#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrr s LEU 2 N 0.00 4.25 -0.70 -0.89 2.96 -0.50 -4.86 118.68 118.93 2yrr s LEU 2 Ca 0.00 1.82 -0.21 0.00 -0.22 0.00 0.00 54.13 55.52 2yrr s LEU 2 Cb 0.00 -3.55 0.09 0.00 0.50 0.00 0.00 46.19 43.23 2yrr s LEU 2 CO 0.00 -0.69 0.94 -0.22 -1.32 0.00 0.00 176.35 175.06 2yrr s LEU 3 N 2.84 4.71 -0.18 -0.68 0.20 -1.26 -0.18 118.68 124.12 2yrr s LEU 3 Ca 0.57 -1.27 0.16 0.00 0.69 0.00 0.00 54.13 54.28 2yrr s LEU 3 Cb -0.25 -2.39 0.46 0.00 -0.43 0.00 0.00 46.19 43.58 2yrr s LEU 3 CO 0.20 -1.31 1.35 0.18 -0.29 0.00 0.00 176.35 176.48 2yrr n LEU 4 N 7.22 3.47 -4.79 -0.68 4.77 0.13 -4.22 117.00 122.91 2yrr n LEU 4 Ca 0.00 -3.15 -0.35 0.00 -0.03 0.00 0.00 56.01 52.48 2yrr n LEU 4 Cb 0.45 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2yrr n LEU 4 CO 0.60 0.77 0.75 0.42 -1.33 0.00 0.00 177.39 178.60 2yrr s THR 5 N -2.90 3.56 -0.51 -5.08 -4.23 -1.08 -0.25 115.64 105.15 2yrr s THR 5 Ca 0.40 1.06 -0.06 0.00 -1.18 0.00 0.00 61.69 61.91 2yrr s THR 5 Cb 0.33 -3.48 -0.15 0.00 1.34 0.00 0.00 72.50 70.54 2yrr s THR 5 CO 0.06 -0.12 2.77 -0.81 -0.54 0.00 0.00 174.62 175.98 2yrr n PRO 6 N -0.70 2.08 0.00 3.99 -0.04 -1.26 -4.23 135.00 134.84 2yrr n PRO 6 Ca 0.08 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 2yrr n PRO 6 Cb 0.51 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 2yrr n PRO 6 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yrr n GLY 7 N 3.04 2.12 3.57 0.55 0.00 -1.26 -4.98 105.19 108.23 2yrr n GLY 7 Ca 0.45 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 2yrr n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrr s PRO 8 N -3.94 -0.80 0.29 1.61 0.04 -1.26 -5.07 135.00 125.87 2yrr s PRO 8 Ca 0.00 0.30 0.05 0.00 0.04 0.00 0.00 61.00 61.39 2yrr s PRO 8 Cb 0.00 -1.61 -0.06 0.00 0.04 0.00 0.00 34.50 32.87 2yrr s PRO 8 CO 0.00 -3.51 -0.01 0.95 0.04 0.00 0.00 177.00 174.47 2yrr s THR 9 N -2.83 1.44 0.29 1.26 -4.23 -0.95 -4.30 115.64 106.32 2yrr s THR 9 Ca 0.68 -2.07 -0.30 0.00 -1.18 0.00 0.00 61.69 58.83 2yrr s THR 9 Cb -0.16 -2.56 -0.11 0.00 1.34 0.00 0.00 72.50 71.01 2yrr s THR 9 CO 0.58 -0.20 1.59 -2.84 -0.54 0.00 0.00 174.62 173.21 2yrr s PRO 10 N -3.79 4.12 -0.27 3.99 0.02 -1.26 -4.86 135.00 132.95 2yrr s PRO 10 Ca 0.32 2.57 -0.12 0.00 0.02 0.00 0.00 61.00 63.80 2yrr s PRO 10 Cb 0.06 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.51 2yrr s PRO 10 CO 0.13 -0.63 0.21 0.42 -0.33 0.00 0.00 177.00 176.80 2yrr s ILE 11 N -0.01 5.30 0.52 2.83 1.01 -1.26 -4.41 121.20 125.17 2yrr s ILE 11 Ca 0.63 0.23 -0.22 0.00 0.00 0.00 0.00 60.65 61.29 2yrr s ILE 11 Cb -0.48 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 2yrr s ILE 11 CO 0.48 0.25 1.30 -2.16 0.00 0.00 0.00 174.94 174.80 2yrr s PRO 12 N 1.74 3.32 0.24 2.79 0.04 -1.26 -4.74 135.00 137.13 2yrr s PRO 12 Ca 0.08 2.09 -0.07 0.00 0.04 0.00 0.00 61.00 63.14 2yrr s PRO 12 Cb -0.16 -2.30 0.41 0.00 0.04 0.00 0.00 34.50 32.50 2yrr s PRO 12 CO 0.10 -1.00 1.66 0.93 0.04 0.00 0.00 177.00 178.73 2yrr h GLU 13 N 1.63 0.15 -0.98 4.56 5.08 -1.99 0.33 114.58 123.36 2yrr h GLU 13 Ca -0.50 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.04 2yrr h GLU 13 Cb 1.28 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 2yrr h GLU 13 CO 0.58 0.10 0.61 -0.09 -1.00 0.00 0.00 179.01 179.21 2yrr h ARG 14 N 0.15 0.63 0.03 2.33 2.43 -1.99 0.17 114.38 118.14 2yrr h ARG 14 Ca 0.39 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.42 2yrr h ARG 14 Cb 0.68 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2yrr h ARG 14 CO -0.58 0.42 -0.42 0.28 -1.51 0.00 0.00 179.97 178.16 2yrr h VAL 15 N 0.65 1.54 -0.29 0.20 2.07 -1.31 -3.20 116.25 115.92 2yrr h VAL 15 Ca 0.55 -2.15 -0.08 0.00 0.82 0.00 0.00 66.70 65.83 2yrr h VAL 15 Cb 1.00 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.65 2yrr h VAL 15 CO -0.31 0.60 -0.15 -0.61 0.02 0.00 0.00 177.57 177.11 2yrr h GLN 16 N -0.45 0.50 0.00 1.57 4.15 -0.87 -2.16 115.11 117.85 2yrr h GLN 16 Ca -0.06 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 2yrr h GLN 16 Cb 1.21 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 2yrr h GLN 16 CO 0.08 0.64 -0.08 0.87 -1.93 0.00 0.00 178.83 178.40 2yrr h LYS 17 N 0.45 0.00 0.00 1.69 1.57 -0.77 -1.82 116.57 117.70 2yrr h LYS 17 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2yrr h LYS 17 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 2yrr h LYS 17 CO 0.03 0.08 -0.02 0.00 -0.57 0.00 0.00 179.45 178.97 2yrr h ALA 18 N 1.92 1.08 0.00 3.86 0.00 -1.38 -0.92 119.26 123.82 2yrr h ALA 18 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2yrr h ALA 18 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2yrr h ALA 18 CO 0.01 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.57 2yrr n LEU 19 N -3.23 0.01 -0.36 0.00 4.77 -0.69 -2.67 117.00 114.85 2yrr n LEU 19 Ca -0.02 0.50 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 2yrr n LEU 19 Cb 0.18 -0.50 0.34 0.00 -2.33 0.00 0.00 43.42 41.11 2yrr n LEU 19 CO 0.25 -0.18 0.65 0.18 -1.33 0.00 0.00 177.39 176.96 2yrr n LEU 20 N -1.52 1.35 -4.77 2.23 4.77 -0.35 -4.95 117.00 113.77 2yrr n LEU 20 Ca 0.05 -0.41 -0.35 0.00 -0.03 0.00 0.00 56.01 55.26 2yrr n LEU 20 Cb 0.22 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2yrr n LEU 20 CO 0.18 0.24 0.79 -0.13 -1.33 0.00 0.00 177.39 177.14 2yrr s ARG 21 N -2.37 3.18 -0.10 3.23 0.52 -1.09 -4.89 118.95 117.42 2yrr s ARG 21 Ca 0.26 1.63 -0.40 0.00 -0.52 0.00 0.00 55.73 56.70 2yrr s ARG 21 Cb 0.19 -1.98 -0.18 0.00 0.52 0.00 0.00 34.95 33.51 2yrr s ARG 21 CO 0.48 -1.00 1.38 -2.30 0.02 0.00 0.00 175.30 173.88 2yrr n PRO 22 N -1.54 0.61 -2.14 3.54 -0.02 -1.26 -4.90 135.00 129.28 2yrr n PRO 22 Ca 0.12 0.22 -0.40 0.00 -2.02 0.00 0.00 63.50 61.42 2yrr n PRO 22 Cb 0.51 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 32.17 2yrr n PRO 22 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2yrr s MET 23 N 1.32 4.18 0.14 -0.52 1.75 -1.26 -5.03 119.30 119.88 2yrr s MET 23 Ca 0.92 2.11 0.01 0.00 -1.25 0.00 0.00 55.69 57.48 2yrr s MET 23 Cb -1.16 -2.90 -0.04 0.00 2.84 0.00 0.00 34.83 33.56 2yrr s MET 23 CO 0.59 -0.30 0.01 1.03 -0.65 0.00 0.00 175.02 175.71 2yrr s ARG 24 N -2.01 0.97 0.62 4.11 0.52 -1.26 -5.14 118.95 116.75 2yrr s ARG 24 Ca 0.53 -1.45 -0.17 0.00 -0.52 0.00 0.00 55.73 54.11 2yrr s ARG 24 Cb -0.37 -0.05 -0.02 0.00 0.52 0.00 0.00 34.95 35.02 2yrr s ARG 24 CO 0.48 -0.16 1.14 0.20 0.02 0.00 0.00 175.30 176.99 2yrr s GLY 25 N -3.10 2.44 0.33 -3.53 0.00 -1.26 -4.90 107.32 97.30 2yrr s GLY 25 Ca 0.21 0.76 0.26 0.00 0.00 0.00 0.00 44.72 45.94 2yrr s GLY 25 CO 0.01 1.12 1.77 1.12 0.00 0.00 0.00 173.10 177.13 2yrr h HIS 26 N 0.53 0.00 -0.23 1.90 2.07 -1.98 -2.09 115.15 115.36 2yrr h HIS 26 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2yrr h HIS 26 Cb 1.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 2yrr h HIS 26 CO 0.51 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.65 2yrr n LEU 27 N -2.40 2.68 -4.70 6.12 4.77 -1.26 -4.59 117.00 117.61 2yrr n LEU 27 Ca 0.01 -1.49 -0.43 0.00 -0.03 0.00 0.00 56.01 54.07 2yrr n LEU 27 Cb 0.19 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2yrr n LEU 27 CO 0.19 0.59 1.39 -0.67 -1.33 0.00 0.00 177.39 177.56 2yrr n ASP 28 N 0.81 3.89 -0.31 -1.43 -0.08 -0.79 -4.79 116.55 113.85 2yrr n ASP 28 Ca 0.12 1.04 0.31 0.00 -1.51 0.00 0.00 54.79 54.74 2yrr n ASP 28 Cb 0.42 -1.54 0.67 0.00 2.34 0.00 0.00 41.12 43.01 2yrr n ASP 28 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2yrr h PRO 29 N 7.34 0.12 -0.47 -0.67 0.11 -1.94 0.26 132.00 136.75 2yrr h PRO 29 Ca -0.45 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 2yrr h PRO 29 Cb 1.22 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2yrr h PRO 29 CO 0.95 0.08 -0.08 0.93 -0.21 0.00 0.00 178.00 179.67 2yrr h GLU 30 N 0.13 0.84 -0.14 1.05 4.39 -1.94 -1.40 114.58 117.50 2yrr h GLU 30 Ca 0.57 -0.27 -0.16 0.00 0.34 0.00 0.00 59.36 59.84 2yrr h GLU 30 Cb 1.99 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 30.57 2yrr h GLU 30 CO -0.11 0.89 -0.53 0.28 -1.16 0.00 0.00 179.01 178.38 2yrr h VAL 31 N 0.76 1.34 -0.74 3.13 2.07 -0.84 -2.24 116.25 119.73 2yrr h VAL 31 Ca 0.13 -1.80 0.11 0.00 0.82 0.00 0.00 66.70 65.96 2yrr h VAL 31 Cb 0.57 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 2yrr h VAL 31 CO 0.04 0.55 0.49 -0.07 0.02 0.00 0.00 177.57 178.60 2yrr h LEU 32 N 0.26 0.55 -0.47 2.57 4.07 -0.99 0.64 115.31 121.95 2yrr h LEU 32 Ca -0.03 0.02 -0.17 0.00 0.08 0.00 0.00 57.88 57.78 2yrr h LEU 32 Cb 1.16 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 2yrr h LEU 32 CO 0.11 0.32 -0.76 0.03 -1.08 0.00 0.00 178.44 177.06 2yrr h ARG 33 N 0.60 0.11 -0.28 1.13 3.08 -1.12 -1.83 114.38 116.08 2yrr h ARG 33 Ca 0.35 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 2yrr h ARG 33 Cb 0.54 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2yrr h ARG 33 CO -0.12 0.82 -0.26 0.28 -1.07 0.00 0.00 179.97 179.61 2yrr h VAL 34 N 0.07 1.27 -0.35 2.04 2.07 -0.35 -1.11 116.25 119.90 2yrr h VAL 34 Ca -0.02 -1.32 -0.12 0.00 0.82 0.00 0.00 66.70 66.07 2yrr h VAL 34 Cb 1.33 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2yrr h VAL 34 CO 0.11 0.42 -0.26 0.78 0.02 0.00 0.00 177.57 178.64 2yrr h ASN 35 N 0.48 0.72 -0.56 0.57 2.35 -0.76 -0.05 115.58 118.33 2yrr h ASN 35 Ca 0.07 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.44 2yrr h ASN 35 Cb 0.71 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 2yrr h ASN 35 CO 0.05 0.95 -0.07 0.03 -1.65 0.00 0.00 177.43 176.74 2yrr h ARG 36 N 0.61 1.04 -0.30 0.81 2.47 -0.95 -1.17 114.38 116.90 2yrr h ARG 36 Ca 0.08 -0.37 -0.08 0.00 -1.26 0.00 0.00 59.98 58.35 2yrr h ARG 36 Cb 0.76 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 2yrr h ARG 36 CO 0.06 1.06 -0.16 0.00 0.56 0.00 0.00 179.97 181.49 2yrr h ALA 37 N 0.97 1.17 -0.32 0.04 0.00 -0.83 -1.94 119.26 118.34 2yrr h ALA 37 Ca 0.15 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2yrr h ALA 37 Cb 0.64 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2yrr h ALA 37 CO 0.04 0.53 -0.03 0.82 0.00 0.00 0.00 179.25 180.61 2yrr h ILE 38 N 0.48 1.27 -0.90 0.00 2.04 -0.65 -2.47 117.51 117.28 2yrr h ILE 38 Ca 0.08 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2yrr h ILE 38 Cb 0.56 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 2yrr h ILE 38 CO 0.04 0.34 0.51 1.56 0.00 0.00 0.00 178.15 180.59 2yrr h GLN 39 N 0.38 1.24 -0.12 2.37 4.20 -0.99 -0.26 115.11 121.94 2yrr h GLN 39 Ca 0.09 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2yrr h GLN 39 Cb 0.50 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2yrr h GLN 39 CO 0.02 0.90 0.07 1.49 -0.67 0.00 0.00 178.83 180.64 2yrr h GLU 40 N 1.25 0.16 -0.29 1.46 4.81 -1.23 0.82 114.58 121.55 2yrr h GLU 40 Ca 0.32 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.41 2yrr h GLU 40 Cb 0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2yrr h GLU 40 CO -0.05 0.15 -0.34 0.00 -0.73 0.00 0.00 179.01 178.04 2yrr h ARG 41 N 0.12 0.64 -0.57 1.92 3.08 -1.26 -2.11 114.38 116.20 2yrr h ARG 41 Ca 0.04 -0.30 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 2yrr h ARG 41 Cb 0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2yrr h ARG 41 CO -0.01 0.89 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.67 2yrr h LEU 42 N 0.54 1.01 -1.48 3.04 3.38 -0.86 -2.38 115.31 118.56 2yrr h LEU 42 Ca 0.06 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2yrr h LEU 42 Cb 0.84 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2yrr h LEU 42 CO 0.07 1.08 -0.02 0.00 0.09 0.00 0.00 178.44 179.66 2yrr h ALA 43 N 1.02 1.58 -0.46 1.53 0.00 -0.63 0.35 119.26 122.64 2yrr h ALA 43 Ca 0.16 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2yrr h ALA 43 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2yrr h ALA 43 CO 0.04 0.31 -0.07 0.00 0.00 0.00 0.00 179.25 179.52 2yrr h ALA 44 N 1.68 1.01 0.17 0.00 0.00 -0.88 0.23 119.26 121.46 2yrr h ALA 44 Ca 0.07 -0.30 -0.27 0.00 0.00 0.00 0.00 54.91 54.41 2yrr h ALA 44 Cb 0.24 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.87 2yrr h ALA 44 CO 0.01 0.60 -1.25 -0.07 0.00 0.00 0.00 179.25 178.54 2yrr h LEU 45 N 0.74 0.56 -0.10 0.00 3.38 -1.01 -3.38 115.31 115.50 2yrr h LEU 45 Ca 0.13 -0.92 -0.20 0.00 0.09 0.00 0.00 