#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yia n ARG 22 N 0.00 0.00 -2.08 0.00 1.85 -1.25 -4.76 116.66 110.41 1yia n ARG 22 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.54 1yia n ARG 22 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1yia n ARG 22 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1yia s PRO 23 N 0.00 3.68 -0.15 2.89 0.05 -1.26 -4.69 135.00 135.51 1yia s PRO 23 Ca 0.00 0.74 -0.19 0.00 0.05 0.00 0.00 61.00 61.60 1yia s PRO 23 Cb 0.00 -2.13 -0.04 0.00 0.05 0.00 0.00 34.50 32.39 1yia s PRO 23 CO 0.00 -0.46 0.54 1.03 0.05 0.00 0.00 177.00 178.17 1yia s ARG 24 N -4.85 4.28 -0.10 4.56 0.52 -1.26 -1.62 118.95 120.48 1yia s ARG 24 Ca 0.55 0.52 0.03 0.00 -0.52 0.00 0.00 55.73 56.31 1yia s ARG 24 Cb -0.11 -3.50 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 1yia s ARG 24 CO 0.47 -0.02 -0.20 0.08 0.02 0.00 0.00 175.30 175.65 1yia s VAL 25 N 1.19 2.46 -0.18 3.52 1.01 0.28 -0.59 120.40 128.09 1yia s VAL 25 Ca 0.27 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1yia s VAL 25 Cb -0.16 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1yia s VAL 25 CO 0.11 0.55 -0.09 -0.22 0.00 0.00 0.00 175.10 175.45 1yia s LEU 26 N 0.13 2.74 0.16 3.92 2.96 -1.03 -0.12 118.68 127.45 1yia s LEU 26 Ca -0.10 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1yia s LEU 26 Cb -0.16 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1yia s LEU 26 CO 0.06 0.06 0.02 0.42 -1.32 0.00 0.00 176.35 175.59 1yia s THR 27 N 1.01 0.50 -0.08 3.68 -4.23 -0.51 -4.41 115.64 111.61 1yia s THR 27 Ca -0.01 -1.96 -0.31 0.00 -1.18 0.00 0.00 61.69 58.24 1yia s THR 27 Cb -0.15 -2.11 0.12 0.00 1.34 0.00 0.00 72.50 71.70 1yia s THR 27 CO -0.01 -0.46 1.37 -0.83 -0.54 0.00 0.00 174.62 174.15 1yia s GLY 28 N -3.14 -0.31 0.02 3.99 0.00 -1.26 -0.60 107.32 106.02 1yia s GLY 28 Ca 0.24 0.43 -0.08 0.00 0.00 0.00 0.00 44.72 45.31 1yia s GLY 28 CO 0.03 4.08 0.16 0.99 0.00 0.00 0.00 173.10 178.36 1yia s ASP 29 N -3.56 0.05 -0.50 1.64 1.11 -0.99 -4.96 116.67 109.45 1yia s ASP 29 Ca 0.25 -0.31 -0.26 0.00 0.18 0.00 0.00 52.55 52.41 1yia s ASP 29 Cb 0.03 0.24 0.03 0.00 1.07 0.00 0.00 42.92 44.29 1yia s ASP 29 CO -0.04 -0.47 1.00 -0.13 1.18 0.00 0.00 175.17 176.71 1yia s ARG 30 N -2.03 3.51 -0.73 8.23 0.52 -1.26 -0.90 118.95 126.29 1yia s ARG 30 Ca -0.09 0.13 -0.26 0.00 -0.52 0.00 0.00 55.73 54.99 1yia s ARG 30 Cb -0.04 -3.97 -0.12 0.00 0.52 0.00 0.00 34.95 31.34 1yia s ARG 30 CO -0.01 -1.37 2.40 -2.14 0.02 0.00 0.00 175.30 174.20 1yia s PRO 31 N 4.07 1.72 0.00 3.54 0.02 -1.26 -4.55 135.00 138.54 1yia s PRO 31 Ca 0.38 0.67 0.00 0.00 0.02 0.00 0.00 61.00 62.07 1yia s PRO 31 Cb -0.10 -4.75 0.00 0.00 0.02 0.00 0.00 34.50 29.68 1yia s PRO 31 CO 0.25 -4.18 0.40 0.25 -0.33 0.00 0.00 177.00 173.40 1yia n THR 32 N 8.60 0.12 0.00 0.99 -2.24 -1.26 -4.46 114.28 116.03 1yia n THR 32 Ca 0.44 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1yia n THR 32 Cb 0.46 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 1yia n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yia n GLY 33 N -0.06 0.71 3.61 3.38 0.00 -1.26 -4.95 105.19 106.61 1yia n GLY 33 Ca 0.00 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 1yia n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yia n ALA 34 N -1.10 0.15 -1.81 4.61 0.00 -1.26 -4.79 120.51 116.31 1yia n ALA 34 Ca 0.00 0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 1yia n ALA 34 Cb 0.00 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.34 1yia n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yia s LEU 35 N -1.40 3.55 0.00 0.00 1.43 -1.26 -4.93 118.68 116.07 1yia s LEU 35 Ca 0.71 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1yia s LEU 35 Cb -0.46 -4.51 -0.00 0.00 0.03 0.00 0.00 46.19 41.25 1yia s LEU 35 CO 0.51 -0.73 0.01 0.00 0.23 0.00 0.00 176.35 176.37 1yia n HIS 36 N -1.80 0.07 -0.13 0.29 1.44 -1.26 -1.22 115.22 112.62 1yia n HIS 36 Ca 0.07 -0.31 0.14 0.00 -2.01 0.00 0.00 57.72 55.60 1yia n HIS 36 Cb 0.54 -0.02 0.50 0.00 0.12 0.00 0.00 29.99 31.13 1yia n HIS 36 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1yia h LEU 37 N 0.00 0.39 -0.82 2.39 4.07 -1.73 -1.78 115.31 117.83 1yia h LEU 37 Ca -0.04 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1yia h LEU 37 Cb 0.15 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 1yia h LEU 37 CO 0.07 0.22 0.48 1.23 -1.08 0.00 0.00 178.44 179.36 1yia h GLY 38 N 0.42 1.20 1.40 0.83 0.00 -1.92 -1.00 103.07 104.00 1yia h GLY 38 Ca 0.33 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1yia h GLY 38 CO -0.10 0.49 -0.05 0.45 0.00 0.00 0.00 176.54 177.34 1yia h HIS 39 N 1.13 0.77 0.00 5.60 3.86 -1.72 1.03 115.15 125.82 1yia h HIS 39 Ca 0.29 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1yia h HIS 39 Cb -0.03 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.23 1yia h HIS 39 CO -0.00 0.75 0.00 -0.11 0.86 0.00 0.00 177.93 179.43 1yia n LEU 40 N -4.20 0.00 0.18 2.43 -0.00 -0.45 0.47 117.00 115.42 1yia n LEU 40 Ca 0.02 0.99 0.14 0.00 -0.00 0.00 0.00 56.01 57.16 1yia n LEU 40 Cb 0.32 -0.49 0.56 0.00 -0.00 0.00 0.00 43.42 43.80 1yia n LEU 40 CO 0.41 -0.49 0.90 0.00 -0.00 0.00 0.00 177.39 178.21 1yia h ALA 41 N -1.80 1.00 -0.07 1.96 0.00 -1.39 -2.43 119.26 116.53 1yia h ALA 41 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1yia h ALA 41 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1yia h ALA 41 CO 0.00 0.00 -0.70 0.78 0.00 0.00 0.00 179.25 179.33 1yia h GLY 42 N 2.23 0.37 0.00 0.00 0.00 0.17 -3.46 103.07 102.38 1yia h GLY 42 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1yia h GLY 42 CO 0.00 0.46 0.00 -1.14 0.00 0.00 0.00 176.54 175.86 1yia n SER 43 N -3.83 0.00 -0.24 0.19 3.41 0.18 -4.95 113.62 108.38 1yia n SER 43 Ca -0.04 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.58 1yia n SER 43 Cb 0.69 0.15 0.05 0.00 -0.26 0.00 0.00 64.21 64.84 1yia n SER 43 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1yia n LEU 44 N -1.74 -0.34 0.19 1.04 4.77 0.25 0.38 117.00 121.56 1yia n LEU 44 Ca 0.00 1.10 0.06 0.00 -0.03 0.00 0.00 56.01 57.14 1yia n LEU 44 Cb 0.00 -0.28 0.38 0.00 -2.33 0.00 0.00 43.42 41.19 1yia n LEU 44 CO 0.00 -1.01 0.71 0.06 -1.33 0.00 0.00 177.39 175.82 1yia h GLN 45 N 0.00 0.00 -0.22 3.23 3.07 -1.72 -1.37 115.11 118.11 1yia h GLN 45 Ca 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.95 1yia h GLN 45 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 1yia h GLN 45 CO -0.64 0.36 -0.03 -0.97 0.09 0.00 0.00 178.83 177.64 1yia h ASN 46 N 0.00 0.41 0.45 0.06 -0.00 0.68 -2.65 115.58 114.53 1yia h ASN 46 Ca -0.00 -0.34 -0.12 0.00 -0.00 0.00 0.00 56.30 55.83 1yia h ASN 46 Cb 0.79 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.99 1yia h ASN 46 CO 0.05 0.65 -0.55 0.03 -0.00 0.00 0.00 177.43 177.61 1yia h ARG 47 N 0.15 0.11 -0.83 6.67 -0.00 -1.02 -1.13 114.38 118.33 1yia h ARG 47 Ca 0.06 -0.07 0.18 0.00 -0.50 0.00 0.00 59.98 59.65 1yia h ARG 47 Cb 0.46 0.01 -0.11 0.00 0.00 0.00 0.00 29.97 30.33 1yia h ARG 47 CO 0.02 0.63 0.34 0.28 0.00 0.00 0.00 179.97 181.24 1yia h VAL 48 N 0.08 0.57 0.00 2.04 2.07 -0.90 0.84 116.25 120.95 1yia h VAL 48 Ca -0.00 -0.15 -0.24 0.00 0.82 0.00 0.00 66.70 67.14 1yia h VAL 48 Cb 1.00 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1yia h VAL 48 CO 0.08 0.08 -1.28 0.03 0.02 0.00 0.00 177.57 176.49 1yia h ARG 49 N 0.42 0.00 -0.05 1.57 3.08 -1.26 -3.10 114.38 115.04 1yia h ARG 49 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 1yia h ARG 49 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1yia h ARG 49 CO -0.47 0.75 0.00 1.47 -1.07 0.00 0.00 179.97 180.65 1yia n LEU 50 N -3.20 0.77 0.27 3.04 -0.00 -0.12 -3.48 117.00 114.27 1yia n LEU 50 Ca -0.07 -0.30 0.16 0.00 -0.00 0.00 0.00 56.01 55.80 1yia n LEU 50 Cb 0.97 -0.03 0.65 0.00 -0.00 0.00 0.00 43.42 45.01 1yia n LEU 50 CO 0.46 0.15 0.96 -0.61 -0.00 0.00 0.00 177.39 178.35 1yia h GLN 51 N 1.09 0.00 -0.00 1.47 4.15 0.69 -2.51 115.11 119.99 1yia h GLN 51 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1yia h GLN 51 Cb 0.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1yia h GLN 51 CO 0.00 0.05 -0.05 -0.40 -1.93 0.00 0.00 178.83 176.50 1yia n ASP 52 N -3.17 0.87 -1.02 -0.69 5.68 -1.23 -4.42 116.55 112.57 1yia n ASP 52 Ca 0.00 -0.94 0.12 0.00 -0.50 0.00 0.00 54.79 53.48 1yia n ASP 52 Cb 0.32 0.35 0.15 0.00 -1.14 0.00 0.00 41.12 40.80 1yia n ASP 52 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1yia n GLU 53 N -0.25 2.38 -3.96 0.11 4.07 -1.12 -3.38 120.64 118.49 1yia n GLU 53 Ca 0.01 -2.04 -0.00 0.00 -0.06 0.00 0.00 57.16 55.08 1yia n GLU 53 Cb 0.07 -1.48 0.02 0.00 -0.06 0.00 0.00 31.44 29.98 1yia n GLU 53 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1yia s ALA 54 N -1.82 -2.06 -0.50 4.31 0.00 -0.96 -3.93 121.76 116.80 1yia s ALA 54 Ca 0.32 -0.18 -0.21 0.00 0.00 0.00 0.00 51.96 51.89 1yia s ALA 54 Cb 0.21 0.86 0.04 0.00 0.00 0.00 0.00 23.12 24.23 1yia s ALA 54 CO 0.31 -1.11 0.72 -2.00 0.00 0.00 0.00 175.76 173.68 1yia s GLU 55 N -2.04 3.23 -0.22 0.00 2.56 -0.64 -4.64 118.70 116.96 1yia s GLU 55 Ca 0.27 -0.55 -0.11 0.00 0.00 0.00 0.00 54.97 54.58 1yia s GLU 55 Cb -0.02 -4.04 -0.05 0.00 2.00 0.00 0.00 34.13 32.02 1yia s GLU 55 CO 0.02 -1.23 0.17 -1.17 -0.56 0.00 0.00 175.26 172.49 1yia s LEU 56 N 3.07 4.16 -0.12 2.70 2.96 -1.26 -0.56 118.68 129.64 1yia s LEU 56 Ca 0.22 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 1yia s LEU 56 Cb -0.16 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 1yia s LEU 56 CO 0.16 0.10 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.78 1yia s PHE 57 N 0.75 2.74 -0.21 5.38 0.08 0.83 -1.46 117.98 126.09 1yia s PHE 57 Ca 0.09 -0.70 0.01 0.00 0.12 0.00 0.00 56.93 56.45 1yia s PHE 57 Cb -0.13 -1.80 0.03 0.00 -0.57 0.00 0.00 43.02 40.56 1yia s PHE 57 CO 0.02 -0.23 -0.15 0.14 -0.10 0.00 0.00 175.22 174.89 1yia s VAL 58 N 0.28 2.22 -0.21 -0.44 -7.23 0.25 -1.42 120.40 113.85 1yia s VAL 58 Ca -0.11 -1.16 -0.14 0.00 -1.81 0.00 0.00 61.98 58.75 1yia s VAL 58 Cb -0.16 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1yia s VAL 58 CO 0.06 0.32 0.31 -0.22 -0.31 0.00 0.00 175.10 175.26 1yia s LEU 59 N 1.24 4.16 -0.78 1.32 2.96 0.23 0.11 118.68 127.91 1yia s LEU 59 Ca 0.00 0.40 -0.21 0.00 -0.22 0.00 0.00 54.13 54.10 1yia s LEU 59 Cb -0.16 -2.37 0.09 0.00 0.50 0.00 0.00 46.19 44.25 1yia s LEU 59 CO -0.09 -0.01 1.05 -0.76 -1.32 0.00 0.00 176.35 175.22 1yia s LEU 60 N 1.10 4.61 0.00 -0.68 1.43 0.72 -2.35 118.68 123.51 1yia s LEU 60 Ca 0.15 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 1yia s LEU 60 Cb -0.14 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1yia s LEU 60 CO 0.06 -1.30 0.77 0.00 0.23 0.00 0.00 176.35 176.12 1yia n ALA 61 N 7.31 0.85 -0.09 4.21 0.00 -0.08 -2.51 120.51 130.19 1yia n ALA 61 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 1yia n ALA 61 Cb 0.47 -2.08 -0.07 0.00 0.00 0.00 0.00 19.45 17.77 1yia n ALA 61 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1yia h ASP 62 N 7.20 -1.58 -0.41 0.00 -0.00 -1.90 0.14 116.42 119.87 1yia h ASP 62 Ca 0.00 0.22 -0.12 0.00 -0.00 0.00 0.00 57.03 57.13 1yia h ASP 62 Cb 0.00 0.66 -0.01 0.00 -0.00 0.00 0.00 39.33 39.97 1yia h ASP 62 CO 0.77 -0.41 -0.20 0.58 -0.00 0.00 0.00 179.24 179.99 1yia h VAL 63 N -0.42 1.28 0.00 2.25 2.07 -1.90 -2.72 116.25 116.80 1yia h VAL 63 Ca 0.09 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 1yia h VAL 63 Cb 0.61 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1yia h VAL 63 CO -0.53 0.45 -0.14 -0.61 0.02 0.00 