#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aq8 h LEU 4 N 0.00 0.59 -3.17 0.99 5.85 -1.87 -2.37 115.31 115.33 2aq8 h LEU 4 Ca 0.00 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2aq8 h LEU 4 Cb 0.00 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 2aq8 h LEU 4 CO 0.00 0.40 -0.24 0.18 -0.34 0.00 0.00 178.44 178.44 2aq8 n LEU 5 N -4.47 3.38 -4.67 2.25 4.77 0.13 -4.70 117.00 113.69 2aq8 n LEU 5 Ca 0.07 -3.73 -0.44 0.00 -0.03 0.00 0.00 56.01 51.87 2aq8 n LEU 5 Cb 0.14 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 2aq8 n LEU 5 CO 0.35 1.25 1.52 -0.67 -1.33 0.00 0.00 177.39 178.50 2aq8 n ASP 6 N -1.12 3.87 0.00 -1.43 2.03 -0.89 -1.30 116.55 117.71 2aq8 n ASP 6 Ca 0.25 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.52 2aq8 n ASP 6 Cb 0.85 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 2aq8 n ASP 6 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2aq8 n GLY 7 N 4.36 1.92 3.76 0.27 0.00 -1.08 -4.95 105.19 109.47 2aq8 n GLY 7 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2aq8 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aq8 s LYS 8 N -0.25 4.75 -0.20 1.61 1.02 -0.42 -4.86 119.74 121.39 2aq8 s LYS 8 Ca 0.00 1.50 -0.07 0.00 0.02 0.00 0.00 55.97 57.42 2aq8 s LYS 8 Cb 0.00 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2aq8 s LYS 8 CO 0.00 0.41 0.06 1.03 -0.92 0.00 0.00 175.35 175.93 2aq8 s ARG 9 N -1.44 3.85 -0.03 1.68 0.52 -1.26 -0.65 118.95 121.63 2aq8 s ARG 9 Ca 0.44 -0.40 -0.00 0.00 -0.52 0.00 0.00 55.73 55.25 2aq8 s ARG 9 Cb -0.25 -3.25 0.03 0.00 0.52 0.00 0.00 34.95 32.00 2aq8 s ARG 9 CO 0.31 0.11 0.03 0.42 0.02 0.00 0.00 175.30 176.19 2aq8 s ILE 10 N 0.81 -0.00 -0.10 1.52 1.01 -0.09 0.92 121.20 125.27 2aq8 s ILE 10 Ca 0.03 0.23 -0.23 0.00 0.00 0.00 0.00 60.65 60.69 2aq8 s ILE 10 Cb -0.14 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 2aq8 s ILE 10 CO 0.02 0.13 0.68 -0.22 0.00 0.00 0.00 174.94 175.55 2aq8 s LEU 11 N 1.31 4.27 -0.23 2.97 1.98 -0.28 -1.56 118.68 127.14 2aq8 s LEU 11 Ca -0.06 1.09 0.02 0.00 -2.89 0.00 0.00 54.13 52.29 2aq8 s LEU 11 Cb -0.13 -3.03 0.05 0.00 0.66 0.00 0.00 46.19 43.74 2aq8 s LEU 11 CO -0.03 -0.16 -0.13 -0.69 -1.89 0.00 0.00 176.35 173.46 2aq8 s VAL 12 N 1.11 2.04 0.60 1.68 1.01 0.63 0.05 120.40 127.51 2aq8 s VAL 12 Ca 0.35 -1.38 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 2aq8 s VAL 12 Cb -0.17 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.16 2aq8 s VAL 12 CO 0.15 0.12 0.88 -0.94 0.00 0.00 0.00 175.10 175.31 2aq8 s SER 13 N 1.20 5.28 0.00 3.32 1.04 -0.49 -1.26 113.70 122.79 2aq8 s SER 13 Ca -0.05 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2aq8 s SER 13 Cb -0.18 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.67 2aq8 s SER 13 CO -0.07 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.54 2aq8 n GLY 14 N -2.57 0.70 3.70 7.32 0.00 -1.22 -4.01 105.19 109.12 2aq8 n GLY 14 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2aq8 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aq8 s ILE 15 N -2.24 4.46 0.00 -0.61 1.01 -1.26 -4.48 121.20 118.07 2aq8 s ILE 15 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.41 2aq8 s ILE 15 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.34 2aq8 s ILE 15 CO 0.00 0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.00 2aq8 n ILE 16 N 4.31 0.00 -4.34 2.92 0.13 -1.26 -4.67 119.36 116.45 2aq8 n ILE 16 Ca 0.09 0.00 -0.19 0.00 -1.10 0.00 0.00 62.75 61.55 2aq8 n ILE 16 Cb 0.48 -0.39 -0.09 0.00 -0.84 0.00 0.00 39.64 38.80 2aq8 n ILE 16 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 2aq8 s THR 17 N -1.50 0.28 -1.27 9.51 -4.23 -1.26 -4.71 115.64 112.45 2aq8 s THR 17 Ca 0.00 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.73 2aq8 s THR 17 Cb 0.00 -2.49 0.32 0.00 1.34 0.00 0.00 72.50 71.67 2aq8 s THR 17 CO 0.00 0.00 1.73 -0.90 -0.54 0.00 0.00 174.62 174.91 2aq8 n ASP 18 N -1.04 0.00 -0.87 3.99 5.75 -1.26 -2.08 116.55 121.05 2aq8 n ASP 18 Ca 0.01 0.16 0.11 0.00 -0.01 0.00 0.00 54.79 55.06 2aq8 n ASP 18 Cb 0.64 -0.36 0.09 0.00 -1.03 0.00 0.00 41.12 40.46 2aq8 n ASP 18 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2aq8 n SER 19 N -1.36 2.80 -4.62 -1.12 3.41 -1.26 -4.79 113.62 106.68 2aq8 n SER 19 Ca 0.09 -1.90 -0.47 0.00 -0.26 0.00 0.00 58.87 56.33 2aq8 n SER 19 Cb 0.21 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 2aq8 n SER 19 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2aq8 n SER 20 N 1.17 1.92 -0.32 4.04 7.64 -0.88 -4.66 113.62 122.53 2aq8 n SER 20 Ca 0.13 1.14 0.07 0.00 1.01 0.00 0.00 58.87 61.22 2aq8 n SER 20 Cb 0.55 -1.31 0.26 0.00 -1.01 0.00 0.00 64.21 62.71 2aq8 n SER 20 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2aq8 h ILE 21 N 2.79 0.96 0.00 0.44 2.04 -1.90 -0.89 117.51 120.95 2aq8 h ILE 21 Ca -0.44 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 2aq8 h ILE 21 Cb 1.32 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2aq8 h ILE 21 CO 0.72 0.17 -0.11 0.00 0.00 0.00 0.00 178.15 178.93 2aq8 h ALA 22 N 1.54 1.32 -0.36 1.87 0.00 -1.86 -0.11 119.26 121.65 2aq8 h ALA 22 Ca 0.45 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 2aq8 h ALA 22 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2aq8 h ALA 22 CO -0.21 0.14 0.10 0.35 0.00 0.00 0.00 179.25 179.63 2aq8 h PHE 23 N 0.00 0.60 -0.32 0.00 3.04 -1.42 0.63 116.94 119.47 2aq8 h PHE 23 Ca -0.00 -0.07 -0.17 0.00 3.98 0.00 0.00 57.97 61.71 2aq8 h PHE 23 Cb 0.31 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.64 2aq8 h PHE 23 CO 0.00 0.59 -0.47 0.45 -2.02 0.00 0.00 178.31 176.86 2aq8 h HIS 24 N 0.43 1.05 -0.18 0.41 3.86 -1.25 0.13 115.15 119.60 2aq8 h HIS 24 Ca 0.11 -0.35 0.04 0.00 -1.16 0.00 0.00 60.37 59.02 2aq8 h HIS 24 Cb 0.28 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 2aq8 h HIS 24 CO 0.01 1.16 -0.08 0.82 0.86 0.00 0.00 177.93 180.71 2aq8 h ILE 25 N 0.68 0.74 -0.17 2.45 2.04 -0.98 0.14 117.51 122.41 2aq8 h ILE 25 Ca 0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 2aq8 h ILE 25 Cb 1.06 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2aq8 h ILE 25 CO 0.11 0.00 0.10 0.00 0.00 0.00 0.00 178.15 178.36 2aq8 h ALA 26 N 1.11 0.21 -0.14 1.87 0.00 -0.57 -0.10 119.26 121.65 2aq8 h ALA 26 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2aq8 h ALA 26 Cb 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2aq8 h ALA 26 CO -0.22 -0.32 -0.06 -0.09 0.00 0.00 0.00 179.25 178.57 2aq8 h ARG 27 N 0.21 -0.03 -0.71 0.00 2.43 -0.59 -0.28 114.38 115.40 2aq8 h ARG 27 Ca 0.07 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2aq8 h ARG 27 Cb -0.01 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2aq8 h ARG 27 CO -0.03 -0.02 0.26 0.28 -1.51 0.00 0.00 179.97 178.94 2aq8 h VAL 28 N -0.04 1.25 -0.38 0.20 2.07 -0.79 -0.13 116.25 118.43 2aq8 h VAL 28 Ca 0.07 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.77 2aq8 h VAL 28 Cb 0.15 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2aq8 h VAL 28 CO -0.16 0.33 0.23 0.00 0.02 0.00 0.00 177.57 177.99 2aq8 h ALA 29 N 1.12 0.49 -0.32 1.67 0.00 -0.71 -0.39 119.26 121.11 2aq8 h ALA 29 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2aq8 h ALA 29 Cb 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2aq8 h ALA 29 CO -0.01 -0.10 0.17 1.96 0.00 0.00 0.00 179.25 181.27 2aq8 h GLN 30 N 0.47 0.45 -0.44 0.00 4.20 -0.79 -0.49 115.11 118.52 2aq8 h GLN 30 Ca 0.15 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.93 2aq8 h GLN 30 Cb -0.01 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2aq8 h GLN 30 CO -0.06 0.39 0.36 0.93 -0.67 0.00 0.00 178.83 179.78 2aq8 h GLU 31 N 0.40 0.00 -0.65 1.46 5.08 -0.62 -0.82 114.58 119.43 2aq8 h GLU 31 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2aq8 h GLU 31 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2aq8 h GLU 31 CO -0.02 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.03 2aq8 n GLN 32 N -4.12 3.35 -0.04 2.33 1.13 -0.19 -4.91 117.38 114.93 2aq8 n GLN 32 Ca 0.08 -2.57 0.00 0.00 -1.94 0.00 0.00 57.00 52.56 2aq8 n GLN 32 Cb 0.56 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 29.11 2aq8 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aq8 n GLY 33 N 1.15 0.48 3.79 1.08 0.00 -0.31 -0.69 105.19 110.68 2aq8 n GLY 33 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 2aq8 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aq8 s ALA 34 N -2.08 3.07 -0.25 4.61 0.00 -0.67 -2.64 121.76 123.80 2aq8 s ALA 34 Ca 0.00 0.65 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 2aq8 s ALA 34 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 2aq8 s ALA 34 CO 0.00 -0.16 0.14 -1.14 0.00 0.00 0.00 175.76 174.60 2aq8 s GLN 35 N -2.60 3.96 0.05 0.00 -0.44 0.18 -4.36 119.66 116.45 2aq8 s GLN 35 Ca 0.59 -0.33 0.02 0.00 -2.50 0.00 0.00 55.36 53.14 2aq8 s GLN 35 Cb -0.20 -3.50 -0.04 0.00 -1.64 0.00 0.00 33.01 27.63 2aq8 s GLN 35 CO 0.25 -0.02 0.05 -0.51 0.50 0.00 0.00 175.29 175.56 2aq8 s LEU 36 N 1.25 3.69 -0.10 3.68 1.43 -1.26 -0.91 118.68 126.46 2aq8 s LEU 36 Ca 0.07 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2aq8 s LEU 36 Cb -0.14 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 2aq8 s LEU 36 CO 0.06 0.21 -0.20 -0.69 0.23 0.00 0.00 176.35 175.96 2aq8 s VAL 37 N -1.27 2.47 