57.88 56.98 2yrr h LEU 45 Cb 0.55 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.13 2yrr h LEU 45 CO 0.03 1.58 -0.73 -0.26 0.09 0.00 0.00 178.44 179.16 2yrr h PHE 46 N -0.17 0.93 -5.82 1.13 0.05 -0.34 -3.41 116.94 109.31 2yrr h PHE 46 Ca -0.24 -0.43 -0.27 0.00 3.82 0.00 0.00 57.97 60.85 2yrr h PHE 46 Cb 1.86 -0.14 0.09 0.00 2.00 0.00 0.00 35.95 39.76 2yrr h PHE 46 CO 0.15 1.25 -0.69 -3.47 -0.18 0.00 0.00 178.31 175.37 2yrr n ASP 47 N -4.03 -6.33 0.14 2.17 2.03 0.81 -0.70 116.55 110.62 2yrr n ASP 47 Ca -0.08 -0.68 0.13 0.00 0.52 0.00 0.00 54.79 54.68 2yrr n ASP 47 Cb 0.72 -4.26 0.37 0.00 -0.72 0.00 0.00 41.12 37.23 2yrr n ASP 47 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2yrr h PRO 48 N -0.88 0.00 0.00 -0.67 0.13 -1.93 -1.93 132.00 126.72 2yrr h PRO 48 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2yrr h PRO 48 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2yrr h PRO 48 CO 0.41 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.59 2yrr n GLY 49 N 1.12 -0.80 3.75 1.56 0.00 -1.26 -4.68 105.19 104.89 2yrr n GLY 49 Ca 0.05 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 2yrr n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yrr s GLU 50 N -3.18 2.96 0.00 1.61 -1.05 -1.26 -2.92 118.70 114.86 2yrr s GLU 50 Ca 0.00 1.81 0.00 0.00 -0.15 0.00 0.00 54.97 56.63 2yrr s GLU 50 Cb 0.00 -1.93 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 2yrr s GLU 50 CO 0.00 -1.22 0.00 0.41 0.95 0.00 0.00 175.26 175.40 2yrr n GLY 51 N 0.48 1.42 3.80 -3.83 0.00 -1.26 -4.48 105.19 101.32 2yrr n GLY 51 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2yrr n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrr s ALA 52 N -3.43 2.79 -0.24 4.61 0.00 -1.15 -4.25 121.76 120.10 2yrr s ALA 52 Ca 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 51.96 52.36 2yrr s ALA 52 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2yrr s ALA 52 CO 0.00 -0.60 0.31 -1.17 0.00 0.00 0.00 175.76 174.31 2yrr s LEU 53 N -3.98 4.10 -0.10 0.00 2.96 0.59 -4.93 118.68 117.32 2yrr s LEU 53 Ca 0.66 0.30 0.04 0.00 -0.22 0.00 0.00 54.13 54.91 2yrr s LEU 53 Cb -0.17 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.17 2yrr s LEU 53 CO 0.28 -0.07 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.33 2yrr s VAL 54 N 1.52 1.93 0.29 1.68 1.01 -1.26 -1.08 120.40 124.49 2yrr s VAL 54 Ca 0.14 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 2yrr s VAL 54 Cb -0.15 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.60 2yrr s VAL 54 CO 0.08 0.53 0.80 0.00 0.00 0.00 0.00 175.10 176.51 2yrr s ALA 55 N 0.43 -1.14 -0.36 5.51 0.00 -0.95 -4.88 121.76 120.38 2yrr s ALA 55 Ca -0.17 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2yrr s ALA 55 Cb -0.17 0.75 0.11 0.00 0.00 0.00 0.00 23.12 23.81 2yrr s ALA 55 CO 0.07 -1.02 0.13 0.00 0.00 0.00 0.00 175.76 174.94 2yrr s ALA 56 N -3.11 2.09 0.56 0.00 0.00 -1.26 0.27 121.76 120.31 2yrr s ALA 56 Ca 0.14 -2.18 -0.21 0.00 0.00 0.00 0.00 51.96 49.71 2yrr s ALA 56 Cb -0.05 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2yrr s ALA 56 CO 0.08 -1.78 1.34 -0.51 0.00 0.00 0.00 175.76 174.88 2yrr s LEU 57 N 1.05 3.82 -1.36 0.00 1.43 -0.03 -4.60 118.68 119.00 2yrr s LEU 57 Ca 0.12 2.72 -0.16 0.00 -1.03 0.00 0.00 54.13 55.78 2yrr s LEU 57 Cb -0.20 -4.32 0.06 0.00 0.03 0.00 0.00 46.19 41.76 2yrr s LEU 57 CO -0.14 -1.60 1.93 0.00 0.23 0.00 0.00 176.35 176.77 2yrr n ALA 58 N -1.13 4.41 0.00 4.21 0.00 -1.26 -1.01 120.51 125.73 2yrr n ALA 58 Ca 0.11 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.66 2yrr n ALA 58 Cb 0.46 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 16.36 2yrr n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yrr n GLY 59 N 4.76 -1.04 3.70 0.00 0.00 -0.63 -4.98 105.19 107.00 2yrr n GLY 59 Ca 0.49 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 2yrr n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrr s SER 60 N 0.00 1.97 0.45 1.61 1.04 -1.26 -2.23 113.70 115.27 2yrr s SER 60 Ca 0.00 0.69 0.16 0.00 0.48 0.00 0.00 55.95 57.28 2yrr s SER 60 Cb 0.00 -1.01 1.09 0.00 0.10 0.00 0.00 66.02 66.20 2yrr s SER 60 CO 0.00 -3.48 1.98 1.23 0.98 0.00 0.00 173.24 173.95 2yrr h GLY 61 N -2.14 0.50 1.91 7.32 0.00 -1.78 -0.71 103.07 108.17 2yrr h GLY 61 Ca -0.47 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 46.73 2yrr h GLY 61 CO 0.43 0.08 0.03 1.76 0.00 0.00 0.00 176.54 178.84 2yrr h SER 62 N 0.34 0.00 -0.44 0.19 0.02 -1.91 0.72 113.55 112.47 2yrr h SER 62 Ca 0.28 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.12 2yrr h SER 62 Cb 0.64 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2yrr h SER 62 CO -0.07 0.00 -0.16 0.25 -1.14 0.00 0.00 176.83 175.71 2yrr h LEU 63 N 0.00 0.90 -0.94 5.07 5.85 -1.45 -0.44 115.31 124.30 2yrr h LEU 63 Ca 0.02 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 2yrr h LEU 63 Cb 0.08 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 2yrr h LEU 63 CO -0.00 1.08 0.36 1.23 -0.34 0.00 0.00 178.44 180.77 2yrr h GLY 64 N 0.72 1.20 0.87 3.75 0.00 -0.92 -0.28 103.07 108.40 2yrr h GLY 64 Ca 0.11 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 2yrr h GLY 64 CO 0.05 0.57 0.01 1.98 0.00 0.00 0.00 176.54 179.15 2yrr h MET 65 N 1.11 0.04 -0.26 4.80 1.85 -0.69 -2.98 114.93 118.80 2yrr h MET 65 Ca 0.27 -0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 59.26 2yrr h MET 65 Cb 0.13 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.14 2yrr h MET 65 CO -0.03 0.16 -0.21 1.49 -0.40 0.00 0.00 176.91 177.92 2yrr h GLU 66 N -0.10 0.49 -0.74 0.39 4.81 -0.85 -2.89 114.58 115.69 2yrr h GLU 66 Ca 0.01 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 2yrr h GLU 66 Cb 0.14 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 2yrr h GLU 66 CO -0.00 0.67 0.49 0.00 -0.73 0.00 0.00 179.01 179.44 2yrr h ALA 67 N 1.34 1.58 0.00 2.92 0.00 -0.93 0.23 119.26 124.40 2yrr h ALA 67 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2yrr h ALA 67 Cb 0.61 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2yrr h ALA 67 CO 0.04 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2yrr n GLY 68 N -1.43 -1.29 0.33 0.00 0.00 -1.09 -3.17 105.19 98.54 2yrr n GLY 68 Ca 0.10 0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 2yrr n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yrr n LEU 69 N -2.07 1.80 0.29 0.99 4.77 -0.31 -4.53 117.00 117.95 2yrr n LEU 69 Ca 0.03 0.13 0.16 0.00 -0.03 0.00 0.00 56.01 56.30 2yrr n LEU 69 Cb 0.25 -0.55 0.91 0.00 -2.33 0.00 0.00 43.42 41.70 2yrr n LEU 69 CO 0.20 0.50 1.09 0.00 -1.33 0.00 0.00 177.39 177.85 2yrr h ALA 70 N -0.45 1.31 -0.01 -1.18 0.00 -0.71 -2.29 119.26 115.93 2yrr h ALA 70 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2yrr h ALA 70 Cb 1.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2yrr h ALA 70 CO -0.21 0.05 -0.32 0.09 0.00 0.00 0.00 179.25 178.86 2yrr n ASN 71 N -3.58 0.97 -4.71 0.00 4.13 -1.19 -4.15 115.26 106.73 2yrr n ASN 71 Ca -0.02 -0.80 -0.42 0.00 1.68 0.00 0.00 54.58 55.02 2yrr n ASN 71 Cb 0.14 0.18 -0.03 0.00 -1.54 0.00 0.00 39.78 38.53 2yrr n ASN 71 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2yrr s LEU 72 N -2.60 4.36 0.15 3.41 2.96 -0.87 -0.78 118.68 125.32 2yrr s LEU 72 Ca 0.21 2.38 -0.17 0.00 -0.22 0.00 0.00 54.13 56.33 2yrr s LEU 72 Cb 0.19 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.35 2yrr s LEU 72 CO 0.56 -0.73 1.72 -2.24 -1.32 0.00 0.00 176.35 174.34 2yrr h ASP 73 N 7.17 -0.05 -5.06 3.68 3.04 -1.31 -3.37 116.42 120.52 2yrr h ASP 73 Ca -0.42 0.06 0.03 0.00 -3.24 0.00 0.00 57.03 53.46 2yrr h ASP 73 Cb 1.20 0.10 -0.05 0.00 -1.04 0.00 0.00 39.33 39.54 2yrr h ASP 73 CO 0.89 0.01 0.16 0.00 -2.04 0.00 0.00 179.24 178.26 2yrr s ARG 74 N -6.18 1.80 0.00 4.15 1.70 -1.26 -4.77 118.95 114.39 2yrr s ARG 74 Ca -0.13 -1.11 0.00 0.00 -0.47 0.00 0.00 55.73 54.02 2yrr s ARG 74 Cb 0.12 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 35.08 2yrr s ARG 74 CO 0.70 -0.81 0.00 0.41 -1.08 0.00 0.00 175.30 174.52 2yrr n GLY 75 N -0.46 2.73 3.74 3.88 0.00 -1.26 -4.80 105.19 109.02 2yrr n GLY 75 Ca -0.04 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 2yrr n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrr s PRO 76 N 2.77 1.09 -0.07 1.61 0.04 -1.26 -4.54 135.00 134.64 2yrr s PRO 76 Ca 0.00 0.53 0.02 0.00 0.04 0.00 0.00 61.00 61.59 2yrr s PRO 76 Cb 0.00 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.74 2yrr s PRO 76 CO 0.00 -2.29 -0.10 0.08 0.04 0.00 0.00 177.00 174.74 2yrr s VAL 77 N -3.08 0.98 -0.44 -0.36 1.01 -1.16 -1.04 120.40 116.30 2yrr s VAL 77 Ca 0.64 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 2yrr s VAL 77 Cb -0.17 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.31 2yrr s VAL 77 CO 0.56 0.33 0.65 -0.22 0.00 0.00 0.00 175.10 176.41 2yrr s LEU 78 N 0.88 4.52 -0.36 3.92 2.96 -0.30 0.12 118.68 130.43 2yrr s LEU 78 Ca -0.11 -0.38 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 2yrr s LEU 78 Cb -0.15 -2.71 0.00 0.00 0.50 0.00 0.00 46.19 43.83 2yrr s LEU 78 CO 0.01 -0.79 0.23 -0.69 -1.32 0.00 0.00 176.35 173.79 2yrr s VAL 79 N 2.83 5.01 -0.53 1.68 1.01 0.38 -1.09 120.40 129.70 2yrr s VAL 79 Ca 0.22 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 2yrr s VAL 79 Cb -0.14 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2yrr s VAL 79 CO 0.19 -0.12 0.97 -0.76 0.00 0.00 0.00 175.10 175.38 2yrr s LEU 80 N 1.66 3.99 -0.20 3.92 1.43 -0.73 -1.12 118.68 127.62 2yrr s LEU 80 Ca 0.05 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 52.89 2yrr s LEU 80 Cb -0.18 -2.98 -0.05 0.00 0.03 0.00 0.00 46.19 43.01 2yrr s LEU 80 CO 0.09 -1.21 0.14 -0.69 0.23 0.00 0.00 176.35 174.91 2yrr s VAL 81 N 4.03 5.40 0.00 -1.59 1.01 -0.43 -4.62 120.40 124.20 2yrr s VAL 81 Ca 0.34 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.52 2yrr s VAL 81 Cb -0.11 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2yrr s VAL 81 CO 0.22 0.43 0.00 -3.20 0.00 0.00 0.00 175.10 172.56 2yrr n ASN 82 N 3.55 0.00 0.00 3.32 2.85 -1.26 -1.82 115.26 121.91 2yrr n ASN 82 Ca -0.16 -0.99 0.00 0.00 -0.11 0.00 0.00 54.58 53.32 2yrr n ASN 82 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 2yrr n ASN 82 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2yrr n GLY 83 N 0.00 -1.27 0.24 8.20 0.00 -1.26 -4.33 105.19 106.77 2yrr n GLY 83 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 2yrr n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrr h ALA 84 N 0.00 -0.01 0.00 4.61 0.00 -1.94 -1.65 119.26 120.27 2yrr h ALA 84 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2yrr h ALA 84 Cb 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2yrr h ALA 84 CO 0.00 -0.60 -0.53 0.74 0.00 0.00 0.00 179.25 178.86 2yrr h PHE 85 N -0.18 0.00 0.00 0.00 -1.00 -1.96 -1.54 116.94 112.27 2yrr h PHE 85 Ca 0.15 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.85 2yrr h PHE 85 Cb 0.40 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 2yrr h PHE 85 CO -0.37 0.53 -0.37 0.66 -1.61 0.00 0.00 178.31 177.14 2yrr h SER 86 N 0.00 0.00 0.29 2.17 4.64 -1.86 -2.53 113.55 116.26 2yrr h SER 86 Ca -0.01 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 2yrr h SER 86 Cb 0.96 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 2yrr h SER 86 CO 0.07 0.37 -0.63 1.56 -0.87 0.00 0.00 176.83 177.33 2yrr h GLN 87 N 0.00 0.33 -0.51 4.77 4.20 -0.84 -2.12 115.11 120.94 2yrr h GLN 87 Ca -0.00 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 2yrr h GLN 87 Cb 1.10 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 2yrr h GLN 87 CO 0.05 0.85 0.01 -0.09 -0.67 0.00 0.00 178.83 178.98 2yrr h ARG 88 N 0.24 0.85 -0.35 1.46 2.43 -0.96 -0.04 114.38 118.01 2yrr h ARG 88 Ca -0.01 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 2yrr h ARG 88 Cb 1.16 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 2yrr h ARG 88 CO 0.10 0.84 0.18 0.28 -1.51 0.00 0.00 179.97 179.87 2yrr h VAL 89 N 0.79 1.15 -0.77 0.20 2.07 -1.15 -1.30 116.25 117.23 2yrr h VAL 89 Ca 0.15 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2yrr h VAL 89 Cb 0.46 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2yrr h VAL 89 CO 0.02 0.16 0.49 0.00 0.02 0.00 0.00 177.57 178.25 2yrr h ALA 90 N 1.04 1.02 0.41 1.67 0.00 -0.86 -0.43 119.26 122.12 2yrr h ALA 90 