0.00 177.57 176.77 1yia h GLN 64 N 0.67 0.00 0.00 1.57 4.15 -1.87 -0.47 115.11 119.16 1yia h GLN 64 Ca 0.09 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 1yia h GLN 64 Cb 0.76 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 1yia h GLN 64 CO 0.06 0.14 -0.17 0.00 -1.93 0.00 0.00 178.83 176.92 1yia h ALA 65 N 1.86 1.31 0.00 3.38 0.00 -0.41 -2.95 119.26 122.45 1yia h ALA 65 Ca -0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 1yia h ALA 65 Cb 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1yia h ALA 65 CO 0.02 0.22 -0.80 -0.07 0.00 0.00 0.00 179.25 178.61 1yia h LEU 66 N 0.00 0.00 0.00 0.00 -0.00 -1.07 -0.25 115.31 113.98 1yia h LEU 66 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1yia h LEU 66 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1yia h LEU 66 CO 0.02 0.80 0.00 0.35 -0.00 0.00 0.00 178.44 179.61 1yia n THR 67 N -3.47 0.28 0.00 0.22 -2.24 -1.11 0.12 114.28 108.08 1yia n THR 67 Ca -0.00 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1yia n THR 67 Cb 0.80 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1yia n THR 67 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1yia n ASP 68 N -1.07 2.38 -1.43 3.42 2.03 -1.14 -4.24 116.55 116.50 1yia n ASP 68 Ca 0.01 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.27 1yia n ASP 68 Cb 0.01 0.34 0.10 0.00 -0.72 0.00 0.00 41.12 40.85 1yia n ASP 68 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1yia n HIS 69 N -0.99 1.06 0.21 -0.67 8.25 -0.12 -4.79 115.22 118.17 1yia n HIS 69 Ca 0.00 -1.68 0.11 0.00 -0.26 0.00 0.00 57.72 55.89 1yia n HIS 69 Cb 0.13 -0.26 0.54 0.00 1.12 0.00 0.00 29.99 31.51 1yia n HIS 69 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1yia n PHE 70 N -0.71 0.71 0.85 4.41 1.16 0.32 -0.99 117.46 123.21 1yia n PHE 70 Ca 0.24 0.35 0.09 0.00 -1.87 0.00 0.00 57.45 56.27 1yia n PHE 70 Cb 0.86 -1.05 0.01 0.00 -1.61 0.00 0.00 39.48 37.68 1yia n PHE 70 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1yia n ASP 71 N -2.21 1.92 -2.86 5.98 5.75 -1.26 -4.51 116.55 119.37 1yia n ASP 71 Ca -0.01 -1.46 -0.19 0.00 -0.01 0.00 0.00 54.79 53.12 1yia n ASP 71 Cb 0.08 0.42 -0.01 0.00 -1.03 0.00 0.00 41.12 40.58 1yia n ASP 71 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1yia n ARG 72 N 0.06 1.98 0.07 0.11 1.74 -0.16 -4.92 116.66 115.55 1yia n ARG 72 Ca 0.08 -3.89 0.18 0.00 -0.77 0.00 0.00 57.85 53.45 1yia n ARG 72 Cb 0.41 -1.80 0.70 0.00 -1.02 0.00 0.00 32.46 30.75 1yia n ARG 72 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1yia h PRO 73 N 2.92 0.00 -0.48 5.56 0.13 -1.77 -1.86 132.00 136.50 1yia h PRO 73 Ca 0.09 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 1yia h PRO 73 Cb 0.91 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 1yia h PRO 73 CO 0.64 0.00 0.10 0.93 -0.23 0.00 0.00 178.00 179.44 1yia h GLU 74 N 0.00 0.77 -0.33 0.86 4.39 -1.91 -2.11 114.58 116.25 1yia h GLU 74 Ca 0.18 -0.20 0.07 0.00 0.34 0.00 0.00 59.36 59.76 1yia h GLU 74 Cb 0.77 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.24 1yia h GLU 74 CO -0.00 0.77 -0.18 0.37 -1.16 0.00 0.00 179.01 178.80 1yia h GLN 75 N 0.65 -0.13 0.68 2.33 4.15 -1.72 -2.06 115.11 119.01 1yia h GLN 75 Ca 0.15 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 1yia h GLN 75 Cb 0.35 0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.08 1yia h GLN 75 CO 0.00 -0.09 -0.33 0.28 -1.93 0.00 0.00 178.83 176.77 1yia h VAL 76 N -0.14 0.31 -0.72 2.39 2.07 -1.54 -2.83 116.25 115.80 1yia h VAL 76 Ca 0.17 -0.06 0.11 0.00 0.82 0.00 0.00 66.70 67.74 1yia h VAL 76 Cb 0.40 0.34 -0.12 0.00 -1.52 0.00 0.00 31.29 30.38 1yia h VAL 76 CO -0.42 0.01 -0.41 -0.09 0.02 0.00 0.00 177.57 176.68 1yia h ARG 77 N -0.96 -0.13 -0.82 1.57 2.43 -1.22 -0.18 114.38 115.08 1yia h ARG 77 Ca -0.09 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.20 1yia h ARG 77 Cb 0.71 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 1yia h ARG 77 CO 0.15 -0.09 0.53 0.93 -1.51 0.00 0.00 179.97 179.99 1yia h GLU 78 N -0.14 0.68 -0.00 0.20 5.08 -1.35 -2.67 114.58 116.38 1yia h GLU 78 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1yia h GLU 78 Cb 0.56 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1yia h GLU 78 CO -0.78 0.45 -0.17 0.09 -1.00 0.00 0.00 179.01 177.60 1yia n ASN 79 N -4.52 0.33 -0.06 1.42 3.02 -0.11 -3.52 115.26 111.83 1yia n ASN 79 Ca 0.14 -0.17 -0.11 0.00 -0.03 0.00 0.00 54.58 54.41 1yia n ASN 79 Cb 0.38 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.38 1yia n ASN 79 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1yia h VAL 80 N 0.26 1.21 -0.19 2.41 2.07 -1.13 0.77 116.25 121.65 1yia h VAL 80 Ca 0.00 -0.68 -0.14 0.00 0.82 0.00 0.00 66.70 66.69 1yia h VAL 80 Cb 0.43 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1yia h VAL 80 CO 0.00 0.21 -0.49 0.25 0.02 0.00 0.00 177.57 177.56 1yia h LEU 81 N 0.11 0.55 -0.67 2.57 5.85 -1.74 -2.18 115.31 119.80 1yia h LEU 81 Ca 0.06 -0.27 -0.14 0.00 0.84 0.00 0.00 57.88 58.36 1yia h LEU 81 Cb 0.28 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1yia h LEU 81 CO 0.00 0.95 -0.57 0.00 -0.34 0.00 0.00 178.44 178.49 1yia h ALA 82 N 1.07 0.86 0.13 1.25 0.00 -1.56 -1.48 119.26 119.53 1yia h ALA 82 Ca 0.02 -0.52 -0.30 0.00 0.00 0.00 0.00 54.91 54.11 1yia h ALA 82 Cb 1.00 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.74 1yia h ALA 82 CO 0.09 0.70 -1.26 0.28 0.00 0.00 0.00 179.25 179.06 1yia h VAL 83 N 0.22 1.30 -0.66 0.00 2.07 -0.85 -2.03 116.25 116.30 1yia h VAL 83 Ca 0.00 -2.53 0.02 0.00 0.82 0.00 0.00 66.70 65.01 1yia h VAL 83 Cb 1.06 2.74 -0.04 0.00 -1.52 0.00 0.00 31.29 33.53 1yia h VAL 83 CO 0.09 0.77 0.42 0.00 0.02 0.00 0.00 177.57 178.87 1yia h ALA 84 N 0.32 0.86 -0.13 1.67 0.00 -1.34 0.51 119.26 121.15 1yia h ALA 84 Ca -0.19 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1yia h ALA 84 Cb 1.94 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1yia h ALA 84 CO 0.24 0.20 0.04 1.25 0.00 0.00 0.00 179.25 180.97 1yia h LEU 85 N 0.83 0.04 -0.58 0.00 6.46 -1.30 -0.41 115.31 120.35 1yia h LEU 85 Ca 0.26 0.02 0.11 0.00 -0.12 0.00 0.00 57.88 58.15 1yia h LEU 85 Cb -0.01 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 39.84 1yia h LEU 85 CO -0.09 0.04 0.05 0.44 -0.62 0.00 0.00 178.44 178.26 1yia h ASP 86 N 0.10 -0.16 0.28 1.25 3.45 -0.16 -0.86 116.42 120.33 1yia h ASP 86 Ca 0.06 0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.64 1yia h ASP 86 Cb 0.04 0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.99 1yia h ASP 86 CO -0.07 -0.06 -0.43 1.88 -1.57 0.00 0.00 179.24 178.99 1yia h TYR 87 N 0.17 -1.22 -0.70 4.55 0.99 0.83 -0.82 116.97 120.77 1yia h TYR 87 Ca 0.30 0.02 0.14 0.00 2.00 0.00 0.00 58.73 61.19 1yia h TYR 87 Cb 0.46 0.50 -0.10 0.00 1.00 0.00 0.00 36.73 38.59 1yia h TYR 87 CO -0.31 -0.53 0.17 -0.07 -0.00 0.00 0.00 178.16 177.42 1yia h LEU 88 N -0.75 0.03 -1.72 3.88 3.38 -0.44 -0.82 115.31 118.87 1yia h LEU 88 Ca -0.03 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1yia h LEU 88 Cb 0.69 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1yia h LEU 88 CO -0.14 -0.01 -0.18 0.00 0.09 0.00 0.00 178.44 178.20 1yia h ALA 89 N 1.57 1.46 -0.00 1.53 0.00 -0.85 -0.84 119.26 122.12 1yia h ALA 89 Ca 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1yia h ALA 89 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1yia h ALA 89 CO -0.47 0.22 -0.01 0.00 0.00 0.00 0.00 179.25 178.99 1yia n ALA 90 N -2.39 2.52 0.00 0.00 0.00 -0.33 -4.26 120.51 116.04 1yia n ALA 90 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1yia n ALA 90 Cb 0.26 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1yia n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yia n GLY 91 N 1.27 0.93 3.71 0.00 0.00 -0.32 -4.84 105.19 105.93 1yia n GLY 91 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1yia n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yia s LEU 92 N 0.00 4.37 -0.25 0.99 1.02 -1.10 -4.93 118.68 118.78 1yia s LEU 92 Ca 0.00 1.66 -0.16 0.00 0.02 0.00 0.00 54.13 55.65 1yia s LEU 92 Cb 0.00 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.61 1yia s LEU 92 CO 0.00 -0.26 0.41 -0.62 0.02 0.00 0.00 176.35 175.90 1yia s ASP 93 N 1.01 6.35 0.57 2.29 3.68 -1.26 -4.37 116.67 124.94 1yia s ASP 93 Ca 0.52 0.41 0.31 0.00 2.13 0.00 0.00 52.55 55.92 1yia s ASP 93 Cb -0.21 -2.23 1.44 0.00 -1.45 0.00 0.00 42.92 40.47 1yia s ASP 93 CO 0.28 -0.17 1.81 -0.65 0.13 0.00 0.00 175.17 176.57 1yia h PRO 94 N 7.87 0.00 0.00 4.34 0.11 -1.95 0.43 132.00 142.80 1yia h PRO 94 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1yia h PRO 94 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1yia h PRO 94 CO 0.68 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.51 1yia n GLN 95 N -3.89 0.22 0.00 1.05 3.00 -1.26 -4.22 117.38 112.28 1yia n GLN 95 Ca 0.16 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1yia n GLN 95 Cb 0.95 -1.76 0.00 0.00 0.00 0.00 0.00 30.24 29.44 1yia n GLN 95 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1yia n LYS 96 N -2.15 2.43 -4.46 -1.09 5.02 0.15 -5.05 118.16 113.01 1yia n LYS 96 Ca 0.06 -0.19 -0.24 0.00 -2.02 0.00 0.00 58.31 55.92 1yia n LYS 96 Cb 0.41 -0.64 -0.17 0.00 -0.02 0.00 0.00 35.03 34.62 1yia n LYS 96 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1yia s THR 97 N -0.40 1.01 -0.49 -0.18 -1.32 -0.85 -4.16 115.64 109.24 1yia s THR 97 Ca 0.00 -0.39 -0.20 0.00 -1.21 0.00 0.00 61.69 59.88 1yia s THR 97 Cb 0.00 -0.94 0.04 0.00 -1.51 0.00 0.00 72.50 70.09 1yia s THR 97 CO 0.00 0.33 0.68 -0.89 -2.21 0.00 0.00 174.62 172.53 1yia s THR 98 N 0.78 4.78 -0.12 5.08 2.01 -0.54 -4.75 115.64 122.87 1yia s THR 98 Ca -0.13 -0.18 -0.25 0.00 0.31 0.00 0.00 61.69 61.44 1yia s THR 98 Cb -0.15 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.02 1yia s THR 98 CO 0.02 -0.79 0.79 0.00 -0.69 0.00 0.00 174.62 173.95 1yia s VAL 100 N 1.62 1.35 -0.38 0.00 1.01 0.12 -1.29 120.40 122.84 1yia s VAL 100 Ca 0.39 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.59 1yia s VAL 100 Cb -0.17 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1yia s VAL 100 CO 0.15 0.41 0.77 0.54 0.00 0.00 0.00 175.10 176.97 1yia s VAL 101 N 1.09 4.74 0.22 2.92 0.11 -1.26 -0.20 120.40 128.01 1yia s VAL 101 Ca -0.05 0.77 -0.13 0.00 -2.93 0.00 0.00 61.98 59.64 1yia s VAL 101 Cb -0.14 -4.21 0.26 0.00 -1.53 0.00 0.00 36.38 30.75 1yia s VAL 101 CO -0.02 -0.47 1.62 -0.61 -3.33 0.00 0.00 175.10 172.29 1yia h GLN 102 N 8.56 -0.00 -0.01 1.54 4.15 -1.87 -0.93 115.11 126.55 1yia h GLN 102 Ca -0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1yia h GLN 102 Cb 1.09 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 1yia h GLN 102 CO 0.91 -0.00 0.04 0.66 -1.93 0.00 0.00 178.83 178.51 1yia h SER 103 N -0.00 0.00 -0.42 -0.69 4.64 -1.92 -0.27 113.55 114.89 1yia h SER 103 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1yia h SER 103 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1yia h SER 103 CO -0.69 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.27 1yia n ALA 104 N -2.11 2.54 -3.43 5.18 0.00 -0.35 -4.27 120.51 118.07 1yia n ALA 104 Ca -0.03 -0.80 -0.26 0.00 0.00 0.00 0.00 53.44 52.35 1yia n ALA 104 Cb 0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 1yia n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1yia n VAL 105 N 0.71 0.83 0.34 0.00 0.31 -0.11 -4.93 118.33 115.47 1yia n VAL 105 Ca 0.15 -4.56 0.18 0.00 -0.01 0.00 0.00 64.34 60.10 1yia n VAL 105 Cb 0.42 -2.01 0.98 0.00 -0.91 0.00 0.00 33.84 32.31 1yia n VAL 105 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1yia h PRO 106 N 4.52 0.00 -0.20 5.55 0.13 -1.76 -0.57 132.00 139.67 1yia h PRO 106 Ca 0.16 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.31 1yia h PRO 106 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1yia h PRO 106 CO 0.64 0.00 0.14 0.93 -0.23 0.00 0.00 178.00 179.48 1yia h GLU 107 N 0.00 0.17 -0.28 0.86 3.07 -1.92 -1.73 114.58 114.74 1yia h GLU 107 Ca 0.00 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 1yia h GLU 107 Cb 0.41 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1yia h GLU 107 CO -0.00 0.11 -0.10 -0.07 -1.40 0.00 0.00 179.01 177.55 1yia h LEU 108 N 0.17 0.45 -0.47 1.33 3.38 -1.44 -1.44 115.31 117.28 1yia h LEU 108 Ca 0.08 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1yia h LEU 108 Cb 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1yia h LEU 108 CO -0.01 0.59 -0.61 0.00 0.09 0.00 0.00 178.44 178.49 1yia h ALA 109 N 1.46 0.66 0.23 1.53 0.00 -1.50 -0.93 119.26 120.70 1yia h ALA 109 Ca 0.08 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1yia h ALA 109 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1yia h ALA 109 CO 0.02 0.71 -0.16 1.49 0.00 0.00 0.00 179.25 181.32 1yia h GLU 110 N 0.38 -0.37 0.00 0.00 4.81 -0.90 -0.58 114.58 117.92 1yia h GLU 110 Ca -0.01 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1yia h GLU 110 Cb 1.17 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1yia h GLU 110 CO 0.11 -0.24 -0.16 1.25 -0.73 0.00 0.00 179.01 179.24 1yia h LEU 111 N -0.38 0.00 -0.17 1.64 5.85 -1.19 -1.79 115.31 119.27 1yia h LEU 111 Ca -0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1yia h LEU 111 Cb 0.