0.02 -1.59 1.01 -0.60 -3.96 120.40 116.48 2aq8 s VAL 37 Ca 0.25 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 2aq8 s VAL 37 Cb -0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2aq8 s VAL 37 CO 0.17 0.55 0.13 -0.76 0.00 0.00 0.00 175.10 175.20 2aq8 s LEU 38 N 0.16 4.10 0.11 3.92 1.43 0.18 -0.27 118.68 128.31 2aq8 s LEU 38 Ca -0.11 0.20 0.10 0.00 -1.03 0.00 0.00 54.13 53.29 2aq8 s LEU 38 Cb -0.16 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 2aq8 s LEU 38 CO 0.06 0.23 -0.25 0.42 0.23 0.00 0.00 176.35 177.04 2aq8 s THR 39 N -1.33 2.09 0.01 5.49 -4.23 -0.39 0.22 115.64 117.51 2aq8 s THR 39 Ca 0.28 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 59.11 2aq8 s THR 39 Cb -0.12 -1.85 -0.01 0.00 1.34 0.00 0.00 72.50 71.85 2aq8 s THR 39 CO 0.19 0.08 0.03 -0.83 -0.54 0.00 0.00 174.62 173.55 2aq8 s GLY 40 N -1.92 0.16 -0.20 3.99 0.00 0.18 -3.37 107.32 106.15 2aq8 s GLY 40 Ca 0.12 -0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.41 2aq8 s GLY 40 CO 0.05 -0.47 -0.03 -0.12 0.00 0.00 0.00 173.10 172.53 2aq8 s PHE 41 N -1.32 2.98 0.00 1.90 5.36 -1.26 -0.25 117.98 125.40 2aq8 s PHE 41 Ca -0.14 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.15 2aq8 s PHE 41 Cb -0.08 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.52 2aq8 s PHE 41 CO -0.00 -0.37 0.00 -3.47 -1.46 0.00 0.00 175.22 169.92 2aq8 n ASP 42 N 4.42 0.00 -3.91 6.13 4.64 -1.26 -4.61 116.55 121.96 2aq8 n ASP 42 Ca -0.18 0.00 -0.43 0.00 -1.38 0.00 0.00 54.79 52.81 2aq8 n ASP 42 Cb 0.51 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.60 2aq8 n ASP 42 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2aq8 n ARG 43 N 0.00 4.48 0.07 -0.67 1.74 -1.26 -4.80 116.66 116.22 2aq8 n ARG 43 Ca 0.00 -4.37 -0.03 0.00 -0.77 0.00 0.00 57.85 52.68 2aq8 n ARG 43 Cb 0.00 -2.58 0.20 0.00 -1.02 0.00 0.00 32.46 29.06 2aq8 n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2aq8 h LEU 44 N 5.66 0.32 -0.18 0.55 -0.00 -1.92 -0.85 115.31 118.89 2aq8 h LEU 44 Ca 0.29 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 2aq8 h LEU 44 Cb 0.57 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 2aq8 h LEU 44 CO 1.37 0.71 0.07 -0.09 -0.00 0.00 0.00 178.44 180.50 2aq8 h ARG 45 N 0.25 0.27 -0.24 1.13 2.43 -1.99 0.25 114.38 116.47 2aq8 h ARG 45 Ca 0.02 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2aq8 h ARG 45 Cb 0.85 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 2aq8 h ARG 45 CO 0.07 0.34 0.00 1.25 -1.51 0.00 0.00 179.97 180.12 2aq8 h LEU 46 N 0.13 -0.09 -0.55 3.80 5.85 -1.87 -2.27 115.31 120.31 2aq8 h LEU 46 Ca 0.06 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2aq8 h LEU 46 Cb 0.18 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2aq8 h LEU 46 CO -0.00 -0.02 0.08 0.40 -0.34 0.00 0.00 178.44 178.56 2aq8 h ILE 47 N 0.08 1.25 -0.39 4.05 2.04 -0.87 -0.17 117.51 123.51 2aq8 h ILE 47 Ca 0.12 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 65.07 2aq8 h ILE 47 Cb 0.15 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 2aq8 h ILE 47 CO -0.19 0.35 0.02 -0.61 0.00 0.00 0.00 178.15 177.72 2aq8 h GLN 48 N 0.81 0.13 -0.63 2.37 5.75 -0.40 0.33 115.11 123.46 2aq8 h GLN 48 Ca 0.17 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 2aq8 h GLN 48 Cb 0.42 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 2aq8 h GLN 48 CO 0.01 0.08 0.35 -0.09 -2.65 0.00 0.00 178.83 176.53 2aq8 h ARG 49 N 0.13 0.89 -0.07 1.69 1.12 -0.76 0.56 114.38 117.94 2aq8 h ARG 49 Ca 0.19 -0.10 0.01 0.00 -1.11 0.00 0.00 59.98 58.97 2aq8 h ARG 49 Cb 0.26 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 2aq8 h ARG 49 CO -0.30 0.67 -0.02 0.82 -3.11 0.00 0.00 179.97 178.04 2aq8 h ILE 50 N 0.86 0.93 0.00 1.20 1.08 -0.64 -3.10 117.51 117.85 2aq8 h ILE 50 Ca 0.22 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.69 2aq8 h ILE 50 Cb 0.05 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 2aq8 h ILE 50 CO -0.04 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 177.77 2aq8 n THR 51 N -5.12 0.70 -0.06 -0.27 -2.24 0.11 -2.05 114.28 105.34 2aq8 n THR 51 Ca -0.05 -0.03 0.24 0.00 -2.27 0.00 0.00 64.05 61.94 2aq8 n THR 51 Cb 0.06 -0.86 0.72 0.00 -2.10 0.00 0.00 70.33 68.15 2aq8 n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2aq8 h ASP 52 N 0.00 0.00 1.20 3.42 3.45 -0.82 0.07 116.42 123.74 2aq8 h ASP 52 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2aq8 h ASP 52 Cb 0.55 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 2aq8 h ASP 52 CO 0.00 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.21 2aq8 n ARG 53 N -4.13 0.22 -1.75 3.56 3.00 -0.87 -4.85 116.66 111.84 2aq8 n ARG 53 Ca 0.13 0.27 -0.37 0.00 -0.01 0.00 0.00 57.85 57.86 2aq8 n ARG 53 Cb 0.79 -1.80 0.06 0.00 0.00 0.00 0.00 32.46 31.51 2aq8 n ARG 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2aq8 s LEU 54 N -4.38 3.67 0.64 0.55 1.43 0.01 -4.88 118.68 115.72 2aq8 s LEU 54 Ca 0.09 2.69 0.33 0.00 -1.03 0.00 0.00 54.13 56.20 2aq8 s LEU 54 Cb 0.12 -4.49 1.82 0.00 0.03 0.00 0.00 46.19 43.67 2aq8 s LEU 54 CO 0.52 -1.86 2.09 -0.65 0.23 0.00 0.00 176.35 176.68 2aq8 h PRO 55 N 0.87 0.00 -4.47 1.29 0.11 -1.88 -3.42 132.00 124.49 2aq8 h PRO 55 Ca -0.51 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.39 2aq8 h PRO 55 Cb 1.33 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.26 2aq8 h PRO 55 CO 0.55 0.00 -0.71 0.00 -0.21 0.00 0.00 178.00 177.63 2aq8 s ALA 56 N -4.32 0.66 0.45 -0.75 0.00 -1.26 -5.10 121.76 111.45 2aq8 s ALA 56 Ca -0.04 -1.05 -0.24 0.00 0.00 0.00 0.00 51.96 50.63 2aq8 s ALA 56 Cb 0.12 0.14 -0.07 0.00 0.00 0.00 0.00 23.12 23.31 2aq8 s ALA 56 CO 0.41 -0.18 1.25 -1.59 0.00 0.00 0.00 175.76 175.65 2aq8 s LYS 57 N -2.84 3.73 -0.15 0.00 0.00 -1.26 -4.98 119.74 114.25 2aq8 s LYS 57 Ca 0.01 1.99 -0.07 0.00 0.00 0.00 0.00 55.97 57.89 2aq8 s LYS 57 Cb -0.01 -2.52 0.06 0.00 0.00 0.00 0.00 37.83 35.36 2aq8 s LYS 57 CO -0.04 -0.63 0.34 0.00 0.00 0.00 0.00 175.35 175.02 2aq8 s ALA 58 N -1.39 -0.86 0.35 0.59 0.00 -1.26 -4.76 121.76 114.43 2aq8 s ALA 58 Ca 0.62 1.31 -0.28 0.00 0.00 0.00 0.00 51.96 53.61 2aq8 s ALA 58 Cb -0.34 -0.85 -0.11 0.00 0.00 0.00 0.00 23.12 21.82 2aq8 s ALA 58 CO 0.42 -0.28 1.46 -0.35 0.00 0.00 0.00 175.76 177.01 2aq8 n PRO 59 N 4.36 2.55 -4.33 0.00 -0.04 -1.25 -4.70 135.00 131.58 2aq8 n PRO 59 Ca -0.23 0.90 -0.34 0.00 -0.04 0.00 0.00 63.50 63.79 2aq8 n PRO 59 Cb 0.54 -2.60 -0.14 0.00 -0.04 0.00 0.00 33.50 31.25 2aq8 n PRO 59 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2aq8 s LEU 60 N -1.52 2.71 -0.01 1.53 2.96 -1.26 0.50 118.68 123.60 2aq8 s LEU 60 Ca 0.56 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 54.13 2aq8 s LEU 60 Cb -0.50 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 2aq8 s LEU 60 CO 0.61 0.07 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.76 2aq8 s LEU 61 N 0.93 2.56 0.08 -0.68 1.43 0.13 -4.97 118.68 118.18 2aq8 s LEU 61 Ca -0.02 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 2aq8 s LEU 61 Cb -0.15 -1.50 -0.06 0.00 0.03 0.00 0.00 46.19 44.51 2aq8 s LEU 61 CO -0.01 0.30 1.11 -0.70 0.23 0.00 0.00 176.35 177.29 2aq8 s GLU 62 N -1.01 4.52 -0.25 1.70 2.12 -1.26 -0.65 118.70 123.87 2aq8 s GLU 62 Ca 0.13 1.66 -0.02 0.00 0.36 0.00 0.00 54.97 57.10 2aq8 s GLU 62 Cb -0.10 -3.35 0.12 0.00 0.26 0.00 0.00 34.13 31.05 2aq8 s GLU 62 CO 0.02 -0.09 0.30 -1.17 -0.54 0.00 0.00 175.26 173.78 2aq8 s LEU 63 N 0.59 -0.33 -0.39 2.70 2.96 0.66 -4.83 118.68 120.03 2aq8 s LEU 63 Ca 0.54 -0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 54.01 2aq8 s LEU 63 Cb -0.27 0.67 0.01 0.00 0.50 0.00 0.00 46.19 47.09 2aq8 s LEU 63 CO 0.31 -0.34 0.36 -0.62 -1.32 0.00 0.00 176.35 174.73 2aq8 s ASP 64 N 2.41 6.15 0.50 3.68 2.15 -1.26 -4.02 116.67 126.27 2aq8 s ASP 64 Ca 0.09 -0.63 0.34 0.00 0.43 0.00 0.00 52.55 52.78 2aq8 s ASP 64 Cb -0.15 -2.19 1.67 0.00 -0.30 0.00 0.00 42.92 41.96 2aq8 s ASP 64 CO -0.21 -0.45 2.02 1.62 -0.17 0.00 0.00 175.17 177.97 2aq8 h VAL 65 N 5.63 0.00 -0.01 1.11 3.04 -1.97 0.22 116.25 124.27 2aq8 h VAL 65 Ca -0.28 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2aq8 h VAL 65 Cb 1.13 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 2aq8 h VAL 65 CO 0.74 0.00 -0.03 0.00 -1.01 0.00 0.00 177.57 177.26 2aq8 n GLN 66 N -2.76 1.52 -3.44 4.17 6.02 -1.26 -4.78 117.38 116.85 2aq8 n GLN 66 Ca -0.01 -0.85 -0.43 0.00 -0.01 0.00 0.00 57.00 55.70 2aq8 n GLN 66 Cb 0.14 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 2aq8 n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2aq8 s ASN 67 N -2.07 6.07 0.31 1.08 3.84 0.76 -4.95 114.94 119.98 2aq8 s ASN 67 Ca 0.37 -1.19 0.03 0.00 0.21 0.00 0.00 52.86 52.28 2aq8 s ASN 67 Cb 0.21 -2.15 0.62 0.00 -0.55 0.00 0.00 41.25 39.38 2aq8 s ASN 67 CO 0.36 -0.56 1.87 -0.33 -2.79 0.00 0.00 177.10 175.65 2aq8 h GLU 68 N 8.67 0.90 -0.31 0.43 4.39 -1.86 -1.73 114.58 125.07 2aq8 h GLU 68 Ca -0.27 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.23 2aq8 h GLU 68 Cb 1.11 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 2aq8 h GLU 68 CO 0.81 0.59 -0.39 1.49 -1.16 0.00 0.00 179.01 180.35 2aq8 h GLU 69 N 0.92 0.74 -0.71 2.33 4.22 -1.93 0.40 114.58 120.56 2aq8 h GLU 69 Ca 0.44 -0.38 0.02 0.00 0.08 0.00 0.00 59.36 59.52 2aq8 h GLU 69 Cb 0.44 