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2yrr h ALA 90 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2yrr h ALA 90 CO -0.02 0.28 -0.39 0.93 0.00 0.00 0.00 179.25 180.05 2yrr h GLU 91 N 0.94 -0.78 -0.88 0.00 5.08 -0.50 -1.71 114.58 116.73 2yrr h GLU 91 Ca 0.31 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 2yrr h GLU 91 Cb 0.04 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2yrr h GLU 91 CO -0.12 -0.52 0.57 0.52 -1.00 0.00 0.00 179.01 178.46 2yrr h MET 92 N -0.81 1.09 -0.60 2.33 2.86 -1.01 -0.74 114.93 118.04 2yrr h MET 92 Ca -0.04 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2yrr h MET 92 Cb 0.72 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 2yrr h MET 92 CO -0.05 0.72 0.32 0.00 1.06 0.00 0.00 176.91 178.96 2yrr h ALA 93 N 1.35 1.43 -0.11 6.32 0.00 -0.89 -1.53 119.26 125.84 2yrr h ALA 93 Ca 0.34 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 2yrr h ALA 93 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2yrr h ALA 93 CO -0.11 0.47 -0.76 0.00 0.00 0.00 0.00 179.25 178.85 2yrr h ALA 94 N 1.51 0.45 -0.61 0.00 0.00 -0.70 -1.19 119.26 118.72 2yrr h ALA 94 Ca 0.21 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.54 2yrr h ALA 94 Cb 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2yrr h ALA 94 CO -0.03 0.73 0.38 1.25 0.00 0.00 0.00 179.25 181.57 2yrr h LEU 95 N 0.40 0.63 -1.47 0.00 5.85 -0.53 -2.40 115.31 117.79 2yrr h LEU 95 Ca -0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2yrr h LEU 95 Cb 1.36 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2yrr h LEU 95 CO 0.14 0.44 0.00 1.41 -0.34 0.00 0.00 178.44 180.09 2yrr n HIS 96 N -4.72 0.57 -3.68 1.25 8.25 -0.63 -4.92 115.22 111.34 2yrr n HIS 96 Ca 0.06 -0.23 -0.25 0.00 -0.26 0.00 0.00 57.72 57.04 2yrr n HIS 96 Cb 0.07 -0.12 0.06 0.00 1.12 0.00 0.00 29.99 31.12 2yrr n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2yrr n GLY 97 N 0.61 -0.47 1.17 -1.41 0.00 -0.90 -4.89 105.19 99.29 2yrr n GLY 97 Ca 0.10 0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.37 2yrr n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yrr n LEU 98 N -4.70 3.38 -3.95 0.99 4.77 -0.46 -4.76 117.00 112.28 2yrr n LEU 98 Ca -0.06 -1.71 -0.34 0.00 -0.03 0.00 0.00 56.01 53.87 2yrr n LEU 98 Cb 0.58 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2yrr n LEU 98 CO 0.68 0.52 -0.20 -0.67 -1.33 0.00 0.00 177.39 176.39 2yrr n ASP 99 N 0.53 -2.85 -4.76 -1.43 4.64 -1.26 -2.99 116.55 108.42 2yrr n ASP 99 Ca 0.16 -1.13 -0.38 0.00 -1.38 0.00 0.00 54.79 52.06 2yrr n ASP 99 Cb 0.68 -2.56 0.00 0.00 -1.04 0.00 0.00 41.12 38.20 2yrr n ASP 99 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2yrr s PRO 100 N -6.74 3.71 -0.22 -0.67 0.04 -1.26 -3.10 135.00 126.76 2yrr s PRO 100 Ca 0.30 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.38 2yrr s PRO 100 Cb -0.13 -2.51 0.05 0.00 0.04 0.00 0.00 34.50 31.94 2yrr s PRO 100 CO 0.92 -0.67 -0.12 -2.00 0.04 0.00 0.00 177.00 175.17 2yrr s GLU 101 N -2.56 2.22 -0.14 4.56 2.56 0.12 -4.89 118.70 120.57 2yrr s GLU 101 Ca 0.63 -1.01 -0.20 0.00 0.00 0.00 0.00 54.97 54.38 2yrr s GLU 101 Cb -0.35 -2.60 -0.03 0.00 2.00 0.00 0.00 34.13 33.15 2yrr s GLU 101 CO 0.43 -0.45 0.59 0.08 -0.56 0.00 0.00 175.26 175.35 2yrr s VAL 102 N 1.29 5.09 -0.34 3.70 1.01 -1.26 -0.47 120.40 129.42 2yrr s VAL 102 Ca -0.03 1.16 -0.04 0.00 0.00 0.00 0.00 61.98 63.07 2yrr s VAL 102 Cb -0.17 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.36 2yrr s VAL 102 CO -0.08 0.22 0.09 -0.22 0.00 0.00 0.00 175.10 175.12 2yrr s LEU 103 N 1.17 4.41 0.40 3.92 2.96 -0.28 -4.96 118.68 126.31 2yrr s LEU 103 Ca 0.30 -1.45 -0.10 0.00 -0.22 0.00 0.00 54.13 52.66 2yrr s LEU 103 Cb -0.16 -1.79 -0.06 0.00 0.50 0.00 0.00 46.19 44.67 2yrr s LEU 103 CO 0.12 -0.36 0.76 -1.81 -1.32 0.00 0.00 176.35 173.74 2yrr s ASP 104 N 1.48 6.51 -0.05 3.68 1.11 -1.26 -1.32 116.67 126.82 2yrr s ASP 104 Ca -0.00 1.11 -0.09 0.00 0.18 0.00 0.00 52.55 53.74 2yrr s ASP 104 Cb -0.21 -2.31 0.02 0.00 1.07 0.00 0.00 42.92 41.49 2yrr s ASP 104 CO -0.01 -0.39 0.22 -0.36 1.18 0.00 0.00 175.17 175.81 2yrr s PHE 105 N -2.36 -0.17 0.28 4.23 0.40 -0.75 -4.94 117.98 114.67 2yrr s PHE 105 Ca 0.51 0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 56.90 2yrr s PHE 105 Cb -0.10 0.05 -0.12 0.00 0.51 0.00 0.00 43.02 43.36 2yrr s PHE 105 CO 0.31 -0.21 1.50 -2.30 0.70 0.00 0.00 175.22 175.23 2yrr n PRO 106 N 2.28 2.42 -1.87 0.24 -0.02 -1.26 -4.47 135.00 132.32 2yrr n PRO 106 Ca -0.17 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 2yrr n PRO 106 Cb 0.57 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 2yrr n PRO 106 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2yrr s PRO 107 N -0.64 4.19 0.00 0.52 0.02 -1.26 -1.14 135.00 136.68 2yrr s PRO 107 Ca 0.64 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.08 2yrr s PRO 107 Cb -0.55 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 30.62 2yrr s PRO 107 CO 0.51 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 2yrr n GLY 108 N 3.93 0.89 3.36 0.52 0.00 -1.26 -4.97 105.19 107.66 2yrr n GLY 108 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2yrr n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yrr s GLU 109 N -0.50 1.49 0.67 1.61 2.02 -0.29 -0.43 118.70 123.25 2yrr s GLU 109 Ca 0.00 -1.25 -0.09 0.00 0.02 0.00 0.00 54.97 53.64 2yrr s GLU 109 Cb 0.00 -1.86 0.01 0.00 0.10 0.00 0.00 34.13 32.38 2yrr s GLU 109 CO 0.00 0.45 1.03 -1.25 0.02 0.00 0.00 175.26 175.51 2yrr s PRO 110 N -1.79 2.88 0.25 0.39 0.04 -1.26 -4.72 135.00 130.78 2yrr s PRO 110 Ca 0.13 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.16 2yrr s PRO 110 Cb -0.10 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 2yrr s PRO 110 CO 0.05 -0.92 1.34 0.08 0.04 0.00 0.00 177.00 177.59 2yrr s VAL 111 N -3.23 2.92 -0.45 -0.36 1.01 -1.26 -4.93 120.40 114.10 2yrr s VAL 111 Ca 0.57 0.81 -0.23 0.00 0.00 0.00 0.00 61.98 63.12 2yrr s VAL 111 Cb -0.11 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2yrr s VAL 111 CO 0.49 0.14 0.77 -0.62 0.00 0.00 0.00 175.10 175.89 2yrr s ASP 112 N 0.11 6.41 0.62 3.32 -1.08 -1.26 -4.61 116.67 120.17 2yrr s ASP 112 Ca 0.55 -0.12 0.37 0.00 -0.52 0.00 0.00 52.55 52.83 2yrr s ASP 112 Cb -0.39 -2.38 2.07 0.00 -1.46 0.00 0.00 42.92 40.76 2yrr s ASP 112 CO 0.43 -0.90 2.28 1.55 0.52 0.00 0.00 175.17 179.05 2yrr h PRO 113 N 8.96 0.00 -0.24 4.34 0.13 -1.94 -1.82 132.00 141.43 2yrr h PRO 113 Ca -0.25 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.70 2yrr h PRO 113 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2yrr h PRO 113 CO 0.95 0.01 -0.59 0.93 -0.23 0.00 0.00 178.00 179.08 2yrr h GLU 114 N 0.00 0.79 -0.12 0.86 5.08 -2.00 -1.40 114.58 117.79 2yrr h GLU 114 Ca -0.00 -0.52 -0.13 0.00 -1.00 0.00 0.00 59.36 57.71 2yrr h GLU 114 Cb 0.07 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2yrr h GLU 114 CO 0.00 1.15 -0.49 0.00 -1.00 0.00 0.00 179.01 178.67 2yrr h ALA 115 N 0.73 0.94 -0.12 3.43 0.00 -1.78 -2.42 119.26 120.05 2yrr h ALA 115 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2yrr h ALA 115 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2yrr h ALA 115 CO 0.12 0.66 0.04 0.28 0.00 0.00 0.00 179.25 180.35 2yrr h VAL 116 N 0.25 1.18 -0.50 0.00 2.07 -1.22 -1.78 116.25 116.25 2yrr h VAL 116 Ca 0.01 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.04 2yrr h VAL 116 Cb 0.95 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 2yrr h VAL 116 CO 0.08 0.16 0.20 0.00 0.02 0.00 0.00 177.57 178.03 2yrr h ALA 117 N 0.84 0.62 -0.87 1.67 0.00 -1.12 -1.24 119.26 119.16 2yrr h ALA 117 Ca 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2yrr h ALA 117 Cb 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2yrr h ALA 117 CO -0.00 -0.19 0.48 0.00 0.00 0.00 0.00 179.25 179.54 2yrr h ARG 118 N 0.39 1.21 -0.63 0.00 3.08 -1.29 -2.26 114.38 114.88 2yrr h ARG 118 Ca 0.23 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2yrr h ARG 118 Cb 0.23 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2yrr h ARG 118 CO -0.22 0.89 0.26 0.00 -1.07 0.00 0.00 179.97 179.82 2yrr h ALA 119 N 1.26 1.26 0.00 0.04 0.00 -0.60 -2.49 119.26 118.72 2yrr h ALA 119 Ca 0.31 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2yrr h ALA 119 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2yrr h ALA 119 CO -0.05 0.55 -0.23 -0.07 0.00 0.00 0.00 179.25 179.45 2yrr h LEU 120 N 0.91 0.00 0.00 0.00 3.38 -0.70 -2.72 115.31 116.18 2yrr h LEU 120 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2yrr h LEU 120 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2yrr h LEU 120 CO -0.02 0.23 -0.11 0.11 0.09 0.00 0.00 178.44 178.74 2yrr h LYS 121 N 0.00 0.00 0.06 1.13 1.79 -0.98 -3.31 116.57 115.26 2yrr h LYS 121 Ca -0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 2yrr h LYS 121 Cb 0.72 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2yrr h LYS 121 CO 0.03 0.06 -1.07 0.00 -1.08 0.00 0.00 179.45 177.38 2yrr h ARG 122 N 0.00 0.26 -2.74 3.15 2.47 -1.27 -3.48 114.38 112.76 2yrr h ARG 122 Ca -0.00 -0.36 -0.07 0.00 -1.26 0.00 0.00 59.98 58.29 2yrr h ARG 122 Cb 1.04 0.12 -0.17 0.00 -1.65 0.00 0.00 29.97 29.31 2yrr h ARG 122 CO 0.01 1.11 -0.03 -0.98 0.56 0.00 0.00 179.97 180.64 2yrr s ARG 123 N -2.91 0.95 0.05 0.04 1.04 -1.21 -5.14 118.95 111.76 2yrr s ARG 123 Ca -0.04 -0.17 -0.30 0.00 -1.04 0.00 0.00 55.73 54.18 2yrr s ARG 123 Cb 0.08 0.43 -0.05 0.00 -2.04 0.00 0.00 34.95 33.38 2yrr s ARG 123 CO 0.86 -0.32 1.03 1.03 -0.04 0.00 0.00 175.30 177.86 2yrr s ARG 124 N -2.03 4.57 0.02 3.89 0.52 -1.26 -4.69 118.95 119.96 2yrr s ARG 124 Ca -0.08 1.52 0.08 0.00 -0.52 0.00 0.00 55.73 56.73 2yrr s ARG 124 Cb -0.01 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 2yrr s ARG 124 CO 0.01 -0.02 -0.25 0.71 0.02 0.00 0.00 175.30 175.77 2yrr s TYR 125 N 0.68 2.36 0.15 -0.53 2.02 -1.26 -4.65 117.35 116.12 2yrr s TYR 125 Ca 0.52 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.81 2yrr s TYR 125 Cb -0.24 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.85 2yrr s TYR 125 CO 0.29 0.08 1.36 -0.09 -1.57 0.00 0.00 175.55 175.62 2yrr h ARG 126 N 5.05 0.30 -2.78 -0.62 9.65 -1.33 -3.38 114.38 121.28 2yrr h ARG 126 Ca -0.45 -0.32 -0.10 0.00 -1.10 0.00 0.00 59.98 58.01 2yrr h ARG 126 Cb 1.14 0.09 -0.20 0.00 -1.39 0.00 0.00 29.97 29.61 2yrr h ARG 126 CO 0.45 1.01 -0.15 1.41 2.80 0.00 0.00 179.97 185.49 2yrr s MET 127 N -3.29 0.77 -0.15 0.20 1.75 -1.21 -1.35 119.30 116.03 2yrr s MET 127 Ca -0.04 -0.09 0.02 0.00 -1.25 0.00 0.00 55.69 54.33 2yrr s MET 127 Cb 0.10 0.35 0.01 0.00 2.84 0.00 0.00 34.83 38.13 2yrr s MET 127 CO 0.84 -0.22 -0.21 0.08 -0.65 0.00 0.00 175.02 174.86 2yrr s VAL 128 N -1.33 2.01 -0.10 10.11 1.01 0.12 -1.15 120.40 131.05 2yrr s VAL 128 Ca -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2yrr s VAL 128 Cb -0.04 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2yrr s VAL 128 CO 0.05 0.54 -0.10 0.00 0.00 0.00 0.00 175.10 175.59 2yrr s ALA 129 N 0.94 2.78 0.04 5.51 0.00 -0.25 -0.66 121.76 130.12 2yrr s ALA 129 Ca -0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 2yrr s ALA 129 Cb -0.15 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 2yrr s ALA 129 CO -0.04 0.38 0.01 -1.17 0.00 0.00 0.00 175.76 174.93 2yrr s LEU 130 N -0.13 2.20 -0.26 0.00 2.96 0.07 -1.78 118.68 121.73 2yrr s LEU 130 Ca 0.00 -0.70 -0.07 0.00 -0.22 0.00 0.00 54.13 53.14 2yrr s LEU 130 Cb -0.13 0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.83 2yrr s LEU 130 CO 0.03 -0.47 0.07 -0.69 -1.32 0.00 0.00 176.35 173.97 2yrr s VAL 131 N -2.72 4.20 0.08 1.68 1.01 -1.26 -1.13 120.40 122.27 2yrr s VAL 131 Ca -0.04 -0.32 -0.32 0.00 0.00 0.00 0.00 61.98 61.29 2yrr s VAL 131 Cb -0.01 -3.02 -0.15 0.00 0.00 0.00 0.00 36.38 33.21 2yrr s VAL 131 CO -0.05 0.27 1.50 -0.74 0.00 0.00 0.00 175.10 176.08 2yrr h HIS 132 N 8.24 -1.31 -3.61 5.22 2.76 -1.08 -3.39 115.15 121.97 2yrr h HIS 132 Ca -0.37 0.02 -0.67 0.00 -2.20 0.00 0.00 60.37 57.15 2yrr h HIS 132 Cb 1.16 0.53 -0.36 0.00 1.55 0.00 0.00 27.41 30.29 2yrr h HIS 132 CO 0.65 -0.59 -0.80 0.20 -1.30 0.00 0.00 177.93 176.08 2yrr s GLY 133 N -2.03 1.59 -0.80 5.26 0.00 -1.26 -0.62 107.32 109.46 2yrr s GLY 133 Ca -0.16 -1.59 -0.25 0.00 0.00 0.00 0.00 44.72 42.72 2yrr s GLY 133 CO 