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1yia h LEU 111 CO 0.01 0.16 0.01 0.74 -0.34 0.00 0.00 178.44 179.02 1yia h THR 112 N 0.00 1.25 -0.27 1.05 2.02 -0.22 -1.36 112.91 115.37 1yia h THR 112 Ca -0.00 -0.81 0.06 0.00 0.77 0.00 0.00 66.41 66.42 1yia h THR 112 Cb 0.35 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1yia h THR 112 CO 0.02 0.24 -0.11 0.58 0.37 0.00 0.00 175.52 176.63 1yia h VAL 113 N 0.04 0.64 -0.88 3.16 2.07 -0.27 -0.69 116.25 120.33 1yia h VAL 113 Ca 0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1yia h VAL 113 Cb 0.36 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1yia h VAL 113 CO 0.01 0.00 0.57 1.88 0.02 0.00 0.00 177.57 180.05 1yia h TYR 114 N -0.06 1.01 -0.26 1.57 0.99 -1.24 -1.31 116.97 117.66 1yia h TYR 114 Ca 0.14 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.82 1yia h TYR 114 Cb 0.27 -0.33 -0.01 0.00 1.00 0.00 0.00 36.73 37.65 1yia h TYR 114 CO -0.30 0.54 -0.17 0.74 -0.00 0.00 0.00 178.16 178.98 1yia h PHE 115 N 1.01 0.50 -0.42 4.88 -1.00 -0.04 -2.73 116.94 119.13 1yia h PHE 115 Ca 0.37 -0.08 0.12 0.00 2.81 0.00 0.00 57.97 61.19 1yia h PHE 115 Cb 0.17 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 1yia h PHE 115 CO -0.00 0.61 0.37 -0.07 -1.61 0.00 0.00 178.31 177.60 1yia h LEU 116 N 0.42 0.00 0.00 1.54 3.38 0.04 0.38 115.31 121.07 1yia h LEU 116 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1yia h LEU 116 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1yia h LEU 116 CO 0.03 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.15 1yia n ASN 117 N -4.03 0.00 -1.09 -0.43 5.03 -1.03 -3.34 115.26 110.37 1yia n ASN 117 Ca 0.07 0.09 0.11 0.00 0.87 0.00 0.00 54.58 55.73 1yia n ASN 117 Cb 0.55 -0.35 0.19 0.00 -1.02 0.00 0.00 39.78 39.16 1yia n ASN 117 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1yia n LEU 118 N -1.35 3.34 -4.01 3.41 4.77 0.13 -4.97 117.00 118.33 1yia n LEU 118 Ca 0.10 -1.45 -0.08 0.00 -0.03 0.00 0.00 56.01 54.55 1yia n LEU 118 Cb 0.22 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 1yia n LEU 118 CO 0.20 0.71 -0.32 0.54 -1.33 0.00 0.00 177.39 177.19 1yia s VAL 119 N -1.49 0.16 0.20 4.08 0.11 -1.21 -4.91 120.40 117.34 1yia s VAL 119 Ca 0.36 -1.29 -0.01 0.00 -2.93 0.00 0.00 61.98 58.11 1yia s VAL 119 Cb 0.21 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1yia s VAL 119 CO 0.30 -0.71 0.39 0.42 -3.33 0.00 0.00 175.10 172.17 1yia s THR 120 N -2.69 5.21 0.51 5.04 -4.23 -1.26 -4.97 115.64 113.23 1yia s THR 120 Ca -0.04 -0.38 0.19 0.00 -1.18 0.00 0.00 61.69 60.28 1yia s THR 120 Cb -0.01 -3.74 0.27 0.00 1.34 0.00 0.00 72.50 70.36 1yia s THR 120 CO -0.05 -0.18 2.13 0.58 -0.54 0.00 0.00 174.62 176.55 1yia h VAL 121 N 1.53 0.90 0.00 2.29 2.07 -1.99 -1.09 116.25 119.95 1yia h VAL 121 Ca -0.48 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1yia h VAL 121 Cb 1.19 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1yia h VAL 121 CO 0.68 0.06 0.00 0.28 0.02 0.00 0.00 177.57 178.60 1yia h SER 122 N 0.00 0.00 0.44 0.57 0.02 -1.99 -0.83 113.55 111.76 1yia h SER 122 Ca -0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1yia h SER 122 Cb 0.11 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1yia h SER 122 CO 0.01 0.00 -1.64 -0.74 -1.14 0.00 0.00 176.83 173.32 1yia h HIS 123 N 0.00 0.30 -0.15 3.45 6.17 -1.63 -3.27 115.15 120.02 1yia h HIS 123 Ca 0.00 -0.22 -0.14 0.00 0.71 0.00 0.00 60.37 60.72 1yia h HIS 123 Cb 0.70 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.61 1yia h HIS 123 CO 0.00 1.33 -0.50 -0.07 0.71 0.00 0.00 177.93 179.40 1yia h LEU 124 N 0.04 0.43 -2.04 0.26 3.38 -1.02 -3.00 115.31 113.36 1yia h LEU 124 Ca -0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1yia h LEU 124 Cb 2.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 1yia h LEU 124 CO 0.12 0.86 -0.05 -0.09 0.09 0.00 0.00 178.44 179.37 1yia h ARG 125 N 0.31 0.00 -0.64 1.13 2.43 -1.24 -2.61 114.38 113.76 1yia h ARG 125 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1yia h ARG 125 Cb 0.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1yia h ARG 125 CO 0.09 0.05 0.00 0.00 -1.51 0.00 0.00 179.97 178.60 1yia n GLN 126 N -4.21 3.44 -2.35 0.20 10.64 -1.13 -4.86 117.38 119.11 1yia n GLN 126 Ca -0.03 -2.41 -0.43 0.00 -1.83 0.00 0.00 57.00 52.31 1yia n GLN 126 Cb 0.14 -1.85 -0.02 0.00 -0.86 0.00 0.00 30.24 27.64 1yia n GLN 126 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1yia s ASN 127 N -0.79 6.77 0.33 2.61 3.84 -0.99 -4.89 114.94 121.82 1yia s ASN 127 Ca 0.43 1.59 0.01 0.00 0.21 0.00 0.00 52.86 55.10 1yia s ASN 127 Cb 0.29 -2.54 0.56 0.00 -0.55 0.00 0.00 41.25 39.01 1yia s ASN 127 CO 0.19 -0.93 1.96 1.55 -2.79 0.00 0.00 177.10 177.08 1yia h PRO 128 N 8.96 0.85 0.32 0.43 0.13 -1.92 -2.05 132.00 138.72 1yia h PRO 128 Ca -0.28 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1yia h PRO 128 Cb 1.11 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1yia h PRO 128 CO 0.99 0.62 -0.15 1.15 -0.23 0.00 0.00 178.00 180.38 1yia h THR 129 N 0.86 0.58 -0.73 1.56 2.02 -1.90 -2.06 112.91 113.23 1yia h THR 129 Ca 0.22 -0.72 0.04 0.00 0.77 0.00 0.00 66.41 66.72 1yia h THR 129 Cb 0.01 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1yia h THR 129 CO -0.04 0.12 0.48 1.62 0.37 0.00 0.00 175.52 178.07 1yia h VAL 130 N -0.89 1.10 -0.87 3.16 3.04 -1.95 0.45 116.25 120.29 1yia h VAL 130 Ca -0.04 -0.30 -0.02 0.00 -1.01 0.00 0.00 66.70 65.32 1yia h VAL 130 Cb 0.52 0.14 -0.04 0.00 -2.01 0.00 0.00 31.29 29.91 1yia h VAL 130 CO 0.07 0.16 0.46 0.50 -1.01 0.00 0.00 177.57 177.76 1yia h LYS 131 N 0.88 1.23 -0.26 4.17 3.64 -1.34 0.26 116.57 125.15 1yia h LYS 131 Ca 0.30 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 1yia h LYS 131 Cb 0.07 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1yia h LYS 131 CO -0.09 0.91 -0.23 0.00 -2.27 0.00 0.00 179.45 177.78 1yia h ALA 132 N 1.25 0.38 -0.55 5.00 0.00 -0.48 -1.21 119.26 123.65 1yia h ALA 132 Ca 0.31 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1yia h ALA 132 Cb 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1yia h ALA 132 CO -0.05 0.34 0.36 0.93 0.00 0.00 0.00 179.25 180.84 1yia h GLU 133 N 0.34 0.71 -0.35 0.00 5.08 -0.63 -1.43 114.58 118.30 1yia h GLU 133 Ca 0.05 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1yia h GLU 133 Cb 0.78 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1yia h GLU 133 CO 0.06 0.47 0.09 0.82 -1.00 0.00 0.00 179.01 179.45 1yia h ILE 134 N 0.73 0.86 -0.41 3.13 2.04 -0.24 -1.10 117.51 122.52 1yia h ILE 134 Ca 0.21 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 1yia h ILE 134 Cb -0.07 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1yia h ILE 134 CO -0.05 0.04 0.09 0.00 0.00 0.00 0.00 178.15 178.23 1yia h ALA 135 N 1.25 1.38 -0.41 1.87 0.00 -0.91 -2.26 119.26 120.18 1yia h ALA 135 Ca 0.16 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1yia h ALA 135 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1yia h ALA 135 CO -0.20 0.44 -0.23 0.37 0.00 0.00 0.00 179.25 179.64 1yia h GLN 136 N 0.60 0.83 -0.00 0.00 5.75 -0.47 -2.73 115.11 119.08 1yia h GLN 136 Ca 0.14 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1yia h GLN 136 Cb 0.25 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1yia h GLN 136 CO -0.00 0.97 -0.01 1.63 -2.65 0.00 0.00 178.83 178.77 1yia n LYS 137 N -4.11 0.87 -1.85 1.69 5.02 -0.49 -4.90 118.16 114.40 1yia n LYS 137 Ca 0.00 -0.08 -0.20 0.00 -2.02 0.00 0.00 58.31 56.01 1yia n LYS 137 Cb 0.44 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.89 1yia n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yia n GLY 138 N 1.11 1.13 0.33 0.72 0.00 -0.89 -4.87 105.19 102.72 1yia n GLY 138 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 1yia n GLY 138 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1yia h TYR 139 N 0.00 1.12 -0.62 1.61 0.05 -1.81 -3.49 116.97 113.83 1yia h TYR 139 Ca -0.43 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1yia h TYR 139 Cb 1.32 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.71 1yia h TYR 139 CO 0.57 0.80 0.00 0.41 -1.05 0.00 0.00 178.16 178.89 1yia n GLY 140 N -1.05 0.11 0.15 3.88 0.00 -1.26 -2.16 105.19 104.85 1yia n GLY 140 Ca 0.07 -0.99 0.10 0.00 0.00 0.00 0.00 46.02 45.20 1yia n GLY 140 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yia n GLU 141 N 0.00 0.12 -0.92 1.61 -0.58 -1.26 -2.75 120.64 116.86 1yia n GLU 141 Ca 0.00 0.62 -0.12 0.00 -0.42 0.00 0.00 57.16 57.24 1yia n GLU 141 Cb 0.00 -1.93 -0.06 0.00 -0.57 0.00 0.00 31.44 28.88 1yia n GLU 141 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1yia n ARG 142 N -2.17 1.73 -2.65 3.49 1.74 -0.92 -4.91 116.66 112.97 1yia n ARG 142 Ca -0.01 -1.06 -0.42 0.00 -0.77 0.00 0.00 57.85 55.59 1yia n ARG 142 Cb 0.06 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 29.82 1yia n ARG 142 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yia s VAL 143 N -0.55 4.71 0.41 1.55 1.01 -1.11 -4.87 120.40 121.55 1yia s VAL 143 Ca 0.38 1.96 -0.26 0.00 0.00 0.00 0.00 61.98 64.06 1yia s VAL 143 Cb 0.22 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 1yia s VAL 143 CO -0.04 0.07 1.39 -2.65 0.00 0.00 0.00 175.10 173.87 1yia n PRO 144 N 4.53 2.28 -0.17 2.72 -0.02 -1.26 -4.81 135.00 138.27 1yia n PRO 144 Ca 0.08 0.81 -0.05 0.00 -2.02 0.00 0.00 63.50 62.32 1yia n PRO 144 Cb 0.49 -2.54 0.05 0.00 -0.02 0.00 0.00 33.50 31.48 1yia n PRO 144 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yia h ALA 145 N 2.47 0.66 -0.88 3.55 0.00 -1.96 -2.02 119.26 121.08 1yia h ALA 145 Ca -0.49 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.53 1yia h ALA 145 Cb 1.27 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1yia h ALA 145 CO 0.62 -0.05 0.52 0.78 0.00 0.00 0.00 179.25 181.12 1yia h GLY 146 N 0.55 1.40 0.54 0.00 0.00 -1.91 -1.29 103.07 102.36 1yia h GLY 146 Ca 0.22 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1yia