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2aq8 h GLU 69 CO -0.20 1.00 0.45 0.45 -2.18 0.00 0.00 179.01 178.53 2aq8 h HIS 70 N 0.61 0.85 -0.30 0.92 3.86 -1.62 0.04 115.15 119.51 2aq8 h HIS 70 Ca 0.05 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.16 2aq8 h HIS 70 Cb 0.94 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 2aq8 h HIS 70 CO 0.05 0.51 -0.29 -0.07 0.86 0.00 0.00 177.93 178.99 2aq8 h LEU 71 N 0.90 0.77 -1.30 2.43 3.38 -1.18 -1.38 115.31 118.94 2aq8 h LEU 71 Ca 0.27 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2aq8 h LEU 71 Cb -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2aq8 h LEU 71 CO -0.09 1.08 0.19 0.00 0.09 0.00 0.00 178.44 179.71 2aq8 h ALA 72 N 0.71 1.45 -0.00 1.53 0.00 -0.59 -1.98 119.26 120.39 2aq8 h ALA 72 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2aq8 h ALA 72 Cb 0.86 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2aq8 h ALA 72 CO 0.07 0.42 -0.49 -1.13 0.00 0.00 0.00 179.25 178.12 2aq8 n SER 73 N -4.36 0.63 0.14 0.00 3.41 -0.03 -4.59 113.62 108.82 2aq8 n SER 73 Ca 0.04 -0.41 -0.13 0.00 -0.26 0.00 0.00 58.87 58.10 2aq8 n SER 73 Cb 0.15 0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 2aq8 n SER 73 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2aq8 h LEU 74 N 0.22 -0.73 -0.98 1.04 6.46 -0.44 -2.10 115.31 118.78 2aq8 h LEU 74 Ca 0.00 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 2aq8 h LEU 74 Cb 0.50 0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.64 2aq8 h LEU 74 CO 0.00 -0.37 0.64 0.00 -0.62 0.00 0.00 178.44 178.10 2aq8 h ALA 75 N 0.17 1.28 -0.25 1.25 0.00 -1.76 0.11 119.26 120.07 2aq8 h ALA 75 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2aq8 h ALA 75 Cb 0.51 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2aq8 h ALA 75 CO -0.11 0.56 0.15 0.78 0.00 0.00 0.00 179.25 180.63 2aq8 h GLY 76 N 1.26 0.37 0.97 0.00 0.00 -1.78 0.14 103.07 104.04 2aq8 h GLY 76 Ca 0.38 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.57 2aq8 h GLY 76 CO -0.11 0.15 0.53 3.21 0.00 0.00 0.00 176.54 180.32 2aq8 h ARG 77 N 0.31 1.03 -0.50 4.80 3.08 -0.83 0.25 114.38 122.52 2aq8 h ARG 77 Ca 0.09 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2aq8 h ARG 77 Cb 0.03 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 2aq8 h ARG 77 CO -0.02 0.68 0.08 0.28 -1.07 0.00 0.00 179.97 179.92 2aq8 h VAL 78 N 1.06 1.25 -0.60 2.04 2.07 -0.54 -0.90 116.25 120.64 2aq8 h VAL 78 Ca 0.30 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2aq8 h VAL 78 Cb -0.09 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2aq8 h VAL 78 CO -0.08 0.33 0.34 0.74 0.02 0.00 0.00 177.57 178.93 2aq8 h THR 79 N 0.70 1.19 -0.48 2.57 2.02 -0.12 0.44 112.91 119.22 2aq8 h THR 79 Ca 0.15 -0.45 0.09 0.00 0.77 0.00 0.00 66.41 66.97 2aq8 h THR 79 Cb 0.40 0.40 -0.08 0.00 -1.74 0.00 0.00 68.15 67.13 2aq8 h THR 79 CO 0.01 0.20 0.01 -0.08 0.37 0.00 0.00 175.52 176.03 2aq8 h GLU 80 N 0.81 0.13 -0.22 6.66 4.81 -0.38 0.36 114.58 126.75 2aq8 h GLU 80 Ca 0.21 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 2aq8 h GLU 80 Cb 0.02 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2aq8 h GLU 80 CO -0.04 0.08 -0.40 0.00 -0.73 0.00 0.00 179.01 177.93 2aq8 h ALA 81 N 1.42 0.90 -0.00 2.92 0.00 -0.20 -3.23 119.26 121.08 2aq8 h ALA 81 Ca 0.24 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2aq8 h ALA 81 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2aq8 h ALA 81 CO -0.39 0.63 -0.86 0.44 0.00 0.00 0.00 179.25 179.07 2aq8 n ILE 82 N -4.03 0.00 0.00 0.00 -5.35 0.05 -4.99 119.36 105.04 2aq8 n ILE 82 Ca -0.02 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2aq8 n ILE 82 Cb 0.50 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 2aq8 n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aq8 n GLY 83 N 1.46 1.53 3.46 3.28 0.00 0.13 -4.71 105.19 110.34 2aq8 n GLY 83 Ca 0.05 -1.38 -0.47 0.00 0.00 0.00 0.00 46.02 44.21 2aq8 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aq8 n ALA 84 N 2.78 -2.02 -0.24 4.61 0.00 -1.20 -1.08 120.51 123.36 2aq8 n ALA 84 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2aq8 n ALA 84 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2aq8 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aq8 n GLY 85 N 1.75 2.20 3.74 0.00 0.00 -1.26 -5.01 105.19 106.60 2aq8 n GLY 85 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2aq8 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aq8 s ASN 86 N -3.56 5.48 0.32 1.61 0.02 -0.24 -5.12 114.94 113.45 2aq8 s ASN 86 Ca 0.00 0.13 0.08 0.00 -1.02 0.00 0.00 52.86 52.05 2aq8 s ASN 86 Cb 0.00 -1.55 -0.06 0.00 0.02 0.00 0.00 41.25 39.66 2aq8 s ASN 86 CO 0.00 0.31 -0.06 -0.54 0.02 0.00 0.00 177.10 176.84 2aq8 s LYS 87 N -1.42 1.70 0.33 -0.60 1.02 -1.26 -4.83 119.74 114.68 2aq8 s LYS 87 Ca 0.19 -1.89 -0.26 0.00 0.02 0.00 0.00 55.97 54.03 2aq8 s LYS 87 Cb -0.12 -1.39 -0.09 0.00 -0.52 0.00 0.00 37.83 35.71 2aq8 s LYS 87 CO 0.09 0.05 1.00 -0.51 -0.92 0.00 0.00 175.35 175.06 2aq8 s LEU 88 N -3.54 4.34 -0.04 3.17 1.43 0.97 -4.70 118.68 120.32 2aq8 s LEU 88 Ca 0.32 1.97 0.22 0.00 -1.03 0.00 0.00 54.13 55.60 2aq8 s LEU 88 Cb 0.04 -3.97 -0.33 0.00 0.03 0.00 0.00 46.19 41.96 2aq8 s LEU 88 CO 0.15 -0.17 0.45 0.47 0.23 0.00 0.00 176.35 177.47 2aq8 n ASP 89 N 0.56 0.01 -3.79 2.29 8.00 0.26 -0.17 116.55 123.71 2aq8 n ASP 89 Ca 0.02 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.40 2aq8 n ASP 89 Cb 0.49 1.91 -0.09 0.00 -0.02 0.00 0.00 41.12 43.42 2aq8 n ASP 89 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2aq8 s GLY 90 N -4.59 -0.09 -0.03 0.44 0.00 -0.57 -0.91 107.32 101.57 2aq8 s GLY 90 Ca -0.08 0.15 -0.00 0.00 0.00 0.00 0.00 44.72 44.79 2aq8 s GLY 90 CO 0.90 -0.05 0.02 0.14 0.00 0.00 0.00 173.10 174.11 2aq8 s VAL 91 N -1.56 0.08 -0.20 1.40 1.01 -0.26 -1.13 120.40 119.74 2aq8 s VAL 91 Ca -0.12 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 2aq8 s VAL 91 Cb -0.05 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.14 2aq8 s VAL 91 CO 0.02 0.13 -0.13 -0.69 0.00 0.00 0.00 175.10 174.44 2aq8 s VAL 92 N 1.18 2.63 -0.33 2.92 1.01 0.11 -0.27 120.40 127.64 2aq8 s VAL 92 Ca -0.08 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 2aq8 s VAL 92 Cb -0.13 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2aq8 s VAL 92 CO -0.02 0.46 0.25 -2.28 0.00 0.00 0.00 175.10 173.51 2aq8 s HIS 93 N 1.36 3.23 -0.39 5.22 2.46 0.18 -1.40 115.29 125.95 2aq8 s HIS 93 Ca 0.05 -0.13 0.12 0.00 0.47 0.00 0.00 55.06 55.57 2aq8 s HIS 93 Cb -0.14 -2.49 0.37 0.00 -0.13 0.00 0.00 32.58 30.19 2aq8 s HIS 93 CO -0.09 -0.34 0.81 0.45 -2.47 0.00 0.00 174.74 173.11 2aq8 n SER 94 N 5.14 1.59 -4.15 9.88 2.88 -1.26 -1.83 113.62 125.86 2aq8 n SER 94 Ca -0.12 -3.08 -0.29 0.00 -1.33 0.00 0.00 58.87 54.05 2aq8 n SER 94 Cb 0.50 -0.59 -0.17 0.00 -0.75 0.00 0.00 64.21 63.20 2aq8 n SER 94 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2aq8 s ILE 95 N -2.95 1.69 -0.16 2.46 1.01 -1.26 -4.08 121.20 117.91 2aq8 s ILE 95 Ca 0.39 -0.82 -0.27 0.00 0.00 0.00 0.00 60.65 59.95 2aq8 s ILE 95 Cb 0.36 -1.47 0.07 0.00 0.01 0.00 0.00 42.46 41.43 2aq8 s ILE 95 CO -0.07 0.48 0.68 -0.83 0.00 0.00 0.00 174.94 175.20 2aq8 s GLY 96 N 0.32 -0.54 -0.24 6.18 0.00 -1.26 -4.58 107.32 107.20 2aq8 s GLY 96 Ca -0.13 1.65 -0.26 0.00 0.00 0.00 0.00 44.72 45.97 2aq8 s GLY 96 CO 0.06 1.33 0.74 -0.12 0.00 0.00 0.00 173.10 175.11 2aq8 s PHE 97 N -0.38 -0.75 -0.06 1.90 5.36 -1.26 -4.95 117.98 117.84 2aq8 s PHE 97 Ca -0.05 1.75 -0.03 0.00 -0.96 0.00 0.00 56.93 57.64 2aq8 s PHE 97 Cb -0.03 0.30 0.04 0.00 -0.34 0.00 0.00 43.02 42.99 2aq8 s PHE 97 CO 0.05 -0.40 0.13 1.41 -1.46 0.00 0.00 175.22 174.95 2aq8 s MET 98 N 0.12 0.05 0.62 10.12 -2.45 -1.26 -4.30 119.30 122.20 2aq8 s MET 98 Ca -0.01 0.41 -0.17 0.00 -1.25 0.00 0.00 55.69 54.66 2aq8 s MET 98 Cb -0.04 -0.24 -0.07 0.00 1.25 0.00 0.00 34.83 35.73 2aq8 s MET 98 CO 0.02 -0.22 0.51 -2.30 1.05 0.00 0.00 175.02 174.08 2aq8 n PRO 99 N 4.61 0.45 -0.22 4.11 -0.02 -1.26 -4.83 135.00 137.83 2aq8 n PRO 99 Ca -0.19 0.18 0.18 0.00 -2.02 0.00 0.00 63.50 61.65 2aq8 n PRO 99 Cb 0.51 -1.74 0.50 0.00 -0.02 0.00 0.00 33.50 32.75 2aq8 n PRO 99 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2aq8 h GLN 100 N 0.04 0.41 0.00 -0.52 4.20 -1.98 0.60 115.11 117.87 2aq8 h GLN 100 Ca -0.46 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 2aq8 h GLN 100 Cb 1.38 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 2aq8 h GLN 100 CO 0.45 0.27 -0.03 1.79 -0.67 0.00 0.00 178.83 180.65 2aq8 h THR 101 N 0.43 0.13 -0.28 -0.54 1.35 -1.96 -1.63 112.91 110.41 2aq8 h THR 101 Ca 0.44 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 2aq8 h THR 101 Cb 1.05 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2aq8 h THR 101 CO -0.16 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.74 2aq8 n GLY 102 N -0.58 0.54 3.34 5.82 0.00 0.20 -3.98 105.19 110.53 2aq8 n GLY 102 Ca -0.01 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 2aq8 n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2aq8 s MET 103 N -1.64 1.58 4.40 1.61 1.00 -0.61 -0.97 119.30 124.67 2aq8 s MET 103 Ca 0.28 -1.74 0.00 0.00 0.00 0.00 0.00 55.69 54.23 2aq8 s MET 103 Cb 0.15 0.35 0.00 0.00 0.00 0.00 0.00 34.83 35.33 2aq8 s MET 103 CO 0.21 -0.59 0.00 