0.54 0.52 1.28 1.85 0.00 0.00 0.00 173.10 177.29 2yrr s GLU 134 N 1.18 3.28 0.58 2.90 2.56 -0.13 -4.52 118.70 124.56 2yrr s GLU 134 Ca -0.04 -0.55 0.28 0.00 0.00 0.00 0.00 54.97 54.66 2yrr s GLU 134 Cb -0.18 -4.47 1.66 0.00 2.00 0.00 0.00 34.13 33.15 2yrr s GLU 134 CO -0.07 -2.11 2.13 1.15 -0.56 0.00 0.00 175.26 175.80 2yrr h THR 135 N 6.19 0.52 0.00 -1.70 2.02 -1.97 0.20 112.91 118.17 2yrr h THR 135 Ca -0.16 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.90 2yrr h THR 135 Cb 1.04 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 2yrr h THR 135 CO 1.30 0.00 -0.57 0.77 0.37 0.00 0.00 175.52 177.38 2yrr h SER 136 N 0.00 0.00 0.00 4.18 4.64 -1.89 -3.33 113.55 117.15 2yrr h SER 136 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2yrr h SER 136 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2yrr h SER 136 CO -0.00 0.57 -0.80 0.35 -0.87 0.00 0.00 176.83 176.08 2yrr n THR 137 N -3.39 0.00 -2.19 2.95 -2.24 -0.94 -4.65 114.28 103.82 2yrr n THR 137 Ca 0.01 -0.26 -0.08 0.00 -2.27 0.00 0.00 64.05 61.45 2yrr n THR 137 Cb 0.70 0.70 -0.00 0.00 -2.10 0.00 0.00 70.33 69.62 2yrr n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yrr n GLY 138 N 1.58 0.06 3.56 3.38 0.00 0.66 -3.97 105.19 110.45 2yrr n GLY 138 Ca 0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 2yrr n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yrr s VAL 139 N -2.44 3.52 -0.23 1.61 1.01 -1.16 -0.62 120.40 122.09 2yrr s VAL 139 Ca 0.01 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 2yrr s VAL 139 Cb -0.01 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 2yrr s VAL 139 CO 0.01 0.50 0.14 -0.22 0.00 0.00 0.00 175.10 175.53 2yrr s LEU 140 N -1.08 4.00 0.24 3.92 2.96 0.08 -0.95 118.68 127.84 2yrr s LEU 140 Ca 0.14 0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 54.04 2yrr s LEU 140 Cb -0.11 -2.07 -0.06 0.00 0.50 0.00 0.00 46.19 44.45 2yrr s LEU 140 CO 0.04 0.06 0.53 0.20 -1.32 0.00 0.00 176.35 175.87 2yrr s ASN 141 N 1.05 6.56 -1.21 3.68 0.01 0.20 -4.82 114.94 120.42 2yrr s ASN 141 Ca 0.07 0.84 -0.17 0.00 -0.71 0.00 0.00 52.86 52.89 2yrr s ASN 141 Cb -0.14 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.30 2yrr s ASN 141 CO 0.04 -0.10 2.13 -0.81 -1.51 0.00 0.00 177.10 176.86 2yrr n PRO 142 N -0.33 2.37 -0.06 -0.60 -0.04 -1.26 -4.79 135.00 130.29 2yrr n PRO 142 Ca -0.00 -2.31 -0.07 0.00 -0.04 0.00 0.00 63.50 61.07 2yrr n PRO 142 Cb 0.53 -3.14 -0.01 0.00 -0.04 0.00 0.00 33.50 30.83 2yrr n PRO 142 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yrr h ALA 143 N 6.66 0.19 -0.46 0.55 0.00 -1.94 -1.49 119.26 122.78 2yrr h ALA 143 Ca 0.52 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.60 2yrr h ALA 143 Cb 0.64 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 2yrr h ALA 143 CO 1.91 -0.45 0.07 1.49 0.00 0.00 0.00 179.25 182.27 2yrr h GLU 144 N 0.03 0.19 -0.54 0.00 4.81 -1.86 0.26 114.58 117.48 2yrr h GLU 144 Ca 0.12 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 2yrr h GLU 144 Cb 0.17 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2yrr h GLU 144 CO -0.24 0.13 -0.07 0.00 -0.73 0.00 0.00 179.01 178.10 2yrr h ALA 145 N 1.37 0.86 -0.45 2.92 0.00 -1.86 -2.55 119.26 119.55 2yrr h ALA 145 Ca 0.23 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2yrr h ALA 145 Cb 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2yrr h ALA 145 CO -0.32 0.65 -0.12 0.82 0.00 0.00 0.00 179.25 180.29 2yrr h ILE 146 N 0.88 1.26 -0.91 0.00 1.08 -0.58 -2.82 117.51 116.42 2yrr h ILE 146 Ca 0.15 -1.21 0.01 0.00 -0.39 0.00 0.00 64.86 63.42 2yrr h ILE 146 Cb 0.61 1.04 -0.04 0.00 -3.07 0.00 0.00 36.82 35.36 2yrr h ILE 146 CO 0.04 0.41 0.60 1.23 -0.69 0.00 0.00 178.15 179.74 2yrr h GLY 147 N 0.97 1.29 1.41 5.37 0.00 -0.22 -1.37 103.07 110.52 2yrr h GLY 147 Ca 0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2yrr h GLY 147 CO 0.04 0.48 0.16 0.00 0.00 0.00 0.00 176.54 177.22 2yrr h ALA 148 N 1.33 1.32 -0.38 3.60 0.00 -1.22 -1.22 119.26 122.69 2yrr h ALA 148 Ca 0.33 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2yrr h ALA 148 Cb -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2yrr h ALA 148 CO -0.07 0.49 -0.33 -0.07 0.00 0.00 0.00 179.25 179.27 2yrr h LEU 149 N 0.74 0.90 -0.26 0.00 3.38 -1.21 -2.11 115.31 116.76 2yrr h LEU 149 Ca 0.17 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2yrr h LEU 149 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2yrr h LEU 149 CO -0.01 1.15 0.06 0.00 0.09 0.00 0.00 178.44 179.73 2yrr h ALA 150 N 0.90 0.34 -0.57 1.53 0.00 -0.77 -1.35 119.26 119.35 2yrr h ALA 150 Ca 0.07 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2yrr h ALA 150 Cb 0.90 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2yrr h ALA 150 CO 0.08 0.00 0.38 1.57 0.00 0.00 0.00 179.25 181.28 2yrr h LYS 151 N 0.24 0.68 -0.21 0.00 -0.00 -1.16 0.49 116.57 116.62 2yrr h LYS 151 Ca 0.08 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.65 60.64 2yrr h LYS 151 Cb 0.29 -0.15 -0.01 0.00 -0.00 0.00 0.00 32.23 32.36 2yrr h LYS 151 CO 0.00 0.45 -0.05 0.93 -0.00 0.00 0.00 179.45 180.79 2yrr h GLU 152 N 0.70 0.40 0.00 0.07 5.08 -1.06 -2.86 114.58 116.91 2yrr h GLU 152 Ca 0.22 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2yrr h GLU 152 Cb 0.02 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2yrr h GLU 152 CO -0.05 0.64 0.00 0.00 -1.00 0.00 0.00 179.01 178.60 2yrr n ALA 153 N -2.37 2.39 -1.33 3.43 0.00 -0.54 -4.89 120.51 117.20 2yrr n ALA 153 Ca -0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 2yrr n ALA 153 Cb 0.28 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 2yrr n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yrr n GLY 154 N 0.87 0.81 3.91 0.00 0.00 0.02 -4.79 105.19 106.02 2yrr n GLY 154 Ca 0.15 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 2yrr n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yrr s ALA 155 N -2.28 3.95 0.40 4.61 0.00 -0.38 -4.93 121.76 123.13 2yrr s ALA 155 Ca 0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 51.96 50.96 2yrr s ALA 155 Cb 0.00 -1.91 -0.09 0.00 0.00 0.00 0.00 23.12 21.13 2yrr s ALA 155 CO 0.00 0.76 1.10 -0.51 0.00 0.00 0.00 175.76 177.11 2yrr s LEU 156 N -2.22 4.17 -0.30 0.00 1.43 -0.45 -4.24 118.68 117.06 2yrr s LEU 156 Ca 0.32 2.17 -0.08 0.00 -1.03 0.00 0.00 54.13 55.51 2yrr s LEU 156 Cb -0.13 -4.11 0.01 0.00 0.03 0.00 0.00 46.19 41.99 2yrr s LEU 156 CO 0.23 -0.57 0.10 0.12 0.23 0.00 0.00 176.35 176.47 2yrr s PHE 157 N -1.54 3.16 -0.24 0.29 5.36 -1.26 0.11 117.98 123.86 2yrr s PHE 157 Ca 0.57 -0.90 -0.11 0.00 -0.96 0.00 0.00 56.93 55.52 2yrr s PHE 157 Cb -0.26 -2.29 -0.05 0.00 -0.34 0.00 0.00 43.02 40.09 2yrr s PHE 157 CO 0.32 -0.56 0.20 0.12 -1.46 0.00 0.00 175.22 173.84 2yrr s PHE 158 N 1.52 3.32 -0.05 10.12 5.36 0.16 -0.35 117.98 138.06 2yrr s PHE 158 Ca 0.03 0.28 -0.01 0.00 -0.96 0.00 0.00 56.93 56.28 2yrr s PHE 158 Cb -0.17 -2.32 0.03 0.00 -0.34 0.00 0.00 43.02 40.22 2yrr s PHE 158 CO 0.04 0.04 0.00 -1.17 -1.46 0.00 0.00 175.22 172.67 2yrr s LEU 159 N 1.13 0.79 -0.48 6.12 2.96 0.72 -0.75 118.68 129.17 2yrr s LEU 159 Ca 0.09 -0.06 -0.28 0.00 -0.22 0.00 0.00 54.13 53.66 2yrr s LEU 159 Cb -0.14 -0.35 0.03 0.00 0.50 0.00 0.00 46.19 46.23 2yrr s LEU 159 CO 0.05 -0.16 1.09 -0.62 -1.32 0.00 0.00 176.35 175.40 2yrr s ASP 160 N 1.60 6.59 -0.26 3.68 -1.08 -0.28 -3.20 116.67 123.71 2yrr s ASP 160 Ca -0.01 0.35 0.13 0.00 -0.52 0.00 0.00 52.55 52.50 2yrr s ASP 160 Cb -0.13 -2.53 0.66 0.00 -1.46 0.00 0.00 42.92 39.46 2yrr s ASP 160 CO -0.03 -1.22 1.63 0.00 0.52 0.00 0.00 175.17 176.06 2yrr n ALA 161 N 7.72 3.92 -0.23 3.66 0.00 -0.48 -0.41 120.51 134.69 2yrr n ALA 161 Ca 0.10 -2.38 0.02 0.00 0.00 0.00 0.00 53.44 51.19 2yrr n ALA 161 Cb 0.49 -0.99 0.14 0.00 0.00 0.00 0.00 19.45 19.09 2yrr n ALA 161 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2yrr h VAL 162 N 2.36 0.70 -0.46 0.00 2.07 -1.89 -0.23 116.25 118.80 2yrr h VAL 162 Ca 0.13 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2yrr h VAL 162 Cb 1.91 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2yrr h VAL 162 CO 0.49 0.07 0.00 0.35 0.02 0.00 0.00 177.57 178.50 2yrr n THR 163 N -5.02 0.61 0.00 2.57 -2.24 -1.26 -4.06 114.28 104.87 2yrr n THR 163 Ca 0.11 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2yrr n THR 163 Cb 0.34 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 2yrr n THR 163 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2yrr n THR 164 N 0.92 0.00 -1.68 4.28 -2.24 -0.91 -4.70 114.28 109.96 2yrr n THR 164 Ca 0.17 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.53 2yrr n THR 164 Cb 0.42 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 2yrr n THR 164 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2yrr s LEU 165 N -4.65 4.43 0.00 3.22 2.96 -0.14 -0.58 118.68 123.92 2yrr s LEU 165 Ca 0.00 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.60 2yrr s LEU 165 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 2yrr s LEU 165 CO 0.00 -1.05 0.00 0.61 -1.32 0.00 0.00 176.35 174.59 2yrr n GLY 166 N 4.51 0.57 0.00 7.98 0.00 -1.26 -4.53 105.19 112.46 2yrr n GLY 166 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2yrr n GLY 166 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2yrr n MET 167 N -2.00 0.00 -4.43 1.61 1.56 -0.44 -4.78 117.12 108.64 2yrr n MET 167 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 57.70 57.20 2yrr n MET 167 Cb 0.00 -0.49 -0.13 0.00 2.15 0.00 0.00 33.22 34.74 2yrr n MET 167 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2yrr s LEU 168 N -1.24 2.20 0.02 -0.89 1.43 0.25 -2.44 118.68 118.02 2yrr s LEU 168 Ca 0.00 -0.54 -0.39 0.00 -1.03 0.00 0.00 54.13 52.17 2yrr s LEU 168 Cb 0.00 -0.79 -0.19 0.00 0.03 0.00 0.00 46.19 45.24 2yrr s LEU 168 CO 0.00 0.07 1.13 -2.65 0.23 0.00 0.00 176.35 175.13 2yrr n PRO 169 N 1.66 0.25 -3.73 1.29 -0.02 -1.26 -4.61 135.00 128.58 2yrr n PRO 169 Ca -0.18 0.09 -0.13 0.00 -2.02 0.00 0.00 63.50 61.26 2yrr n PRO 169 Cb 0.54 -1.62 -0.10 0.00 -0.02 0.00 0.00 33.50 32.30 2yrr n PRO 169 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2yrr s PHE 170 N 0.10 -0.46 -0.30 6.00 5.36 -1.26 -5.00 117.98 122.43 2yrr s PHE 170 Ca 0.90 1.11 -0.07 0.00 -0.96 0.00 0.00 56.93 57.91 2yrr s PHE 170 Cb -1.20 0.16 0.17 0.00 -0.34 0.00 0.00 43.02 41.80 2yrr s PHE 170 CO 0.55 -0.22 0.71 0.45 -1.46 0.00 0.00 175.22 175.25 2yrr s SER 171 N 0.24 -1.11 0.29 6.13 0.15 -1.26 -4.72 113.70 113.41 2yrr s SER 171 Ca -0.00 1.04 -0.02 0.00 0.70 0.00 0.00 55.95 57.67 2yrr s SER 171 Cb -0.03 2.07 0.44 0.00 -1.71 0.00 0.00 66.02 66.79 2yrr s SER 171 CO 0.00 -0.21 1.93 0.24 1.20 0.00 0.00 173.24 176.40 2yrr h MET 172 N 7.94 1.10 0.23 5.44 2.86 -0.69 0.35 114.93 132.17 2yrr h MET 172 Ca -0.19 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2yrr h MET 172 Cb 1.14 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 2yrr h MET 172 CO 0.15 0.73 -0.22 -0.09 1.06 0.00 0.00 176.91 178.54 2yrr h ARG 173 N 1.13 -0.46 0.00 1.72 2.43 -1.59 0.35 114.38 117.97 2yrr h ARG 173 Ca 0.36 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.50 2yrr h ARG 173 Cb 0.03 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2yrr h ARG 173 CO -0.11 -0.31 -0.33 0.00 -1.51 0.00 0.00 179.97 177.72 2yrr h ALA 174 N 0.23 1.03 -0.21 2.80 0.00 -1.77 -3.07 119.26 118.26 2yrr h ALA 174 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2yrr h ALA 174 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2yrr h ALA 174 CO -0.04 0.41 0.00 -1.33 0.00 0.00 0.00 179.25 178.29 2yrr n MET 175 N -3.52 2.40 -2.79 0.00 2.81 0.08 -4.96 117.12 111.14 2yrr n MET 175 Ca -0.00 -2.11 -0.20 0.00 -1.81 0.00 0.00 57.70 53.58 2yrr n MET 175 Cb 0.47 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.52 2yrr n MET 175 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2yrr n GLY 176 N 1.42 -0.43 3.75 3.03 0.00 0.95 -4.03 105.19 109.88 2yrr n GLY 176 Ca 0.17 0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2yrr n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yrr s VAL 177 N -3.09 4.76 -0.11 1.61 1.01 0.39 -4.48 120.40 120.49 2yrr s VAL 177 Ca 0.20 1.52 0.18 0.00 0.00 0.00 0.00 61.98 63.87 2yrr s VAL 177 Cb -0.09 -4.06 -0.26 0.00 0.00 0.00 0.00 36.38 31.97 2yrr s VAL 177 CO 0.24 0.39 0.23 0.47 