h GLY 146 CO -0.14 0.13 -0.18 -2.75 0.00 0.00 0.00 176.54 173.60 1yia h PHE 147 N 0.85 -0.47 -1.06 5.60 3.57 -1.65 -1.37 116.94 122.40 1yia h PHE 147 Ca 0.43 -0.01 0.31 0.00 3.53 0.00 0.00 57.97 62.23 1yia h PHE 147 Cb 0.41 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1yia h PHE 147 CO -0.04 -0.15 0.82 0.35 -2.23 0.00 0.00 178.31 177.06 1yia h PHE 148 N -0.98 0.00 -0.00 0.41 3.04 -1.16 0.12 116.94 118.38 1yia h PHE 148 Ca -0.05 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.90 1yia h PHE 148 Cb 0.53 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.04 1yia h PHE 148 CO 0.03 0.00 -0.77 0.28 -2.02 0.00 0.00 178.31 175.82 1yia n VAL 149 N -4.03 0.00 -0.16 1.41 0.31 -0.51 -4.60 118.33 110.75 1yia n VAL 149 Ca 0.23 -0.01 0.29 0.00 -0.01 0.00 0.00 64.34 64.84 1yia n VAL 149 Cb 1.18 0.69 0.70 0.00 -0.91 0.00 0.00 33.84 35.51 1yia n VAL 149 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 1yia h TYR 150 N 0.08 0.00 -0.79 3.52 -0.00 0.21 -2.20 116.97 117.79 1yia h TYR 150 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.73 58.79 1yia h TYR 150 Cb 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 37.18 1yia h TYR 150 CO 0.00 0.00 0.48 -1.35 -0.00 0.00 0.00 178.16 177.29 1yia h PRO 151 N 0.00 0.86 0.00 0.10 0.11 -1.81 -0.38 132.00 130.88 1yia h PRO 151 Ca 0.43 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.32 1yia h PRO 151 Cb 1.94 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.83 1yia h PRO 151 CO -0.00 0.57 -0.77 -0.39 -0.21 0.00 0.00 178.00 177.19 1yia h VAL 152 N 0.88 1.53 -0.87 3.15 -1.51 -1.77 -2.43 116.25 115.23 1yia h VAL 152 Ca 0.34 -2.66 0.12 0.00 -1.23 0.00 0.00 66.70 63.27 1yia h VAL 152 Cb 0.16 2.44 -0.07 0.00 -2.13 0.00 0.00 31.29 31.69 1yia h VAL 152 CO -0.17 0.75 0.56 -1.28 -1.23 0.00 0.00 177.57 176.21 1yia h SER 153 N 0.00 0.71 0.41 4.19 0.87 -1.06 0.14 113.55 118.81 1yia h SER 153 Ca -0.01 0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.41 1yia h SER 153 Cb 1.38 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 1yia h SER 153 CO 0.10 0.39 -0.73 -0.61 -0.53 0.00 0.00 176.83 175.45 1yia h GLN 154 N 0.77 0.26 -0.38 2.24 4.15 -1.05 -2.18 115.11 118.92 1yia h GLN 154 Ca 0.42 -0.22 -0.07 0.00 0.77 0.00 0.00 58.65 59.55 1yia h GLN 154 Cb 0.56 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 1yia h GLN 154 CO -0.19 0.88 -0.05 0.00 -1.93 0.00 0.00 178.83 177.54 1yia h ALA 155 N 1.06 1.22 -0.69 3.38 0.00 -0.46 -0.10 119.26 123.66 1yia h ALA 155 Ca -0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1yia h ALA 155 Cb 1.29 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1yia h ALA 155 CO 0.11 0.51 0.17 0.00 0.00 0.00 0.00 179.25 180.05 1yia h ALA 156 N 1.37 0.91 -0.01 0.00 0.00 -0.40 -0.87 119.26 120.26 1yia h ALA 156 Ca 0.11 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1yia h ALA 156 Cb 0.44 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1yia h ALA 156 CO 0.02 0.63 -0.19 -0.44 0.00 0.00 0.00 179.25 179.27 1yia h ASP 157 N 1.04 -0.57 0.32 0.00 3.45 -0.54 0.61 116.42 120.74 1yia h ASP 157 Ca 0.22 0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.76 1yia h ASP 157 Cb 0.36 0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.35 1yia h ASP 157 CO 0.00 -0.26 -0.30 0.40 -1.57 0.00 0.00 179.24 177.51 1yia h ILE 158 N -0.30 0.37 -0.10 0.35 2.04 -0.71 -2.92 117.51 116.23 1yia h ILE 158 Ca 0.06 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 1yia h ILE 158 Cb 0.39 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1yia h ILE 158 CO -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.75 1yia h ALA 159 N -0.10 1.45 -0.12 1.87 0.00 -0.90 -2.67 119.26 118.80 1yia h ALA 159 Ca -0.02 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1yia h ALA 159 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1yia h ALA 159 CO -0.05 0.39 -0.44 0.00 0.00 0.00 0.00 179.25 179.15 1yia h ALA 160 N 1.62 1.03 -0.10 0.00 0.00 -0.79 -2.91 119.26 118.11 1yia h ALA 160 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1yia h ALA 160 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yia h ALA 160 CO 0.03 0.62 0.00 1.19 0.00 0.00 0.00 179.25 181.09 1yia n PHE 161 N -4.00 0.11 -1.41 0.00 3.01 -1.08 -4.00 117.46 110.10 1yia n PHE 161 Ca -0.02 -0.06 -0.14 0.00 1.01 0.00 0.00 57.45 58.25 1yia n PHE 161 Cb 0.51 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.92 1yia n PHE 161 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yia n GLY 162 N 1.15 1.41 3.67 1.37 0.00 -1.04 -4.92 105.19 106.85 1yia n GLY 162 Ca 0.18 -0.14 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1yia n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yia n ALA 163 N 1.26 1.37 0.37 4.61 0.00 -1.04 -4.74 120.51 122.35 1yia n ALA 163 Ca -0.14 0.43 0.07 0.00 0.00 0.00 0.00 53.44 53.80 1yia n ALA 163 Cb 0.55 -2.34 -0.09 0.00 0.00 0.00 0.00 19.45 17.56 1yia n ALA 163 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yia n THR 164 N 3.02 0.00 -4.23 0.00 -2.24 0.25 -4.30 114.28 106.78 1yia n THR 164 Ca 0.15 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 1yia n THR 164 Cb 0.30 0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 69.00 1yia n THR 164 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1yia s LEU 165 N -3.26 1.44 -0.31 3.22 0.20 -0.93 -0.10 118.68 118.94 1yia s LEU 165 Ca 0.01 -0.15 -0.02 0.00 0.69 0.00 0.00 54.13 54.66 1yia s LEU 165 Cb 0.10 -0.48 0.11 0.00 -0.43 0.00 0.00 46.19 45.49 1yia s LEU 165 CO 0.59 -0.03 0.13 -0.69 -0.29 0.00 0.00 176.35 176.07 1yia s VAL 166 N 0.76 0.33 0.48 1.68 1.01 -0.68 -2.45 120.40 121.53 1yia s VAL 166 Ca -0.11 -1.14 -0.22 0.00 0.00 0.00 0.00 61.98 60.51 1yia s VAL 166 Cb -0.14 -1.27 -0.10 0.00 0.00 0.00 0.00 36.38 34.88 1yia s VAL 166 CO 0.01 -0.74 0.82 -2.65 0.00 0.00 0.00 175.10 172.53 1yia n PRO 167 N 4.93 0.96 -3.68 2.72 -0.02 -1.26 -3.25 135.00 135.39 1yia n PRO 167 Ca -0.02 0.35 -0.10 0.00 -2.02 0.00 0.00 63.50 61.71 1yia n PRO 167 Cb 0.41 -1.89 -0.09 0.00 -0.02 0.00 0.00 33.50 31.91 1yia n PRO 167 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1yia s VAL 168 N -1.44 -0.01 0.76 -1.45 0.11 -1.10 -4.82 120.40 112.45 1yia s VAL 168 Ca 0.66 0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.65 1yia s VAL 168 Cb -0.52 -0.73 0.05 0.00 -1.53 0.00 0.00 36.38 33.64 1yia s VAL 168 CO 0.55 0.02 1.09 -0.83 -3.33 0.00 0.00 175.10 172.60 1yia s GLY 169 N 1.18 1.72 0.31 6.54 0.00 -1.26 -4.21 107.32 111.60 1yia s GLY 169 Ca -0.07 0.28 0.08 0.00 0.00 0.00 0.00 44.72 45.01 1yia s GLY 169 CO -0.11 0.63 1.66 -0.55 0.00 0.00 0.00 173.10 174.73 1yia h ASP 170 N -0.99 0.30 -0.30 1.64 5.19 -1.96 -1.07 116.42 119.24 1yia h ASP 170 Ca -0.44 0.19 0.02 0.00 -0.62 0.00 0.00 57.03 56.18 1yia h ASP 170 Cb 1.23 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.91 1yia h ASP 170 CO 0.52 -0.12 0.20 0.44 -3.12 0.00 0.00 179.24 177.16 1yia h ASP 171 N 0.30 0.28 -0.62 6.45 5.19 -2.04 -2.87 116.42 123.10 1yia h ASP 171 Ca 0.64 -0.01 -0.16 0.00 -0.62 0.00 0.00 57.03 56.89 1yia h ASP 171 Cb 1.36 -0.07 -0.10 0.00 0.18 0.00 0.00 39.33 40.71 1yia h ASP 171 CO -0.61 0.20 0.20 0.00 -3.12 0.00 0.00 179.24 175.91 1yia n GLN 172 N -4.49 3.51 -0.01 3.56 6.02 -0.41 -4.44 117.38 121.12 1yia n GLN 172 Ca 0.02 -2.64 -0.13 0.00 -0.01 0.00 0.00 57.00 54.24 1yia n GLN 172 Cb 0.13 -2.10 -0.10 0.00 1.02 0.00 0.00 30.24 29.19 1yia n GLN 172 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1yia h LEU 173 N 2.54 0.01 -0.88 1.08 3.38 -1.58 -2.59 115.31 117.27 1yia h LEU 173 Ca 0.20 -0.47 0.22 0.00 0.09 0.00 0.00 57.88 57.91 1yia h LEU 173 Cb 2.07 -0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.69 1yia h LEU 173 CO 0.61 0.47 0.35 1.55 0.09 0.00 0.00 178.44 181.51 1yia h PRO 174 N -0.46 0.35 -0.14 1.13 0.13 -1.84 0.32 132.00 131.48 1yia h PRO 174 Ca 0.00 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1yia h PRO 174 Cb 0.47 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1yia h PRO 174 CO 0.00 0.23 0.06 1.98 -0.23 0.00 0.00 178.00 180.04 1yia h MET 175 N 0.36 0.22 -0.66 0.86 1.85 -1.87 0.64 114.93 116.33 1yia h MET 175 Ca 0.54 -0.04 0.09 0.00 -0.61 0.00 0.00 59.70 59.68 1yia h MET 175 Cb 1.03 -0.03 -0.07 0.00 0.43 0.00 0.00 31.60 32.96 1yia h MET 175 CO -0.54 0.31 0.30 1.25 -0.40 0.00 0.00 176.91 177.83 1yia h LEU 176 N 0.07 0.37 -1.49 3.39 7.12 -0.14 0.35 115.31 124.99 1yia h LEU 176 Ca 0.05 0.06 -0.05 0.00 0.13 0.00 0.00 57.88 58.07 1yia h LEU 176 Cb 0.18 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1yia h LEU 176 CO -0.00 0.22 -0.25 -0.33 -0.13 0.00 0.00 178.44 177.95 1yia h GLU 177 N 0.53 0.00 -0.11 1.25 4.39 -0.25 -2.10 114.58 118.28 1yia h GLU 177 Ca 0.33 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.83 1yia h GLU 177 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1yia h GLU 177 CO -0.27 0.25 -0.73 0.37 -1.16 0.00 0.00 179.01 177.46 1yia h GLN 178 N 0.00 0.56 -0.22 2.33 4.15 0.20 -2.90 115.11 119.23 1yia h GLN 178 Ca -0.00 -0.45 0.02 0.00 0.77 0.00 0.00 58.65 58.99 1yia h GLN 178 Cb 0.54 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 1yia h GLN 178 CO 0.03 1.07 0.08 1.15 -1.93 0.00 0.00 178.83 179.23 1yia h THR 179 N 0.39 0.94 -0.94 2.39 2.02 -0.40 -0.90 112.91 116.41 1yia h THR 179 Ca -0.04 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1yia h THR 179 Cb 1.33 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 68.43 1yia h THR 179 CO 0.14 0.03 0.61 0.03 0.37 0.00 0.00 175.52 176.70 1yia h ARG 180 N 0.18 1.10 0.10 6.66 3.08 -1.45 0.26 114.38 124.31 1yia h ARG 180 Ca 0.10 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1yia h ARG 180 Cb 0.06 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.87 1yia h ARG 180 CO -0.10 0.73 -0.05 1.49 -1.07 0.00 0.00 179.97 180.97 1yia h GLU 181 N 1.13 -0.13 -0.43 0.04 4.57 -1.15 0.48 114.58 119.09 1yia h GLU 181 Ca 0.39 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.55 1yia h GLU 181 Cb 0.10 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1yia h GLU 181 CO -0.14 -0.07 0.16 0.82 -1.18 0.00 0.00 179.01 178.61 1yia h ILE 182 N -0.16 1.21 -0.30 2.32 2.04 -0.46 0.20 117.51 122.36 1yia h ILE 182 Ca -0.01 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1yia h ILE 182 Cb 0.13 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1yia h ILE 182 CO 0.02 0.24 0.19 0.58 0.00 0.00 0.00 178.15 179.19 1yia h VAL 183 N 0.56 1.07 -0.08 1.67 2.07 -0.24 0.34 116.25 121.63 1yia h VAL 183 Ca 0.14 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1yia h VAL 183 Cb 0.21 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1yia h VAL 183 CO -0.01 0.07 -0.21 -0.09 0.02 0.00 0.00 177.57 177.35 1yia h ARG 184 N 0.40 -0.29 0.00 1.57 9.65 0.60 -1.01 114.38 125.30 1yia h ARG 184 Ca 0.11 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 1yia h ARG 184 Cb -0.04 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1yia h ARG 184 CO -0.03 -0.19 -0.07 0.00 2.80 0.00 0.00 179.97 182.48 1yia h ARG 185 N -0.30 0.00 -0.21 0.20 3.08 -0.35 -2.60 114.38 114.21 1yia h ARG 185 Ca 0.08 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.96 1yia h ARG 185 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1yia h ARG 185 CO -0.25 0.07 -0.54 0.35 -1.07 0.00 0.00 179.97 178.54 1yia h PHE 186 N 0.00 0.94 -0.28 3.04 3.04 0.11 -2.27 116.94 121.51 1yia h PHE 186 Ca -0.00 -0.36 -0.04 0.00 3.98 0.00 0.00 57.97 61.54 1yia h PHE 186 Cb 0.14 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.47 1yia h PHE 186 CO 0.00 1.16 -0.01 -0.91 -2.02 0.00 0.00 178.31 176.54 1yia h ASN 187 N 0.44 0.40 0.06 0.41 2.35 -0.85 -2.37 115.58 116.01 1yia h ASN 187 Ca -0.01 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 1yia h ASN 187 Cb 1.15 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 39.43 1yia h ASN 187 CO 0.12 0.47 -0.46 0.00 -1.65 0.00 0.00 177.43 175.91 1yia h ALA 188 N 1.58 -0.02 -0.01 -0.83 0.00 -1.48 -2.95 119.26 115.55 1yia h ALA 188 Ca 0.09 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1yia h ALA 188 Cb 0.29 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1yia h ALA 188 CO 0.01 0.21 0.00 -0.07 0.00 0.00 0.00 179.25 179.41 1yia h LEU 189 N -0.52 0.01 0.00 0.00 3.38 -1.41 -3.42 115.31 113.35 1yia h LEU 189 Ca -0.07 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1yia h LEU 189 Cb 1.29 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1yia h LEU 189 CO 0.09 0.15 0.00 -1.22 0.09 0.00 0.00 178.44 177.55 1yia n TYR 190 N -5.01 0.00 -3.60 1.13 0.53 -0.90 -5.11 117.16 104.20 1yia n TYR 190 Ca -0.07 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.65 1yia n TYR 190 Cb 0.10 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.34 1yia n TYR 190 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1yia s ALA 191 N -4.35 -1.57 -0.86 -0.72 0.00 -1.15 -4.97 121.76 108.13 1yia s ALA 191 Ca 0.00 1.39 -0.22 0.00 0.00 0.00 0.00 51.96 53.13 1yia s ALA 191 Cb 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 23.12 22.57 1yia s ALA 191 CO 0.00 -0.33 1.94 -0.35 0.00 0.00 0.00 175.76 177.02 1yia n PRO 192 N 1.69 1.60 0.00 0.00 -0.04 -1.13 -4.26 135.00 132.86 1yia n PRO 192 Ca -0.17 -1.98 0.05 0.00 -0.04 0.00 0.00 63.50 61.36 1yia n PRO 192 Cb 0.56 -3.05 0.03 0.00 -0.04 0.00 0.00 33.50 31.00 1yia n PRO 192 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1yia n VAL 193 N 6.20 0.00 -4.40 0.52 0.24 -1.26 -4.99 118.33 114.64 1yia n VAL 193 Ca 0.49 -0.46 -0.34 0.00 -2.04 0.00 0.00 64.34 61.99 1yia n VAL 193 Cb 0.41 1.20 -0.10 0.00 -1.47 0.00 0.00 33.84 33.88 1yia n VAL 193 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1yia s LEU 194 N -1.17 3.43 -0.14 1.34 1.43 -1.26 -5.00 118.68 117.30 1yia s LEU 194 Ca 0.12 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 1yia s LEU 194 Cb 0.09 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1yia s LEU 194 CO 0.18 0.33 0.29 0.00 0.23 0.00 0.00 176.35 177.38 1yia s ALA 195 N -0.96 3.62 -0.20 4.21 0.00 -1.26 -4.95 121.76 122.22 1yia s ALA 195 Ca 0.16 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 1yia s ALA 195 Cb -0.11 -2.37 -0.00 0.00 0.00 0.00 0.00 23.12 20.64 1yia s ALA 195 CO 0.06 0.16 1.14 -1.21 0.00 0.00 0.00 175.76 175.90 1yia s GLU 196 N 0.23 4.25 0.61 0.00 2.02 -1.26 -4.89 118.70 119.67 1yia s GLU 196 Ca 0.17 1.49 -0.16 0.00 0.02 0.00 0.00 54.97 56.49 1yia s GLU 196 Cb -0.13 -3.69 -0.02 0.00 0.10 0.00 0.00 34.13 30.38 1yia s GLU 196 CO 0.05 -0.65 1.10 -1.25 0.02 0.00 0.00 175.26 174.53 1yia s PRO 197 N 3.28 3.06 0.10 0.39 0.04 -1.26 -4.88 135.00 135.73 1yia s PRO 197 Ca 0.49 1.40 0.10 0.00 0.04 0.00 0.00 61.00 63.03 1yia s PRO 197 Cb -0.18 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1yia s PRO 197 CO 0.10 -1.04 -0.26 1.14 0.04 0.00 0.00 177.00 176.98 1yia s GLN 198 N -3.88 1.48 0.34 4.56 -2.07 0.85 -4.87 119.66 116.08 1yia s GLN 198 Ca 0.68 -1.23 -0.12 0.00 -1.82 0.00 0.00 55.36 52.87 1yia s GLN 198 Cb -0.20 -1.83 -0.08 0.00 -1.09 0.00 0.00 33.01 29.81 1yia s GLN 198 CO 0.37 0.45 0.71 0.00 -1.32 0.00 0.00 175.29 175.50 1yia s ALA 199 N -0.98 3.38 -0.46 2.60 0.00 -1.26 -1.68 121.76 123.36 1yia s ALA 199 Ca 0.12 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.98 1yia s ALA 199 Cb -0.10 -2.67 0.12 0.00 0.00 0.00 0.00 23.12 20.47 1yia s ALA 199 CO 0.04 0.22 0.21 -1.14 0.00 0.00 0.00 175.76 175.10 1yia s GLN 200 N -3.32 1.67 0.54 0.00 0.74 -1.20 -4.88 119.66 113.21 1yia s GLN 200 Ca 0.52 -2.28 -0.22 0.00 0.05 0.00 0.00 55.36 53.43 1yia s GLN 200 Cb -0.10 -3.01 -0.05 0.00 1.10 0.00 0.00 33.01 30.95 1yia s GLN 200 CO 0.24 -1.09 1.30 -0.51 -0.55 0.00 0.00 175.29 174.68 1yia s LEU 201 N 0.15 3.85 0.47 3.68 1.02 -1.26 -2.70 118.68 123.89 1yia s LEU 201 Ca 0.16 2.63 0.07 0.00 0.02 0.00 0.00 54.13 57.01 1yia s LEU 201 Cb -0.24 -4.31 0.01 0.00 0.02 0.00 0.00 46.19 41.66 1yia s LEU 201 CO -0.03 -1.46 0.42 -0.94 0.02 0.00 0.00 176.35 174.37 1yia s SER 202 N -1.12 4.93 0.00 2.29 1.04 -1.26 -4.96 113.70 114.62 1yia s SER 202 Ca 0.71 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1yia s SER 202 Cb -0.37 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1yia s SER 202 CO 0.43 -0.85 0.00 0.54 0.98 0.00 0.00 173.24 174.34 1yia n ARG 203 N -1.67 0.00 -1.50 4.02 1.74 -1.26 -4.86 116.66 113.12 1yia n ARG 203 Ca 0.03 0.19 -0.48 0.00 -0.77 0.00 0.00 57.85 56.83 1yia n ARG 203 Cb 0.62 -0.68 -0.06 0.00 -1.02 0.00 0.00 32.46 31.33 1yia n ARG 203 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1yia n VAL 204 N -2.25 0.24 -1.03 1.55 0.31 -1.26 -4.95 118.33 110.94 1yia n VAL 204 Ca 0.00 -0.34 -0.29 0.00 -0.01 0.00 0.00 64.34 63.70 1yia n VAL 204 Cb 0.00 -1.99 0.21 0.00 -0.91 0.00 0.00 33.84 31.15 1yia n VAL 204 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1yia s PRO 205 N 6.30 -0.25 -0.57 5.55 0.04 -1.26 -4.73 135.00 140.08 1yia s PRO 205 Ca 1.06 0.42 -0.33 0.00 0.04 0.00 0.00 61.00 62.20 1yia s PRO 205 Cb -0.66 -1.67 -0.17 0.00 0.04 0.00 0.00 34.50 32.04 1yia s PRO 205 CO 0.44 -3.17 1.96 -2.13 0.04 0.00 0.00 177.00 174.14 1yia n ARG 206 N -4.47 0.00 -1.64 4.56 0.63 -1.26 -4.78 116.66 109.70 1yia n ARG 206 Ca 0.06 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.55 1yia n ARG 206 Cb 0.57 -1.26 -0.02 0.00 0.45 0.00 0.00 32.46 32.20 1yia n ARG 206 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1yia n LEU 207 N 7.19 2.64 -4.91 6.15 7.94 -1.26 -4.85 117.00 129.89 1yia n LEU 207 Ca 0.50 1.17 -0.27 0.00 -1.11 0.00 0.00 56.01 56.30 1yia n LEU 207 Cb -0.01 -1.38 0.01 0.00 0.53 0.00 0.00 43.42 42.57 1yia n LEU 207 CO 0.76 -0.87 0.46 -2.16 -1.11 0.00 0.00 177.39 174.47 1yia s PRO 208 N -1.22 3.38 0.70 1.96 0.04 -1.26 -3.85 135.00 134.75 1yia s PRO 208 Ca 0.62 0.14 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 1yia s PRO 208 Cb -0.66 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 31.53 1yia s PRO 208 CO 0.57 -0.33 1.08 0.20 0.04 0.00 0.00 177.00 178.56 1yia s GLY 209 N -4.16 1.64 0.38 0.56 0.00 -1.24 -4.63 107.32 99.87 1yia s GLY 209 Ca 0.49 -0.24 0.09 0.00 0.00 0.00 0.00 44.72 45.07 1yia s GLY 209 CO 0.45 0.11 1.93 1.41 0.00 0.00 0.00 173.10 177.00 1yia h LEU 210 N -0.63 0.58 -0.95 0.66 3.38 -1.84 -0.33 115.31 116.18 1yia h LEU 210 Ca -0.45 0.02 0.23 0.00 0.09 0.00 0.00 57.88 57.77 1yia h LEU 210 Cb 1.24 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.76 1yia h LEU 210 CO 0.62 0.34 0.50 0.44 0.09 0.00 0.00 178.44 180.44 1yia h ASP 211 N 0.64 0.52 0.00 -0.43 3.45 -1.91 -1.98 116.42 116.71 1yia h ASP 211 Ca 0.35 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.95 1yia h ASP 211 Cb 0.50 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 1yia h ASP 211 CO -0.13 0.06 0.00 0.61 -1.57 0.00 0.00 179.24 178.21 1yia n GLY 212 N -1.32 0.88 0.00 2.75 0.00 -0.14 -4.48 105.19 102.89 1yia n GLY 212 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1yia n GLY 212 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yia n GLN 213 N -0.74 -0.88 -0.04 1.61 6.02 -1.26 -4.85 117.38 117.23 1yia n GLN 213 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1yia n GLN 213 Cb 0.00 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.12 1yia n GLN 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yia n ALA 214 N -3.00 1.94 -2.80 -1.58 0.00 -1.26 -3.78 120.51 110.03 1yia n ALA 214 Ca 0.00 -0.92 -0.34 0.00 0.00 0.00 0.00 53.44 52.18 1yia n ALA 214 Cb 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 1yia n ALA 214 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1yia s LYS 215 N -2.86 3.17 -0.16 0.00 1.02 -1.26 -4.05 119.74 115.60 1yia s LYS 215 Ca -0.08 -0.57 -0.06 0.00 0.02 0.00 0.00 55.97 55.28 1yia s LYS 215 Cb 0.09 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1yia s LYS 215 CO 0.85 0.43 0.04 1.41 -0.92 0.00 0.00 175.35 177.16 1yia s MET 216 N -0.19 3.71 -0.14 1.68 -2.45 -1.25 -3.63 119.30 117.03 1yia s MET 216 Ca 0.02 -0.36 -0.30 0.00 -1.25 0.00 0.00 55.69 53.80 1yia s MET 216 Cb -0.13 -3.09 0.11 0.00 1.25 0.00 0.00 34.83 32.97 1yia s MET 216 CO 0.03 0.39 0.90 0.45 1.05 0.00 0.00 175.02 177.85 1yia s SER 217 N 0.01 -0.47 0.53 1.11 0.15 -1.26 -4.95 113.70 108.83 1yia s SER 217 Ca 0.05 0.55 0.35 0.00 0.70 0.00 0.00 55.95 57.60 1yia s SER 217 Cb -0.12 0.44 1.57 0.00 -1.71 0.00 0.00 66.02 66.20 1yia s SER 217 CO 0.01 -0.40 2.03 0.50 1.20 0.00 0.00 173.24 176.58 1yia h LYS 218 N 2.87 0.00 -0.31 5.44 3.64 -1.94 -1.49 116.57 124.78 1yia h LYS 218 Ca -0.22 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.01 1yia h LYS 218 Cb 1.16 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1yia h LYS 218 CO 0.31 0.00 -0.41 0.77 -2.27 0.00 0.00 179.45 177.85 1yia h SER 219 N 0.00 0.89 0.51 4.20 0.02 -1.99 -2.63 113.55 114.55 1yia h SER 219 Ca 0.00 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1yia h SER 219 Cb 0.34 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1yia h SER 219 CO 0.00 1.21 -0.12 0.18 -1.14 0.00 0.00 176.83 176.97 1yia n LEU 220 N -4.12 0.32 -0.52 5.07 4.77 -0.63 -4.91 117.00 116.98 1yia n LEU 220 Ca -0.04 0.13 -0.07 0.00 -0.03 0.00 0.00 56.01 56.00 1yia n LEU 220 Cb 0.55 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1yia n LEU 220 CO 0.48 0.06 -0.06 0.61 -1.33 0.00 0.00 177.39 177.15 1yia n GLY 221 N 1.34 0.80 2.51 -0.72 0.00 -0.80 -4.90 105.19 103.41 1yia n GLY 221 Ca 0.12 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1yia n GLY 221 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yia n ASN 222 N -0.45 6.09 -4.23 1.61 0.23 -1.21 -4.99 115.26 112.31 1yia n ASN 222 Ca -0.07 -3.77 -0.17 0.00 -0.53 0.00 0.00 54.58 50.03 1yia n ASN 222 Cb 0.39 -0.71 -0.11 0.00 -2.08 0.00 0.00 39.78 37.27 1yia n ASN 222 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1yia s ALA 223 N -3.76 1.42 -0.53 -2.53 0.00 -1.26 -2.61 121.76 112.49 1yia s ALA 223 Ca 0.52 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 1yia s ALA 223 Cb 0.43 -0.06 0.14 0.00 0.00 0.00 0.00 23.12 23.63 1yia s ALA 223 CO -0.19 0.08 0.36 0.42 0.00 0.00 0.00 175.76 176.43 1yia s ILE 224 N -2.13 3.80 0.77 0.00 1.01 -1.26 -5.01 121.20 118.38 1yia s ILE 224 Ca 0.08 -2.34 -0.14 0.00 0.00 0.00 0.00 60.65 58.25 1yia s ILE 224 Cb -0.05 -3.52 0.06 0.00 0.01 0.00 0.00 42.46 38.97 1yia s ILE 224 CO 0.02 -0.80 1.20 0.00 0.00 0.00 0.00 174.94 175.37 1yia s ALA 225 N 0.70 1.97 -1.41 9.38 0.00 -1.26 -2.09 121.76 129.05 1yia s ALA 225 Ca 0.11 0.84 0.14 0.00 0.00 0.00 0.00 51.96 53.05 1yia s ALA 225 Cb -0.22 -3.48 0.68 0.00 0.00 0.00 0.00 23.12 20.10 1yia s ALA 225 CO -0.03 -2.10 1.36 1.28 0.00 0.00 0.00 175.76 176.26 1yia n LEU 226 N -3.05 0.00 -0.23 0.00 4.32 -0.35 -2.37 117.00 115.31 1yia n LEU 226 Ca 0.13 0.29 0.08 0.00 -0.02 0.00 0.00 56.01 56.50 1yia n LEU 226 Cb 0.50 -0.29 -0.04 0.00 -1.62 0.00 0.00 43.42 41.97 1yia n LEU 226 CO 0.48 -0.16 0.14 0.61 -1.22 0.00 0.00 177.39 177.24 1yia n GLY 227 N -0.14 -0.25 3.76 -0.72 0.00 -1.26 -4.79 105.19 101.79 1yia n GLY 227 Ca 0.06 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1yia n GLY 227 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yia s ASP 228 N -2.24 6.48 0.75 1.61 -0.00 -1.00 -5.01 116.67 117.26 1yia s ASP 228 Ca 0.11 2.88 -0.11 0.00 -0.00 0.00 0.00 52.55 55.43 1yia s ASP 228 Cb 0.13 -2.64 0.04 0.00 -0.00 0.00 0.00 42.92 40.45 1yia s ASP 228 CO 0.54 -0.80 1.09 -0.94 -0.00 0.00 0.00 175.17 175.05 1yia s SER 229 N 0.14 4.69 0.41 0.27 1.04 -1.26 -4.67 113.70 114.32 1yia s SER 229 Ca 0.57 1.82 0.19 0.00 0.48 0.00 0.00 55.95 59.01 1yia s SER 229 Cb -0.45 -2.52 1.12 0.00 0.10 0.00 0.00 66.02 64.27 1yia s SER 229 CO 0.52 -1.91 1.78 0.00 0.98 0.00 0.00 173.24 174.61 1yia h ALA 230 N -0.93 2.27 -0.05 5.32 0.00 -1.99 0.38 119.26 124.25 1yia h ALA 230 Ca -0.44 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1yia h ALA 230 Cb 1.