0.41 0.00 0.00 0.00 175.02 175.05 2aq8 n GLY 104 N -0.46 1.33 0.03 -0.03 0.00 0.15 -2.95 105.19 103.26 2aq8 n GLY 104 Ca 0.03 -0.63 0.14 0.00 0.00 0.00 0.00 46.02 45.57 2aq8 n GLY 104 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2aq8 n ILE 105 N 0.00 0.00 -1.68 -0.61 -0.00 -0.21 -4.46 119.36 112.39 2aq8 n ILE 105 Ca 0.00 -0.02 -0.49 0.00 -0.00 0.00 0.00 62.75 62.25 2aq8 n ILE 105 Cb 0.00 -0.34 -0.05 0.00 -0.00 0.00 0.00 39.64 39.25 2aq8 n ILE 105 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2aq8 n ASN 106 N -1.27 3.35 -4.61 7.28 5.15 -1.15 -4.84 115.26 119.16 2aq8 n ASN 106 Ca 0.12 0.99 -0.45 0.00 -0.60 0.00 0.00 54.58 54.63 2aq8 n ASN 106 Cb 0.28 -1.36 -0.02 0.00 -0.53 0.00 0.00 39.78 38.15 2aq8 n ASN 106 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2aq8 n PRO 107 N 6.27 1.47 -0.25 1.20 -0.02 -1.26 -4.67 135.00 137.74 2aq8 n PRO 107 Ca 0.22 0.52 0.06 0.00 -2.02 0.00 0.00 63.50 62.28 2aq8 n PRO 107 Cb 0.28 -1.98 0.18 0.00 -0.02 0.00 0.00 33.50 31.96 2aq8 n PRO 107 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2aq8 h PHE 108 N 2.74 0.19 0.00 6.00 3.57 -1.89 0.57 116.94 128.12 2aq8 h PHE 108 Ca -0.42 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2aq8 h PHE 108 Cb 1.33 0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.10 2aq8 h PHE 108 CO 0.51 -0.15 0.00 0.74 -2.23 0.00 0.00 178.31 177.18 2aq8 h PHE 109 N 0.21 0.00 -0.00 0.41 0.04 -1.95 -3.01 116.94 112.63 2aq8 h PHE 109 Ca 0.43 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.20 2aq8 h PHE 109 Cb 0.76 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.91 2aq8 h PHE 109 CO -0.31 0.00 -0.27 -0.25 -0.60 0.00 0.00 178.31 176.88 2aq8 n ASP 110 N -2.85 0.77 -4.65 2.17 9.92 0.19 -4.83 116.55 117.27 2aq8 n ASP 110 Ca -0.00 -0.64 -0.43 0.00 -0.53 0.00 0.00 54.79 53.19 2aq8 n ASP 110 Cb 0.21 0.10 -0.02 0.00 -0.64 0.00 0.00 41.12 40.76 2aq8 n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aq8 s ALA 111 N -2.62 3.50 0.44 2.24 0.00 -1.14 -4.97 121.76 119.20 2aq8 s ALA 111 Ca 0.22 0.61 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 2aq8 s ALA 111 Cb 0.19 -3.75 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 2aq8 s ALA 111 CO 0.55 -1.55 1.22 -2.14 0.00 0.00 0.00 175.76 173.84 2aq8 s PRO 112 N 4.12 3.83 0.42 0.00 0.02 -1.26 -4.85 135.00 137.28 2aq8 s PRO 112 Ca 0.67 1.93 0.12 0.00 0.02 0.00 0.00 61.00 63.74 2aq8 s PRO 112 Cb -0.27 -2.55 0.97 0.00 0.02 0.00 0.00 34.50 32.67 2aq8 s PRO 112 CO 0.25 -0.54 1.99 -0.92 -0.33 0.00 0.00 177.00 177.45 2aq8 h TYR 113 N 2.30 0.49 -0.94 6.54 3.20 -1.97 -0.79 116.97 125.80 2aq8 h TYR 113 Ca -0.49 0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.49 2aq8 h TYR 113 Cb 1.25 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 39.29 2aq8 h TYR 113 CO 0.53 0.25 0.60 0.00 -1.64 0.00 0.00 178.16 177.90 2aq8 h ALA 114 N 1.69 1.60 0.02 1.82 0.00 -1.98 0.42 119.26 122.82 2aq8 h ALA 114 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2aq8 h ALA 114 Cb 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2aq8 h ALA 114 CO -0.08 0.20 -0.01 -0.44 0.00 0.00 0.00 179.25 178.93 2aq8 h ASP 115 N 0.93 -0.02 -0.41 0.00 3.32 -1.52 -2.12 116.42 116.60 2aq8 h ASP 115 Ca 0.45 -0.44 0.06 0.00 0.02 0.00 0.00 57.03 57.11 2aq8 h ASP 115 Cb 0.44 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 2aq8 h ASP 115 CO -0.21 0.44 0.11 0.58 -1.72 0.00 0.00 179.24 178.44 2aq8 h VAL 116 N -0.48 0.82 -0.82 -1.35 2.07 -0.97 -1.00 116.25 114.52 2aq8 h VAL 116 Ca -0.00 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.46 2aq8 h VAL 116 Cb 0.46 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2aq8 h VAL 116 CO 0.00 0.05 0.53 -1.28 0.02 0.00 0.00 177.57 176.89 2aq8 h SER 117 N 0.26 0.87 -0.53 0.57 0.87 -0.19 0.42 113.55 115.81 2aq8 h SER 117 Ca 0.20 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 2aq8 h SER 117 Cb 0.22 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 2aq8 h SER 117 CO -0.23 0.60 0.15 0.50 -0.53 0.00 0.00 176.83 177.31 2aq8 h LYS 118 N 1.02 0.84 -0.49 2.24 3.64 -0.81 0.20 116.57 123.21 2aq8 h LYS 118 Ca 0.33 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2aq8 h LYS 118 Cb 0.02 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2aq8 h LYS 118 CO -0.12 0.78 0.31 0.78 -2.27 0.00 0.00 179.45 178.94 2aq8 h GLY 119 N 0.74 0.70 1.61 5.01 0.00 -0.16 -1.42 103.07 109.54 2aq8 h GLY 119 Ca 0.17 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 2aq8 h GLY 119 CO -0.00 0.27 -0.44 -2.22 0.00 0.00 0.00 176.54 174.15 2aq8 h ILE 120 N 0.66 1.31 0.39 2.60 2.04 0.06 -0.06 117.51 124.52 2aq8 h ILE 120 Ca 0.18 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.42 2aq8 h ILE 120 Cb -0.05 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2aq8 h ILE 120 CO -0.04 0.50 -0.37 -0.74 0.00 0.00 0.00 178.15 177.50 2aq8 h HIS 121 N 0.35 -1.00 -0.46 1.37 2.76 -0.30 0.22 115.15 118.08 2aq8 h HIS 121 Ca 0.03 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.06 2aq8 h HIS 121 Cb 0.91 0.39 -0.01 0.00 1.55 0.00 0.00 27.41 30.25 2aq8 h HIS 121 CO 0.03 -0.52 -0.25 0.82 -1.30 0.00 0.00 177.93 176.70 2aq8 h ILE 122 N -0.78 1.27 0.00 6.26 2.04 -1.18 -0.84 117.51 124.27 2aq8 h ILE 122 Ca -0.03 -1.42 -0.15 0.00 1.00 0.00 0.00 64.86 64.26 2aq8 h ILE 122 Cb 0.69 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2aq8 h ILE 122 CO -0.05 0.49 -1.27 0.28 0.00 0.00 0.00 178.15 177.60 2aq8 h SER 123 N 0.84 0.00 0.00 1.72 0.02 -0.93 -3.39 113.55 111.81 2aq8 h SER 123 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2aq8 h SER 123 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2aq8 h SER 123 CO 0.07 0.54 -0.00 0.00 -1.14 0.00 0.00 176.83 176.30 2aq8 n ALA 124 N -2.36 3.00 -0.26 3.77 0.00 0.63 -4.75 120.51 120.54 2aq8 n ALA 124 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 2aq8 n ALA 124 Cb 0.81 0.22 0.16 0.00 0.00 0.00 0.00 19.45 20.64 2aq8 n ALA 124 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2aq8 h TYR 125 N 0.00 1.07 0.00 0.00 5.03 -1.11 -1.33 116.97 120.63 2aq8 h TYR 125 Ca 0.00 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 2aq8 h TYR 125 Cb 0.00 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 37.93 2aq8 h TYR 125 CO 0.00 0.74 -0.01 0.66 -1.32 0.00 0.00 178.16 178.23 2aq8 h SER 126 N 1.10 0.00 -0.70 -2.11 4.64 -1.34 0.95 113.55 116.09 2aq8 h SER 126 Ca 0.28 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 2aq8 h SER 126 Cb 0.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 2aq8 h SER 126 CO -0.05 0.01 0.31 0.22 -0.87 0.00 0.00 176.83 176.45 2aq8 h TYR 127 N 0.00 1.03 -0.34 4.77 3.20 -1.51 0.65 116.97 124.78 2aq8 h TYR 127 Ca -0.00 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.70 2aq8 h TYR 127 Cb 0.04 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2aq8 h TYR 127 CO 0.00 0.78 -0.20 0.00 -1.64 0.00 0.00 178.16 177.10 2aq8 h ALA 128 N 1.14 0.48 -0.68 1.82 0.00 -0.95 -2.35 119.26 118.72 2aq8 h ALA 128 Ca 0.24 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2aq8 h ALA 128 Cb 0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2aq8 h ALA 128 CO -0.02 0.43 0.40 0.77 0.00 0.00 0.00 179.25 180.83 2aq8 h SER 129 N 0.50 0.63 -0.24 0.00 0.02 -1.09 0.12 113.55 113.50 2aq8 h SER 129 Ca 0.07 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2aq8 h SER 129 Cb 0.75 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2aq8 h SER 129 CO 0.06 0.42 -0.12 0.24 -1.14 0.00 0.00 176.83 176.29 2aq8 h MET 130 N 0.77 0.50 -0.83 3.45 2.07 -0.85 -1.16 114.93 118.87 2aq8 h MET 130 Ca 0.29 -0.22 0.01 0.00 -2.07 0.00 0.00 59.70 57.71 2aq8 h MET 130 Cb 0.11 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.79 2aq8 h MET 130 CO -0.15 0.77 0.55 0.00 1.07 0.00 0.00 176.91 179.16 2aq8 h ALA 131 N 0.71 1.05 -0.37 6.32 0.00 -1.16 0.11 119.26 125.92 2aq8 h ALA 131 Ca 0.05 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2aq8 h ALA 131 Cb 0.63 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2aq8 h ALA 131 CO 0.04 0.45 0.17 -0.22 0.00 0.00 0.00 179.25 179.69 2aq8 h LYS 132 N 1.12 0.35 -0.26 0.00 3.64 -0.58 0.01 116.57 120.84 2aq8 h LYS 132 Ca 0.31 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 2aq8 h LYS 132 Cb -0.