb -0.17 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.02 3ea8 s VAL 157 CO 0.10 -0.37 0.64 -0.44 0.00 0.00 0.00 175.10 175.03 3ea8 s SER 158 N 1.88 6.20 0.05 3.32 0.01 0.21 -1.20 113.70 124.18 3ea8 s SER 158 Ca 0.49 -1.22 -0.30 0.00 1.31 0.00 0.00 55.95 56.23 3ea8 s SER 158 Cb -0.15 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 3ea8 s SER 158 CO 0.15 -0.98 1.07 -0.36 0.41 0.00 0.00 173.24 173.53 3ea8 s PHE 159 N 2.54 3.59 0.00 2.43 0.08 -0.57 -1.11 117.98 124.95 3ea8 s PHE 159 Ca 0.12 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.74 3ea8 s PHE 159 Cb -0.22 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 3ea8 s PHE 159 CO 0.09 -0.48 0.00 0.00 -0.10 0.00 0.00 175.22 174.72 3ea8 s TYR 161 N -0.45 -0.26 -0.05 0.00 5.04 -1.06 -4.25 117.35 116.32 3ea8 s TYR 161 Ca 0.00 0.63 0.03 0.00 -2.44 0.00 0.00 57.07 55.29 3ea8 s TYR 161 Cb 0.00 0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.41 3ea8 s TYR 161 CO 0.00 -0.13 -0.13 1.41 -1.34 0.00 0.00 175.55 175.36 3ea8 s MET 162 N 0.10 1.61 -0.00 4.97 -2.45 0.12 -0.07 119.30 123.58 3ea8 s MET 162 Ca -0.00 -0.45 -0.29 0.00 -1.25 0.00 0.00 55.69 53.70 3ea8 s MET 162 Cb -0.02 -1.36 -0.03 0.00 1.25 0.00 0.00 34.83 34.67 3ea8 s MET 162 CO 0.00 0.10 0.95 -1.58 1.05 0.00 0.00 175.02 175.54 3ea8 s HIS 163 N 0.43 3.66 -0.05 4.11 2.46 0.66 -1.34 115.29 125.21 3ea8 s HIS 163 Ca -0.10 1.65 0.01 0.00 0.47 0.00 0.00 55.06 57.09 3ea8 s HIS 163 Cb -0.14 -3.08 -0.04 0.00 -0.13 0.00 0.00 32.58 29.19 3ea8 s HIS 163 CO 0.03 0.01 -0.04 0.72 -2.47 0.00 0.00 174.74 172.99 3ea8 n HIS 164 N 3.85 0.00 -3.60 3.88 8.25 -0.99 -0.57 115.22 126.05 3ea8 n HIS 164 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.42 3ea8 n HIS 164 Cb 0.51 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 3ea8 n HIS 164 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ea8 s MET 165 N -2.11 1.30 -0.06 -0.41 0.23 -0.60 -4.86 119.30 112.79 3ea8 s MET 165 Ca -0.06 -0.59 0.04 0.00 -1.03 0.00 0.00 55.69 54.04 3ea8 s MET 165 Cb 0.02 0.52 -0.02 0.00 -1.53 0.00 0.00 34.83 33.82 3ea8 s MET 165 CO 0.14 -0.58 -0.15 -2.00 -2.03 0.00 0.00 175.02 170.40 3ea8 s GLU 166 N -3.60 2.57 0.41 3.16 2.12 -1.26 -0.93 118.70 121.17 3ea8 s GLU 166 Ca 0.06 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.70 3ea8 s GLU 166 Cb -0.02 -2.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.99 3ea8 s GLU 166 CO -0.05 0.57 0.60 -0.51 -0.54 0.00 0.00 175.26 175.33 3ea8 s LEU 167 N -0.59 3.77 0.56 2.70 1.43 0.65 -4.94 118.68 122.26 3ea8 s LEU 167 Ca 0.08 0.12 0.29 0.00 -1.03 0.00 0.00 54.13 53.59 3ea8 s LEU 167 Cb -0.11 -3.01 1.46 0.00 0.03 0.00 0.00 46.19 44.56 3ea8 s LEU 167 CO 0.01 -0.60 1.93 -0.65 0.23 0.00 0.00 176.35 177.27 3ea8 h PRO 168 N 0.58 0.00 -0.05 1.29 0.11 -1.87 0.48 132.00 132.53 3ea8 h PRO 168 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ea8 h PRO 168 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ea8 h PRO 168 CO 0.56 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 3ea8 n THR 169 N -4.06 0.06 -0.83 -1.15 -2.24 -1.26 -4.90 114.28 99.89 3ea8 n THR 169 Ca 0.11 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3ea8 n THR 169 Cb 0.73 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 3ea8 n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ea8 n GLY 170 N 1.03 0.60 3.99 3.38 0.00 0.17 -5.05 105.19 109.31 3ea8 n GLY 170 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3ea8 n GLY 170 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ea8 s VAL 171 N -2.07 2.57 0.12 1.61 -7.23 -1.26 -4.77 120.40 109.38 3ea8 s VAL 171 Ca 0.00 -0.77 0.09 0.00 -1.81 0.00 0.00 61.98 59.49 3ea8 s VAL 171 Cb 0.00 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 3ea8 s VAL 171 CO 0.00 0.00 -0.22 -1.00 -0.31 0.00 0.00 175.10 173.57 3ea8 s HIS 172 N -2.73 1.95 0.02 2.82 0.09 -0.26 -0.25 115.29 116.92 3ea8 s HIS 172 Ca 0.59 -0.41 0.02 0.00 -0.00 0.00 0.00 55.06 55.26 3ea8 s HIS 172 Cb -0.09 -1.04 -0.01 0.00 -0.00 0.00 0.00 32.58 31.44 3ea8 s HIS 172 CO 0.38 0.27 -0.06 0.00 -0.00 0.00 0.00 174.74 175.34 3ea8 s ALA 173 N -1.29 0.47 0.00 -1.40 0.00 -0.11 -1.41 121.76 118.02 3ea8 s ALA 173 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3ea8 s ALA 173 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3ea8 s ALA 173 CO 0.05 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.26 3ea8 n GLY 174 N 2.21 1.71 3.49 0.00 0.00 -1.26 -1.55 105.19 109.79 3ea8 n GLY 174 Ca -0.18 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 3ea8 n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ea8 s THR 175 N -2.66 1.77 0.50 2.61 -4.23 -0.45 -1.73 115.64 111.45 3ea8 s THR 175 Ca 0.00 -2.10 -0.08 0.00 -1.18 0.00 0.00 61.69 58.33 3ea8 s THR 175 Cb 0.00 -2.65 0.12 0.00 1.34 0.00 0.00 72.50 71.31 3ea8 s THR 175 CO 0.00 -0.17 0.56 -0.90 -0.54 0.00 0.00 174.62 173.57 3ea8 n ASP 176 N -0.72 -0.68 -0.94 3.99 5.68 -0.62 0.13 116.55 123.39 3ea8 n ASP 176 Ca -0.05 -1.03 0.04 0.00 -0.50 0.00 0.00 54.79 53.26 3ea8 n ASP 176 Cb 0.65 -0.46 0.17 0.00 -1.14 0.00 0.00 41.12 40.33 3ea8 n ASP 176 