0.00 0.00 0.00 175.10 176.44 2yrr n ASP 178 N 2.68 0.55 -3.66 3.32 8.00 0.52 -4.70 116.55 123.26 2yrr n ASP 178 Ca -0.04 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.30 2yrr n ASP 178 Cb 0.50 1.37 -0.15 0.00 -0.02 0.00 0.00 41.12 42.83 2yrr n ASP 178 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2yrr s TYR 179 N -2.85 -0.25 0.06 1.24 5.04 -0.74 -0.11 117.35 119.75 2yrr s TYR 179 Ca -0.08 0.70 0.05 0.00 -2.44 0.00 0.00 57.07 55.30 2yrr s TYR 179 Cb 0.09 -0.20 -0.03 0.00 0.35 0.00 0.00 41.96 42.17 2yrr s TYR 179 CO 0.77 -0.30 -0.14 0.00 -1.34 0.00 0.00 175.55 174.54 2yrr s ALA 180 N 2.33 1.20 0.20 3.97 0.00 -0.45 -0.20 121.76 128.81 2yrr s ALA 180 Ca 0.03 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.88 2yrr s ALA 180 Cb -0.12 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.89 2yrr s ALA 180 CO -0.07 0.20 0.52 -0.59 0.00 0.00 0.00 175.76 175.82 2yrr s PHE 181 N -1.09 -0.09 0.00 0.00 -0.12 -1.19 -1.09 117.98 114.39 2yrr s PHE 181 Ca -0.00 -0.25 -0.00 0.00 -0.05 0.00 0.00 56.93 56.62 2yrr s PHE 181 Cb -0.09 0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.68 2yrr s PHE 181 CO 0.02 -0.92 0.00 -2.37 -0.05 0.00 0.00 175.22 171.90 2yrr n THR 182 N -0.34 0.00 -4.33 -4.49 5.66 -0.60 -1.39 114.28 108.79 2yrr n THR 182 Ca -0.09 -0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.67 2yrr n THR 182 Cb 0.62 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.29 2yrr n THR 182 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2yrr s GLY 183 N -1.00 1.37 0.45 1.09 0.00 -1.26 -3.01 107.32 104.96 2yrr s GLY 183 Ca 0.00 -1.41 0.15 0.00 0.00 0.00 0.00 44.72 43.46 2yrr s GLY 183 CO 0.00 -1.44 1.98 1.48 0.00 0.00 0.00 173.10 175.12 2yrr h SER 184 N 3.59 0.00 -0.12 1.64 4.64 -1.15 -3.06 113.55 119.09 2yrr h SER 184 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2yrr h SER 184 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2yrr h SER 184 CO 0.46 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.61 2yrr n GLN 185 N -4.25 1.48 0.00 4.77 0.00 -1.21 -1.40 117.38 116.77 2yrr n GLN 185 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 57.00 56.25 2yrr n GLN 185 Cb 0.26 -1.34 0.00 0.00 0.00 0.00 0.00 30.24 29.16 2yrr n GLN 185 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2yrr n LYS 186 N -0.04 0.00 0.30 2.61 4.76 -1.16 -2.25 118.16 122.39 2yrr n LYS 186 Ca 0.15 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.77 2yrr n LYS 186 Cb 0.23 0.00 0.93 0.00 -1.84 0.00 0.00 35.03 34.36 2yrr n LYS 186 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2yrr n LEU 188 N -3.33 0.78 -3.80 0.00 4.77 -1.26 -3.44 117.00 110.73 2yrr n LEU 188 Ca -0.02 0.61 -0.27 0.00 -0.03 0.00 0.00 56.01 56.29 2yrr n LEU 188 Cb 0.17 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 40.90 2yrr n LEU 188 CO 0.25 -0.31 0.13 -1.20 -1.33 0.00 0.00 177.39 174.93 2yrr n SER 189 N -2.27 -4.81 -4.78 -1.43 7.64 -0.88 -4.78 113.62 102.31 2yrr n SER 189 Ca 0.04 -0.72 -0.23 0.00 1.01 0.00 0.00 58.87 58.98 2yrr n SER 189 Cb 0.37 -4.24 -0.06 0.00 -1.01 0.00 0.00 64.21 59.27 2yrr n SER 189 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yrr s ALA 190 N -3.34 3.66 0.43 -0.43 0.00 -0.50 -4.33 121.76 117.25 2yrr s ALA 190 Ca 0.56 -1.86 -0.26 0.00 0.00 0.00 0.00 51.96 50.40 2yrr s ALA 190 Cb -0.27 -0.78 -0.09 0.00 0.00 0.00 0.00 23.12 21.98 2yrr s ALA 190 CO 0.80 -0.05 1.39 -2.14 0.00 0.00 0.00 175.76 175.76 2yrr s PRO 191 N -3.93 3.82 0.64 0.00 0.02 -1.26 -3.30 135.00 131.00 2yrr s PRO 191 Ca 0.40 2.34 -0.16 0.00 0.02 0.00 0.00 61.00 63.60 2yrr s PRO 191 Cb -0.02 -2.72 -0.01 0.00 0.02 0.00 0.00 34.50 31.77 2yrr s PRO 191 CO 0.24 -0.68 1.15 -1.25 -0.33 0.00 0.00 177.00 176.13 2yrr s PRO 192 N -2.34 2.79 0.00 5.54 0.04 -1.26 -4.22 135.00 135.54 2yrr s PRO 192 Ca 0.59 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2yrr s PRO 192 Cb -0.42 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2yrr s PRO 192 CO 0.54 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.70 2yrr n GLY 193 N -0.05 0.70 3.24 0.56 0.00 -1.26 -4.96 105.19 103.42 2yrr n GLY 193 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2yrr n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yrr s LEU 194 N 0.00 2.35 -0.35 0.99 1.43 -1.03 -1.61 118.68 120.46 2yrr s LEU 194 Ca 0.00 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 2yrr s LEU 194 Cb 0.00 -0.65 0.11 0.00 0.03 0.00 0.00 46.19 45.69 2yrr s LEU 194 CO 0.00 -0.07 0.14 0.00 0.23 0.00 0.00 176.35 176.65 2yrr s ALA 195 N -1.66 1.77 0.20 4.21 0.00 -0.18 -0.63 121.76 125.48 2yrr s ALA 195 Ca 0.06 -1.99 -0.31 0.00 0.00 0.00 0.00 51.96 49.72 2yrr s ALA 195 Cb -0.08 -1.72 -0.10 0.00 0.00 0.00 0.00 23.12 21.22 2yrr s ALA 195 CO 0.03 -1.79 1.56 -2.14 0.00 0.00 0.00 175.76 173.42 2yrr s PRO 196 N 1.20 4.21 0.17 0.00 0.02 -1.16 -0.85 135.00 138.59 2yrr s PRO 196 Ca 0.12 2.40 0.02 0.00 0.02 0.00 0.00 61.00 63.57 2yrr s PRO 196 Cb -0.20 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.16 2yrr s PRO 196 CO -0.16 -0.59 -0.02 0.96 -0.33 0.00 0.00 177.00 176.87 2yrr s ILE 197 N 0.77 0.80 -0.21 2.83 -5.25 0.14 -1.56 121.20 118.73 2yrr s ILE 197 Ca 0.67 -2.00 -0.08 0.00 -0.99 0.00 0.00 60.65 58.26 2yrr s ILE 197 Cb -0.44 -2.09 0.09 0.00 2.95 0.00 0.00 42.46 42.96 2yrr s ILE 197 CO 0.36 -0.51 0.45 0.00 -1.79 0.00 0.00 174.94 173.44 2yrr s ALA 198 N -3.57 -1.24 -0.16 2.27 0.00 -0.25 -2.23 121.76 116.57 2yrr s ALA 198 Ca 0.23 1.60 0.02 0.00 0.00 0.00 0.00 51.96 53.81 2yrr s ALA 198 Cb 0.05 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.86 2yrr s ALA 198 CO 0.04 -0.72 -0.21 0.00 0.00 0.00 0.00 175.76 174.87 2yrr s ALA 199 N 2.50 2.29 1.03 0.00 0.00 -0.24 -1.34 121.76 125.99 2yrr s ALA 199 Ca -0.03 -1.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 2yrr s ALA 199 Cb -0.11 -1.08 0.21 0.00 0.00 0.00 0.00 23.12 22.13 2yrr s ALA 199 CO -0.13 -0.18 1.08 -1.54 0.00 0.00 0.00 175.76 174.99 2yrr s SER 200 N 1.04 2.30 0.17 0.00 1.04 0.85 -0.30 113.70 118.80 2yrr s SER 200 Ca -0.01 1.23 -0.14 0.00 0.48 0.00 0.00 55.95 57.51 2yrr s SER 200 Cb -0.14 -1.91 0.14 0.00 0.10 0.00 0.00 66.02 64.20 2yrr s SER 200 CO -0.07 -3.34 1.74 0.25 0.98 0.00 0.00 173.24 172.80 2yrr h LEU 201 N -2.03 0.11 -1.22 2.42 5.85 -1.78 -1.42 115.31 117.23 2yrr h LEU 201 Ca -0.56 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 2yrr h LEU 201 Cb 1.33 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 2yrr h LEU 201 CO 0.56 0.09 0.22 -0.33 -0.34 0.00 0.00 178.44 178.65 2yrr h GLU 202 N 0.29 0.76 -0.20 1.25 4.39 -1.93 -1.74 114.58 117.40 2yrr h GLU 202 Ca 0.22 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 2yrr h GLU 202 Cb 0.24 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2yrr h GLU 202 CO -0.24 0.62 0.05 0.00 -1.16 0.00 0.00 179.01 178.28 2yrr h ALA 203 N 1.49 0.27 -0.91 3.43 0.00 -1.58 -2.62 119.26 119.34 2yrr h ALA 203 Ca 0.18 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2yrr h ALA 203 Cb 0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2yrr h ALA 203 CO -0.02 -0.09 0.59 0.00 0.00 0.00 0.00 179.25 179.73 2yrr h ARG 204 N 0.14 1.05 -0.33 0.00 3.08 -0.88 0.20 114.38 117.64 2yrr h ARG 204 Ca 0.06 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2yrr h ARG 204 Cb 0.26 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2yrr h ARG 204 CO -0.00 0.69 0.05 0.87 -1.07 0.00 0.00 179.97 180.51 2yrr h LYS 205 N 1.08 0.50 0.00 0.04 1.57 -1.11 -2.15 116.57 116.50 2yrr h LYS 205 Ca 0.38 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2yrr h LYS 205 Cb 0.12 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2yrr h LYS 205 CO -0.13 0.49 -0.57 0.00 -0.57 0.00 0.00 179.45 178.67 2yrr n ALA 206 N -2.48 3.18 -1.99 3.86 0.00 -0.32 -4.56 120.51 118.19 2yrr n ALA 206 Ca 0.02 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 2yrr n ALA 206 Cb 0.20 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2yrr n ALA 206 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2yrr n PHE 207 N -1.83 3.24 -0.02 0.00 0.99 0.56 -0.83 117.46 119.57 2yrr n PHE 207 Ca 0.04 -2.89 0.02 0.00 -0.00 0.00 0.00 57.45 54.62 2yrr n PHE 207 Cb 0.39 -2.28 0.04 0.00 -1.00 0.00 0.00 39.48 36.63 2yrr n PHE 207 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2yrr n THR 208 N 4.25 0.84 -2.46 4.37 -2.24 -0.85 -4.90 114.28 113.28 2yrr n THR 208 Ca 0.47 -0.92 -0.38 0.00 -2.27 0.00 0.00 64.05 60.95 2yrr n THR 208 Cb 0.37 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 69.16 2yrr n THR 208 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2yrr s GLY 209 N -0.88 2.86 -0.44 3.38 0.00 0.04 -4.85 107.32 107.42 2yrr s GLY 209 Ca 0.07 0.82 0.02 0.00 0.00 0.00 0.00 44.72 45.63 2yrr s GLY 209 CO 0.05 1.32 0.23 0.54 0.00 0.00 0.00 173.10 175.23 2yrr s LYS 210 N -2.18 1.38 0.00 2.90 -0.14 -1.26 -4.56 119.74 115.88 2yrr s LYS 210 Ca 0.54 -2.05 0.00 0.00 -1.36 0.00 0.00 55.97 53.10 2yrr s LYS 210 Cb -0.27 -2.52 0.00 0.00 -1.68 0.00 0.00 37.83 33.37 2yrr s LYS 210 CO 0.34 -1.13 0.00 0.54 -0.76 0.00 0.00 175.35 174.33 2yrr n ARG 211 N 3.57 5.08 -3.80 1.68 1.74 -1.26 -5.06 116.66 118.60 2yrr n ARG 211 Ca 0.07 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.03 2yrr n ARG 211 Cb 0.35 -0.54 -0.10 0.00 -1.02 0.00 0.00 32.46 31.14 2yrr n ARG 211 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2yrr s GLY 212 N -1.07 -0.10 -0.15 -0.13 0.00 -1.26 -5.07 107.32 99.53 2yrr s GLY 212 Ca 0.00 0.30 -0.15 0.00 0.00 0.00 0.00 44.72 44.87 2yrr s GLY 212 CO 0.00 0.15 0.16 -0.25 0.00 0.00 0.00 173.10 173.16 2yrr h TRP 213 N 4.58 0.00 -0.73 1.90 7.01 -1.97 -3.24 115.95 123.50 2yrr h TRP 213 Ca -0.29 0.00 0.07 0.00 2.11 0.00 0.00 58.89 60.78 2yrr h TRP 213 Cb 1.19 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 28.19 2yrr h TRP 213 CO 0.51 0.66 0.41 -0.92 -2.79 0.00 0.00 178.44 176.31 2yrr h TYR 214 N -1.00 0.75 -0.40 2.65 3.20 -2.02 -2.35 116.97 117.80 2yrr h TYR 214 Ca -0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2yrr h TYR 214 Cb 0.75 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2yrr h TYR 214 CO 0.02 0.34 0.00 1.47 -1.64 0.00 0.00 178.16 178.35 2yrr n LEU 215 N -4.77 3.92 -4.58 2.82 -0.00 -1.26 -4.89 117.00 108.24 2yrr n LEU 215 Ca 0.10 -1.99 -0.41 0.00 -0.00 0.00 0.00 56.01 53.71 2yrr n LEU 215 Cb 0.21 -0.58 -0.03 0.00 -0.00 0.00 0.00 43.42 43.02 2yrr n LEU 215 CO 0.28 0.52 1.44 -0.62 -0.00 0.00 0.00 177.39 179.01 2yrr s ASP 216 N -0.58 5.85 0.55 1.45 -1.08 -0.89 -4.80 116.67 117.17 2yrr s ASP 216 Ca 0.36 0.73 0.37 0.00 -0.52 0.00 0.00 52.55 53.48 2yrr s ASP 216 Cb 0.26 -2.53 1.90 0.00 -1.46 0.00 0.00 42.92 41.09 2yrr s ASP 216 CO 0.12 -1.84 2.11 -0.07 0.52 0.00 0.00 175.17 176.01 2yrr h LEU 217 N 14.03 0.00 -0.06 -1.34 3.38 -1.90 -0.12 115.31 129.30 2yrr h LEU 217 Ca -0.29 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 2yrr h LEU 217 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2yrr h LEU 217 CO 1.12 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 179.42 2yrr h ALA 218 N 2.02 0.11 -0.55 1.53 0.00 -1.91 -0.59 119.26 119.87 2yrr h ALA 218 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2yrr h ALA 218 Cb 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2yrr h ALA 218 CO 0.00 0.10 0.11 0.00 0.00 0.00 0.00 179.25 179.46 2yrr h ARG 219 N -0.24 0.86 -0.74 0.00 3.08 -1.56 -2.02 114.38 113.76 2yrr h ARG 219 Ca -0.01 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 2yrr h ARG 219 Cb 0.87 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.76 2yrr h ARG 219 CO 0.05 0.79 0.22 0.28 -1.07 0.00 0.00 179.97 180.24 2yrr h VAL 220 N 0.83 1.26 -0.73 2.04 2.07 -1.05 -2.88 116.25 117.79 2yrr h VAL 220 Ca 0.18 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.78 2yrr h VAL 220 Cb 0.33 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2yrr h VAL 220 CO 0.00 0.36 0.48 0.00 0.02 0.00 0.00 177.57 178.43 2yrr h ALA 221 N 1.12 0.94 -0.91 1.67 0.00 -0.39 -0.93 119.26 120.77 2yrr h ALA 221 Ca 0.24 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.23 2yrr h ALA 221 Cb 0.33 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2yrr h ALA 221 CO -0.00 0.31 0.58 1.49 0.00 0.00 0.00 179.25 181.62 2yrr h GLU 222 N 0.95 0.79 0.00 0.00 4.57 -1.22 0.30 114.58 119.98 2yrr h