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 2aq8 h LYS 132 CO -0.07 0.23 -0.16 0.00 -2.27 0.00 0.00 179.45 177.18 2aq8 h ALA 133 N 1.20 1.24 0.00 5.00 0.00 -0.73 -3.36 119.26 122.62 2aq8 h ALA 133 Ca 0.16 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2aq8 h ALA 133 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2aq8 h ALA 133 CO -0.12 0.49 -1.76 1.28 0.00 0.00 0.00 179.25 179.14 2aq8 n LEU 134 N -4.19 0.00 -0.35 0.00 4.77 -0.02 -4.32 117.00 112.89 2aq8 n LEU 134 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2aq8 n LEU 134 Cb 0.34 0.14 0.23 0.00 -2.33 0.00 0.00 43.42 41.79 2aq8 n LEU 134 CO 0.40 0.14 1.22 -0.07 -1.33 0.00 0.00 177.39 177.75 2aq8 h LEU 135 N 0.00 0.90 -2.37 2.23 3.38 -1.14 0.14 115.31 118.45 2aq8 h LEU 135 Ca -0.15 0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2aq8 h LEU 135 Cb 1.14 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2aq8 h LEU 135 CO 0.01 0.48 0.16 -0.65 0.09 0.00 0.00 178.44 178.53 2aq8 h PRO 136 N 0.97 0.00 -0.27 1.13 0.11 -1.78 -1.37 132.00 130.79 2aq8 h PRO 136 Ca 0.49 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.46 2aq8 h PRO 136 Cb 0.47 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.50 2aq8 h PRO 136 CO -0.26 0.00 -0.20 0.44 -0.21 0.00 0.00 178.00 177.77 2aq8 n ILE 137 N -3.53 2.48 -4.56 4.15 -5.35 0.45 -4.98 119.36 108.02 2aq8 n ILE 137 Ca -0.00 -2.90 -0.34 0.00 -0.27 0.00 0.00 62.75 59.23 2aq8 n ILE 137 Cb 0.26 -0.30 -0.11 0.00 -1.74 0.00 0.00 39.64 37.75 2aq8 n ILE 137 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2aq8 s MET 138 N -3.26 2.87 0.47 6.28 -1.94 -0.52 -0.02 119.30 123.18 2aq8 s MET 138 Ca 0.43 -0.52 -0.22 0.00 -1.71 0.00 0.00 55.69 53.67 2aq8 s MET 138 Cb 0.40 -2.65 -0.07 0.00 2.01 0.00 0.00 34.83 34.51 2aq8 s MET 138 CO -0.02 0.63 1.13 -0.80 -0.01 0.00 0.00 175.02 175.95 2aq8 s ASN 139 N -0.72 6.19 0.40 3.03 0.01 0.76 -4.90 114.94 119.71 2aq8 s ASN 139 Ca 0.11 2.21 -0.25 0.00 -0.71 0.00 0.00 52.86 54.22 2aq8 s ASN 139 Cb -0.11 -2.59 -0.11 0.00 0.41 0.00 0.00 41.25 38.84 2aq8 s ASN 139 CO 0.02 -0.90 1.02 -2.65 -1.51 0.00 0.00 177.10 173.08 2aq8 n PRO 140 N -0.61 1.39 -0.90 -0.60 -0.02 -1.24 -1.30 135.00 131.72 2aq8 n PRO 140 Ca 0.08 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2aq8 n PRO 140 Cb 0.49 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2aq8 n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aq8 n GLY 141 N 1.16 0.79 3.67 -1.23 0.00 0.13 -4.98 105.19 104.73 2aq8 n GLY 141 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2aq8 n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aq8 s GLY 142 N -1.94 1.58 -0.14 -0.02 0.00 -0.42 -4.88 107.32 101.49 2aq8 s GLY 142 Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 44.72 44.05 2aq8 s GLY 142 CO 0.00 0.09 0.30 -0.45 0.00 0.00 0.00 173.10 173.04 2aq8 s SER 143 N -3.72 0.02 -0.16 1.64 0.15 -0.09 -1.44 113.70 110.11 2aq8 s SER 143 Ca 0.67 0.68 -0.06 0.00 0.70 0.00 0.00 55.95 57.94 2aq8 s SER 143 Cb -0.15 0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 2aq8 s SER 143 CO 0.56 -0.22 0.05 -0.63 1.20 0.00 0.00 173.24 174.21 2aq8 s ILE 144 N 2.08 4.69 -0.06 6.45 1.01 0.21 -1.11 121.20 134.48 2aq8 s ILE 144 Ca -0.03 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.57 2aq8 s ILE 144 Cb -0.11 -3.09 0.01 0.00 0.01 0.00 0.00 42.46 39.28 2aq8 s ILE 144 CO -0.10 0.49 -0.12 -0.69 0.00 0.00 0.00 174.94 174.53 2aq8 s VAL 145 N 0.11 1.11 0.30 2.92 1.01 0.63 -0.51 120.40 125.97 2aq8 s VAL 145 Ca 0.04 -0.46 0.11 0.00 0.00 0.00 0.00 61.98 61.67 2aq8 s VAL 145 Cb -0.12 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2aq8 s VAL 145 CO 0.01 0.35 -0.16 -0.83 0.00 0.00 0.00 175.10 174.47 2aq8 s GLY 146 N 0.66 1.96 -0.18 4.51 0.00 -0.35 0.49 107.32 114.42 2aq8 s GLY 146 Ca -0.14 -1.93 -0.10 0.00 0.00 0.00 0.00 44.72 42.55 2aq8 s GLY 146 CO 0.04 -1.97 0.15 1.06 0.00 0.00 0.00 173.10 172.37 2aq8 s MET 147 N -3.55 4.02 0.14 2.90 -1.94 -0.76 -0.85 119.30 119.27 2aq8 s MET 147 Ca 0.31 -0.17 0.08 0.00 -1.71 0.00 0.00 55.69 54.20 2aq8 s MET 147 Cb -0.03 -3.37 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 2aq8 s MET 147 CO 0.16 0.41 -0.19 0.34 -0.01 0.00 0.00 175.02 175.73 2aq8 s ASP 148 N 0.04 2.59 -0.17 3.03 2.15 0.64 -4.91 116.67 120.04 2aq8 s ASP 148 Ca 0.10 -0.80 -0.00 0.00 0.43 0.00 0.00 52.55 52.29 2aq8 s ASP 148 Cb -0.11 -0.15 0.04 0.00 -0.30 0.00 0.00 42.92 42.40 2aq8 s ASP 148 CO 0.00 -0.01 -0.08 0.12 -0.17 0.00 0.00 175.17 175.03 2aq8 s PHE 149 N -1.75 1.92 -0.52 -5.34 5.36 -1.26 -1.74 117.98 114.65 2aq8 s PHE 149 Ca 0.12 -1.19 -0.39 0.00 -0.96 0.00 0.00 56.93 54.51 2aq8 s PHE 149 Cb -0.07 -1.42 -0.16 0.00 -0.34 0.00 0.00 43.02 41.02 2aq8 s PHE 149 CO 0.06 -0.64 2.24 -3.47 -1.46 0.00 0.00 175.22 171.95 2aq8 n ASP 150 N 4.82 1.22 -1.60 6.13 2.03 -1.26 -4.81 116.55 123.07 2aq8 n ASP 150 Ca -0.13 0.47 0.08 0.00 0.52 0.00 0.00 54.79 55.73 2aq8 n ASP 150 Cb 0.48 -1.05 0.36 0.00 -0.72 0.00 0.00 41.12 40.19 2aq8 n ASP 150 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2aq8 n PRO 151 N 7.93 4.07 0.26 -0.67 -0.04 -1.26 -4.59 135.00 140.70 2aq8 n PRO 151 Ca 0.51 -2.97 0.14 0.00 -0.04 0.00 0.00 63.50 61.14 2aq8 n PRO 151 Cb 0.08 -2.01 0.68 0.00 -0.04 0.00 0.00 33.50 32.22 2aq8 n PRO 151 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2aq8 h SER 152 N 3.77 0.00 -4.28 3.54 4.64 -1.94 -3.41 113.55 115.87 2aq8 h SER 152 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2aq8 h SER 152 Cb 1.63 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.46 2aq8 h SER 152 CO 0.32 0.11 -0.83 -0.13 -0.87 0.00 0.00 176.83 175.44 2aq8 s ARG 153 N -3.91 1.25 0.74 4.77 0.52 -1.26 -5.13 118.95 115.93 2aq8 s ARG 153 Ca -0.01 -0.91 -0.11 0.00 -0.52 0.00 0.00 55.73 54.18 2aq8 s ARG 153 Cb 0.11 -1.35 0.04 0.00 0.52 0.00 0.00 34.95 34.27 2aq8 s ARG 153 CO 0.57 0.34 1.09 0.00 0.02 0.00 0.00 175.30 177.32 2aq8 s ALA 154 N -0.83 2.37 0.09 2.13 0.00 -1.26 -5.06 121.76 119.20 2aq8 s ALA 154 Ca 0.06 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 2aq8 s ALA 154 Cb -0.09 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2aq8 s ALA 154 CO 0.02 -1.57 0.37 0.00 0.00 0.00 0.00 175.76 174.57 2aq8 s MET 155 N -4.78 0.98 0.59 0.00 0.23 -1.26 -5.15 119.30 109.92 2aq8 s MET 155 Ca 0.62 -0.64 -0.19 0.00 -1.03 0.00 0.00 55.69 54.45 2aq8 s MET 155 Cb -0.17 0.43 -0.03 0.00 -1.53 0.00 0.00 34.83 33.52 2aq8 s MET 155 CO 0.53 -0.36 1.23 -1.25 -2.03 0.00 0.00 175.02 173.14 2aq8 s PRO 156 N -3.37 2.94 0.00 3.16 0.04 -1.26 -4.08 135.00 132.42 2aq8 s PRO 156 Ca 0.00 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2aq8 s PRO 156 Cb 0.01 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2aq8 s PRO 156 CO -0.09 -1.25 0.00 0.00 0.04 0.00 0.00 177.00 175.70 2aq8 n ALA 157 N -1.57 0.00 0.24 8.56 0.00 -1.26 -4.53 120.51 121.94 2aq8 n ALA 157 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.69 2aq8 n ALA 157 Cb 0.49 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.44 2aq8 n ALA 157 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2aq8 h TYR 158 N 0.00 0.00 0.00 0.00 -1.99 -1.90 0.43 116.97 113.51 2aq8 h TYR 158 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2aq8 h TYR 158 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2aq8 h TYR 158 CO 0.00 0.16 0.00 0.09 -0.00 0.00 0.00 178.16 178.41 2aq8 n ASN 159 N -3.31 0.00 0.25 3.88 4.13 -1.26 -0.24 115.26 118.71 2aq8 n ASN 159 Ca 0.00 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.42 2aq8 n ASN 159 Cb 0.40 0.00 0.51 0.00 -1.54 0.00 0.00 39.78 39.15 2aq8 n ASN 159 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 2aq8 h TRP 160 N 0.00 0.00 -0.81 3.10 4.06 -1.36 -2.27 115.95 118.67 2aq8 h TRP 160 Ca 0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 2aq8 h TRP 160 Cb 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 2aq8 h TRP 160 CO 0.00 0.00 0.33 1.98 -3.56 0.00 0.00 178.44 177.19 2aq8 h MET 161 N 0.00 1.20 -0.62 0.49 4.05 -0.74 0.15 114.93 119.47 2aq8 h MET 161 Ca 0.00 -0.21 0.03 0.00 -0.28 0.00 0.00 59.70 59.23 2aq8 h MET 161 Cb 0.66 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.22 2aq8 h MET 161 CO 0.00 0.96 0.38 1.15 0.23 0.00 0.00 176.91 179.63 2aq8 h THR 162 N 1.17 1.08 -0.33 -0.77 2.02 -1.07 0.36 112.91 115.38 2aq8 h THR 162 Ca 0.27 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.22 2aq8 h THR 162 Cb 0.21 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 2aq8 h THR 162 CO -0.02 0.14 0.15 0.58 0.37 0.00 0.00 175.52 176.73 2aq8 h VAL 163 N 0.75 0.96 -0.95 3.16 2.07 -1.26 0.05 116.25 121.03 2aq8 h VAL 163 Ca 0.25 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.75 2aq8 h VAL 163 Cb 0.02 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 2aq8 h VAL 163 CO -0.10 0.06 0.59 0.00 0.02 0.00 0.00 177.57 178.14 2aq8 h ALA 164 N 1.18 1.36 -0.17 1.67 0.00 -0.18 -0.10 119.26 123.01 2aq8 h ALA 164 Ca 0.14 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2aq8 h ALA 164 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2aq8 h ALA 164 CO -0.11 0.27 -0.41 0.87 0.00 0.00 0.00 179.25 179.87 2aq8 h LYS 165 N 1.00 0.40 -0.53 0.00 1.79 -0.23 0.13 116.57 119.13 2aq8 h LYS 165 Ca 0.44 -0.20 -0.02 0.00 -2.18 0.00 0.00 60.65 58.69 2aq8 h LYS 165 Cb 0.32 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2aq8 h LYS 165 CO -0.22 0.75 0.26 0.77 -1.08 0.00 0.00 179.45 179.93 2aq8 h SER 166 N 0.33 0.69 -0.40 0.86 0.02 0.14 0.40 113.55 115.60 2aq8 h SER 166 Ca 0.03 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2aq8 h SER 166 Cb 0.87 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 2aq8 h SER 166 CO 0.07 0.62 0.25 0.00 -1.14 0.00 0.00 176.83 176.64 2aq8 h ALA 167 N 1.10 0.51 -0.65 3.77 0.00 -0.64 -2.47 119.26 120.87 2aq8 h ALA 167 Ca 0.18 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2aq8 h ALA 167 Cb 0.11 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2aq8 h ALA 167 CO -0.02 -0.02 0.37 1.25 0.00 0.00 0.00 179.25 180.82 2aq8 h LEU 168 N 0.53 0.56 -0.87 0.00 6.46 -0.15 0.24 115.31 122.08 2aq8 h LEU 168 Ca 0.14 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 2aq8 h LEU 168 Cb -0.04 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 39.77 2aq8 h LEU 168 CO -0.03 0.37 0.35 -0.33 -0.62 0.00 0.00 178.44 178.19 2aq8 