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3ea8 n LEU 177 N 0.00 2.64 -0.55 -2.12 7.99 -1.26 -2.01 117.00 121.69 3ea8 n LEU 177 Ca 0.07 -1.33 0.06 0.00 -0.01 0.00 0.00 56.01 54.80 3ea8 n LEU 177 Cb 0.27 -0.45 0.08 0.00 -0.11 0.00 0.00 43.42 43.21 3ea8 n LEU 177 CO 0.19 0.43 0.49 -0.62 -1.51 0.00 0.00 177.39 176.38 3ea8 n GLU 178 N 0.36 1.23 -0.85 3.23 1.02 -1.26 -4.98 120.64 119.39 3ea8 n GLU 178 Ca 0.12 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 3ea8 n GLU 178 Cb 0.53 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 3ea8 n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ea8 n GLY 179 N 0.69 0.52 3.63 0.62 0.00 -0.85 -4.20 105.19 105.59 3ea8 n GLY 179 Ca 0.09 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 3ea8 n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ea8 s LYS 180 N -0.99 4.10 0.51 1.61 2.47 -1.26 -0.89 119.74 125.30 3ea8 s LYS 180 Ca 0.00 0.32 -0.23 0.00 -1.56 0.00 0.00 55.97 54.50 3ea8 s LYS 180 Cb 0.00 -3.62 -0.06 0.00 -1.46 0.00 0.00 37.83 32.69 3ea8 s LYS 180 CO 0.00 -0.28 1.37 1.19 0.16 0.00 0.00 175.35 177.79 3ea8 n PHE 181 N 5.28 2.38 -2.74 4.03 3.01 -1.26 -1.59 117.46 126.56 3ea8 n PHE 181 Ca -0.05 0.44 -0.42 0.00 1.01 0.00 0.00 57.45 58.43 3ea8 n PHE 181 Cb 0.50 -2.39 -0.03 0.00 -0.01 0.00 0.00 39.48 37.55 3ea8 n PHE 181 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3ea8 s TYR 182 N -1.26 3.61 0.00 1.38 2.02 -0.71 -4.85 117.35 117.54 3ea8 s TYR 182 Ca 0.68 1.61 0.00 0.00 -0.37 0.00 0.00 57.07 58.99 3ea8 s TYR 182 Cb -0.43 -3.10 0.00 0.00 -0.40 0.00 0.00 41.96 38.02 3ea8 s TYR 182 CO 0.52 -0.06 0.00 0.41 -1.57 0.00 0.00 175.55 174.85 3ea8 n GLY 183 N 2.99 -0.83 1.31 0.71 0.00 -1.26 -4.48 105.19 103.63 3ea8 n GLY 183 Ca 0.06 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 3ea8 n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ea8 n PRO 184 N -0.79 1.66 -3.37 1.61 -0.05 -1.26 -4.93 135.00 127.87 3ea8 n PRO 184 Ca 0.00 -1.05 -0.27 0.00 -0.05 0.00 0.00 63.50 62.13 3ea8 n PRO 184 Cb 0.00 -1.50 -0.02 0.00 -0.05 0.00 0.00 33.50 31.93 3ea8 n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 3ea8 s PHE 185 N -1.25 3.49 0.12 0.54 0.08 -1.26 -5.10 117.98 114.60 3ea8 s PHE 185 Ca 0.19 0.52 0.06 0.00 0.12 0.00 0.00 56.93 57.82 3ea8 s PHE 185 Cb 0.16 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 3ea8 s PHE 185 CO 0.04 0.17 -0.15 0.14 -0.10 0.00 0.00 175.22 175.32 3ea8 s VAL 186 N -2.15 1.39 -1.33 -0.44 -7.23 -1.26 -4.84 120.40 104.53 3ea8 s VAL 186 Ca 0.42 -1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 58.76 3ea8 s VAL 186 Cb -0.10 -1.54 0.12 0.00 0.56 0.00 0.00 36.38 35.42 3ea8 s VAL 186 CO 0.32 -0.38 1.95 -0.90 -0.31 0.00 0.00 175.10 175.78 3ea8 n ASP 187 N 0.56 4.71 -3.74 4.85 5.75 -1.26 -4.85 116.55 122.58 3ea8 n ASP 187 Ca -0.16 -3.01 -0.07 0.00 -0.01 0.00 0.00 54.79 51.55 3ea8 n ASP 187 Cb 0.57 -1.55 -0.02 0.00 -1.03 0.00 0.00 41.12 39.08 3ea8 n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ea8 s ARG 188 N 1.53 1.45 -0.32 0.11 1.70 -1.26 -4.93 118.95 117.23 3ea8 s ARG 188 Ca 0.43 -0.76 -0.26 0.00 -0.47 0.00 0.00 55.73 54.67 3ea8 s ARG 188 Cb 0.10 0.52 0.01 0.00 -0.57 0.00 0.00 34.95 35.01 3ea8 s ARG 188 CO -0.02 -0.66 0.91 -1.14 -1.08 0.00 0.00 175.30 173.31 3ea8 s GLN 189 N -3.62 3.97 0.12 3.89 2.00 0.08 -4.99 119.66 121.12 3ea8 s GLN 189 Ca 0.10 0.75 -0.01 0.00 -2.00 0.00 0.00 55.36 54.19 3ea8 s GLN 189 Cb -0.03 -3.75 0.00 0.00 0.80 0.00 0.00 33.01 30.03 3ea8 s GLN 189 CO 0.01 -0.80 0.17 0.25 -0.50 0.00 0.00 175.29 174.42 3ea8 n THR 190 N 5.72 0.00 0.00 -0.34 -2.24 -1.26 -4.72 114.28 111.45 3ea8 n THR 190 Ca 0.07 -0.61 0.05 0.00 -2.27 0.00 0.00 64.05 61.28 3ea8 n THR 190 Cb 0.48 0.38 0.23 0.00 -2.10 0.00 0.00 70.33 69.32 3ea8 n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ea8 n ALA 191 N -2.20 3.17 -1.78 6.98 0.00 -1.26 -4.95 120.51 120.48 3ea8 n ALA 191 Ca -0.05 -1.07 -0.41 0.00 0.00 0.00 0.00 53.44 51.92 3ea8 n ALA 191 Cb 0.20 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3ea8 n ALA 191 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3ea8 s GLN 192 N -1.93 3.98 0.05 0.00 -2.07 -1.26 -5.02 119.66 113.41 3ea8 s GLN 192 Ca 0.32 2.53 0.01 0.00 -1.82 0.00 0.00 55.36 56.40 3ea8 s GLN 192 Cb 0.23 -2.88 -0.03 0.00 -1.09 0.00 0.00 33.01 29.24 3ea8 s GLN 192 CO 0.11 -0.62 -0.05 0.00 -1.32 0.00 0.00 175.29 173.41 3ea8 s ALA 193 N -1.14 0.56 0.29 2.60 0.00 -1.26 -4.61 121.76 118.19 3ea8 s ALA 193 Ca 0.55 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 3ea8 s ALA 193 Cb -0.46 0.16 -0.12 0.00 0.00 0.00 0.00 23.12 22.70 3ea8 s ALA 193 CO 0.61 -0.20 1.58 0.00 0.00 0.00 0.00 175.76 177.75 3ea8 n ALA 194 N 0.73 2.39 -0.86 0.00 0.00 -1.26 -4.99 120.51 116.51 3ea8 n ALA 194 Ca -0.18 0.38 -0.28 0.00 0.00 0.00 0.00 53.44 53.35 3ea8 n ALA 194 Cb 0.58 -2.44 0.22 0.00 0.00 0.00 0.00 19.45 17.81 3ea8 n ALA 194 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ea8 s GLY 195 N 0.48 1.54 0.46 0.00 0.00 -1.26 -4.97 107.32 103.57 3ea8 s GLY 195 Ca 0.65 -0.35 -0.24 0.00 0.00 0.00 0.00 44.72 44.78 3ea8 s GLY 195 CO 0.48 0.35 1.24 -0.51 0.00 0.00 0.00 173.10 174.67 3ea8 s THR 196 N -2.73 2.77 0.46 0.90 -4.23 -1.26 -4.90 115.64 106.65 3ea8 s THR 196 Ca 0.67 0.61 0.08 0.00 -1.18 0.00 0.00 61.69 61.87 3ea8 s THR 196 Cb -0.21 -3.32 0.03 0.00 1.34 0.00 0.00 72.50 70.34 3ea8 s THR 196 CO 0.61 0.02 0.61 -0.62 -0.54 0.00 0.00 174.62 174.69 3ea8 s ASP 197 N -1.10 5.42 0.05 3.99 3.68 -1.26 -4.64 116.67 122.81 3ea8 s ASP 197 Ca 0.63 -0.59 -0.03 0.00 2.13 0.00 0.00 52.55 54.69 3ea8 s ASP 197 Cb -0.34 -0.37 -0.02 0.00 -1.45 0.00 0.00 42.92 40.74 3ea8 s ASP 197 CO 0.41 -0.91 0.04 0.42 0.13 0.00 0.00 175.17 175.26 3ea8 s THR 198 N -2.46 0.18 0.24 1.71 -4.23 -1.26 -5.01 115.64 104.80 3ea8 s THR 198 Ca 0.56 -1.44 -0.30 0.00 -1.18 0.00 0.00 61.69 59.33 3ea8 s THR 198 Cb -0.08 -1.21 -0.09 0.00 1.34 0.00 0.00 72.50 72.46 3ea8 s THR 198 CO 0.34 -0.80 1.03 -0.89 -0.54 0.00 0.00 174.62 173.76 3ea8 s THR 199 N -3.35 3.84 -0.81 3.99 2.01 -0.66 -4.61 115.64 116.05 3ea8 s THR 199 Ca 0.01 1.78 -0.24 0.00 0.31 0.00 0.00 61.69 63.56 3ea8 s THR 199 Cb 0.03 -4.13 0.06 0.00 0.01 0.00 0.00 72.50 68.47 3ea8 s THR 199 CO -0.08 0.39 1.21 -0.63 -0.69 0.00 0.00 174.62 174.82 3ea8 s ILE 200 N -0.93 4.07 0.22 1.82 1.01 -1.26 -2.08 121.20 124.04 3ea8 s ILE 200 Ca 0.44 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.66 3ea8 s ILE 200 Cb -0.29 -4.87 0.16 0.00 0.01 0.00 0.00 42.46 37.47 3ea8 s ILE 200 CO 0.36 -1.72 1.81 0.74 0.00 0.00 0.00 174.94 176.13 3ea8 h THR 201 N 6.16 0.95 -0.99 2.92 2.02 -1.93 -1.73 112.91 120.31 3ea8 h THR 201 Ca -0.11 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 66.84 3ea8 h THR 201 Cb 1.04 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 3ea8 h THR 201 CO 1.26 0.13 0.65 0.25 0.37 0.00 0.00 175.52 178.18 3ea8 h LEU 202 N 0.70 1.12 -0.27 2.58 5.85 -1.90 -1.79 115.31 121.59 3ea8 h LEU 202 Ca 0.32 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.91 3ea8 h LEU 202 Cb 0.22 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3ea8 h LEU 202 CO -0.20 0.80 -0.25 0.78 -0.34 0.00 0.00 178.44 179.23 3ea8 h ASN 203 N 1.32 0.68 -0.25 1.25 2.35 -1.54 -1.65 115.58 117.74 3ea8 h ASN 203 Ca 0.37 -0.47 0.04 0.00 -0.55 0.00 0.00 56.30 55.69 3ea8 h ASN 203 Cb -0.11 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.03 3ea8 h ASN 203 CO -0.09 1.01 0.02 0.58 -1.65 0.00 0.00 177.43 177.30 3ea8 h VAL 204 N 0.37 0.85 -0.91 2.81 2.07 -1.10 0.05 116.25 120.39 3ea8 h VAL 204 Ca 0.04 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.57 3ea8 h VAL 204 Cb 0.81 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 3ea8 h VAL 204 CO 0.06 0.02 0.59 -0.07 0.02 0.00 0.00 177.57 178.19 3ea8 h LEU 205 N 0.10 0.97 -0.27 2.57 3.38 -1.30 -0.38 115.31 120.38 3ea8 h LEU 205 Ca 0.12 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3ea8 h LEU 205 Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3ea8 h LEU 205 CO -0.18 0.66 0.15 0.00 0.09 0.00 0.00 178.44 179.16 3ea8 h ALA 206 N 1.39 0.33 -0.91 1.53 0.00 -0.39 -1.58 119.26 119.62 3ea8 h ALA 206 Ca 0.37 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3ea8 h ALA 206 Cb 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3ea8 h ALA 206 CO -0.13 -0.23 0.51 2.35 0.00 0.00 0.00 179.25 181.75 3ea8 h TRP 207 N 0.32 1.25 -0.56 0.00 7.01 -0.27 0.34 115.95 124.03 3ea8 h TRP 207 Ca 0.10 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 3ea8 h TRP 207 Cb -0.00 -0.40 -0.03 0.00 -2.10 0.00 0.00 29.16 26.63 3ea8 h TRP 207 CO -0.08 0.86 0.31 -0.07 -2.79 0.00 0.00 178.44 176.67 3ea8 h LEU 208 N 1.27 0.68 -0.74 0.65 3.38 -0.80 -0.64 115.31 119.11 3ea8 h LEU 208 Ca 0.32 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 3ea8 h LEU 208 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3ea8 h LEU 208 CO -0.05 0.55 -0.14 1.88 0.09 0.00 0.00 178.44 180.77 3ea8 h TYR 209 N 0.78 0.90 -0.58 1.13 0.05 -0.06 -2.59 116.97 116.60 3ea8 h TYR 209 Ca 0.20 -0.18 0.02 0.00 0.05 0.00 0.00 58.73 58.83 3ea8 h TYR 209 Cb 0.02 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.49 3ea8 h TYR 209 CO 0.00 0.90 0.36 0.00 -1.05 0.00 0.00 178.16 178.37 3ea8 h ALA 210 N 1.11 0.75 -0.83 3.88 0.00 -0.15 -0.12 119.26 123.91 3ea8 h ALA 210 Ca 0.12 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3ea8 h ALA 210 Cb 0.64 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3ea8 h ALA 210 CO 0.04 0.10 0.53 0.00 0.00 0.00 0.00 179.25 179.92 3ea8 h ALA 211 N 1.25 1.11 0.14 0.00 0.00 -0.91 -1.64 119.26 119.21 3ea8 h ALA 211 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ea8 h ALA 211 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ea8 h ALA 211 CO -0.09 0.33 -0.07 0.28 0.00 0.00 0.00 179.25 179.70 3ea8 h VAL 212 N 1.01 1.00 -1.10 0.00 2.07 -1.02 -0.79 116.25 117.41 3ea8 h VAL 212 Ca 0.34 -0.67 0.31 0.00 0.82 0.00 0.00 66.70 67.50 3ea8 h VAL 212 Cb 0.06 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 3ea8 h VAL 212 CO -0.13 0.16 0.76 0.40 0.02 0.00 0.00 177.57 178.77 3ea8 h ILE 213 N -0.51 0.46 -0.35 4.57 2.04 -0.83 0.56 117.51 123.45 3ea8 h ILE 213 Ca -0.02 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3ea8 h ILE 213 