GLU 222 Ca 0.28 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 2yrr h GLU 222 Cb -0.06 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.35 2yrr h GLU 222 CO -0.08 0.53 -0.15 1.25 -1.18 0.00 0.00 179.01 179.37 2yrr h HIS 223 N 0.82 0.00 -0.11 0.92 2.76 -1.40 0.23 115.15 118.37 2yrr h HIS 223 Ca 0.44 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.46 2yrr h HIS 223 Cb 0.55 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 2yrr h HIS 223 CO -0.00 0.92 -0.59 -1.49 -1.30 0.00 0.00 177.93 175.48 2yrr h TRP 224 N -1.00 0.45 0.06 5.26 4.06 -1.07 -0.99 115.95 122.72 2yrr h TRP 224 Ca -0.04 -0.17 -0.34 0.00 2.06 0.00 0.00 58.89 60.40 2yrr h TRP 224 Cb 0.91 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.95 2yrr h TRP 224 CO 0.22 0.86 -1.89 0.39 -3.56 0.00 0.00 178.44 174.45 2yrr n GLU 225 N -3.91 0.67 -0.10 0.49 1.02 0.11 -4.59 120.64 114.32 2yrr n GLU 225 Ca -0.03 0.35 0.07 0.00 -0.02 0.00 0.00 57.16 57.53 2yrr n GLU 225 Cb 0.61 -1.67 0.13 0.00 -0.02 0.00 0.00 31.44 30.49 2yrr n GLU 225 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2yrr n ARG 226 N -3.84 1.85 -1.45 3.49 1.74 -1.02 -4.99 116.66 112.44 2yrr n ARG 226 Ca -0.36 -1.76 -0.16 0.00 -0.77 0.00 0.00 57.85 54.79 2yrr n ARG 226 Cb 0.91 -1.32 -0.07 0.00 -1.02 0.00 0.00 32.46 30.96 2yrr n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2yrr n GLY 227 N 0.85 1.56 3.75 -0.13 0.00 -0.38 -4.90 105.19 105.94 2yrr n GLY 227 Ca 0.12 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2yrr n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yrr n GLY 228 N -0.75 -0.70 3.71 -0.02 0.00 0.72 -4.90 105.19 103.25 2yrr n GLY 228 Ca -0.16 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 2yrr n GLY 228 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2yrr s TYR 229 N -3.51 3.48 0.00 1.61 5.04 -1.26 -3.93 117.35 118.77 2yrr s TYR 229 Ca 0.70 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 2yrr s TYR 229 Cb -0.03 -2.55 0.00 0.00 0.35 0.00 0.00 41.96 39.73 2yrr s TYR 229 CO 0.48 0.12 0.00 1.58 -1.34 0.00 0.00 175.55 176.39 2yrr n HIS 230 N 3.90 0.00 -3.60 4.97 -0.00 -1.26 -4.87 115.22 114.35 2yrr n HIS 230 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.54 2yrr n HIS 230 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.48 2yrr n HIS 230 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2yrr s HIS 231 N -0.99 -0.32 0.30 1.57 -3.43 -1.26 -5.14 115.29 106.02 2yrr s HIS 231 Ca 0.00 0.02 -0.30 0.00 -0.80 0.00 0.00 55.06 53.99 2yrr s HIS 231 Cb 0.00 0.49 -0.11 0.00 -1.43 0.00 0.00 32.58 31.53 2yrr s HIS 231 CO 0.00 -0.90 1.53 0.99 -2.00 0.00 0.00 174.74 174.35 2yrr s THR 232 N -3.82 2.25 0.21 -5.38 2.01 -1.26 -5.00 115.64 104.64 2yrr s THR 232 Ca 0.05 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.31 2yrr s THR 232 Cb -0.01 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 2yrr s THR 232 CO -0.07 0.04 0.26 0.42 -0.69 0.00 0.00 174.62 174.58 2yrr s THR 233 N -0.23 4.94 -1.37 -0.82 -4.23 -1.26 -5.00 115.64 107.68 2yrr s THR 233 Ca 0.60 -1.03 -0.16 0.00 -1.18 0.00 0.00 61.69 59.93 2yrr s THR 233 Cb -0.46 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 69.79 2yrr s THR 233 CO 0.49 -0.23 2.10 -0.81 -0.54 0.00 0.00 174.62 175.63 2yrr n PRO 234 N -0.94 2.80 -0.33 3.99 -0.04 -1.26 -4.80 135.00 134.43 2yrr n PRO 234 Ca -0.08 -2.69 0.21 0.00 -0.04 0.00 0.00 63.50 60.90 2yrr n PRO 234 Cb 0.56 -3.32 0.41 0.00 -0.04 0.00 0.00 33.50 31.11 2yrr n PRO 234 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2yrr h VAL 235 N 4.42 0.09 -0.60 0.52 2.07 -1.94 0.13 116.25 120.93 2yrr h VAL 235 Ca 0.53 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.96 2yrr h VAL 235 Cb 0.70 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2yrr h VAL 235 CO 1.79 0.01 0.13 -0.07 0.02 0.00 0.00 177.57 179.45 2yrr h LEU 236 N 0.07 0.88 -1.24 2.57 3.38 -1.94 -1.54 115.31 117.49 2yrr h LEU 236 Ca 0.69 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.40 2yrr h LEU 236 Cb 1.59 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2yrr h LEU 236 CO -0.80 0.87 -0.35 -0.07 0.09 0.00 0.00 178.44 178.17 2yrr h LEU 237 N 0.90 0.04 -0.36 1.67 3.38 -1.16 -2.16 115.31 117.61 2yrr h LEU 237 Ca 0.19 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2yrr h LEU 237 Cb 0.34 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2yrr h LEU 237 CO 0.00 0.40 0.16 0.45 0.09 0.00 0.00 178.44 179.53 2yrr h HIS 238 N 0.04 0.54 -0.22 1.13 3.86 -0.67 0.21 115.15 120.04 2yrr h HIS 238 Ca 0.00 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.21 2yrr h HIS 238 Cb 0.65 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 2yrr h HIS 238 CO 0.00 0.48 0.02 1.88 0.86 0.00 0.00 177.93 181.18 2yrr h TYR 239 N 0.44 0.03 -0.74 2.45 0.05 -0.89 -1.68 116.97 116.62 2yrr h TYR 239 Ca 0.12 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.87 2yrr h TYR 239 Cb 0.16 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 2yrr h TYR 239 CO -0.01 -0.01 0.26 0.00 -1.05 0.00 0.00 178.16 177.36 2yrr h ALA 240 N 1.18 0.97 -0.73 3.88 0.00 -1.09 -2.37 119.26 121.11 2yrr h ALA 240 Ca 0.10 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2yrr h ALA 240 Cb 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2yrr h ALA 240 CO -0.16 0.63 0.22 1.25 0.00 0.00 0.00 179.25 181.19 2yrr h LEU 241 N 1.09 1.07 -0.51 0.00 5.85 -0.31 -0.81 115.31 121.69 2yrr h LEU 241 Ca 0.24 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2yrr h LEU 241 Cb 0.26 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2yrr h LEU 241 CO -0.01 1.00 0.29 0.25 -0.34 0.00 0.00 178.44 179.62 2yrr h LEU 242 N 1.08 0.63 -0.56 2.25 5.85 -1.09 0.38 115.31 123.85 2yrr h LEU 242 Ca 0.23 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2yrr h LEU 242 Cb 0.32 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2yrr h LEU 242 CO -0.01 0.52 0.34 -0.33 -0.34 0.00 0.00 178.44 178.63 2yrr h GLU 243 N 0.68 0.76 -0.46 1.25 4.39 -1.16 -1.34 114.58 118.70 2yrr h GLU 243 Ca 0.18 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2yrr h GLU 243 Cb 0.03 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2yrr h GLU 243 CO -0.03 0.54 0.30 0.00 -1.16 0.00 0.00 179.01 178.66 2yrr h ALA 244 N 1.17 0.59 -0.75 3.43 0.00 -0.69 -1.49 119.26 121.52 2yrr h ALA 244 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2yrr h ALA 244 Cb -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2yrr h ALA 244 CO -0.04 0.05 0.31 -0.07 0.00 0.00 0.00 179.25 179.49 2yrr h LEU 245 N 0.62 1.03 -0.53 0.00 3.38 -0.65 -0.88 115.31 118.28 2yrr h LEU 245 Ca 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2yrr h LEU 245 Cb -0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 2yrr h LEU 245 CO -0.04 0.92 0.33 0.44 0.09 0.00 0.00 178.44 180.19 2yrr h ASP 246 N 1.08 0.63 -0.78 -0.43 3.32 -0.88 -1.46 116.42 117.90 2yrr h ASP 246 Ca 0.25 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2yrr h ASP 246 Cb 0.20 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 2yrr h ASP 246 CO -0.02 0.49 0.35 0.25 -1.72 0.00 0.00 179.24 178.59 2yrr h LEU 247 N 0.72 1.04 0.07 1.55 5.85 -0.89 -0.61 115.31 123.05 2yrr h LEU 247 Ca 0.19 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2yrr h LEU 247 Cb -0.04 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.73 2yrr h LEU 247 CO -0.04 0.90 -0.04 0.58 -0.34 0.00 0.00 178.44 179.51 2yrr h VAL 248 N 1.11 0.97 0.00 1.05 2.07 -0.81 -2.62 116.25 118.03 2yrr h VAL 248 Ca 0.26 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.56 2yrr h VAL 248 Cb 0.16 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2yrr h VAL 248 CO -0.03 0.04 -0.39 -0.07 0.02 0.00 0.00 177.57 177.14 2yrr h LEU 249 N -0.16 0.00 -0.59 2.57 3.38 -1.13 0.14 115.31 119.52 2yrr h LEU 249 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2yrr h LEU 249 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2yrr h LEU 249 CO 0.02 0.39 0.11 -0.33 0.09 0.00 0.00 178.44 178.72 2yrr h GLU 250 N 0.00 0.97 0.06 1.13 5.08 -0.96 -3.01 114.58 117.85 2yrr h GLU 250 Ca -0.00 -0.25 -0.27 0.00 -1.00 0.00 0.00 59.36 57.84 2yrr h GLU 250 Cb 0.82 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.97 2yrr h GLU 250 CO 0.05 0.91 -1.11 1.49 -1.00 0.00 0.00 179.01 179.36 2yrr h GLU 251 N 0.88 0.53 0.00 2.33 4.81 -1.19 -3.51 114.58 118.43 2yrr h GLU 251 Ca 0.18 -0.65 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2yrr h GLU 251 Cb 0.40 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2yrr h GLU 251 CO 0.01 1.26 0.00 0.41 -0.73 0.00 0.00 179.01 179.96 2yrr n GLY 252 N 1.19 -1.42 0.28 1.92 0.00 0.48 -4.41 105.19 103.23 2yrr n GLY 252 Ca -0.10 -1.31 0.02 0.00 0.00 0.00 0.00 46.02 44.62 2yrr n GLY 252 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2yrr h VAL 253 N 0.00 1.16 -0.33 1.61 2.07 -1.90 -2.82 116.25 116.04 2yrr h VAL 253 Ca 0.00 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 66.99 2yrr h VAL 253 Cb 0.00 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2yrr h VAL 253 CO 0.00 0.20 0.18 0.00 0.02 0.00 0.00 177.57 177.97 2yrr h ALA 254 N 1.61 0.41 -0.17 1.67 0.00 -1.88 0.15 119.26 121.05 2yrr h ALA 254 Ca 0.12 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2yrr h ALA 254 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2yrr h ALA 254 CO -0.01 -0.18 -0.25 0.00 0.00 0.00 0.00 179.25 178.81 2yrr h ALA 255 N 1.15 1.25 -0.17 0.00 0.00 -1.73 -1.89 119.26 117.88 2yrr h ALA 255 Ca 0.13 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 2yrr h ALA 255 Cb 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2yrr h ALA 255 CO -0.07 0.50 -0.72 0.00 0.00 0.00 0.00 179.25 178.95 2yrr h ARG 256 N 0.28 0.79 -0.72 0.00 3.08 -1.19 -1.86 114.38 114.77 2yrr h ARG 256 Ca 0.04 -0.63 -0.02 0.00 0.07 0.00 0.00 59.98 59.45 2yrr h ARG 256 Cb 0.60 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 2yrr h ARG 256 CO 0.04 1.24 0.37 1.49 -1.07 0.00 0.00 179.97 182.03 2yrr h GLU 257 N 0.53 1.02 -0.05 0.04 4.81 -0.37 -1.71 114.58 118.85 2yrr h GLU 257 Ca -0.04 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2yrr h GLU 257 Cb 1.35 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 2yrr h GLU 257 CO 0.15 0.78 0.03 -0.09 -0.73 0.00 0.00 179.01 179.16 2yrr h ARG 258 N 0.99 0.07 -0.26 1.92 2.43 -1.28 -0.97 114.38 117.28 2yrr h ARG 258 Ca 0.25 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 2yrr h ARG 258 Cb 0.08 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 2yrr h ARG 258 CO -0.04 0.06 -0.14 0.00 -1.51 0.00 0.00 179.97 178.34 2yrr h ARG 259 N 0.06 -0.10 -0.11 0.20 3.08 -1.01 -1.47 114.38 115.03 2yrr h ARG 259 Ca 0.02 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2yrr h ARG 259 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2yrr h ARG 259 CO -0.00 -0.07 0.05 0.00 -1.07 0.00 0.00 179.97 178.87 2yrr h ALA 260 N 1.10 0.12 -0.31 0.04 0.00 -1.11 -2.55 119.26 116.56 2yrr h ALA 260 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2yrr h ALA 260 Cb 0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2yrr h ALA 260 CO -0.33 -0.41 0.20 0.00 0.00 0.00 0.00 179.25 178.71 2yrr h ARG 261 N 0.11 0.42 0.18 0.00 3.08 -0.93 0.52 114.38 117.75 2yrr h ARG 261 Ca 0.04 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2yrr h ARG 261 Cb 0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2yrr h ARG 261 CO -0.04 0.29 -0.14 1.49 -1.07 0.00 0.00 179.97 180.51 2yrr h GLU 262 N 0.42 -0.32 -0.77 0.04 4.81 -1.22 -1.85 114.58 115.69 2yrr h GLU 262 Ca 0.11 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2yrr h GLU 262 Cb -0.03 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2yrr h GLU 262 CO -0.02 -0.21 0.28 0.28 -0.73 0.00 0.00 179.01 178.61 2yrr h VAL 263 N -0.33 1.26 -0.01 0.32 2.07 -1.39 -2.54 116.25 115.63 2yrr h VAL 263 Ca -0.01 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.69 2yrr h VAL 263 Cb 0.30 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2yrr h VAL 263 CO -0.01 0.34 -0.24 0.22 0.02 0.00 0.00 177.57 177.90 2yrr h TYR 264 N 1.13 -0.64 0.37 1.57 3.20 -0.64 -0.57 116.97 121.39 2yrr h TYR 264 Ca 0.25 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 2yrr h TYR 264 Cb 0.25 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 2yrr h TYR 264 CO 0.02 -0.33 -0.51 0.00 -1.64 0.00 