h GLU 169 N 0.69 1.17 -0.40 1.25 5.08 -0.74 0.15 114.58 121.78 2aq8 h GLU 169 Ca 0.28 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2aq8 h GLU 169 Cb 0.14 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2aq8 h GLU 169 CO -0.16 0.92 0.00 1.03 -1.00 0.00 0.00 179.01 179.81 2aq8 h SER 170 N 1.15 0.68 -0.59 1.42 0.87 -0.83 -2.86 113.55 113.40 2aq8 h SER 170 Ca 0.27 -0.30 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2aq8 h SER 170 Cb 0.16 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 2aq8 h SER 170 CO -0.03 0.82 0.38 0.58 -0.53 0.00 0.00 176.83 178.05 2aq8 h VAL 171 N 0.53 1.12 -0.98 2.23 2.07 -0.03 -2.12 116.25 119.06 2aq8 h VAL 171 Ca 0.11 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.47 2aq8 h VAL 171 Cb 0.47 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.45 2aq8 h VAL 171 CO 0.02 0.14 0.63 -1.13 0.02 0.00 0.00 177.57 177.25 2aq8 h ASN 172 N 0.77 0.93 -0.03 0.57 -1.24 -0.56 0.26 115.58 116.29 2aq8 h ASN 172 Ca 0.22 0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.21 2aq8 h ASN 172 Cb -0.05 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 2aq8 h ASN 172 CO -0.07 0.54 -0.14 0.03 -1.29 0.00 0.00 177.43 176.50 2aq8 h ARG 173 N 1.02 0.35 0.02 6.67 3.08 -1.16 -0.18 114.38 124.18 2aq8 h ARG 173 Ca 0.46 -0.09 -0.26 0.00 0.07 0.00 0.00 59.98 60.16 2aq8 h ARG 173 Cb 0.39 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.41 2aq8 h ARG 173 CO -0.22 0.49 -1.05 0.74 -1.07 0.00 0.00 179.97 178.86 2aq8 h PHE 174 N 0.32 0.93 -0.91 3.04 0.04 -0.91 -3.13 116.94 116.31 2aq8 h PHE 174 Ca 0.06 -0.52 0.03 0.00 2.80 0.00 0.00 57.97 60.34 2aq8 h PHE 174 Cb 0.45 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.45 2aq8 h PHE 174 CO 0.01 1.35 0.60 0.28 -0.60 0.00 0.00 178.31 179.96 2aq8 h VAL 175 N 0.34 1.18 -0.85 -0.55 2.07 -0.23 -1.39 116.25 116.82 2aq8 h VAL 175 Ca -0.12 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.04 2aq8 h VAL 175 Cb 1.70 -0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2aq8 h VAL 175 CO 0.20 0.22 0.56 0.00 0.02 0.00 0.00 177.57 178.56 2aq8 h ALA 176 N 1.45 1.53 -0.24 1.67 0.00 -1.02 0.56 119.26 123.21 2aq8 h ALA 176 Ca 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2aq8 h ALA 176 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2aq8 h ALA 176 CO -0.10 0.36 0.08 0.00 0.00 0.00 0.00 179.25 179.59 2aq8 h ARG 177 N 0.99 0.37 -0.18 0.00 3.08 -1.21 0.37 114.38 117.80 2aq8 h ARG 177 Ca 0.36 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 2aq8 h ARG 177 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2aq8 h ARG 177 CO -0.12 0.45 0.03 0.93 -1.07 0.00 0.00 179.97 180.18 2aq8 h GLU 178 N 0.22 0.31 -0.42 0.04 4.39 -0.99 -3.20 114.58 114.92 2aq8 h GLU 178 Ca 0.08 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2aq8 h GLU 178 Cb 0.23 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2aq8 h GLU 178 CO -0.00 0.47 0.03 0.00 -1.16 0.00 0.00 179.01 178.35 2aq8 h ALA 179 N 0.82 1.26 -0.69 3.43 0.00 0.20 -2.40 119.26 121.88 2aq8 h ALA 179 Ca 0.06 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 54.90 2aq8 h ALA 179 Cb 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2aq8 h ALA 179 CO 0.00 0.50 0.47 0.78 0.00 0.00 0.00 179.25 181.00 2aq8 h GLY 180 N 0.91 0.48 1.51 0.00 0.00 -0.64 0.17 103.07 105.49 2aq8 h GLY 180 Ca 0.13 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.40 2aq8 h GLY 180 CO 0.01 0.04 0.20 0.50 0.00 0.00 0.00 176.54 177.29 2aq8 h LYS 181 N 0.28 0.12 -0.31 4.80 1.57 -1.50 -1.67 116.57 119.85 2aq8 h LYS 181 Ca 0.34 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2aq8 h LYS 181 Cb 0.91 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2aq8 h LYS 181 CO -0.08 0.08 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 2aq8 n TYR 182 N -4.48 0.41 -1.78 -1.35 4.01 0.46 -4.91 117.16 109.52 2aq8 n TYR 182 Ca 0.03 -0.20 -0.11 0.00 -0.16 0.00 0.00 57.90 57.46 2aq8 n TYR 182 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 2aq8 n TYR 182 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aq8 n GLY 183 N 1.32 0.56 3.53 2.72 0.00 -0.63 -3.63 105.19 109.05 2aq8 n GLY 183 Ca 0.18 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2aq8 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aq8 s VAL 184 N -2.49 3.57 0.29 1.61 1.01 -0.46 0.17 120.40 124.09 2aq8 s VAL 184 Ca 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 2aq8 s VAL 184 Cb 0.00 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.84 2aq8 s VAL 184 CO 0.00 0.57 0.59 -0.13 0.00 0.00 0.00 175.10 176.13 2aq8 s ARG 185 N -0.43 3.71 -0.05 2.72 0.52 -0.52 -2.57 118.95 122.33 2aq8 s ARG 185 Ca 0.06 0.17 -0.00 0.00 -0.52 0.00 0.00 55.73 55.43 2aq8 s ARG 185 Cb -0.12 -2.61 0.03 0.00 0.52 0.00 0.00 34.95 32.77 2aq8 s ARG 185 CO 0.02 0.21 0.00 0.45 0.02 0.00 0.00 175.30 176.00 2aq8 s SER 186 N -2.90 1.07 0.09 0.23 0.15 -1.26 0.66 113.70 111.75 2aq8 s SER 186 Ca 0.46 -0.05 -0.13 0.00 0.70 0.00 0.00 55.95 56.93 2aq8 s SER 186 Cb -0.11 -0.34 0.02 0.00 -1.71 0.00 0.00 66.02 63.88 2aq8 s SER 186 CO 0.27 -0.15 0.29 0.20 1.20 0.00 0.00 173.24 175.05 2aq8 s ASN 187 N 1.53 -0.07 0.04 5.45 0.01 0.33 0.46 114.94 122.69 2aq8 s ASN 187 Ca -0.02 -0.41 0.03 0.00 -0.71 0.00 0.00 52.86 51.75 2aq8 s ASN 187 Cb -0.13 0.39 -0.04 0.00 0.41 0.00 0.00 41.25 41.88 2aq8 s ASN 187 CO -0.03 -0.74 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.05 2aq8 s LEU 188 N -2.61 3.42 -0.31 0.60 1.43 0.29 -1.20 118.68 120.29 2aq8 s LEU 188 Ca 0.01 -0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 2aq8 s LEU 188 Cb 0.02 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 2aq8 s LEU 188 CO -0.09 0.24 0.17 -0.69 0.23 0.00 0.00 176.35 176.21 2aq8 s VAL 189 N -1.16 4.80 -0.54 -1.59 1.01 -0.03 -0.11 120.40 122.79 2aq8 s VAL 189 Ca 0.22 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 2aq8 s VAL 189 Cb -0.11 -3.42 0.05 0.00 0.00 0.00 0.00 36.38 32.89 2aq8 s VAL 189 CO 0.13 0.09 0.83 0.00 0.00 0.00 0.00 175.10 176.15 2aq8 s ALA 190 N 1.65 3.24 0.31 5.51 0.00 0.79 -0.26 121.76 133.00 2aq8 s ALA 190 Ca 0.05 -1.45 -0.07 0.00 0.00 0.00 0.00 51.96 50.50 2aq8 s ALA 190 Cb -0.17 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.29 2aq8 s ALA 190 CO 0.07 -2.27 0.60 0.00 0.00 0.00 0.00 175.76 174.17 2aq8 s ALA 191 N 3.48 3.55 1.13 0.00 0.00 -0.71 -0.34 121.76 128.87 2aq8 s ALA 191 Ca 0.24 -0.45 -0.16 0.00 0.00 0.00 0.00 51.96 51.60 2aq8 s ALA 191 Cb -0.15 -2.41 0.25 0.00 0.00 0.00 0.00 23.12 20.82 2aq8 s ALA 191 CO 0.16 0.21 1.07 0.20 0.00 0.00 0.00 175.76 177.41 2aq8 s GLY 192 N -3.08 1.55 0.21 0.00 0.00 -0.60 -4.60 107.32 100.81 2aq8 s GLY 192 Ca 0.46 -0.57 -0.30 0.00 0.00 0.00 0.00 44.72 44.31 2aq8 s GLY 192 CO 0.29 0.18 1.38 2.56 0.00 0.00 0.00 173.10 177.51 2aq8 s PRO 193 N -5.04 4.33 -0.09 2.90 0.04 -1.26 -5.00 135.00 130.88 2aq8 s PRO 193 Ca 0.68 2.16 0.05 0.00 0.04 0.00 0.00 61.00 63.93 2aq8 s PRO 193 Cb -0.16 -3.16 -0.00 0.00 0.04 0.00 0.00 34.50 31.21 2aq8 s PRO 193 CO 0.58 -0.34 -0.24 0.42 0.04 0.00 0.00 177.00 177.46 2aq8 s ILE 194 N 0.16 2.01 -0.97 0.56 -1.09 -1.26 -4.27 121.20 116.34 2aq8 s ILE 194 Ca 0.59 -1.01 -0.20 0.00 -2.23 0.00 0.00 60.65 57.79 2aq8 s ILE 194 Cb -0.39 -1.73 -0.10 0.00 -1.58 0.00 0.00 42.46 38.65 2aq8 s ILE 194 CO 0.39 0.55 1.98 0.54 -1.23 0.00 0.00 174.94 177.18 2aq8 n ARG 195 N 3.37 1.84 -1.48 2.79 5.12 0.45 -4.69 116.66 124.06 2aq8 n ARG 195 Ca -0.19 -2.11 -0.29 0.00 -1.93 0.00 0.00 57.85 53.33 2aq8 n ARG 195 Cb 0.53 -3.09 0.17 0.00 -1.16 0.00 0.00 32.46 28.91 2aq8 n ARG 195 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2aq8 s THR 196 N 5.18 1.90 0.19 0.55 -4.23 -1.26 -4.74 115.64 113.23 2aq8 s THR 196 Ca 0.56 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.95 2aq8 s THR 196 Cb 0.13 -2.72 0.11 0.00 1.34 0.00 0.00 72.50 71.36 2aq8 s THR 196 CO 0.08 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.14 2aq8 h LEU 197 N -1.82 0.09 -0.52 4.79 5.85 -1.91 -0.11 115.31 121.69 2aq8 h LEU 197 Ca -0.48 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 2aq8 h LEU 197 Cb 1.30 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 2aq8 h LEU 197 CO 0.50 0.07 0.28 0.00 -0.34 0.00 0.00 178.44 178.95 2aq8 h ALA 198 N 1.38 0.66 -0.25 1.25 0.00 -1.95 0.41 119.26 120.76 2aq8 h ALA 198 Ca 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2aq8 h ALA 198 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2aq8 h ALA 198 CO -0.30 0.19 0.15 0.52 0.00 0.00 0.00 179.25 179.81 2aq8 h MET 199 N 0.69 0.34 -0.60 0.00 2.86 -1.61 -0.06 114.93 116.55 2aq8 h MET 199 Ca 0.18 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.86 2aq8 h MET 199 Cb 0.06 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.59 2aq8 h MET 199 CO -0.03 0.27 0.28 0.77 1.06 0.00 0.00 176.91 179.26 2aq8 h SER 200 N 0.32 0.36 -0.77 1.22 0.02 -0.79 -0.10 113.55 113.80 2aq8 h SER 200 Ca 0.09 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2aq8 h SER 200 Cb 0.02 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 2aq8 h SER 200 CO -0.02 0.23 0.48 0.00 -1.14 0.00 0.00 176.83 176.38 2aq8 h ALA 201 N 1.36 1.02 -0.35 3.77 0.00 -0.48 0.14 119.26 124.72 2aq8 h ALA 201 Ca 0.28 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2aq8 h ALA 201 