Cb 0.40 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3ea8 h ILE 213 CO 0.03 0.03 0.00 0.59 0.00 0.00 0.00 178.15 178.80 3ea8 n ASN 214 N -4.38 2.45 0.00 1.72 5.03 -0.63 0.34 115.26 119.80 3ea8 n ASN 214 Ca 0.25 -2.15 0.00 0.00 0.87 0.00 0.00 54.58 53.55 3ea8 n ASN 214 Cb 1.07 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 39.47 3ea8 n ASN 214 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ea8 n GLY 215 N 0.85 0.82 3.32 7.41 0.00 0.20 -4.87 105.19 112.90 3ea8 n GLY 215 Ca 0.13 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3ea8 n GLY 215 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ea8 s ASP 216 N -2.05 4.26 -0.08 1.61 -1.08 -0.33 -4.98 116.67 114.01 3ea8 s ASP 216 Ca 0.00 -0.38 0.14 0.00 -0.52 0.00 0.00 52.55 51.79 3ea8 s ASP 216 Cb 0.00 -1.72 0.29 0.00 -1.46 0.00 0.00 42.92 40.03 3ea8 s ASP 216 CO 0.00 0.01 1.14 -2.11 0.52 0.00 0.00 175.17 174.72 3ea8 n ARG 217 N 4.62 0.71 -0.16 4.34 1.85 -1.26 -2.91 116.66 123.85 3ea8 n ARG 217 Ca -0.18 -2.24 0.06 0.00 -1.00 0.00 0.00 57.85 54.49 3ea8 n ARG 217 Cb 0.51 -0.89 0.36 0.00 -1.05 0.00 0.00 32.46 31.39 3ea8 n ARG 217 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 3ea8 h TRP 218 N 0.53 0.73 0.00 2.89 5.08 -1.98 -2.35 115.95 120.84 3ea8 h TRP 218 Ca -0.06 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.93 3ea8 h TRP 218 Cb 1.34 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 27.26 3ea8 h TRP 218 CO 0.27 0.40 0.00 1.97 -1.28 0.00 0.00 178.44 179.80 3ea8 n PHE 219 N -4.47 0.02 -1.00 0.12 1.16 -1.26 -4.87 117.46 107.15 3ea8 n PHE 219 Ca 0.09 0.01 -0.30 0.00 -1.87 0.00 0.00 57.45 55.37 3ea8 n PHE 219 Cb 0.20 -0.51 0.14 0.00 -1.61 0.00 0.00 39.48 37.70 3ea8 n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3ea8 s LEU 220 N -3.03 2.61 0.29 5.98 1.43 -0.89 -4.79 118.68 120.29 3ea8 s LEU 220 Ca 0.14 1.84 -0.06 0.00 -1.03 0.00 0.00 54.13 55.02 3ea8 s LEU 220 Cb 0.19 -4.31 -0.00 0.00 0.03 0.00 0.00 46.19 42.10 3ea8 s LEU 220 CO 0.53 -2.71 0.45 0.54 0.23 0.00 0.00 176.35 175.39 3ea8 s ASN 221 N -3.09 0.45 0.00 2.29 2.20 -1.26 -5.04 114.94 110.49 3ea8 s ASN 221 Ca 0.64 -1.27 0.29 0.00 -0.94 0.00 0.00 52.86 51.58 3ea8 s ASN 221 Cb -0.20 0.61 1.22 0.00 -2.00 0.00 0.00 41.25 40.88 3ea8 s ASN 221 CO 0.58 -1.20 1.86 -2.11 -2.94 0.00 0.00 177.10 173.28 3ea8 n ARG 222 N -0.47 0.65 -2.43 3.55 1.85 -1.26 -4.91 116.66 113.64 3ea8 n ARG 222 Ca -0.00 -0.21 -0.26 0.00 -1.00 0.00 0.00 57.85 56.38 3ea8 n ARG 222 Cb 0.62 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.57 3ea8 n ARG 222 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3ea8 s PHE 223 N -2.50 3.17 0.27 2.89 0.08 -1.26 -5.12 117.98 115.51 3ea8 s PHE 223 Ca 0.28 0.53 0.03 0.00 0.12 0.00 0.00 56.93 57.89 3ea8 s PHE 223 Cb 0.20 -2.78 -0.01 0.00 -0.57 0.00 0.00 43.02 39.86 3ea8 s PHE 223 CO 0.48 -0.88 0.10 -2.37 -0.10 0.00 0.00 175.22 172.45 3ea8 n THR 224 N -2.58 0.00 -3.65 0.64 5.66 -1.26 -4.60 114.28 108.49 3ea8 n THR 224 Ca 0.05 -1.58 -0.10 0.00 -3.05 0.00 0.00 64.05 59.37 3ea8 n THR 224 Cb 0.58 0.59 -0.03 0.00 -1.55 0.00 0.00 70.33 69.92 3ea8 n THR 224 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3ea8 s THR 225 N -2.59 0.01 0.14 1.09 -1.32 -1.22 -4.80 115.64 106.94 3ea8 s THR 225 Ca 0.15 -0.54 -0.11 0.00 -1.21 0.00 0.00 61.69 59.98 3ea8 s THR 225 Cb 0.01 -1.44 -0.06 0.00 -1.51 0.00 0.00 72.50 69.49 3ea8 s THR 225 CO 0.10 -0.06 0.48 -0.89 -2.21 0.00 0.00 174.62 172.04 3ea8 s THR 226 N -3.84 4.99 0.18 5.08 2.01 -1.26 -4.88 115.64 117.92 3ea8 s THR 226 Ca 0.06 0.54 -0.20 0.00 0.31 0.00 0.00 61.69 62.41 3ea8 s THR 226 Cb -0.02 -3.67 0.11 0.00 0.01 0.00 0.00 72.50 68.94 3ea8 s THR 226 CO -0.05 0.18 1.61 0.25 -0.69 0.00 0.00 174.62 175.93 3ea8 h LEU 227 N 3.36 -0.91 -0.45 4.42 5.85 -1.98 0.30 115.31 125.90 3ea8 h LEU 227 Ca -0.48 0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.49 3ea8 h LEU 227 Cb 1.19 0.46 -0.06 0.00 0.37 0.00 0.00 40.66 42.62 3ea8 h LEU 227 CO 0.67 -0.28 0.13 -1.13 -0.34 0.00 0.00 178.44 177.49 3ea8 h ASN 228 N -0.16 0.09 -0.65 1.25 -1.24 -1.94 -0.66 115.58 112.27 3ea8 h ASN 228 Ca 0.21 0.06 -0.07 0.00 0.71 0.00 0.00 56.30 57.22 3ea8 h ASN 228 Cb 0.50 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.60 3ea8 h ASN 228 CO -0.57 0.08 0.13 0.44 -1.29 0.00 0.00 177.43 176.23 3ea8 h ASP 229 N 0.28 1.01 -0.63 1.15 3.32 -1.66 -2.41 116.42 117.48 3ea8 h ASP 229 Ca 0.22 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ea8 h ASP 229 Cb 0.24 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3ea8 h ASP 229 CO -0.25 1.00 0.38 0.15 -1.72 0.00 0.00 179.24 178.80 3ea8 h PHE 230 N 0.98 0.83 0.00 4.55 3.57 -0.06 -3.00 116.94 123.81 3ea8 h PHE 230 Ca 0.20 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3ea8 h PHE 230 Cb 0.40 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3ea8 h PHE 230 CO 0.03 0.57 -0.13 -0.91 -2.23 0.00 0.00 178.31 175.63 3ea8 h ASN 231 N 0.85 0.00 -0.20 0.41 2.35 -0.66 -0.03 115.58 118.31 3ea8 h ASN 231 Ca 0.23 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 3ea8 h ASN 231 Cb -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3ea8 h ASN 231 CO -0.04 0.13 -0.22 -0.07 -1.65 0.00 0.00 177.43 175.58 3ea8 h LEU 232 N 0.00 0.66 -0.17 1.61 3.38 -1.31 -1.91 115.31 117.57 3ea8 h LEU 232 Ca -0.00 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3ea8 h LEU 232 Cb 0.47 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ea8 h LEU 232 CO 0.02 0.87 -0.32 0.58 0.09 0.00 0.00 178.44 179.68 3ea8 h VAL 233 N 0.58 1.35 -0.29 1.22 2.07 -1.22 -3.18 116.25 116.77 3ea8 h VAL 233 Ca 0.08 -1.56 0.06 0.00 0.82 0.00 0.00 66.70 66.11 3ea8 h VAL 233 Cb 0.69 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.32 3ea8 h VAL 233 CO 0.05 0.47 -0.11 0.00 0.02 0.00 0.00 177.57 178.00 3ea8 h ALA 234 N 0.58 0.13 -0.65 1.67 0.00 -0.91 -1.98 119.26 118.10 3ea8 h ALA 234 Ca 0.01 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.15 3ea8 h ALA 234 Cb 0.91 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 3ea8 h ALA 234 CO 0.07 -0.51 0.18 0.52 0.00 0.00 0.00 179.25 179.52 3ea8 h MET 235 N -0.06 0.31 0.00 0.00 2.07 -1.41 -1.09 114.93 114.75 3ea8 h MET 235 Ca 0.15 -0.02 -0.04 0.00 -2.07 0.00 0.00 59.70 57.72 3ea8 h MET 235 Cb 0.28 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.94 3ea8 h MET 235 CO -0.33 0.20 -0.19 -0.22 1.07 0.00 0.00 176.91 177.44 3ea8 h LYS 236 N 0.32 0.00 -0.44 1.72 3.64 -1.34 -2.67 116.57 117.79 3ea8 h LYS 236 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3ea8 h LYS 236 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3ea8 h LYS 236 CO -0.40 0.19 0.00 0.66 -2.27 0.00 0.00 179.45 177.63 3ea8 n TYR 237 N -4.13 0.93 -3.52 1.91 4.01 -0.51 -4.97 117.16 110.88 3ea8 n TYR 237 Ca -0.02 -0.63 -0.20 0.00 -0.16 0.00 0.00 57.90 56.89 3ea8 n TYR 237 Cb 0.26 -0.16 0.08 0.00 -0.31 0.00 0.00 39.34 39.21 3ea8 n TYR 237 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3ea8 n ASN 238 N 0.52 -3.51 -4.68 7.72 5.15 -0.59 -4.89 115.26 114.98 3ea8 n ASN 238 Ca 0.19 -0.61 -0.30 0.00 -0.60 0.00 0.00 54.58 53.26 3ea8 n ASN 238 Cb 0.70 -4.98 -0.08 0.00 -0.53 0.00 0.00 39.78 34.89 3ea8 n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3ea8 s TYR 239 N -3.37 2.98 0.40 1.20 1.51 -0.62 -1.65 117.35 117.80 3ea8 s TYR 239 Ca 0.22 -0.03 -0.26 0.00 -1.01 0.00 0.00 57.07 55.99 3ea8 s TYR 239 Cb -0.10 -1.53 -0.09 0.00 -0.11 0.00 0.00 41.96 40.13 3ea8 s TYR 239 CO 0.74 0.48 1.24 -1.21 -1.11 0.00 0.00 175.55 175.69 3ea8 s GLU 240 N -2.29 4.02 0.59 -0.62 2.02 -0.89 -4.25 118.70 117.30 3ea8 s GLU 240 Ca 0.25 2.02 -0.20 0.00 0.02 0.00 0.00 54.97 57.06 3ea8 s GLU 240 Cb -0.12 -2.74 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 3ea8 s GLU 240 CO 0.18 -0.40 1.23 -2.30 0.02 0.00 0.00 175.26 173.99 3ea8 n PRO 241 N 0.15 1.27 -3.30 0.39 -0.02 -1.26 -4.59 135.00 127.63 3ea8 n PRO 241 Ca 0.04 0.48 -0.38 0.00 -2.02 0.00 0.00 63.50 61.62 3ea8 n PRO 241 Cb 0.45 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 3ea8 n PRO 241 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ea8 s LEU 242 N -3.33 4.49 0.28 2.45 2.96 -1.26 -4.96 118.68 119.31 3ea8 s LEU 242 Ca 0.77 1.21 0.10 0.00 -0.22 0.00 0.00 54.13 55.98 3ea8 s LEU 242 Cb -0.41 -2.95 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 3ea8 s LEU 242 CO 0.45 0.24 -0.14 0.42 -1.32 0.00 0.00 176.35 176.01 3ea8 s THR 243 N -1.18 2.15 0.32 3.68 -4.23 -1.26 -4.98 115.64 110.14 3ea8 s THR 243 Ca 0.30 -2.28 0.05 0.00 -1.18 0.00 0.00 61.69 58.59 3ea8 s THR 243 Cb -0.18 -2.35 0.30 0.00 1.34 0.00 0.00 72.50 71.61 3ea8 s THR 243 CO 0.19 -0.38 1.85 -0.61 -0.54 0.00 0.00 174.62 175.13 3ea8 h GLN 244 N 2.27 0.81 -0.72 3.99 5.75 -1.99 -0.38 115.11 124.84 3ea8 h GLN 244 Ca -0.40 -0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.15 3ea8 h GLN 244 Cb 1.25 -0.18 -0.07 0.00 1.07 0.00 0.00 27.48 29.54 3ea8 h GLN 244 CO 0.64 0.54 0.36 -0.44 -2.65 0.00 0.00 178.83 177.27 3ea8 h ASP 245 N 0.83 0.46 -0.51 -0.69 5.19 -1.99 -0.66 116.42 119.05 3ea8 h ASP 245 Ca 0.47 0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.85 3ea8 h ASP 245 Cb 0.61 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 3ea8 h ASP 245 CO -0.24 0.26 -0.03 0.45 -3.12 0.00 0.00 179.24 176.56 3ea8 h HIS 246 N 0.60 1.05 -0.97 4.55 3.86 -1.48 -1.04 115.15 121.72 3ea8 h HIS 246 Ca 0.36 -0.18 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 3ea8 h HIS 246 Cb 0.38 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.53 3ea8 h HIS 246 CO -0.11 0.95 0.64 0.28 0.86 0.00 0.00 177.93 180.55 3ea8 h VAL 247 N 0.88 1.25 -0.48 2.45 2.07 -0.84 -1.73 116.25 119.85 3ea8 h VAL 247 Ca 0.16 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 3ea8 h VAL 247 Cb 0.56 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3ea8 h VAL 247 CO 0.03 0.24 0.05 0.44 0.02 0.00 0.00 177.57 178.35 3ea8 h ASP 248 N 1.32 0.79 -0.80 0.57 3.32 -0.71 -3.01 116.42 117.89 3ea8 h ASP 248 Ca 0.35 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3ea8 h ASP 248 Cb -0.15 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.15 3ea8 h ASP 248 CO -0.08 0.87 0.52 0.40 -1.72 0.00 0.00 179.24 179.24 3ea8 h ILE 249 N 0.69 1.16 0.00 0.35 2.04 -0.84 -0.70 117.51 