0.00 178.16 175.70 2yrr h ALA 265 N 0.48 -1.08 -0.73 1.82 0.00 -1.12 -1.33 119.26 117.29 2yrr h ALA 265 Ca 0.06 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2yrr h ALA 265 Cb 0.46 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 2yrr h ALA 265 CO -0.22 -1.16 0.46 2.35 0.00 0.00 0.00 179.25 180.68 2yrr h TRP 266 N -0.92 0.86 -0.43 0.00 7.01 -1.38 -2.12 115.95 118.96 2yrr h TRP 266 Ca -0.04 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 2yrr h TRP 266 Cb 0.83 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.59 2yrr h TRP 266 CO -0.32 0.49 0.27 0.28 -2.79 0.00 0.00 178.44 176.37 2yrr h VAL 267 N 0.89 1.13 -1.01 2.65 2.07 -0.95 -0.82 116.25 120.21 2yrr h VAL 267 Ca 0.29 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.54 2yrr h VAL 267 Cb 0.02 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 2yrr h VAL 267 CO -0.11 0.13 0.67 0.25 0.02 0.00 0.00 177.57 178.52 2yrr h LEU 268 N 0.58 1.16 -0.37 2.57 5.85 -0.92 0.13 115.31 124.31 2yrr h LEU 268 Ca 0.16 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2yrr h LEU 268 Cb -0.02 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 2yrr h LEU 268 CO -0.03 0.84 0.19 -0.33 -0.34 0.00 0.00 178.44 178.77 2yrr h GLU 269 N 1.37 0.52 -0.77 1.25 5.08 -0.74 0.45 114.58 121.72 2yrr h GLU 269 Ca 0.37 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2yrr h GLU 269 Cb -0.16 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 2yrr h GLU 269 CO -0.08 0.44 0.44 0.93 -1.00 0.00 0.00 179.01 179.74 2yrr h GLU 270 N 0.46 1.06 -0.33 2.33 4.39 -0.43 -1.56 114.58 120.51 2yrr h GLU 270 Ca 0.13 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 2yrr h GLU 270 Cb 0.08 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 2yrr h GLU 270 CO -0.02 0.76 -0.38 -0.07 -1.16 0.00 0.00 179.01 178.15 2yrr h LEU 271 N 1.07 0.90 -1.53 1.33 3.38 -0.34 -2.83 115.31 117.30 2yrr h LEU 271 Ca 0.28 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2yrr h LEU 271 Cb -0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2yrr h LEU 271 CO -0.05 1.20 -0.24 0.11 0.09 0.00 0.00 178.44 179.55 2yrr h LYS 272 N 0.62 0.00 0.00 1.13 1.57 -0.62 -0.13 116.57 119.14 2yrr h LYS 272 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2yrr h LYS 272 Cb 0.97 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 2yrr h LYS 272 CO 0.09 0.24 -0.12 0.00 -0.57 0.00 0.00 179.45 179.09 2yrr h ALA 273 N 1.76 1.55 -0.64 3.86 0.00 -1.04 -0.71 119.26 124.03 2yrr h ALA 273 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2yrr h ALA 273 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2yrr h ALA 273 CO 0.03 0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.98 2yrr n ARG 274 N -4.03 2.79 -0.60 0.00 1.74 -0.20 -4.94 116.66 111.42 2yrr n ARG 274 Ca -0.02 -2.43 0.00 0.00 -0.77 0.00 0.00 57.85 54.63 2yrr n ARG 274 Cb 0.21 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2yrr n ARG 274 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2yrr n GLY 275 N 1.42 0.77 3.82 -0.13 0.00 -0.27 -4.69 105.19 106.10 2yrr n GLY 275 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 2yrr n GLY 275 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yrr s PHE 276 N -2.83 3.10 -0.03 1.61 0.08 -0.39 -3.76 117.98 115.76 2yrr s PHE 276 Ca 0.00 1.44 0.02 0.00 0.12 0.00 0.00 56.93 58.50 2yrr s PHE 276 Cb 0.00 -2.90 0.01 0.00 -0.57 0.00 0.00 43.02 39.56 2yrr s PHE 276 CO 0.00 -1.19 -0.06 0.50 -0.10 0.00 0.00 175.22 174.37 2yrr s ARG 277 N -4.85 0.80 0.40 0.44 3.52 -0.10 -4.08 118.95 115.08 2yrr s ARG 277 Ca 0.59 -0.20 -0.27 0.00 -0.13 0.00 0.00 55.73 55.72 2yrr s ARG 277 Cb -0.14 -0.78 -0.10 0.00 -1.56 0.00 0.00 34.95 32.37 2yrr s ARG 277 CO 0.51 0.04 1.44 -1.25 -0.81 0.00 0.00 175.30 175.23 2yrr s PRO 278 N 0.41 3.99 -0.10 5.12 0.04 -1.26 0.38 135.00 143.58 2yrr s PRO 278 Ca -0.06 2.48 -0.28 0.00 0.04 0.00 0.00 61.00 63.18 2yrr s PRO 278 Cb -0.10 -2.87 -0.24 0.00 0.04 0.00 0.00 34.50 31.34 2yrr s PRO 278 CO 0.00 -0.59 0.94 -0.92 0.04 0.00 0.00 177.00 176.47 2yrr h TYR 279 N 2.80 -0.00 -3.42 0.56 3.20 -1.16 -3.44 116.97 115.51 2yrr h TYR 279 Ca -0.51 -0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.83 2yrr h TYR 279 Cb 1.25 0.00 0.08 0.00 1.54 0.00 0.00 36.73 39.60 2yrr h TYR 279 CO 0.52 0.80 0.84 -1.25 -1.64 0.00 0.00 178.16 177.44 2yrr s PRO 280 N -2.96 4.16 0.14 1.82 0.04 -1.26 -4.83 135.00 132.12 2yrr s PRO 280 Ca -0.18 2.51 0.23 0.00 0.04 0.00 0.00 61.00 63.61 2yrr s PRO 280 Cb -0.01 -3.04 0.18 0.00 0.04 0.00 0.00 34.50 31.68 2yrr s PRO 280 CO 0.68 -0.57 1.19 0.87 0.04 0.00 0.00 177.00 179.21 2yrr h LYS 281 N 4.66 0.00 -1.79 4.56 6.56 -1.06 -3.48 116.57 126.01 2yrr h LYS 281 Ca -0.47 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.24 2yrr h LYS 281 Cb 1.22 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 32.68 2yrr h LYS 281 CO 0.77 0.00 0.58 0.00 -2.06 0.00 0.00 179.45 178.74 2yrr s ALA 282 N -3.24 -1.92 -0.97 3.86 0.00 -1.24 -5.04 121.76 113.22 2yrr s ALA 282 Ca 0.04 1.39 -0.08 0.00 0.00 0.00 0.00 51.96 53.31 2yrr s ALA 282 Cb 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 2yrr s ALA 282 CO 0.75 -0.48 0.80 0.45 0.00 0.00 0.00 175.76 177.29 2yrr n SER 283 N 0.26 -6.53 -4.77 0.00 2.88 -1.26 -4.42 113.62 99.79 2yrr n SER 283 Ca -0.08 -0.63 -0.35 0.00 -1.33 0.00 0.00 58.87 56.48 2yrr n SER 283 Cb 0.59 -4.53 0.01 0.00 -0.75 0.00 0.00 64.21 59.54 2yrr n SER 283 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2yrr s PRO 284 N -4.44 3.21 -0.45 -1.46 0.04 -1.26 -0.74 135.00 129.90 2yrr s PRO 284 Ca 0.30 1.71 -0.22 0.00 0.04 0.00 0.00 61.00 62.83 2yrr s PRO 284 Cb -0.07 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.52 2yrr s PRO 284 CO 0.78 -0.99 0.71 -1.17 0.04 0.00 0.00 177.00 176.38 2yrr s LEU 285 N -3.89 4.40 0.58 -3.56 2.96 0.21 -4.28 118.68 115.09 2yrr s LEU 285 Ca 0.75 -0.26 0.29 0.00 -0.22 0.00 0.00 54.13 54.68 2yrr s LEU 285 Cb -0.27 -2.83 1.49 0.00 0.50 0.00 0.00 46.19 45.08 2yrr s LEU 285 CO 0.30 -0.86 1.93 -0.65 -1.32 0.00 0.00 176.35 175.75 2yrr h PRO 286 N 8.94 0.00 -0.00 0.98 0.11 -1.94 -1.99 132.00 138.09 2yrr h PRO 286 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2yrr h PRO 286 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2yrr h PRO 286 CO 0.93 0.00 -0.52 0.25 -0.21 0.00 0.00 178.00 178.45 2yrr n THR 287 N -3.84 0.00 -3.56 -1.15 -2.24 -1.26 -4.51 114.28 97.71 2yrr n THR 287 Ca 0.09 -0.06 -0.24 0.00 -2.27 0.00 0.00 64.05 61.56 2yrr n THR 287 Cb 0.65 0.54 -0.15 0.00 -2.10 0.00 0.00 70.33 69.27 2yrr n THR 287 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2yrr s VAL 288 N -2.81 -0.15 -0.39 2.28 1.01 -0.75 -0.40 120.40 119.20 2yrr s VAL 288 Ca 0.15 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 2yrr s VAL 288 Cb 0.18 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.90 2yrr s VAL 288 CO 0.67 -0.34 0.65 -0.22 0.00 0.00 0.00 175.10 175.86 2yrr s LEU 289 N 2.18 4.32 -0.21 3.92 2.96 -0.51 -4.49 118.68 126.86 2yrr s LEU 289 Ca 0.04 -0.00 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 2yrr s LEU 289 Cb -0.16 -2.79 -0.01 0.00 0.50 0.00 0.00 46.19 43.73 2yrr s LEU 289 CO -0.15 -0.67 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.48 2yrr s VAL 290 N 2.79 3.51 0.06 1.68 1.01 -1.26 -0.89 120.40 127.30 2yrr s VAL 290 Ca 0.24 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.80 2yrr s VAL 290 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2yrr s VAL 290 CO 0.17 0.43 -0.09 0.68 0.00 0.00 0.00 175.10 176.28 2yrr s VAL 291 N 1.28 0.71 -0.04 2.92 -7.23 -0.85 -0.57 120.40 116.62 2yrr s VAL 291 Ca 0.03 -1.24 -0.14 0.00 -1.81 0.00 0.00 61.98 58.82 2yrr s VAL 291 Cb -0.14 -0.85 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 2yrr s VAL 291 CO -0.01 -0.40 0.38 -0.13 -0.31 0.00 0.00 175.10 174.63 2yrr s ARG 292 N -1.88 3.94 1.04 4.82 0.52 0.16 -1.30 118.95 126.25 2yrr s ARG 292 Ca -0.05 0.34 -0.15 0.00 -0.52 0.00 0.00 55.73 55.35 2yrr s ARG 292 Cb -0.08 -3.26 0.21 0.00 0.52 0.00 0.00 34.95 32.34 2yrr s ARG 292 CO 0.00 0.61 1.13 -1.25 0.02 0.00 0.00 175.30 175.81 2yrr s PRO 293 N -0.78 0.06 0.56 3.54 0.04 -1.26 -0.92 135.00 136.23 2yrr s PRO 293 Ca 0.23 0.18 -0.20 0.00 0.04 0.00 0.00 61.00 61.24 2yrr s PRO 293 Cb -0.16 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2yrr s PRO 293 CO 0.11 -2.91 1.21 -2.14 0.04 0.00 0.00 177.00 173.32 2yrr s PRO 294 N -5.27 3.15 0.52 0.56 0.02 -1.25 -4.62 135.00 128.11 2yrr s PRO 294 Ca 0.68 1.85 -0.20 0.00 0.02 0.00 0.00 61.00 63.34 2yrr s PRO 294 Cb -0.13 -2.05 -0.09 0.00 0.02 0.00 0.00 34.50 32.25 2yrr s PRO 294 CO 0.56 -1.07 0.74 -0.85 -0.33 0.00 0.00 177.00 176.05 2yrr n GLU 295 N -1.32 0.80 -0.22 5.54 0.28 -1.26 -1.45 120.64 123.02 2yrr n GLU 295 Ca 0.12 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.42 2yrr n GLU 295 Cb 0.49 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.51 2yrr n GLU 295 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2yrr n GLY 296 N 1.53 2.35 3.38 -1.84 0.00 -1.26 -4.99 105.19 104.36 2yrr n GLY 296 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2yrr n GLY 296 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yrr s VAL 297 N -3.14 3.96 -0.07 1.61 1.01 -0.53 -5.07 120.40 118.16 2yrr s VAL 297 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 2yrr s VAL 297 Cb 0.00 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 2yrr s VAL 297 CO 0.00 0.27 1.14 -0.62 0.00 0.00 0.00 175.10 175.89 2yrr s ASP 298 N 1.54 7.11 0.12 3.32 2.15 -1.26 -4.68 116.67 124.97 2yrr s ASP 298 Ca 0.05 1.72 -0.19 0.00 0.43 0.00 0.00 52.55 54.56 2yrr s ASP 298 Cb -0.16 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.85 2yrr s ASP 298 CO 0.01 -0.55 1.75 0.00 -0.17 0.00 0.00 175.17 176.22 2yrr h ALA 299 N 7.36 0.32 -0.73 3.66 0.00 -1.90 -1.46 119.26 126.52 2yrr h ALA 299 Ca -0.33 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2yrr h ALA 299 Cb 1.15 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2yrr h ALA 299 CO 0.88 -0.18 0.24 -0.44 0.00 0.00 0.00 179.25 179.75 2yrr h ASP 300 N 0.32 1.05 -0.37 0.00 3.32 -1.86 -0.39 116.42 118.48 2yrr h ASP 300 Ca 0.09 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 2yrr h ASP 300 Cb 0.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2yrr h ASP 300 CO -0.02 0.97 0.07 0.03 -1.72 0.00 0.00 179.24 178.57 2yrr h ARG 301 N 1.07 0.70 -0.40 3.56 3.08 -1.95 -1.93 114.38 118.52 2yrr h ARG 301 Ca 0.24 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 2yrr h ARG 301 Cb 0.28 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2yrr h ARG 301 CO -0.01 0.67 -0.19 1.25 -1.07 0.00 0.00 179.97 180.62 2yrr h LEU 302 N 0.67 0.76 -0.34 3.04 5.85 -0.53 -0.65 115.31 124.12 2yrr h LEU 302 Ca 0.15 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2yrr h LEU 302 Cb 0.31 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2yrr h LEU 302 CO 0.00 0.94 0.17 0.58 -0.34 0.00 0.00 178.44 179.79 2yrr h VAL 303 N 0.67 1.16 -0.28 1.05 2.07 -0.51 -0.18 116.25 120.23 2yrr h VAL 303 Ca 0.10 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 2yrr h VAL 303 Cb 0.68 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2yrr h VAL 303 CO 0.05 0.16 -0.08 0.03 0.02 0.00 0.00 177.57 177.75 2yrr h ARG 304 N 0.41 0.45 -0.38 1.57 -0.00 -1.10 -1.68 114.38 113.65 2yrr h ARG 304 Ca 0.12 -0.11 -0.15 0.00 -0.50 0.00 0.00 59.98 59.33 2yrr h ARG 304 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.02 2yrr h ARG 304 CO -0.02 0.55 -0.37 0.00 0.00 0.00 0.00 179.97 180.13 2yrr h ALA 305 N 1.49 0.62 -0.60 0.04 0.00 -0.70 -2.17 119.26 117.93 2yrr h ALA 305 Ca 0.09 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2yrr h ALA 305 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2yrr h ALA 305 CO 0.02 0.68 0.25 -0.07 0.00 0.00 0.00 179.25 180.12 2yrr h LEU 306 N 0.75 0.83 -0.04 0.00 3.38 -0.68 -1.87 115.31 117.67 2yrr h LEU 306 Ca 0.06 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2yrr h LEU 306 Cb 0.95 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2yrr h LEU 306 CO 0.09 0.77 -0.11 0.22 0.09 0.00 0.00 178.44 179.50 2yrr h TYR 307 N 0.84 -0.28 -0.37 1.13 3.20 -0.88 0.57 116.97 121.17 2yrr h TYR 307 Ca 0.20 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.19 2yrr h TYR 307 Cb 0.19 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2yrr h TYR 307 CO 0.01 -0.17 0.27 0.00 -1.64 0.00 0.00 178.16 176.63 2yrr h ALA 308 N 0.84 2.34 -0.10 1.82 0.00 -1.16 0.42 119.26 123.43 2yrr h ALA 308 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2yrr h ALA 308 Cb 0.