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2aq8 h ALA 201 CO -0.23 0.24 0.04 0.82 0.00 0.00 0.00 179.25 180.12 2aq8 h ILE 202 N 0.91 1.24 -0.94 0.00 2.04 -0.53 0.12 117.51 120.36 2aq8 h ILE 202 Ca 0.32 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 65.32 2aq8 h ILE 202 Cb 0.08 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 2aq8 h ILE 202 CO -0.14 0.29 0.61 0.58 0.00 0.00 0.00 178.15 179.50 2aq8 h VAL 203 N 0.42 1.18 0.00 1.67 2.07 -0.75 -0.42 116.25 120.42 2aq8 h VAL 203 Ca 0.10 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2aq8 h VAL 203 Cb 0.39 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2aq8 h VAL 203 CO 0.01 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.43 2aq8 n GLY 204 N -1.35 -0.67 0.19 2.17 0.00 0.46 -4.60 105.19 101.37 2aq8 n GLY 204 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2aq8 n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aq8 n GLY 205 N 0.31 0.92 0.38 -0.02 0.00 -0.17 -4.98 105.19 101.63 2aq8 n GLY 205 Ca 0.13 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.34 2aq8 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aq8 h ALA 206 N 0.00 2.44 -0.54 4.61 0.00 -0.90 0.78 119.26 125.66 2aq8 h ALA 206 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 2aq8 h ALA 206 Cb 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.67 2aq8 h ALA 206 CO 0.00 -0.59 0.14 1.28 0.00 0.00 0.00 179.25 180.08 2aq8 n LEU 207 N -4.39 4.93 0.00 0.00 4.32 -1.26 -5.01 117.00 115.59 2aq8 n LEU 207 Ca 0.10 -3.58 0.00 0.00 -0.02 0.00 0.00 56.01 52.50 2aq8 n LEU 207 Cb 0.57 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 2aq8 n LEU 207 CO 0.36 1.09 0.00 0.61 -1.22 0.00 0.00 177.39 178.23 2aq8 n GLY 208 N -0.95 2.57 0.21 -0.72 0.00 0.27 -1.05 105.19 105.52 2aq8 n GLY 208 Ca 0.39 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 2aq8 n GLY 208 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2aq8 h GLU 209 N 0.00 0.70 -0.51 1.61 4.57 -1.94 -1.68 114.58 117.34 2aq8 h GLU 209 Ca 0.00 -0.33 -0.08 0.00 -1.18 0.00 0.00 59.36 57.76 2aq8 h GLU 209 Cb 0.00 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2aq8 h GLU 209 CO 0.00 0.94 -0.01 1.49 -1.18 0.00 0.00 179.01 180.25 2aq8 h GLU 210 N 0.47 0.90 -0.78 1.92 4.81 -1.95 0.17 114.58 120.12 2aq8 h GLU 210 Ca 0.06 -0.29 0.09 0.00 -0.13 0.00 0.00 59.36 59.09 2aq8 h GLU 210 Cb 0.76 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.99 2aq8 h GLU 210 CO 0.06 0.93 0.44 0.00 -0.73 0.00 0.00 179.01 179.71 2aq8 h ALA 211 N 0.94 1.10 -0.21 2.92 0.00 -1.79 0.34 119.26 122.56 2aq8 h ALA 211 Ca 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2aq8 h ALA 211 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2aq8 h ALA 211 CO 0.03 0.08 0.06 0.78 0.00 0.00 0.00 179.25 180.19 2aq8 h GLY 212 N 0.75 0.36 0.87 0.00 0.00 -0.54 -1.33 103.07 103.18 2aq8 h GLY 212 Ca 0.37 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.52 2aq8 h GLY 212 CO -0.24 0.21 0.60 0.00 0.00 0.00 0.00 176.54 177.11 2aq8 h ALA 213 N 0.87 1.23 -0.46 3.60 0.00 -0.29 -1.29 119.26 122.91 2aq8 h ALA 213 Ca 0.07 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2aq8 h ALA 213 Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2aq8 h ALA 213 CO -0.00 0.46 -0.14 1.96 0.00 0.00 0.00 179.25 181.53 2aq8 h GLN 214 N 1.16 0.91 -0.37 0.00 4.20 -0.67 -1.67 115.11 118.67 2aq8 h GLN 214 Ca 0.37 -0.37 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 2aq8 h GLN 214 Cb 0.01 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2aq8 h GLN 214 CO -0.12 1.02 -0.21 0.82 -0.67 0.00 0.00 178.83 179.66 2aq8 h ILE 215 N 0.76 1.27 -0.56 2.54 1.08 -1.03 0.21 117.51 121.78 2aq8 h ILE 215 Ca 0.11 -1.31 -0.03 0.00 -0.39 0.00 0.00 64.86 63.25 2aq8 h ILE 215 Cb 0.70 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 2aq8 h ILE 215 CO 0.05 0.43 0.23 -0.61 -0.69 0.00 0.00 178.15 177.56 2aq8 h GLN 216 N 0.64 0.83 -0.79 2.37 4.15 -1.11 0.90 115.11 122.10 2aq8 h GLN 216 Ca 0.09 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 2aq8 h GLN 216 Cb 0.71 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 2aq8 h GLN 216 CO 0.05 0.71 0.40 -0.07 -1.93 0.00 0.00 178.83 177.99 2aq8 h LEU 217 N 0.76 1.02 -0.07 -2.39 3.38 -0.82 -1.23 115.31 115.96 2aq8 h LEU 217 Ca 0.19 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2aq8 h LEU 217 Cb 0.19 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2aq8 h LEU 217 CO -0.02 0.86 -0.10 0.25 0.09 0.00 0.00 178.44 179.52 2aq8 h LEU 218 N 1.11 -0.30 -0.70 1.67 7.12 0.09 0.33 115.31 124.63 2aq8 h LEU 218 Ca 0.27 0.06 0.01 0.00 0.13 0.00 0.00 57.88 58.35 2aq8 h LEU 218 Cb 0.09 0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.33 2aq8 h LEU 218 CO -0.04 -0.14 0.46 -0.33 -0.13 0.00 0.00 178.44 178.27 2aq8 h GLU 219 N -0.13 0.90 -0.34 1.25 5.08 -0.61 -0.23 114.58 120.50 2aq8 h GLU 219 Ca 0.06 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2aq8 h GLU 219 Cb 0.22 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2aq8 h GLU 219 CO -0.16 0.60 -0.05 0.93 -1.00 0.00 0.00 179.01 179.33 2aq8 h GLU 220 N 0.93 0.63 -0.26 2.33 5.08 -0.92 -2.81 114.58 119.55 2aq8 h GLU 220 Ca 0.26 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2aq8 h GLU 220 Cb -0.08 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2aq8 h GLU 220 CO -0.07 0.78 -0.02 0.78 -1.00 0.00 0.00 179.01 179.48 2aq8 h GLY 221 N 0.42 0.43 0.80 -3.84 0.00 -0.64 -2.09 103.07 98.15 2aq8 h GLY 221 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2aq8 h GLY 221 CO 0.03 0.23 -0.10 -0.25 0.00 0.00 0.00 176.54 176.44 2aq8 h TRP 222 N 0.39 -0.26 -0.87 5.60 2.91 -0.81 0.42 115.95 123.33 2aq8 h TRP 222 Ca 0.09 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.12 2aq8 h TRP 222 Cb 0.29 0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.99 2aq8 h TRP 222 CO 0.01 -0.01 0.57 0.22 -1.03 0.00 0.00 178.44 178.20 2aq8 h ASP 223 N -0.49 0.97 -0.15 2.65 -0.00 -1.40 0.88 116.42 118.89 2aq8 h ASP 223 Ca -0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.03 56.97 2aq8 h ASP 223 Cb 0.37 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 39.45 2aq8 h ASP 223 CO 0.05 0.70 0.07 1.56 -0.00 0.00 0.00 179.24 181.61 2aq8 h GLN 224 N 1.14 0.21 -0.41 0.28 4.20 -1.03 -3.20 115.11 116.30 2aq8 h GLN 224 Ca 0.33 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.87 2aq8 h GLN 224 Cb -0.09 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2aq8 h GLN 224 CO -0.08 0.26 -0.28 0.00 -0.67 0.00 0.00 178.83 178.06 2aq8 h ARG 225 N 0.11 0.89 -6.04 1.46 3.08 -0.65 -3.44 114.38 109.79 2aq8 h ARG 225 Ca 0.05 -0.40 -0.64 0.00 0.07 0.00 0.00 59.98 59.06 2aq8 h ARG 225 Cb 0.12 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2aq8 h ARG 225 CO -0.01 1.05 1.38 0.00 -1.07 0.00 0.00 179.97 181.33 2aq8 n ALA 226 N -2.52 1.27 0.24 0.04 0.00 0.28 -4.59 120.51 115.24 2aq8 n ALA 226 Ca -0.01 -0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.53 2aq8 n ALA 226 Cb 0.48 -2.66 0.83 0.00 0.00 0.00 0.00 19.45 18.10 2aq8 n ALA 226 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2aq8 h PRO 227 N 12.70 0.00 -0.38 0.00 0.11 -1.76 0.11 132.00 142.78 2aq8 h PRO 227 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2aq8 h PRO 227 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2aq8 h PRO 227 CO 0.99 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 179.22 2aq8 n ILE 228 N -3.94 1.57 0.00 4.15 -5.35 -1.21 -5.08 119.36 109.51 2aq8 n ILE 228 Ca -0.00 -1.33 0.00 0.00 -0.27 0.00 0.00 62.75 61.15 2aq8 n ILE 228 Cb 0.21 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 2aq8 n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aq8 n GLY 229 N 0.30 -2.01 2.98 3.28 0.00 0.02 -4.97 105.19 104.80 2aq8 n GLY 229 Ca 0.18 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 2aq8 n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2aq8 s TRP 230 N -2.12 -0.33 -0.48 1.61 -0.11 -1.26 -4.41 118.94 111.85 2aq8 s TRP 230 Ca 0.00 0.81 -0.07 0.00 1.22 0.00 0.00 56.10 58.06 2aq8 s TRP 230 Cb 0.00 -0.06 0.12 0.00 -1.50 0.00 0.00 33.47 32.04 2aq8 s TRP 230 CO 0.00 -0.29 0.32 1.21 -4.62 0.00 0.00 176.95 173.58 2aq8 s ASN 231 N 1.94 5.54 0.29 5.86 2.47 -1.26 -4.57 114.94 125.22 2aq8 s ASN 231 Ca -0.03 -2.07 0.23 0.00 0.42 0.00 0.00 52.86 51.41 2aq8 s ASN 231 Cb -0.11 -1.94 1.07 0.00 -1.45 0.00 0.00 41.25 38.82 2aq8 s ASN 231 CO -0.08 -0.61 1.70 1.15 -3.72 0.00 0.00 177.10 175.54 2aq8 n MET 232 N 4.64 0.18 0.00 0.43 0.00 -1.26 -1.33 117.12 119.77 2aq8 n MET 232 Ca -0.04 0.52 0.14 0.00 0.00 0.00 0.00 57.70 58.32 2aq8 n MET 232 Cb 0.41 -1.92 0.46 0.00 0.00 0.00 0.00 33.22 32.17 2aq8 n MET 232 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2aq8 n LYS 233 N -2.27 1.58 -3.95 3.17 5.02 -1.26 -0.41 118.16 120.05 2aq8 n LYS 233 Ca 0.01 -0.97 -0.31 0.00 -2.02 0.00 0.00 58.31 55.02 2aq8 n LYS 233 Cb 0.15 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.53 2aq8 n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2aq8 s ASP 234 N -2.08 4.37 0.00 4.39 2.15 -0.44 -4.95 116.67 120.10 2aq8 s ASP 234 Ca 0.35 -1.74 0.29 0.00 0.43 0.00 0.00 52.55 51.88 2aq8 s ASP 234 Cb 0.21 -1.36 1.23 0.00 -0.30 0.00 0.00 42.92 42.70 2aq8 s ASP 234 CO 0.36 -0.33 1.91 0.00 -0.17 0.00 0.00 175.17 176.94 