120.21 3ea8 h ILE 249 Ca 0.14 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3ea8 h ILE 249 Cb 0.44 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3ea8 h ILE 249 CO 0.02 0.19 0.00 0.18 0.00 0.00 0.00 178.15 178.53 3ea8 n LEU 250 N -4.56 0.00 0.00 1.44 4.77 -0.68 -4.22 117.00 113.74 3ea8 n LEU 250 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3ea8 n LEU 250 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3ea8 n LEU 250 CO 0.35 0.00 0.48 0.61 -1.33 0.00 0.00 177.39 177.50 3ea8 n GLY 251 N 0.31 -2.80 0.31 -0.72 0.00 -0.27 -1.05 105.19 100.97 3ea8 n GLY 251 Ca 0.06 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.49 3ea8 n GLY 251 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ea8 h PRO 252 N 0.00 0.31 -0.18 1.61 0.11 -1.81 0.36 132.00 132.40 3ea8 h PRO 252 Ca 0.00 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 3ea8 h PRO 252 Cb 0.00 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3ea8 h PRO 252 CO 0.00 0.21 -0.34 -0.07 -0.21 0.00 0.00 178.00 177.59 3ea8 h LEU 253 N 0.32 0.39 -0.83 2.35 3.38 -1.83 -2.41 115.31 116.68 3ea8 h LEU 253 Ca 0.56 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 58.29 3ea8 h LEU 253 Cb 1.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3ea8 h LEU 253 CO -0.58 0.71 -0.09 -1.28 0.09 0.00 0.00 178.44 177.29 3ea8 h SER 254 N 0.32 0.77 -0.23 -0.43 0.87 0.13 -2.88 113.55 112.11 3ea8 h SER 254 Ca 0.04 -0.22 -0.16 0.00 -1.23 0.00 0.00 61.79 60.22 3ea8 h SER 254 Cb 0.76 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3ea8 h SER 254 CO 0.06 0.89 -0.49 0.00 -0.53 0.00 0.00 176.83 176.76 3ea8 h ALA 255 N 1.19 0.37 0.00 6.23 0.00 -0.84 -1.20 119.26 125.01 3ea8 h ALA 255 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ea8 h ALA 255 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ea8 h ALA 255 CO 0.03 0.54 0.00 -0.56 0.00 0.00 0.00 179.25 179.26 3ea8 h GLN 256 N 0.46 0.00 0.00 0.00 3.07 -1.44 -3.00 115.11 114.20 3ea8 h GLN 256 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3ea8 h GLN 256 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.66 3ea8 h GLN 256 CO 0.11 0.00 -1.09 0.25 0.09 0.00 0.00 178.83 178.18 3ea8 n THR 257 N -2.84 0.00 -1.36 1.86 -2.24 -1.09 -4.65 114.28 103.95 3ea8 n THR 257 Ca 0.04 -0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 3ea8 n THR 257 Cb 0.45 0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 69.52 3ea8 n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ea8 n GLY 258 N 1.47 1.30 3.28 3.38 0.00 -0.49 -4.98 105.19 109.15 3ea8 n GLY 258 Ca 0.03 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 3ea8 n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ea8 s ILE 259 N -2.35 4.03 0.16 -0.61 1.01 -0.99 -5.03 121.20 117.42 3ea8 s ILE 259 Ca 0.00 -1.22 -0.33 0.00 0.00 0.00 0.00 60.65 59.10 3ea8 s ILE 259 Cb 0.00 -3.36 -0.16 0.00 0.01 0.00 0.00 42.46 38.95 3ea8 s ILE 259 CO 0.00 -0.32 1.14 0.00 0.00 0.00 0.00 174.94 175.76 3ea8 n ALA 260 N 4.86 -0.99 -0.22 9.38 0.00 -1.26 -4.61 120.51 127.68 3ea8 n ALA 260 Ca -0.11 0.47 0.03 0.00 0.00 0.00 0.00 53.44 53.83 3ea8 n ALA 260 Cb 0.44 -2.00 0.13 0.00 0.00 0.00 0.00 19.45 18.02 3ea8 n ALA 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ea8 h VAL 261 N 2.65 0.49 0.00 0.00 2.07 -1.92 -0.66 116.25 118.87 3ea8 h VAL 261 Ca -0.43 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 3ea8 h VAL 261 Cb 1.35 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3ea8 h VAL 261 CO 0.70 0.03 -0.19 -0.07 0.02 0.00 0.00 177.57 178.05 3ea8 h LEU 262 N 0.17 0.00 -0.21 2.57 3.38 -1.90 0.17 115.31 119.49 3ea8 h LEU 262 Ca 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 3ea8 h LEU 262 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3ea8 h LEU 262 CO -0.53 0.19 -0.11 0.44 0.09 0.00 0.00 178.44 178.52 3ea8 h ASP 263 N 0.00 0.46 -0.77 -0.43 3.32 -1.42 -1.38 116.42 116.21 3ea8 h ASP 263 Ca -0.00 -0.42 0.07 0.00 0.02 0.00 0.00 57.03 56.70 3ea8 h ASP 263 Cb 0.72 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 40.08 3ea8 h ASP 263 CO 0.02 0.78 0.45 -0.03 -1.72 0.00 0.00 179.24 178.74 3ea8 h MET 264 N 0.14 0.78 -0.59 3.56 4.05 -0.54 -0.47 114.93 121.86 3ea8 h MET 264 Ca 0.04 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 3ea8 h MET 264 Cb 0.61 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 3ea8 h MET 264 CO 0.03 0.51 0.39 0.00 0.23 0.00 0.00 176.91 178.08 3ea8 h ALA 266 N 1.66 1.03 0.08 0.00 0.00 0.04 -1.01 119.26 121.06 3ea8 h ALA 266 Ca 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ea8 h ALA 266 Cb 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ea8 h ALA 266 CO -0.06 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.79 3ea8 h ALA 267 N 1.17 -0.11 -0.53 0.00 0.00 -0.35 -2.05 119.26 117.38 3ea8 h ALA 267 Ca 0.22 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.11 3ea8 h ALA 267 Cb 0.33 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 3ea8 h ALA 267 CO -0.00 -0.45 -0.01 1.25 0.00 0.00 0.00 179.25 180.04 3ea8 h LEU 268 N -0.33 -0.24 -0.91 0.00 5.85 -0.71 0.09 115.31 119.05 3ea8 h LEU 268 Ca -0.01 