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1yia h ALA 230 CO 0.52 -0.66 0.01 -0.44 0.00 0.00 0.00 179.25 178.68 1yia h ASP 231 N 0.38 0.09 0.74 0.00 3.45 -2.00 -2.67 116.42 116.40 1yia h ASP 231 Ca 0.58 -0.25 -0.04 0.00 0.43 0.00 0.00 57.03 57.75 1yia h ASP 231 Cb 1.50 -0.02 0.01 0.00 -0.56 0.00 0.00 39.33 40.26 1yia h ASP 231 CO -0.27 0.32 -0.35 -0.33 -1.57 0.00 0.00 179.24 177.04 1yia h GLU 232 N -0.15 -0.95 -1.08 3.56 4.39 -1.34 -1.01 114.58 118.00 1yia h GLU 232 Ca 0.02 0.06 0.33 0.00 0.34 0.00 0.00 59.36 60.12 1yia h GLU 232 Cb 0.27 0.22 -0.13 0.00 -0.10 0.00 0.00 28.75 29.00 1yia h GLU 232 CO 0.00 -0.61 0.65 -0.24 -1.16 0.00 0.00 179.01 177.65 1yia h VAL 233 N -1.11 0.31 -0.25 3.13 3.04 -1.20 1.37 116.25 121.53 1yia h VAL 233 Ca -0.10 -0.10 -0.17 0.00 -1.01 0.00 0.00 66.70 65.32 1yia h VAL 233 Cb 0.78 -0.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1yia h VAL 233 CO 0.17 0.05 -0.53 0.00 -1.01 0.00 0.00 177.57 176.25 1yia h ALA 234 N 1.74 0.58 -0.15 3.17 0.00 -1.12 -2.25 119.26 121.24 1yia h ALA 234 Ca 0.72 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1yia h ALA 234 Cb 1.83 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1yia h ALA 234 CO -0.50 0.68 -0.37 0.00 0.00 0.00 0.00 179.25 179.07 1yia h ARG 235 N 0.57 0.31 -0.14 0.00 3.08 0.29 -2.10 114.38 116.39 1yia h ARG 235 Ca 0.02 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 59.77 1yia h ARG 235 Cb 1.11 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1yia h ARG 235 CO 0.11 0.64 -0.60 0.87 -1.07 0.00 0.00 179.97 179.92 1yia h LYS 236 N 0.26 0.47 -0.26 0.04 1.79 0.18 -3.07 116.57 115.99 1yia h LYS 236 Ca 0.03 -0.32 -0.19 0.00 -2.18 0.00 0.00 60.65 57.99 1yia h LYS 236 Cb 0.78 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1yia h LYS 236 CO 0.06 0.93 -0.60 0.28 -1.08 0.00 0.00 179.45 179.04 1yia h VAL 237 N 0.35 1.27 0.00 0.50 2.07 -1.11 -2.94 116.25 116.39 1yia h VAL 237 Ca -0.00 -1.78 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 1yia h VAL 237 Cb 1.14 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1yia h VAL 237 CO 0.11 0.58 -0.15 0.24 0.02 0.00 0.00 177.57 178.37 1yia h MET 238 N 0.64 0.00 -0.51 1.57 2.86 -1.37 -1.62 114.93 116.50 1yia h MET 238 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1yia h MET 238 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1yia h MET 238 CO 0.13 0.15 0.00 0.41 1.06 0.00 0.00 176.91 178.66 1yia n GLY 239 N -1.03 1.70 3.72 8.32 0.00 -1.16 -4.93 105.19 111.81 1yia n GLY 239 Ca -0.02 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1yia n GLY 239 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1yia s MET 240 N -1.33 4.28 0.47 1.61 1.75 -0.61 -4.94 119.30 120.53 1yia s MET 240 Ca 0.40 2.20 -0.23 0.00 -1.25 0.00 0.00 55.69 56.81 1yia s MET 240 Cb 0.22 -3.20 -0.09 0.00 2.84 0.00 0.00 34.83 34.59 1yia s MET 240 CO 0.29 -0.50 0.94 0.98 -0.65 0.00 0.00 175.02 176.08 1yia n TYR 241 N 3.88 0.89 0.00 4.11 9.36 -0.75 -4.94 117.16 129.71 1yia n TYR 241 Ca 0.12 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.87 1yia n TYR 241 Cb 0.41 -2.18 0.00 0.00 -0.63 0.00 0.00 39.34 36.94 1yia n TYR 241 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1yia n THR 242 N -0.85 0.00 -3.42 2.97 -2.24 -1.26 -4.26 114.28 105.23 1yia n THR 242 Ca 0.10 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.75 1yia n THR 242 Cb 0.41 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 1yia n THR 242 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1yia s ASP 243 N 1.00 0.83 0.97 3.42 -1.08 -1.26 -4.35 116.67 116.21 1yia s ASP 243 Ca 0.00 -0.03 -0.12 0.00 -0.52 0.00 0.00 52.55 51.88 1yia s ASP 243 Cb 0.00 0.74 0.17 0.00 -1.46 0.00 0.00 42.92 42.38 1yia s ASP 243 CO 0.00 -0.32 1.11 -2.16 0.52 0.00 0.00 175.17 174.32 1yia s PRO 244 N 2.43 0.64 0.00 4.34 0.04 -1.26 -2.46 135.00 138.73 1yia s PRO 244 Ca 0.10 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1yia s PRO 244 Cb -0.16 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1yia s PRO 244 CO -0.15 -2.58 0.00 0.41 0.04 0.00 0.00 177.00 174.73 1yia n GLY 245 N -1.41 2.88 3.23 0.56 0.00 -1.26 -4.87 105.19 104.33 1yia n GLY 245 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1yia n GLY 245 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1yia s HIS 246 N -0.98 3.51 -0.20 1.61 5.04 -1.03 -4.90 115.29 118.34 1yia s HIS 246 Ca 0.00 -2.06 -0.09 0.00 -1.54 0.00 0.00 55.06 51.38 1yia s HIS 246 Cb 0.00 -3.56 -0.20 0.00 0.04 0.00 0.00 32.58 28.86 1yia s HIS 246 CO 0.00 -0.96 0.07 1.28 -2.34 0.00 0.00 174.74 172.79 1yia n LEU 247 N 4.31 2.46 -4.27 8.88 4.32 -1.26 -4.84 117.00 126.60 1yia n LEU 247 Ca 0.02 0.18 -0.26 0.00 -0.02 0.00 0.00 56.01 55.93 1yia n LEU 247 Cb 0.42 -0.99 -0.14 0.00 -1.62 0.00 0.00 43.42 41.09 1yia n LEU 247 CO 0.39 0.71 -0.53 0.00 -1.22 0.00 0.00 177.39 176.75 1yia s ARG 248 N -2.50 1.40 0.01 3.23 3.03 -1.26 -5.07 118.95 117.79 1yia s ARG 248 Ca -0.30 -0.99 -0.02 0.00 2.03 0.00 0.00 55.73 56.45 1yia s ARG 248 Cb 0.08 -1.55 -0.01 0.00 -1.03 0.00 0.00 34.95 32.45 1yia s ARG 248 CO 0.65 0.39 0.67 0.00 -1.13 0.00 0.00 175.30 175.88 1yia n ALA 249 N 1.73 -0.05 -0.05 7.88 0.00 -1.26 -2.33 120.51 126.43 1yia n ALA 249 Ca -0.17 0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1yia n ALA 249 Cb 0.53 0.26 -0.01 0.00 0.00 0.00 0.00 19.45 20.23 1yia n ALA 249 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yia n SER 250 N -2.90 -0.13 -4.06 0.00 3.41 -1.26 -4.53 113.62 104.14 1yia n SER 250 Ca 0.00 0.29 -0.37 0.00 -0.26 0.00 0.00 58.87 58.53 1yia n SER 250 Cb 0.02 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1yia n SER 250 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1yia n ASP 251 N -3.58 -5.44 -4.73 4.04 8.00 -0.98 -4.30 116.55 109.55 1yia n ASP 251 Ca 0.00 0.29 -0.40 0.00 0.71 0.00 0.00 54.79 55.40 1yia n ASP 251 Cb 0.03 -0.79 -0.05 0.00 -0.02 0.00 0.00 41.12 40.30 1yia n ASP 251 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1yia s PRO 252 N -1.80 4.43 0.42 -0.24 0.04 -1.25 -4.45 135.00 132.15 1yia s PRO 252 Ca 0.44 0.89 0.07 0.00 0.04 0.00 0.00 61.00 62.45 1yia s PRO 252 Cb -0.25 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 1yia s PRO 252 CO 0.79 0.17 0.26 0.20 0.04 0.00 0.00 177.00 178.46 1yia s GLY 253 N 0.42 2.27 -0.01 0.56 0.00 0.11 -4.86 107.32 105.81 1yia s GLY 253 Ca 0.36 -2.00 0.03 0.00 0.00 0.00 0.00 44.72 43.11 1yia s GLY 253 CO 0.19 -1.84 -0.10 1.09 0.00 0.00 0.00 173.10 172.44 1yia s ARG 254 N -4.00 0.86 0.26 2.90 1.04 -1.26 -3.47 118.95 115.29 1yia s ARG 254 Ca 0.43 -0.36 0.11 0.00 -1.04 0.00 0.00 55.73 54.88 1yia s ARG 254 Cb 0.01 -0.83 0.28 0.00 -2.04 0.00 0.00 34.95 32.37 1yia s ARG 254 CO 0.24 0.20 1.55 0.28 -0.04 0.00 0.00 175.30 177.54 1yia h VAL 255 N 4.98 1.38 -2.53 4.99 2.07 -1.92 -3.43 116.25 121.79 1yia h VAL 255 Ca -0.32 -2.30 -0.53 0.00 0.82 0.00 0.00 66.70 64.37 1yia h VAL 255 Cb 1.17 2.27 0.05 0.00 -1.52 0.00 0.00 31.29 33.26 1yia h VAL 255 CO 0.49 0.64 1.04 -1.84 0.02 0.00 0.00 177.57 177.92 1yia n GLU 256 N -3.64 2.72 -0.43 1.57 0.00 -1.26 -1.39 120.64 118.21 1yia n GLU 256 Ca -0.01 0.98 0.00 0.00 0.00 0.00 0.00 57.16 58.14 1yia n GLU 256 Cb 0.67 -2.85 0.00 0.00 0.00 0.00 0.00 31.44 29.26 1yia n GLU 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1yia n GLY 257 N 4.05 1.56 3.50 -1.84 0.00 -1.26 -5.01 105.19 106.20 1yia n GLY 257 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1yia n GLY 257 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yia s ASN 258 N -3.26 6.32 0.44 1.61 3.84 -0.49 -4.93 114.94 118.48 1yia s ASN 258 Ca 0.00 -0.46 0.19 0.00 0.21 0.00 0.00 52.86 52.80 1yia s ASN 258 Cb 0.00 -2.35 1.14 0.00 -0.55 0.00 0.00 41.25 39.49 1yia s ASN 258 CO 0.00 -0.93 1.90 1.55 -2.79 0.00 0.00 177.10 176.83 1yia h PRO 259 N 9.02 0.32 -0.87 0.43 0.13 -1.83 -2.44 132.00 136.76 1yia h PRO 259 Ca -0.26 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1yia h PRO 259 Cb 1.09 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 1yia h PRO 259 CO 0.97 0.21 0.56 -0.39 -0.23 0.00 0.00 178.00 179.12 1yia h VAL 260 N 0.33 1.23 -0.02 1.56 -1.51 -1.93 -0.48 116.25 115.43 1yia h VAL 260 Ca 0.40 -0.44 -0.21 0.00 -1.23 0.00 0.00 66.70 65.22 1yia h VAL 260 Cb 1.08 -0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 30.20 1yia h VAL 260 CO -0.12 0.23 -0.88 -0.26 -1.23 0.00 0.00 177.57 175.31 1yia h PHE 261 N 1.19 0.54 0.00 5.19 0.04 -1.79 0.13 116.94 122.24 1yia h PHE 261 Ca 0.32 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1yia h PHE 261 Cb -0.11 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 37.97 1yia h PHE 261 CO 0.00 1.08 0.00 -2.37 -0.60 0.00 0.00 178.31 176.42 1yia n THR 262 N -3.75 0.01 -0.11 -1.55 5.66 -0.95 -0.24 114.28 113.34 1yia n THR 262 Ca -0.06 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.74 1yia n THR 262 Cb 0.80 -0.54 -0.12 0.00 -1.55 0.00 0.00 70.33 68.92 1yia n THR 262 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1yia n PHE 263 N -1.02 0.21 0.01 1.09 3.01 -0.23 -3.90 117.46 116.62 1yia n PHE 263 Ca 0.21 0.05 -0.06 0.00 1.01 0.00 0.00 57.45 58.67 1yia n PHE 263 Cb 0.11 -1.03 0.14 0.00 -0.01 0.00 0.00 39.48 38.70 1yia n PHE 263 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1yia h LEU 264 N -0.15 0.54 -0.71 4.37 3.38 -0.41 -1.54 115.31 120.78 1yia h LEU 264 Ca -0.57 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1yia h LEU 264 Cb 1.87 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1yia h LEU 264 CO -0.11 0.85 0.00 0.47 0.09 0.00 0.00 178.44 179.74 1yia n ASP 265 N -4.06 0.32 0.00 -0.43 10.43 0.66 0.71 116.55 124.19 1yia n ASP 265 Ca -0.01 0.63 0.00 0.00 2.57 0.00 0.00 54.79 57.98 1yia n ASP 265 Cb 0.48 -0.68 0.00 0.00 1.84 0.00 0.00 41.12 42.76 1yia n ASP 265 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1yia n ALA 266 N -1.65 1.86 -0.02 2.24 0.00 -0.96 -4.75 120.51 117.22 1yia n ALA 266 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yia n ALA 266 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1yia n ALA 266 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1yia n PHE 267 N -1.15 0.00 -3.52 0.00 3.01 -0.62 -4.94 117.46 110.24 1yia n PHE 267 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 1yia n PHE 267 Cb 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.37 1yia n PHE 267 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1yia s ASP 268 N -0.74 6.06 0.58 4.37 2.15 0.22 -4.88 116.67 124.43 1yia s ASP 268 Ca 0.00 -0.51 0.36 0.00 0.43 0.00 0.00 52.55 52.83 1yia s ASP 268 Cb 0.00 -2.14 1.72 0.00 -0.30 0.00 0.00 42.92 42.20 1yia s ASP 268 CO 0.00 -0.27 2.12 1.55 -0.17 0.00 0.00 175.17 178.40 1yia h PRO 269 N 8.51 0.00 -3.53 4.34 0.13 -1.94 -3.39 132.00 136.12 1yia h PRO 269 Ca -0.31 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 64.06 1yia h PRO 269 Cb 