2aq8 n ALA 235 N 4.49 2.47 -0.14 3.66 0.00 -1.26 -4.30 120.51 125.42 2aq8 n ALA 235 Ca -0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 2aq8 n ALA 235 Cb 0.42 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.48 2aq8 n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2aq8 h THR 236 N 0.02 0.74 -0.57 0.00 2.02 -1.94 0.19 112.91 113.38 2aq8 h THR 236 Ca 0.00 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.15 2aq8 h THR 236 Cb 0.46 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2aq8 h THR 236 CO 0.00 0.04 0.38 -0.65 0.37 0.00 0.00 175.52 175.65 2aq8 h PRO 237 N 0.22 0.57 -0.15 6.66 0.11 -1.98 0.16 132.00 137.59 2aq8 h PRO 237 Ca 0.23 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.14 2aq8 h PRO 237 Cb 0.30 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.28 2aq8 h PRO 237 CO -0.30 0.38 -0.55 -0.39 -0.21 0.00 0.00 178.00 176.93 2aq8 h VAL 238 N 0.59 1.33 -0.52 3.15 -1.51 -1.53 -2.40 116.25 115.36 2aq8 h VAL 238 Ca 0.24 -1.81 0.06 0.00 -1.23 0.00 0.00 66.70 63.96 2aq8 h VAL 238 Cb 0.20 2.04 -0.05 0.00 -2.13 0.00 0.00 31.29 31.35 2aq8 h VAL 238 CO -0.07 0.56 0.23 0.00 -1.23 0.00 0.00 177.57 177.06 2aq8 h ALA 239 N 0.53 0.66 -0.96 5.19 0.00 -0.33 -1.13 119.26 123.22 2aq8 h ALA 239 Ca -0.03 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2aq8 h ALA 239 Cb 1.18 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 2aq8 h ALA 239 CO 0.11 -0.14 0.63 0.87 0.00 0.00 0.00 179.25 180.73 2aq8 h LYS 240 N 0.45 1.20 -0.51 0.00 1.57 -0.72 -0.82 116.57 117.74 2aq8 h LYS 240 Ca 0.24 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2aq8 h LYS 240 Cb 0.20 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2aq8 h LYS 240 CO -0.20 0.79 -0.00 1.15 -0.57 0.00 0.00 179.45 180.62 2aq8 h THR 241 N 1.23 1.26 -0.45 -0.16 2.02 -0.83 0.37 112.91 116.35 2aq8 h THR 241 Ca 0.38 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 66.48 2aq8 h THR 241 Cb -0.03 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2aq8 h THR 241 CO -0.11 0.38 0.28 0.58 0.37 0.00 0.00 175.52 177.02 2aq8 h VAL 242 N 0.77 1.07 -0.73 3.16 2.07 -0.85 -1.69 116.25 120.04 2aq8 h VAL 242 Ca 0.14 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.48 2aq8 h VAL 242 Cb 0.52 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2aq8 h VAL 242 CO 0.03 0.10 0.49 0.00 0.02 0.00 0.00 177.57 178.20 2aq8 h ALA 244 N 1.54 0.97 -0.03 0.00 0.00 0.60 -0.67 119.26 121.66 2aq8 h ALA 244 Ca 0.27 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 2aq8 h ALA 244 Cb -0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2aq8 h ALA 244 CO -0.06 0.23 -0.61 -0.07 0.00 0.00 0.00 179.25 178.75 2aq8 h LEU 245 N 0.89 0.13 -1.28 0.00 3.38 -0.74 -2.66 115.31 115.03 2aq8 h LEU 245 Ca 0.30 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2aq8 h LEU 245 Cb 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2aq8 h LEU 245 CO -0.12 0.70 0.00 -0.07 0.09 0.00 0.00 178.44 179.04 2aq8 h LEU 246 N 0.08 0.00 0.00 1.67 3.38 -0.47 -3.46 115.31 116.52 2aq8 h LEU 246 Ca -0.01 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.52 2aq8 h LEU 246 Cb 1.09 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.01 2aq8 h LEU 246 CO 0.09 0.00 0.40 -1.54 0.09 0.00 0.00 178.44 177.48 2aq8 n SER 247 N -3.01 0.20 -0.43 -0.43 3.41 -0.31 -4.78 113.62 108.27 2aq8 n SER 247 Ca 0.01 -1.54 0.07 0.00 -0.26 0.00 0.00 58.87 57.15 2aq8 n SER 247 Cb 0.32 -1.01 0.28 0.00 -0.26 0.00 0.00 64.21 63.54 2aq8 n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2aq8 n ASP 248 N -3.80 1.26 -0.23 4.04 8.00 -1.26 -4.32 116.55 120.24 2aq8 n ASP 248 Ca 0.17 -1.80 0.12 0.00 0.71 0.00 0.00 54.79 53.98 2aq8 n ASP 248 Cb 0.59 -0.12 0.15 0.00 -0.02 0.00 0.00 41.12 41.72 2aq8 n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2aq8 n TRP 249 N 0.11 0.00 -3.05 1.24 7.02 -1.26 -3.97 117.44 117.53 2aq8 n TRP 249 Ca 0.12 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.34 2aq8 n TRP 249 Cb 0.23 -0.09 -0.05 0.00 -2.42 0.00 0.00 31.31 28.99 2aq8 n TRP 249 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2aq8 n LEU 250 N -0.79 3.90 -0.00 -0.99 4.77 -1.26 -4.94 117.00 117.69 2aq8 n LEU 250 Ca 0.09 -5.56 0.14 0.00 -0.03 0.00 0.00 56.01 50.65 2aq8 n LEU 250 Cb 0.38 -0.42 0.58 0.00 -2.33 0.00 0.00 43.42 41.63 2aq8 n LEU 250 CO 0.31 2.29 0.91 -0.81 -1.33 0.00 0.00 177.39 178.76 2aq8 n PRO 251 N 0.03 0.02 -0.22 3.23 -0.04 -1.25 -3.19 135.00 133.57 2aq8 n PRO 251 Ca 0.30 -0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.82 2aq8 n PRO 251 Cb 0.42 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.55 2aq8 n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aq8 n ALA 252 N -1.49 2.44 -3.54 0.55 0.00 -1.26 -4.96 120.51 112.26 2aq8 n ALA 252 Ca 0.07 -1.78 -0.35 0.00 0.00 0.00 0.00 53.44 51.39 2aq8 n ALA 252 Cb 0.34 -0.45 -0.14 0.00 0.00 0.00 0.00 19.45 19.20 2aq8 n ALA 252 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2aq8 s THR 253 N -1.95 3.28 0.10 0.00 2.01 -1.19 -5.09 115.64 112.79 2aq8 s THR 253 Ca 0.27 -0.59 -0.21 0.00 0.31 0.00 0.00 61.69 61.46 2aq8 s THR 253 Cb 0.20 -2.52 0.05 0.00 0.01 0.00 0.00 72.50 70.24 2aq8 s THR 253 CO 0.08 0.38 0.52 0.28 -0.69 0.00 0.00 174.62 175.20 2aq8 s THR 254 N 1.45 0.03 -2.01 -0.82 -1.32 -1.26 -4.64 115.64 107.07 2aq8 s THR 254 Ca 0.05 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 2aq8 s THR 254 Cb -0.15 -1.03 0.00 0.00 -1.51 0.00 0.00 72.50 69.81 2aq8 s THR 254 CO -0.04 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 2aq8 n GLY 255 N 0.03 1.68 3.74 6.08 0.00 0.17 -4.95 105.19 111.95 2aq8 n GLY 255 Ca -0.17 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 2aq8 n GLY 255 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aq8 s ASP 256 N -2.74 4.27 -0.12 1.61 -1.08 -1.22 -4.45 116.67 112.94 2aq8 s ASP 256 Ca 0.00 -1.29 0.02 0.00 -0.52 0.00 0.00 52.55 50.76 2aq8 s ASP 256 Cb 0.00 -0.12 0.01 0.00 -1.46 0.00 0.00 42.92 41.35 2aq8 s ASP 256 CO 0.00 -0.67 -0.16 -0.63 0.52 0.00 0.00 175.17 174.23 2aq8 s ILE 257 N -2.71 1.59 -0.20 4.11 1.01 -1.26 -0.55 121.20 123.20 2aq8 s ILE 257 Ca 0.31 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 2aq8 s ILE 257 Cb 0.04 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 2aq8 s ILE 257 CO 0.17 0.46 0.07 -0.63 0.00 0.00 0.00 174.94 175.01 2aq8 s ILE 258 N 1.01 4.68 -0.42 2.92 -1.09 0.85 -4.93 121.20 124.21 2aq8 s ILE 258 Ca -0.06 -0.07 -0.20 0.00 -2.23 0.00 0.00 60.65 58.09 2aq8 s ILE 258 Cb -0.15 -3.13 0.02 0.00 -1.58 0.00 0.00 42.46 37.62 2aq8 s ILE 258 CO -0.03 0.42 0.62 -0.31 -1.23 0.00 0.00 174.94 174.42 2aq8 s TYR 259 N 0.72 3.09 -0.88 3.97 1.51 -1.26 -0.15 117.35 124.36 2aq8 s TYR 259 Ca 0.03 0.02 -0.00 0.00 -1.01 0.00 0.00 57.07 56.11 2aq8 s TYR 259 Cb -0.13 -3.26 0.25 0.00 -0.11 0.00 0.00 41.96 38.71 2aq8 s TYR 259 CO 0.02 -0.80 0.97 0.00 -1.11 0.00 0.00 175.55 174.64 2aq8 n ALA 260 N 6.16 4.27 -1.85 3.71 0.00 0.53 -4.73 120.51 128.60 2aq8 n ALA 260 Ca -0.02 -4.71 0.01 0.00 0.00 0.00 0.00 53.44 48.71 2aq8 n ALA 260 Cb 0.48 -1.65 0.01 0.00 0.00 0.00 0.00 19.45 18.29 2aq8 n ALA 260 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2aq8 n ASP 261 N 1.60 0.13 0.00 0.00 5.75 -1.26 -1.55 116.55 121.22 2aq8 n ASP 261 Ca 0.25 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 2aq8 n ASP 261 Cb 0.37 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 2aq8 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aq8 n GLY 262 N -0.08 0.45 2.51 6.12 0.00 -1.26 -2.27 105.19 110.66 2aq8 n GLY 262 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2aq8 n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aq8 n GLY 263 N -2.50 0.56 0.39 -0.02 0.00 -1.26 -2.62 105.19 99.74 2aq8 n GLY 263 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 2aq8 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aq8 h ALA 264 N 0.00 2.11 0.00 4.61 0.00 -1.70 -1.05 119.26 123.22 2aq8 h ALA 264 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2aq8 h ALA 264 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2aq8 h ALA 264 CO 0.00 -0.44 0.00 -2.39 0.00 0.00 0.00 179.25 176.42 2aq8 n HIS 265 N -4.59 0.03 0.97 0.00 1.44 -1.26 -2.29 115.22 109.53 2aq8 n HIS 265 Ca 0.22 0.01 0.12 0.00 -2.01 0.00 0.00 57.72 56.06 2aq8 n HIS 265 Cb 0.72 -0.52 0.30 0.00 0.12 0.00 0.00 29.99 30.62 2aq8 n HIS 265 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2aq8 n THR 266 N -1.53 0.22 -4.61 0.61 -2.24 -0.40 -4.90 114.28 101.43 2aq8 n THR 266 Ca 0.05 -0.47 -0.22 0.00 -2.27 0.00 0.00 64.05 61.13 2aq8 n THR 266 Cb 0.23 0.78 -0.15 0.00 -2.10 0.00 0.00 70.33 69.08 2aq8 n THR 266 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2aq8 s GLN 267 N -1.78 1.10 -0.18 -0.78 -1.52 -0.97 -5.04 119.66 110.48 2aq8 s GLN 267 Ca 0.34 -0.48 -0.19 0.00 -1.95 0.00 0.00 55.36 53.08 2aq8 s GLN 267 Cb 0.20 -1.06 -0.22 0.00 -0.22 0.00 0.00 33.01 31.72 2aq8 s GLN 267 CO 0.30 0.29 0.31 1.25 -0.25 0.00 0.00 175.29 177.19 2aq8 h LEU 268 N 5.82 0.11 -0.05 2.90 5.85 -1.91 -3.49 115.31 124.55 2aq8 h LEU 268 Ca -0.34 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 57.74 2aq8 h LEU 268 Cb 1.16 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2aq8 h LEU 268 CO 0.49 1.53 0.00 -0.11 -0.34 0.00 0.00 178.44 180.01