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3ea8 h LEU 268 Cb 0.28 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3ea8 h LEU 268 CO 0.02 -0.09 0.17 0.07 -0.34 0.00 0.00 178.44 178.27 3ea8 h LYS 269 N 0.11 0.97 -0.36 1.25 2.10 -1.09 -0.47 116.57 119.07 3ea8 h LYS 269 Ca 0.27 -0.21 0.02 0.00 -2.00 0.00 0.00 60.65 58.74 3ea8 h LYS 269 Cb 0.42 -0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 31.58 3ea8 h LYS 269 CO -0.45 0.85 0.20 1.49 -2.00 0.00 0.00 179.45 179.53 3ea8 h GLU 270 N 0.93 0.39 -0.61 0.07 4.81 -0.50 0.20 114.58 119.88 3ea8 h GLU 270 Ca 0.20 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3ea8 h GLU 270 Cb 0.31 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 3ea8 h GLU 270 CO -0.00 0.26 0.36 -0.07 -0.73 0.00 0.00 179.01 178.83 3ea8 h LEU 271 N 0.41 0.58 -0.88 1.64 3.38 -0.48 0.43 115.31 120.39 3ea8 h LEU 271 Ca 0.15 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3ea8 h LEU 271 Cb 0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3ea8 h LEU 271 CO -0.08 0.40 -0.07 -0.07 0.09 0.00 0.00 178.44 178.71 3ea8 h LEU 272 N 0.71 0.74 0.12 1.67 3.38 -0.72 0.22 115.31 121.41 3ea8 h LEU 272 Ca 0.25 -0.20 -0.27 0.00 0.09 0.00 0.00 57.88 57.75 3ea8 h LEU 272 Cb 0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3ea8 h LEU 272 CO -0.12 0.85 -1.25 1.56 0.09 0.00 0.00 178.44 179.57 3ea8 h GLN 273 N 0.70 0.25 -0.01 1.13 4.20 -0.57 -3.37 115.11 117.43 3ea8 h GLN 273 Ca 0.13 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3ea8 h GLN 273 Cb 0.53 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.46 3ea8 h GLN 273 CO 0.03 1.19 -0.32 0.09 -0.67 0.00 0.00 178.83 179.15 3ea8 n ASN 274 N -3.51 1.60 -0.43 1.46 3.02 0.15 -5.08 115.26 112.47 3ea8 n ASN 274 Ca -0.08 -1.30 0.03 0.00 -0.03 0.00 0.00 54.58 53.20 3ea8 n ASN 274 Cb 1.02 0.46 -0.01 0.00 -0.61 0.00 0.00 39.78 40.65 3ea8 n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ea8 n GLY 275 N 1.13 -1.91 0.73 7.41 0.00 0.75 -4.42 105.19 108.89 3ea8 n GLY 275 Ca 0.07 -1.34 0.12 0.00 0.00 0.00 0.00 46.02 44.86 3ea8 n GLY 275 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ea8 n MET 276 N -1.39 1.77 -3.55 1.61 2.81 -1.26 -4.67 117.12 112.45 3ea8 n MET 276 Ca 0.00 -1.47 -0.20 0.00 -1.81 0.00 0.00 57.70 54.22 3ea8 n MET 276 Cb 0.11 -1.47 0.07 0.00 -0.71 0.00 0.00 33.22 31.22 3ea8 n MET 276 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3ea8 n ASN 277 N 0.67 -2.98 -1.02 7.83 5.15 -1.26 -1.57 115.26 122.08 3ea8 n ASN 277 Ca 0.12 -0.65 -0.13 0.00 -0.60 0.00 0.00 54.58 53.31 3ea8 n ASN 277 Cb 0.54 -4.83 -0.06 0.00 -0.53 0.00 0.00 39.78 34.90 3ea8 n ASN 277 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ea8 n GLY 278 N -1.44 1.26 4.00 8.20 0.00 -1.26 -4.97 105.19 110.97 3ea8 n GLY 278 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 3ea8 n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ea8 s ARG 279 N -3.11 2.55 0.20 1.61 0.52 -0.61 -5.14 118.95 114.97 3ea8 s ARG 279 Ca 0.00 -1.49 0.07 0.00 -0.52 0.00 0.00 55.73 53.80 3ea8 s ARG 279 Cb 0.00 -2.62 -0.05 0.00 0.52 0.00 0.00 34.95 32.80 3ea8 s ARG 279 CO 0.00 -0.51 -0.14 0.95 0.02 0.00 0.00 175.30 175.62 3ea8 s THR 280 N -2.52 1.67 -0.09 0.02 -4.23 -1.26 -4.71 115.64 104.52 3ea8 s THR 280 Ca 0.55 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 3ea8 s THR 280 Cb -0.07 -2.01 0.02 0.00 1.34 0.00 0.00 72.50 71.78 3ea8 s THR 280 CO 0.34 -0.61 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.10 3ea8 s ILE 281 N -2.98 1.01 -1.22 2.99 1.01 0.00 -4.71 121.20 117.30 3ea8 s ILE 281 Ca 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 3ea8 s ILE 281 Cb -0.01 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.49 3ea8 s ILE 281 CO 0.06 0.35 0.16 0.18 0.00 0.00 0.00 174.94 175.69 3ea8 n LEU 282 N 4.48 -1.46 0.00 2.97 4.32 -1.26 -0.17 117.00 125.88 3ea8 n LEU 282 Ca -0.17 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 3ea8 n LEU 282 Cb 0.51 -2.30 0.00 0.00 -1.62 0.00 0.00 43.42 40.01 3ea8 n LEU 282 CO 0.20 -0.04 0.00 0.61 -1.22 0.00 0.00 177.39 176.94 3ea8 n GLY 283 N -0.97 1.25 3.90 -0.72 0.00 -1.26 -4.98 105.19 102.40 3ea8 n GLY 283 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 3ea8 n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ea8 s ALA 284 N -3.45 3.95 -1.19 4.61 0.00 0.76 -5.00 121.76 121.43 3ea8 s ALA 284 Ca 0.00 -0.83 0.24 0.00 0.00 0.00 0.00 51.96 51.37 3ea8 s ALA 284 Cb 0.00 -1.81 0.27 0.00 0.00 0.00 0.00 23.12 21.58 3ea8 s ALA 284 CO 0.00 0.79 1.25 0.00 0.00 0.00 0.00 175.76 177.80 3ea8 n ALA 285 N 0.56 3.86 -2.12 0.00 0.00 -1.26 -0.82 120.51 120.72 3ea8 n ALA 285 Ca -0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 53.44 52.82 3ea8 n ALA 285 Cb 0.52 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 3ea8 n ALA 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ea8 s ALA 286 N -2.89 0.71 0.23 0.00 0.00 -1.26 -4.92 121.76 113.64 3ea8 s ALA 286 Ca 0.13 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.43 3ea8 s ALA 286 Cb 0.17 0.61 -0.09 0.00 0.00 0.00 0.00 23.12 23.81 3ea8 s ALA 286 CO 0.72 -0.43 1.18 -0.51 0.00 0.00 