1.15 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.98 1yia h PRO 269 CO 0.65 0.03 0.18 -0.51 -0.23 0.00 0.00 178.00 178.13 1yia s ASP 270 N -5.62 6.71 0.53 1.44 1.11 -1.26 -4.93 116.67 114.65 1yia s ASP 270 Ca -0.02 -3.46 0.24 0.00 0.18 0.00 0.00 52.55 49.50 1yia s ASP 270 Cb 0.11 -2.10 1.39 0.00 1.07 0.00 0.00 42.92 43.39 1yia s ASP 270 CO 0.51 -0.30 2.01 1.55 1.18 0.00 0.00 175.17 180.12 1yia h PRO 271 N 6.65 0.00 -0.32 8.23 0.13 -1.98 0.35 132.00 145.06 1yia h PRO 271 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 1yia h PRO 271 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1yia h PRO 271 CO 0.91 0.00 0.14 0.00 -0.23 0.00 0.00 178.00 178.82 1yia h ALA 272 N 1.76 0.42 -1.01 -0.56 0.00 -1.97 0.37 119.26 118.26 1yia h ALA 272 Ca 0.22 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1yia h ALA 272 Cb 0.90 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1yia h ALA 272 CO -0.00 -0.00 0.66 -0.09 0.00 0.00 0.00 179.25 179.82 1yia h ARG 273 N 0.37 1.26 0.64 0.00 2.43 -0.78 -1.96 114.38 116.35 1yia h ARG 273 Ca 0.11 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1yia h ARG 273 Cb 0.16 -0.28 0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1yia h ARG 273 CO -0.01 0.83 -0.31 0.28 -1.51 0.00 0.00 179.97 179.25 1yia h VAL 274 N 1.29 0.01 0.00 0.20 2.07 -0.32 -2.77 116.25 116.73 1yia h VAL 274 Ca 0.40 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1yia h VAL 274 Cb -0.03 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1yia h VAL 274 CO -0.12 0.00 0.20 1.67 0.02 0.00 0.00 177.57 179.34 1yia n GLN 275 N -5.35 0.05 0.09 1.57 -0.06 0.12 -1.66 117.38 112.15 1yia n GLN 275 Ca -0.11 0.47 -0.04 0.00 -2.00 0.00 0.00 57.00 55.32 1yia n GLN 275 Cb 0.34 -1.87 -0.02 0.00 -4.06 0.00 0.00 30.24 24.63 1yia n GLN 275 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1yia h ALA 276 N 1.37 -0.37 -0.88 1.69 0.00 -1.07 -3.02 119.26 116.98 1yia h ALA 276 Ca 0.00 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.03 1yia h ALA 276 Cb 0.39 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1yia h ALA 276 CO 0.00 -0.35 0.58 -0.07 0.00 0.00 0.00 179.25 179.41 1yia h LEU 277 N -0.80 0.48 -2.14 0.00 -0.00 -1.22 0.70 115.31 112.33 1yia h LEU 277 Ca -0.03 0.04 0.04 0.00 -0.00 0.00 0.00 57.88 57.93 1yia h LEU 277 Cb 0.22 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 1yia h LEU 277 CO 0.05 0.21 0.12 0.50 -0.00 0.00 0.00 178.44 179.32 1yia h LYS 278 N 0.49 0.00 0.03 1.13 3.64 -1.35 0.19 116.57 120.71 1yia h LYS 278 Ca 0.46 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1yia h LYS 278 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1yia h LYS 278 CO -0.19 0.00 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.54 1yia h ASP 279 N 0.00 -0.03 -0.97 4.20 3.45 0.54 -3.25 116.42 120.36 1yia h ASP 279 Ca 0.07 0.00 0.28 0.00 0.43 0.00 0.00 57.03 57.81 1yia h ASP 279 Cb 0.31 0.01 -0.14 0.00 -0.56 0.00 0.00 39.33 38.95 1yia h ASP 279 CO -0.00 0.22 0.50 1.56 -1.57 0.00 0.00 179.24 179.95 1yia h GLN 280 N -0.52 0.36 0.00 3.56 4.20 -1.30 0.97 115.11 122.37 1yia h GLN 280 Ca -0.00 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1yia h GLN 280 Cb 0.03 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1yia h GLN 280 CO 0.01 0.24 -0.14 -0.92 -0.67 0.00 0.00 178.83 177.34 1yia h TYR 281 N 0.37 0.00 0.00 2.96 3.20 -0.75 0.20 116.97 122.95 1yia h TYR 281 Ca 0.67 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 62.37 1yia h TYR 281 Cb 1.41 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.66 1yia h TYR 281 CO -0.07 0.14 -1.13 -0.09 -1.64 0.00 0.00 178.16 175.37 1yia h ARG 282 N 0.00 0.00 0.00 1.82 2.43 -0.87 0.32 114.38 118.08 1yia h ARG 282 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1yia h ARG 282 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1yia h ARG 282 CO 0.02 0.47 0.00 0.00 -1.51 0.00 0.00 179.97 178.94 1yia n ALA 283 N -2.36 0.00 0.00 2.80 0.00 -0.35 -4.25 120.51 116.35 1yia n ALA 283 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1yia n ALA 283 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1yia n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yia n GLY 284 N 2.53 -1.14 0.21 0.00 0.00 0.57 -3.77 105.19 103.58 1yia n GLY 284 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1yia n GLY 284 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yia n GLY 285 N 0.00 0.44 2.75 -0.02 0.00 -1.24 -4.70 105.19 102.42 1yia n GLY 285 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1yia n GLY 285 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yia s LEU 286 N 0.00 2.69 0.15 0.99 0.20 -1.26 -5.02 118.68 116.44 1yia s LEU 286 Ca 0.00 -2.11 -0.31 0.00 0.69 0.00 0.00 54.13 52.40 1yia s LEU 286 Cb 0.00 -1.02 -0.08 0.00 -0.43 0.00 0.00 46.19 44.66 1yia s LEU 286 CO 0.00 -0.35 1.39 -0.83 -0.29 0.00 0.00 176.35 176.27 1yia s GLY 287 N 1.01 2.09 0.56 7.98 0.00 -1.26 -4.78 107.32 112.92 1yia s GLY 287 Ca 0.13 1.15 0.39 0.00 0.00 0.00 0.00 44.72 46.40 1yia s GLY 287 CO -0.13 2.29 1.70 -0.55 0.00 0.00 0.00 173.10 176.41 1yia h ASP 288 N 6.28 0.00 0.48 1.64 3.32 -1.96 0.83 116.42 127.01 1yia h ASP 288 Ca -0.43 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 1yia h ASP 288 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1yia h ASP 288 CO 0.84 0.00 -0.23 0.58 -1.72 0.00 0.00 179.24 178.71 1yia h VAL 289 N 0.00 0.52 -0.77 -1.35 2.07 -1.98 0.37 116.25 115.10 1yia h VAL 289 Ca 0.64 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 68.15 1yia h VAL 289 Cb 2.70 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 32.97 1yia h VAL 289 CO -0.01 0.03 0.36 0.50 0.02 0.00 0.00 177.57 178.47 1yia h LYS 290 N -0.73 0.54 0.46 1.57 3.11 0.26 1.15 116.57 122.93 1yia h LYS 290 Ca -0.07 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.72 1yia h LYS 290 Cb 0.54 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1yia h LYS 290 CO 0.11 0.36 -0.22 0.28 -2.81 0.00 0.00 179.45 177.17 1yia h VAL 291 N 0.56 0.55 0.35 2.00 2.07 -0.50 -1.78 116.25 119.49 1yia h VAL 291 Ca 0.41 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.88 1yia h VAL 291 Cb 0.55 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1yia h VAL 291 CO -0.34 0.01 -0.45 0.11 0.02 0.00 0.00 177.57 176.92 1yia h LYS 292 N -0.64 -0.81 -0.98 1.57 1.57 0.14 -1.71 116.57 115.71 1yia h LYS 292 Ca -0.06 0.06 0.20 0.00 -1.87 0.00 0.00 60.65 58.97 1yia h LYS 292 Cb 0.48 0.18 -0.19 0.00 0.08 0.00 0.00 32.23 32.79 1yia h LYS 292 CO 0.10 -0.54 -0.23 0.87 -0.57 0.00 0.00 179.45 179.09 1yia h LYS 293 N -0.84 0.00 0.44 3.15 1.57 0.14 0.33 116.57 121.36 1yia h LYS 293 Ca -0.03 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1yia h LYS 293 Cb 0.77 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1yia h LYS 293 CO -0.12 0.00 -0.22 1.25 -0.57 0.00 0.00 179.45 179.78 1yia h HIS 294 N 0.00 -0.58 -0.99 -1.35 2.76 -0.79 -2.94 115.15 111.25 1yia h HIS 294 Ca 0.48 -0.01 0.33 0.00 -2.20 0.00 0.00 60.37 58.97 1yia h HIS 294 Cb 0.75 0.20 -0.15 0.00 1.55 0.00 0.00 27.41 29.75 1yia h HIS 294 CO -0.74 -0.35 0.53 1.25 -1.30 0.00 0.00 177.93 177.31 1yia h LEU 295 N -0.61 0.42 -1.16 0.26 6.46 0.04 0.43 115.31 121.16 1yia h LEU 295 Ca -0.06 0.20 0.10 0.00 -0.12 0.00 0.00 57.88 58.00 1yia h LEU 295 Cb 0.47 0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 40.51 1yia h LEU 295 CO 0.09 -0.19 0.59 0.16 -0.62 0.00 0.00 178.44 178.47 1yia h ILE 296 N 0.26 0.96 0.02 4.05 -0.00 -0.29 0.11 117.51 122.62 1yia h ILE 296 Ca 0.74 -0.31 -0.21 0.00 -0.00 0.00 0.00 64.86 65.07 1yia h ILE 296 Cb 1.71 -0.03 -0.02 0.00 -0.00 0.00 0.00 36.82 38.48 1yia h ILE 296 CO -0.64 0.17 -1.00 0.44 -0.00 0.00 0.00 178.15 177.11 1yia h ASP 297 N 0.92 0.10 0.38 2.16 5.19 -0.14 -1.18 116.42 123.85 1yia h ASP 297 Ca 0.43 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 1yia h ASP 297 Cb 0.41 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1yia h ASP 297 CO -0.19 1.04 0.00 1.62 -3.12 0.00 0.00 179.24 178.59 1yia h VAL 298 N 0.02 0.00 0.10 -1.35 3.04 -0.00 0.31 116.25 118.37 1yia h VAL 298 Ca -0.04 -0.15 -0.35 0.00 -1.01 0.00 0.00 66.70 65.15 1yia h VAL 298 Cb 1.73 0.90 -0.02 0.00 -2.01 0.00 0.00 31.29 31.89 1yia h VAL 298 CO 0.14 0.00 -1.94 0.18 -1.01 0.00 0.00 177.57 174.94 1yia n LEU 299 N -2.57 2.55 0.15 3.16 4.77 -0.37 -2.97 117.00 121.72 1yia n LEU 299 Ca -0.00 0.22 0.06 0.00 -0.03 0.00 0.00 56.01 56.26 1yia n LEU 299 Cb 0.14 -1.09 0.54 0.00 -2.33 0.00 0.00 43.42 40.68 1yia n LEU 299 CO 0.18 0.78 1.09 0.78 -1.33 0.00 0.00 177.39 178.89 1yia h ASN 300 N -0.08 0.20 -0.06 -1.43 2.35 0.10 0.27 115.58 116.92 1yia h ASN 300 Ca -0.43 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.29 1yia h ASN 300 Cb 1.93 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 40.25 1yia h ASN 300 CO 0.03 0.16 -0.05 1.23 -1.65 0.00 0.00 177.43 177.15 1yia h GLY 301 N 0.27 0.15 2.00 2.83 0.00 -0.56 0.83 103.07 108.59 1yia h GLY 301 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1yia h GLY 301 CO -0.01 0.13 -0.06 -0.24 0.00 0.00 0.00 176.54 176.36 1yia h VAL 302 N -0.29 0.17 0.00 4.60 3.04 -1.30 -3.16 116.25 119.31 1yia h VAL 302 Ca 0.01 -0.64 -0.05 0.00 -1.01 0.00 0.00 66.70 65.02 1yia h VAL 302 Cb 0.54 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 1yia h VAL 302 CO 0.01 0.06 -1.68 0.18 -1.01 0.00 0.00 177.57 175.13 1yia n LEU 303 N -3.20 0.34 -0.29 3.16 4.77 0.89 -4.62 117.00 118.04 1yia n LEU 303 Ca 0.00 0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 1yia n LEU 303 Cb 0.32 0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 1yia n LEU 303 CO 0.29 0.00 0.49 0.00 -1.33 0.00 0.00 177.39 176.83 1yia h ALA 304 N 1.86 -0.58 -0.51 -1.18 0.00 0.72 -1.67 119.26 117.89 1yia h ALA 304 Ca -0.06 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1yia h ALA 304 Cb 1.16 1.26 -0.04 0.00 0.00 0.00 0.00 17.79 20.17 1yia h ALA 304 CO 0.01 -0.91 0.27 -1.00 0.00 0.00 0.00 179.25 177.61 1yia h PRO 305 N -0.12 0.51 -0.85 0.00 0.13 -1.82 -2.19 132.00 127.66 1yia h PRO 305 Ca 0.12 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 65.36 1yia h PRO 305 Cb 0.43 -0.11 -0.09 0.00 0.13 0.00 0.00 31.00 31.35 1yia h PRO 305 CO -0.75 0.34 0.44 0.82 -0.23 0.00 0.00 178.00 178.62 1yia h ILE 306 N 0.52 0.74 -0.34 -3.56 2.04 -1.58 0.13 117.51 115.46 1yia h ILE 306 Ca 0.22 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1yia h ILE 306 Cb 0.12 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1yia h ILE 306 CO -0.15 0.12 0.22 0.03 0.00 0.00 0.00 178.15 178.37 1yia h ARG 307 N 0.63 0.45 -0.42 2.37 3.08 -0.68 -1.05 114.38 118.76 1yia h ARG 307 Ca 0.46 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.39 1yia h ARG 307 Cb 0.64 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1yia h ARG 307 CO -0.36 0.31 -0.12 1.79 -1.07 0.00 0.00 179.97 180.52 1yia h THR 308 N 0.46 1.26 -0.43 2.04 1.35 -1.07 -2.67 112.91 113.84 1yia h THR 308 Ca 0.12 -1.16 -0.09 0.00 -0.55 0.00 0.00 66.41 64.73 1yia h THR 308 Cb -0.04 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.42 1yia h THR 308 CO -0.03 0.40 -0.10 -0.09 -0.25 0.00 0.00 175.52 175.45 1yia h ARG 309 N 0.68 0.77 -0.42 4.72 2.43 -0.50 -2.91 114.38 119.15 1yia h ARG 309 Ca 0.12 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 58.94 1yia h ARG 309 Cb 0.59 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1yia h ARG 309 CO 0.04 0.84 -0.10 -0.09 -1.51 0.00 0.00 179.97 179.15 1yia h ARG 310 N 0.70 0.80 -0.08 0.20 2.43 -0.96 -2.92 114.38 114.54 1yia h ARG 310 Ca 0.12 -0.31 