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2yrr h ALA 308 CO -0.14 -0.45 0.00 0.39 0.00 0.00 0.00 179.25 179.05 2yrr n GLU 309 N -4.43 1.33 -0.71 0.00 -0.58 0.05 -4.90 120.64 111.40 2yrr n GLU 309 Ca 0.06 -0.50 0.00 0.00 -0.42 0.00 0.00 57.16 56.29 2yrr n GLU 309 Cb 0.45 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 2yrr n GLU 309 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2yrr n GLY 310 N 0.89 0.57 2.91 0.62 0.00 0.15 -4.92 105.19 105.40 2yrr n GLY 310 Ca 0.12 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 2yrr n GLY 310 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yrr s VAL 311 N -2.00 0.83 -0.25 1.61 1.01 -0.34 -1.41 120.40 119.84 2yrr s VAL 311 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 2yrr s VAL 311 Cb 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 2yrr s VAL 311 CO 0.00 0.31 0.17 0.00 0.00 0.00 0.00 175.10 175.58 2yrr s ALA 312 N 1.26 3.56 0.27 5.51 0.00 0.75 -2.29 121.76 130.82 2yrr s ALA 312 Ca -0.05 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2yrr s ALA 312 Cb -0.14 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 2yrr s ALA 312 CO -0.02 -0.32 0.09 0.14 0.00 0.00 0.00 175.76 175.64 2yrr s VAL 313 N 1.31 0.68 0.10 0.00 -7.23 -1.26 0.17 120.40 114.17 2yrr s VAL 313 Ca 0.07 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.27 2yrr s VAL 313 Cb -0.14 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2yrr s VAL 313 CO 0.07 0.00 0.15 0.00 -0.31 0.00 0.00 175.10 175.01 2yrr s ALA 314 N -3.65 3.75 0.44 1.32 0.00 -1.05 -4.82 121.76 117.75 2yrr s ALA 314 Ca 0.37 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2yrr s ALA 314 Cb 0.08 -1.58 0.03 0.00 0.00 0.00 0.00 23.12 21.65 2yrr s ALA 314 CO 0.14 0.70 0.22 0.41 0.00 0.00 0.00 175.76 177.24 2yrr n GLY 315 N 0.13 0.80 3.65 0.00 0.00 -1.26 -0.04 105.19 108.48 2yrr n GLY 315 Ca -0.07 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 2yrr n GLY 315 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yrr s GLY 316 N -2.97 1.56 -0.08 -0.02 0.00 -1.09 -4.46 107.32 100.26 2yrr s GLY 316 Ca 0.15 -0.50 -0.17 0.00 0.00 0.00 0.00 44.72 44.21 2yrr s GLY 316 CO 0.10 0.18 0.40 -1.50 0.00 0.00 0.00 173.10 172.28 2yrr s ILE 317 N -2.97 0.03 0.00 0.90 2.07 -1.25 -4.32 121.20 115.65 2yrr s ILE 317 Ca 0.67 -0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.68 2yrr s ILE 317 Cb -0.17 -0.65 0.00 0.00 0.13 0.00 0.00 42.46 41.77 2yrr s ILE 317 CO 0.57 -0.12 0.00 0.61 -1.91 0.00 0.00 174.94 174.09 2yrr n GLY 318 N 1.88 3.68 0.28 1.50 0.00 -1.26 -2.21 105.19 109.06 2yrr n GLY 318 Ca -0.18 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 45.94 2yrr n GLY 318 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrr h PRO 319 N 0.00 0.00 -0.52 1.61 0.13 -1.93 -2.65 132.00 128.65 2yrr h PRO 319 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2yrr h PRO 319 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2yrr h PRO 319 CO 0.00 0.05 0.00 0.25 -0.23 0.00 0.00 178.00 178.07 2yrr n THR 320 N -3.74 0.69 -1.67 1.56 -2.24 -0.94 -4.95 114.28 102.99 2yrr n THR 320 Ca -0.02 -0.85 -0.53 0.00 -2.27 0.00 0.00 64.05 60.38 2yrr n THR 320 Cb 0.15 0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 69.13 2yrr n THR 320 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2yrr n ARG 321 N 1.54 1.48 -0.87 -0.78 3.00 -1.00 -0.86 116.66 119.18 2yrr n ARG 321 Ca 0.21 0.54 0.00 0.00 -0.00 0.00 0.00 57.85 58.60 2yrr n ARG 321 Cb 0.61 -2.25 0.00 0.00 0.00 0.00 0.00 32.46 30.82 2yrr n ARG 321 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2yrr n GLY 322 N 3.70 0.49 0.00 5.14 0.00 -1.26 -4.82 105.19 108.43 2yrr n GLY 322 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.30 2yrr n GLY 322 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yrr n GLN 323 N -1.78 2.16 -4.22 1.61 6.02 -0.04 -4.35 117.38 116.78 2yrr n GLN 323 Ca 0.00 -0.04 -0.17 0.00 -0.01 0.00 0.00 57.00 56.78 2yrr n GLN 323 Cb 0.07 -1.13 -0.07 0.00 1.02 0.00 0.00 30.24 30.13 2yrr n GLN 323 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2yrr s VAL 324 N -2.36 0.00 -0.09 5.09 -7.23 -1.21 -4.35 120.40 110.25 2yrr s VAL 324 Ca 0.01 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.34 2yrr s VAL 324 Cb 0.08 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 2yrr s VAL 324 CO 0.48 0.00 -0.21 -0.76 -0.31 0.00 0.00 175.10 174.30 2yrr s LEU 325 N -3.31 2.28 -0.28 1.32 1.02 -0.42 -2.68 118.68 116.59 2yrr s LEU 325 Ca 0.38 -0.47 -0.01 0.00 0.02 0.00 0.00 54.13 54.05 2yrr s LEU 325 Cb 0.02 -1.46 0.05 0.00 0.02 0.00 0.00 46.19 44.82 2yrr s LEU 325 CO 0.24 0.20 -0.03 -0.13 0.02 0.00 0.00 176.35 176.65 2yrr s ARG 326 N 0.13 2.47 -0.25 1.70 0.52 0.94 -2.01 118.95 122.45 2yrr s ARG 326 Ca -0.11 -1.23 -0.10 0.00 -0.52 0.00 0.00 55.73 53.77 2yrr s ARG 326 Cb -0.16 -3.10 -0.05 0.00 0.52 0.00 0.00 34.95 32.17 2yrr s ARG 326 CO 0.06 -0.57 0.15 -0.51 0.02 0.00 0.00 175.30 174.45 2yrr s LEU 327 N 1.24 3.99 0.10 2.53 1.43 -0.07 -2.52 118.68 125.39 2yrr s LEU 327 Ca -0.05 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 2yrr s LEU 327 Cb -0.19 -2.08 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 2yrr s LEU 327 CO -0.02 0.03 1.05 -0.83 0.23 0.00 0.00 176.35 176.81 2yrr s GLY 328 N 1.27 2.82 -0.21 -3.19 0.00 0.65 -1.42 107.32 107.25 2yrr s GLY 328 Ca 0.07 0.69 0.17 0.00 0.00 0.00 0.00 44.72 45.66 2yrr s GLY 328 CO 0.06 1.68 1.16 1.04 0.00 0.00 0.00 173.10 177.04 2yrr n LEU 329 N 3.10 2.54 -4.65 0.66 4.77 0.46 -4.35 117.00 119.54 2yrr n LEU 329 Ca 0.04 -3.41 -0.35 0.00 -0.03 0.00 0.00 56.01 52.26 2yrr n LEU 329 Cb 0.48 0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 2yrr n LEU 329 CO 0.53 1.27 -0.31 -0.04 -1.33 0.00 0.00 177.39 177.51 2yrr s MET 330 N -2.88 3.23 6.77 3.23 -1.94 -1.21 -4.31 119.30 122.19 2yrr s MET 330 Ca 0.37 -0.42 0.00 0.00 -1.71 0.00 0.00 55.69 53.93 2yrr s MET 330 Cb 0.37 -2.87 0.00 0.00 2.01 0.00 0.00 34.83 34.34 2yrr s MET 330 CO -0.05 0.57 0.00 0.41 -0.01 0.00 0.00 175.02 175.94 2yrr n GLY 331 N 2.56 3.64 0.00 -0.03 0.00 -1.22 -1.49 105.19 108.65 2yrr n GLY 331 Ca -0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.94 2yrr n GLY 331 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yrr n GLU 332 N 14.00 0.37 0.12 1.61 -0.58 -1.26 -2.74 120.64 132.15 2yrr n GLU 332 Ca 0.00 0.07 -0.03 0.00 -0.42 0.00 0.00 57.16 56.79 2yrr n GLU 332 Cb 0.00 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.46 2yrr n GLU 332 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2yrr h GLY 333 N 3.32 0.00 -5.77 0.62 0.00 -1.53 -3.35 103.07 96.36 2yrr h GLY 333 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 2yrr h GLY 333 CO 0.00 0.00 3.30 0.00 0.00 0.00 0.00 176.54 179.84 2yrr n ALA 334 N -2.39 6.00 -3.21 3.60 0.00 -1.11 -4.68 120.51 118.72 2yrr n ALA 334 Ca -0.01 -3.78 -0.20 0.00 0.00 0.00 0.00 53.44 49.45 2yrr n ALA 334 Cb 0.70 -3.50 -0.16 0.00 0.00 0.00 0.00 19.45 16.50 2yrr n ALA 334 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2yrr s ARG 335 N 2.98 0.85 0.14 0.00 1.81 -1.26 -4.66 118.95 118.81 2yrr s ARG 335 Ca 0.53 -0.22 -0.20 0.00 -1.72 0.00 0.00 55.73 54.11 2yrr s ARG 335 Cb 0.15 -0.81 -0.00 0.00 -0.45 0.00 0.00 34.95 33.83 2yrr s ARG 335 CO -0.08 0.05 1.68 -0.09 -0.68 0.00 0.00 175.30 176.18 2yrr h ARG 336 N 6.61 -0.08 -0.87 3.54 2.43 -1.94 -2.47 114.38 121.60 2yrr h ARG 336 Ca -0.34 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.89 2yrr h ARG 336 Cb 1.17 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.68 2yrr h ARG 336 CO 0.49 -0.05 0.55 0.93 -1.51 0.00 0.00 179.97 180.37 2yrr h GLU 337 N -0.08 0.99 -0.33 0.20 5.08 -1.97 -1.79 114.58 116.67 2yrr h GLU 337 Ca 0.11 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2yrr h GLU 337 Cb 0.25 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2yrr h GLU 337 CO -0.26 0.65 0.17 0.00 -1.00 0.00 0.00 179.01 178.57 2yrr h ALA 338 N 1.39 0.40 0.00 3.43 0.00 -1.80 -2.26 119.26 120.42 2yrr h ALA 338 Ca 0.37 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2yrr h ALA 338 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2yrr h ALA 338 CO -0.15 -0.21 0.00 1.88 0.00 0.00 0.00 179.25 180.77 2yrr h TYR 339 N 0.35 0.00 -0.16 0.00 -1.99 -1.09 -1.55 116.97 112.53 2yrr h TYR 339 Ca 0.14 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.69 2yrr h TYR 339 Cb 0.04 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.77 2yrr h TYR 339 CO -0.09 0.00 -0.64 1.96 -0.00 0.00 0.00 178.16 179.39 2yrr h GLN 340 N 0.00 0.57 -0.20 4.88 4.20 -0.99 -1.99 115.11 121.58 2yrr h GLN 340 Ca 0.00 -0.40 -0.15 0.00 0.06 0.00 0.00 58.65 58.16 2yrr h GLN 340 Cb 0.78 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 2yrr h GLN 340 CO 0.00 1.02 -0.49 0.00 -0.67 0.00 0.00 178.83 178.70 2yrr h ALA 341 N 0.88 0.79 -0.29 3.87 0.00 -1.16 -2.78 119.26 120.56 2yrr h ALA 341 Ca -0.01 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.45 2yrr h ALA 341 Cb 1.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2yrr h ALA 341 CO 0.12 0.67 0.11 0.35 0.00 0.00 0.00 179.25 180.49 2yrr h PHE 342 N 0.42 0.19 -0.39 0.00 3.57 -1.00 -1.75 116.94 117.97 2yrr h PHE 342 Ca 0.02 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2yrr h PHE 342 Cb 1.00 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2yrr h PHE 342 CO 0.04 0.09 0.16 -0.07 -2.23 0.00 0.00 178.31 176.30 2yrr h LEU 343 N 0.24 0.54 -0.98 0.59 3.38 -1.29 0.35 115.31 118.14 2yrr h LEU 343 Ca 0.13 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2yrr h LEU 343 Cb 0.09 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 2yrr h LEU 343 CO -0.13 0.56 0.64 0.11 0.09 0.00 0.00 178.44 179.72 2yrr h LYS 344 N 0.49 1.20 -0.32 1.13 1.57 -1.34 0.13 116.57 119.44 2yrr h LYS 344 Ca 0.13 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 2yrr h LYS 344 Cb 0.19 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2yrr h LYS 344 CO -0.01 0.79 -0.19 0.00 -0.57 0.00 0.00 179.45 179.47 2yrr h ALA 345 N 1.40 0.45 -0.73 3.86 0.00 -0.90 -2.65 119.26 120.69 2yrr h ALA 345 Ca 0.39 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2yrr h ALA 345 Cb 0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2yrr h ALA 345 CO -0.13 0.39 0.44 1.25 0.00 0.00 0.00 179.25 181.20 2yrr h LEU 346 N 0.45 0.68 -0.93 0.00 5.85 0.59 -0.37 115.31 121.59 2yrr h LEU 346 Ca 0.07 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2yrr h LEU 346 Cb 0.74 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2yrr h LEU 346 CO 0.05 0.45 0.26 0.44 -0.34 0.00 0.00 178.44 179.30 2yrr h ASP 347 N 0.82 0.96 -0.51 1.25 3.32 -0.66 0.11 116.42 121.71 2yrr h ASP 347 Ca 0.31 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 2yrr h ASP 347 Cb 0.13 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2yrr h ASP 347 CO -0.16 0.87 0.07 0.03 -1.72 0.00 0.00 179.24 178.33 2yrr h ARG 348 N 1.01 0.90 -0.29 3.56 3.08 -0.98 -2.13 114.38 119.53 2yrr h ARG 348 Ca 0.23 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 2yrr h ARG 348 Cb 0.22 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2yrr h ARG 348 CO -0.02 0.85 0.03 0.00 -1.07 0.00 0.00 179.97 179.76 2yrr h ALA 349 N 1.22 0.39 0.00 0.04 0.00 -0.10 -3.04 119.26 117.78 2yrr h ALA 349 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2yrr h ALA 349 Cb 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2yrr h ALA 349 CO 0.01 0.11 -0.03 -0.07 0.00 0.00 0.00 179.25 179.27 2yrr h LEU 350 N 0.31 0.00 -0.35 0.00 3.38 -0.62 -2.69 115.31 115.33 2yrr h LEU 350 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2yrr h LEU 350 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2yrr h LEU 350 CO 0.01 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.57 2yrr h ALA 351 N 1.97 1.00 -0.01 1.53 0.00 -1.27 -3.51 119.26 118.98 2yrr h ALA 351 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2yrr h ALA 351 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2yrr h ALA 351 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53