0.00 175.76 176.71 3ea8 s LEU 287 N -2.99 4.48 -0.15 0.00 1.43 -1.26 -4.95 118.68 115.24 3ea8 s LEU 287 Ca 0.17 2.30 -0.12 0.00 -1.03 0.00 0.00 54.13 55.44 3ea8 s LEU 287 Cb 0.08 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 3ea8 s LEU 287 CO -0.03 -0.31 0.25 -0.70 0.23 0.00 0.00 176.35 175.79 3ea8 s GLU 288 N -0.82 4.11 -0.07 1.70 2.56 -1.26 -4.99 118.70 119.93 3ea8 s GLU 288 Ca 0.50 0.03 0.11 0.00 0.00 0.00 0.00 54.97 55.61 3ea8 s GLU 288 Cb -0.33 -3.38 0.17 0.00 2.00 0.00 0.00 34.13 32.59 3ea8 s GLU 288 CO 0.40 0.36 1.06 -0.40 -0.56 0.00 0.00 175.26 176.12 3ea8 n ASP 289 N 3.22 1.91 -1.37 -1.70 5.75 -1.26 -3.61 116.55 119.48 3ea8 n ASP 289 Ca -0.14 -2.58 -0.06 0.00 -0.01 0.00 0.00 54.79 52.00 3ea8 n ASP 289 Cb 0.52 -0.27 0.21 0.00 -1.03 0.00 0.00 41.12 40.56 3ea8 n ASP 289 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ea8 n GLU 290 N -0.97 2.16 -4.18 0.11 1.02 -1.26 -4.67 120.64 112.84 3ea8 n GLU 290 Ca 0.09 -3.11 -0.33 0.00 -0.02 0.00 0.00 57.16 53.79 3ea8 n GLU 290 Cb 0.53 -1.91 -0.15 0.00 -0.02 0.00 0.00 31.44 29.88 3ea8 n GLU 290 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3ea8 s PHE 291 N -3.19 2.81 0.81 -0.32 0.40 -1.26 -4.80 117.98 112.44 3ea8 s PHE 291 Ca 0.47 -1.35 -0.12 0.00 -0.60 0.00 0.00 56.93 55.34 3ea8 s PHE 291 Cb 0.41 -1.95 0.08 0.00 0.51 0.00 0.00 43.02 42.07 3ea8 s PHE 291 CO 0.04 -0.67 1.12 0.95 0.70 0.00 0.00 175.22 177.36 3ea8 s THR 292 N 1.21 2.67 0.28 0.64 -4.23 -1.26 -4.34 115.64 110.61 3ea8 s THR 292 Ca 0.02 0.22 -0.02 0.00 -1.18 0.00 0.00 61.69 60.73 3ea8 s THR 292 Cb -0.14 -3.05 0.27 0.00 1.34 0.00 0.00 72.50 70.92 3ea8 s THR 292 CO -0.08 -0.28 1.92 -0.65 -0.54 0.00 0.00 174.62 174.99 3ea8 h PRO 293 N -1.12 1.14 -0.56 3.99 0.11 -1.89 -2.00 132.00 131.67 3ea8 h PRO 293 Ca -0.47 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 65.60 3ea8 h PRO 293 Cb 1.29 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 3ea8 h PRO 293 CO 0.62 0.76 0.33 0.35 -0.21 0.00 0.00 178.00 179.85 3ea8 h PHE 294 N 1.18 0.62 -0.85 0.65 3.57 -1.96 -2.15 116.94 117.99 3ea8 h PHE 294 Ca 0.39 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.95 3ea8 h PHE 294 Cb 0.05 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 3ea8 h PHE 294 CO -0.00 0.35 0.56 -0.44 -2.23 0.00 0.00 178.31 176.55 3ea8 h ASP 295 N 0.66 0.89 -0.13 0.41 3.32 -1.80 -1.18 116.42 118.60 3ea8 h ASP 295 Ca 0.23 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3ea8 h ASP 295 Cb 0.04 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3ea8 h ASP 295 CO -0.11 0.61 -0.00 0.58 -1.72 0.00 0.00 179.24 178.60 3ea8 h VAL 296 N 1.03 1.26 -0.42 -1.35 2.07 -0.77 -2.31 116.25 115.76 3ea8 h VAL 296 Ca 0.34 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 3ea8 h VAL 296 Cb 0.07 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3ea8 h VAL 296 CO -0.11 0.25 -0.12 -0.37 0.02 0.00 0.00 177.57 177.23 3ea8 h VAL 297 N -0.04 1.26 -0.45 2.57 -1.51 -1.21 0.24 116.25 117.10 3ea8 h VAL 297 Ca 0.04 -1.17 0.09 0.00 -1.23 0.00 0.00 66.70 64.42 3ea8 h VAL 297 Cb 0.38 1.07 -0.09 0.00 -2.13 0.00 0.00 31.29 30.52 3ea8 h VAL 297 CO 0.01 0.40 -0.15 -0.09 -1.23 0.00 0.00 177.57 176.50 3ea8 h ARG 298 N 0.68 -0.05 0.00 5.19 1.12 -1.12 -3.29 114.38 116.91 3ea8 h ARG 298 Ca 0.11 0.00 -0.36 0.00 -1.11 0.00 0.00 59.98 58.63 3ea8 h ARG 298 Cb 0.60 0.01 -0.07 0.00 -0.01 0.00 0.00 29.97 30.50 3ea8 h ARG 298 CO 0.04 -0.03 -2.29 0.94 -3.11 0.00 0.00 179.97 175.51 3ea8 n GLN 299 N -5.36 0.68 -2.04 0.20 7.27 -0.88 -4.96 117.38 112.28 3ea8 n GLN 299 Ca 0.03 0.03 -0.31 0.00 0.07 0.00 0.00 57.00 56.82 3ea8 n GLN 299 Cb 0.27 -1.56 -0.00 0.00 2.41 0.00 0.00 30.24 31.36 3ea8 n GLN 299 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ea8 n SER 301 N -2.32 2.77 0.00 0.00 2.88 -1.26 -4.86 113.62 110.82 3ea8 n SER 301 Ca 0.06 1.03 0.13 0.00 -1.33 0.00 0.00 58.87 58.76 3ea8 n SER 301 Cb 0.54 -1.57 0.75 0.00 -0.75 0.00 0.00 64.21 63.18 3ea8 n SER 301 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ea8 n GLY 302 N 0.74 -0.97 3.04 0.46 0.00 -1.26 -4.59 105.19 102.61 3ea8 n GLY 302 Ca 0.09 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3ea8 n GLY 302 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ea8 s VAL 303 N -2.22 1.74 0.55 1.61 1.01 -1.26 -5.08 120.40 116.75 3ea8 s VAL 303 Ca 0.35 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 3ea8 s VAL 303 Cb 0.18 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 3ea8 s VAL 303 CO 0.35 0.37 1.08 0.28 0.00 0.00 0.00 175.10 177.17 3ea8 s THR 304 N 1.39 3.52 -1.22 3.92 -1.32 -1.26 -4.89 115.64 115.79 3ea8 s THR 304 Ca 0.02 0.86 -0.18 0.00 -1.21 0.00 0.00 61.69 61.19 3ea8 s THR 304 Cb -0.14 -3.34 -0.02 0.00 -1.51 0.00 0.00 72.50 67.49 3ea8 s THR 304 CO -0.10 -0.29 2.02 0.33 -2.21 0.00 0.00 174.62 174.37 3ea8 n PHE 305 N -1.52 3.25 0.00 9.09 7.35 0.15 -5.01 117.46 130.77 3ea8 n PHE 305 Ca 0.10 -2.49 0.00 0.00 -0.76 0.00 0.00 57.45 54.30 3ea8 n PHE 305 Cb 0.52 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 37.99 3ea8 n PHE 305 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00