0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1yia h ARG 310 Cb 0.58 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1yia h ARG 310 CO 0.04 0.92 -0.19 0.00 -1.51 0.00 0.00 179.97 179.23 1yia h ALA 311 N 0.85 -0.17 -0.38 2.80 0.00 -1.36 1.04 119.26 122.04 1yia h ALA 311 Ca 0.11 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1yia h ALA 311 Cb 0.63 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 1yia h ALA 311 CO 0.04 -0.66 -0.41 0.93 0.00 0.00 0.00 179.25 179.15 1yia h GLU 312 N -0.26 -0.32 -0.22 0.00 5.08 -1.44 0.10 114.58 117.51 1yia h GLU 312 Ca 0.08 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1yia h GLU 312 Cb 0.38 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1yia h GLU 312 CO -0.23 -0.21 -0.22 1.88 -1.00 0.00 0.00 179.01 179.23 1yia h TYR 313 N -0.33 0.45 0.00 4.33 -1.99 -1.25 -1.30 116.97 116.87 1yia h TYR 313 Ca 0.14 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 1yia h TYR 313 Cb 0.58 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 1yia h TYR 313 CO -0.60 0.61 -0.01 0.93 -0.00 0.00 0.00 178.16 179.08 1yia h GLU 314 N 0.37 0.00 -0.01 4.88 5.08 0.35 -0.50 114.58 124.74 1yia h GLU 314 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1yia h GLU 314 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1yia h GLU 314 CO 0.04 0.01 -0.31 -2.13 -1.00 0.00 0.00 179.01 175.62 1yia n ARG 315 N -3.26 1.24 -2.64 2.33 0.63 -0.24 -4.26 116.66 110.46 1yia n ARG 315 Ca -0.02 -0.92 -0.15 0.00 -0.92 0.00 0.00 57.85 55.84 1yia n ARG 315 Cb 0.12 -1.48 0.02 0.00 0.45 0.00 0.00 32.46 31.56 1yia n ARG 315 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1yia n ASP 316 N -0.08 2.41 -0.36 6.15 2.03 -0.23 -4.92 116.55 121.56 1yia n ASP 316 Ca 0.12 -3.03 0.30 0.00 0.52 0.00 0.00 54.79 52.69 1yia n ASP 316 Cb 0.43 -0.51 0.60 0.00 -0.72 0.00 0.00 41.12 40.92 1yia n ASP 316 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1yia h PRO 317 N 2.88 0.22 -0.77 -0.67 0.13 -1.66 0.77 132.00 132.89 1yia h PRO 317 Ca 0.03 -0.01 0.19 0.00 -0.87 0.00 0.00 66.00 65.34 1yia h PRO 317 Cb 1.08 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.12 1yia h PRO 317 CO 0.61 0.14 0.53 0.38 -0.23 0.00 0.00 178.00 179.43 1yia h ASP 318 N 0.23 0.21 0.07 1.44 2.03 -1.91 0.70 116.42 119.18 1yia h ASP 318 Ca 0.65 0.02 -0.19 0.00 -0.73 0.00 0.00 57.03 56.78 1yia h ASP 318 Cb 1.99 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 40.46 1yia h ASP 318 CO -0.26 0.10 -0.71 0.00 -1.03 0.00 0.00 179.24 177.33 1yia h ALA 319 N 1.64 0.51 -0.35 4.15 0.00 0.22 -1.72 119.26 123.70 1yia h ALA 319 Ca 0.38 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1yia h ALA 319 Cb 1.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1yia h ALA 319 CO -0.08 0.72 0.05 0.28 0.00 0.00 0.00 179.25 180.22 1yia h VAL 320 N 0.40 1.24 -0.96 0.00 2.07 -0.89 -0.95 116.25 117.16 1yia h VAL 320 Ca -0.03 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.65 1yia h VAL 320 Cb 1.30 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 1yia h VAL 320 CO 0.13 0.29 0.63 0.25 0.02 0.00 0.00 177.57 178.89 1yia h LEU 321 N 0.42 1.08 -0.19 2.57 5.85 -1.41 -1.79 115.31 121.85 1yia h LEU 321 Ca 0.11 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1yia h LEU 321 Cb 0.37 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1yia h LEU 321 CO 0.01 0.77 0.09 -0.09 -0.34 0.00 0.00 178.44 178.88 1yia h ARG 322 N 1.27 0.20 -0.69 1.25 9.65 -0.92 0.19 114.38 125.33 1yia h ARG 322 Ca 0.36 -0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.35 1yia h ARG 322 Cb -0.09 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.36 1yia h ARG 322 CO -0.09 0.13 0.27 0.35 2.80 0.00 0.00 179.97 183.42 1yia h PHE 323 N 0.20 0.46 0.10 2.20 -0.00 -0.36 0.11 116.94 119.66 1yia h PHE 323 Ca 0.08 0.03 -0.00 0.00 -0.00 0.00 0.00 57.97 58.07 1yia h PHE 323 Cb 0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 35.95 35.86 1yia h PHE 323 CO -0.09 0.09 -0.05 0.28 -0.00 0.00 0.00 178.31 178.54 1yia h VAL 324 N 0.44 1.11 -0.01 1.41 2.07 -1.00 -2.83 116.25 117.44 1yia h VAL 324 Ca 0.37 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1yia h VAL 324 Cb 0.50 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1yia h VAL 324 CO -0.36 0.27 0.01 0.71 0.02 0.00 0.00 177.57 178.22 1yia h THR 325 N -0.73 1.01 -0.39 2.57 1.35 -0.34 -0.02 112.91 116.36 1yia h THR 325 Ca -0.01 -0.02 -0.02 0.00 -0.55 0.00 0.00 66.41 65.81 1yia h THR 325 Cb 0.55 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 1yia h THR 325 CO 0.02 0.01 0.16 -0.33 -0.25 0.00 0.00 175.52 175.13 1yia h GLU 326 N 0.01 0.58 0.05 4.72 5.08 -0.92 -1.99 114.58 122.11 1yia h GLU 326 Ca 0.00 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1yia h GLU 326 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1yia h GLU 326 CO -0.00 0.54 -0.03 0.78 -1.00 0.00 0.00 179.01 179.31 1yia h GLY 327 N 0.49 -0.08 0.64 -3.84 0.00 -1.45 -1.55 103.07 97.27 1yia h GLY 327 Ca 0.13 0.03 0.12 0.00 0.00 0.00 0.00 47.33 47.61 1yia h GLY 327 CO -0.01 -0.03 0.57 -0.84 0.00 0.00 0.00 176.54 176.23 1yia h THR 328 N -0.09 0.91 0.35 4.70 2.02 0.38 0.19 112.91 121.36 1yia h THR 328 Ca -0.01 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1yia h THR 328 Cb 0.07 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1yia h THR 328 CO 0.01 0.15 -0.17 0.00 0.37 0.00 0.00 175.52 175.88 1yia h ALA 329 N 1.58 -0.46 -0.68 6.16 0.00 -0.85 -1.41 119.26 123.59 1yia h ALA 329 Ca 0.43 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.31 1yia h ALA 329 Cb 0.54 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 1yia h ALA 329 CO -0.19 -0.67 0.23 -0.09 0.00 0.00 0.00 179.25 178.53 1yia h ARG 330 N -0.66 0.37 -0.73 0.00 2.43 -0.20 -0.73 114.38 114.87 1yia h ARG 330 Ca -0.05 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1yia h ARG 330 Cb 0.47 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1yia h ARG 330 CO 0.08 0.24 0.22 0.78 -1.51 0.00 0.00 179.97 179.78 1yia h GLY 331 N 0.38 1.22 1.18 2.80 0.00 -0.56 -1.49 103.07 106.61 1yia h GLY 331 Ca 0.36 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1yia h GLY 331 CO -0.39 0.69 0.21 -0.09 0.00 0.00 0.00 176.54 176.95 1yia h ARG 332 N 1.08 1.03 -0.60 4.80 2.43 -0.50 -0.27 114.38 122.35 1yia h ARG 332 Ca 0.23 -0.21 0.12 0.00 -0.81 0.00 0.00 59.98 59.32 1yia h ARG 332 Cb 0.32 -0.15 -0.11 0.00 -0.42 0.00 0.00 29.97 29.61 1yia h ARG 332 CO -0.01 0.88 -0.06 1.49 -1.51 0.00 0.00 179.97 180.76 1yia h GLU 333 N 0.99 0.06 -0.47 0.20 4.57 -0.12 0.28 114.58 120.09 1yia h GLU 333 Ca 0.22 -0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.28 1yia h GLU 333 Cb 0.28 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1yia h GLU 333 CO -0.01 0.04 -0.16 0.28 -1.18 0.00 0.00 179.01 177.99 1yia h VAL 334 N 0.06 1.27 -0.29 0.32 2.07 -0.82 -2.67 116.25 116.20 1yia h VAL 334 Ca 0.30 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1yia h VAL 334 Cb 0.48 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1yia h VAL 334 CO -0.56 0.45 0.12 0.00 0.02 0.00 0.00 177.57 177.60 1yia h ALA 335 N 0.87 0.38 -0.66 1.67 0.00 0.12 -2.58 119.26 119.06 1yia h ALA 335 Ca 0.11 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1yia h ALA 335 Cb 0.72 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1yia h ALA 335 CO 0.05 -0.03 0.44 0.00 0.00 0.00 0.00 179.25 179.71 1yia h ALA 336 N 0.96 1.94 -0.43 0.00 0.00 -0.37 -0.81 119.26 120.55 1yia h ALA 336 Ca 0.10 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1yia h ALA 336 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1yia h ALA 336 CO -0.01 -0.09 -0.28 1.96 0.00 0.00 0.00 179.25 180.84 1yia h GLN 337 N 0.50 0.95 -0.17 0.00 4.20 -1.12 -2.80 115.11 116.67 1yia h GLN 337 Ca 0.30 -0.45 -0.16 0.00 0.06 0.00 0.00 58.65 58.40 1yia h GLN 337 Cb 0.52 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.29 1yia h GLN 337 CO -0.09 1.11 -0.54 1.15 -0.67 0.00 0.00 178.83 179.78 1yia h THR 338 N 0.78 1.32 -0.83 -0.54 2.02 -0.93 -3.04 112.91 111.69 1yia h THR 338 Ca 0.09 -1.79 -0.01 0.00 0.77 0.00 0.00 66.41 65.47 1yia h THR 338 Cb 0.86 1.98 -0.04 0.00 -1.74 0.00 0.00 68.15 69.21 1yia h THR 338 CO 0.08 0.55 0.47 -0.07 0.37 0.00 0.00 175.52 176.93 1yia h LEU 339 N 0.34 1.01 -1.03 2.58 -0.00 -1.23 0.38 115.31 117.36 1yia h LEU 339 Ca -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1yia h LEU 339 Cb 1.16 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 41.52 1yia h LEU 339 CO 0.11 0.80 0.60 1.23 -0.00 0.00 0.00 178.44 181.19 1yia h GLY 340 N 1.17 1.34 0.70 0.83 0.00 -1.50 1.26 103.07 106.88 1yia h GLY 340 Ca 0.30 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1yia h GLY 340 CO -0.05 0.51 -0.00 1.46 0.00 0.00 0.00 176.54 178.46 1yia h GLN 341 N 1.29 0.08 -0.24 4.80 1.08 -1.14 -2.48 115.11 118.51 1yia h GLN 341 Ca 0.34 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.55 1yia h GLN 341 Cb -0.11 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 1yia h GLN 341 CO -0.07 0.39 0.04 0.28 -0.95 0.00 0.00 178.83 178.52 1yia h VAL 342 N -0.23 0.89 -0.23 -0.54 2.07 0.73 0.20 116.25 119.13 1yia h VAL 342 Ca 0.01 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1yia h VAL 342 Cb 0.35 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1yia h VAL 342 CO 0.00 0.02 0.16 0.03 0.02 0.00 0.00 177.57 177.81 1yia h ARG 343 N 0.14 0.15 0.00 1.57 3.08 0.16 -0.54 114.38 118.94 1yia h ARG 343 Ca 0.11 -0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.90 1yia h ARG 343 Cb 0.11 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1yia h ARG 343 CO -0.15 0.10 -1.38 0.07 -1.07 0.00 0.00 179.97 177.54 1yia h ARG 344 N 0.15 0.00 -0.00 0.04 0.11 -1.00 -2.55 114.38 111.13 1yia h ARG 344 Ca 0.10 -0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.08 1yia h ARG 344 Cb 0.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 1yia h ARG 344 CO -0.02 0.73 -0.43 0.00 0.10 0.00 0.00 179.97 180.35 1yia h ALA 345 N 0.99 1.28 -0.02 0.08 0.00 0.04 -2.19 119.26 119.44 1yia h ALA 345 Ca -0.16 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1yia h ALA 345 Cb 1.90 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1yia h ALA 345 CO 0.10 0.54 0.00 -1.33 0.00 0.00 0.00 179.25 178.57 1yia n MET 346 N -4.03 1.46 -3.76 0.00 2.81 -0.31 -4.29 117.12 109.01 1yia n MET 346 Ca -0.02 -0.66 -0.26 0.00 -1.81 0.00 0.00 57.70 54.95 1yia n MET 346 Cb 0.46 -1.47 0.04 0.00 -0.71 0.00 0.00 33.22 31.54 1yia n MET 346 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1yia n ARG 347 N -0.18 -5.89 -2.34 0.03 3.00 -0.83 -4.91 116.66 105.54 1yia n ARG 347 Ca 0.20 0.67 -0.41 0.00 -0.01 0.00 0.00 57.85 58.30 1yia n ARG 347 Cb 0.27 -5.50 -0.03 0.00 0.00 0.00 0.00 32.46 27.19 1yia n ARG 347 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1yia s LEU 348 N -7.05 4.48 0.05 0.55 1.43 -0.96 -4.86 118.68 112.31 1yia s LEU 348 Ca 0.41 2.36 -0.37 0.00 -1.03 0.00 0.00 54.13 55.49 1yia s LEU 348 Cb -0.20 -3.62 -0.19 0.00 0.03 0.00 0.00 46.19 42.21 1yia s LEU 348 CO 0.80 -0.34 1.05 0.33 0.23 0.00 0.00 176.35 178.41 1yia n PHE 349 N 1.75 0.68 -0.24 0.29 -0.00 -1.26 -1.80 117.46 116.88 1yia n PHE 349 Ca 0.02 0.95 0.00 0.00 -0.00 0.00 0.00 57.45 58.42 1yia n PHE 349 Cb 0.44 -2.13 0.00 0.00 -0.00 0.00 0.00 39.48 37.79 1yia n PHE 349 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yia n GLY 350 N 1.76 0.69 0.00 7.13 0.00 -1.26 -5.15 105.19 108.36 1yia n GLY 350 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1yia n GLY 350 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74