#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yrr s ALA 3 N 0.00 1.67 -0.24 -3.48 0.00 0.12 -0.64 121.76 119.19 1yrr s ALA 3 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 1yrr s ALA 3 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1yrr s ALA 3 CO 0.00 0.36 0.40 -0.51 0.00 0.00 0.00 175.76 176.01 1yrr s LEU 4 N -0.24 4.08 0.29 0.00 1.43 0.28 -0.26 118.68 124.27 1yrr s LEU 4 Ca 0.02 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 1yrr s LEU 4 Cb -0.10 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1yrr s LEU 4 CO 0.01 -0.16 0.15 0.42 0.23 0.00 0.00 176.35 177.00 1yrr s THR 5 N 1.83 0.37 -0.72 5.49 -4.23 -1.03 -1.83 115.64 115.53 1yrr s THR 5 Ca 0.17 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.64 1yrr s THR 5 Cb -0.15 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1yrr s THR 5 CO 0.09 0.00 0.62 0.00 -0.54 0.00 0.00 174.62 174.79 1yrr n GLN 6 N -0.56 -4.20 -3.07 3.99 6.02 -1.26 0.18 117.38 118.48 1yrr n GLN 6 Ca 0.01 0.44 -0.07 0.00 -0.01 0.00 0.00 57.00 57.37 1yrr n GLN 6 Cb 0.65 -4.31 0.01 0.00 1.02 0.00 0.00 30.24 27.62 1yrr n GLN 6 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1yrr n GLY 7 N -1.29 1.42 3.61 1.08 0.00 -1.26 -0.97 105.19 107.77 1yrr n GLY 7 Ca -0.01 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1yrr n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yrr s ARG 8 N -2.14 3.91 -0.26 1.61 0.52 -0.80 -4.52 118.95 117.28 1yrr s ARG 8 Ca 0.13 0.48 -0.10 0.00 -0.52 0.00 0.00 55.73 55.72 1yrr s ARG 8 Cb -0.03 -3.74 -0.05 0.00 0.52 0.00 0.00 34.95 31.65 1yrr s ARG 8 CO 0.10 -0.69 0.16 0.42 0.02 0.00 0.00 175.30 175.32 1yrr s ILE 9 N 2.91 5.24 -0.31 1.52 1.01 -0.84 -0.06 121.20 130.67 1yrr s ILE 9 Ca 0.31 0.14 -0.10 0.00 0.00 0.00 0.00 60.65 61.00 1yrr s ILE 9 Cb -0.14 -3.47 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 1yrr s ILE 9 CO 0.13 0.30 0.16 0.12 0.00 0.00 0.00 174.94 175.65 1yrr s PHE 10 N 1.41 3.18 -0.86 3.97 5.36 0.53 -0.40 117.98 131.17 1yrr s PHE 10 Ca 0.07 -0.55 0.26 0.00 -0.96 0.00 0.00 56.93 55.75 1yrr s PHE 10 Cb -0.15 -2.36 0.76 0.00 -0.34 0.00 0.00 43.02 40.93 1yrr s PHE 10 CO 0.07 -0.45 1.63 0.25 -1.46 0.00 0.00 175.22 175.26 1yrr n THR 11 N 4.99 0.21 0.00 0.12 -2.24 -0.35 -4.25 114.28 112.76 1yrr n THR 11 Ca -0.14 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1yrr n THR 11 Cb 0.49 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1yrr n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yrr n GLY 12 N 1.42 2.67 0.01 3.38 0.00 -1.26 -1.51 105.19 109.89 1yrr n GLY 12 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1yrr n GLY 12 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1yrr n HIS 13 N -0.72 0.00 -3.68 1.61 8.25 -1.26 -4.90 115.22 114.52 1yrr n HIS 13 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1yrr n HIS 13 Cb 0.00 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 1yrr n HIS 13 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1yrr s GLU 14 N -2.11 1.47 -0.03 -0.41 -1.05 -1.26 -5.14 118.70 110.17 1yrr s GLU 14 Ca -0.01 -0.78 -0.12 0.00 -0.15 0.00 0.00 54.97 53.91 1yrr s GLU 14 Cb 0.01 0.57 -0.05 0.00 -0.44 0.00 0.00 34.13 34.22 1yrr s GLU 14 CO 0.09 -0.65 0.32 -0.06 0.95 0.00 0.00 175.26 175.92 1yrr s PHE 15 N -3.85 3.68 -0.06 4.83 0.08 -1.26 -1.21 117.98 120.19 1yrr s PHE 15 Ca 0.07 0.84 0.05 0.00 0.12 0.00 0.00 56.93 58.01 1yrr s PHE 15 Cb -0.02 -2.17 -0.01 0.00 -0.57 0.00 0.00 43.02 40.25 1yrr s PHE 15 CO -0.03 0.67 -0.22 -0.51 -0.10 0.00 0.00 175.22 175.02 1yrr s LEU 16 N -1.12 2.02 0.07 -0.37 1.43 0.46 -4.98 118.68 116.20 1yrr s LEU 16 Ca 0.22 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1yrr s LEU 16 Cb -0.15 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1yrr s LEU 16 CO 0.11 0.20 0.05 -1.81 0.23 0.00 0.00 176.35 175.13 1yrr s ASP 17 N 0.00 5.35 -1.46 2.29 1.01 -1.26 -1.98 116.67 120.61 1yrr s ASP 17 Ca -0.07 -0.05 -0.10 0.00 0.71 0.00 0.00 52.55 53.04 1yrr s ASP 17 Cb -0.14 -1.39 0.05 0.00 1.01 0.00 0.00 42.92 42.45 1yrr s ASP 17 CO 0.04 0.19 0.88 0.47 0.21 0.00 0.00 175.17 176.96 1yrr n ASP 18 N 0.61 -5.33 -4.74 0.27 8.00 -1.26 -4.97 116.55 109.12 1yrr n ASP 18 Ca -0.10 -0.56 -0.31 0.00 0.71 0.00 0.00 54.79 54.53 1yrr n ASP 18 Cb 0.52 -4.27 -0.08 0.00 -0.02 0.00 0.00 41.12 37.27 1yrr n ASP 18 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1yrr s HIS 19 N -3.22 2.05 0.03 1.24 3.76 -1.26 -2.32 115.29 115.57 1yrr s HIS 19 Ca 0.53 -0.86 -0.00 0.00 -0.15 0.00 0.00 55.06 54.58 1yrr s HIS 19 Cb -0.26 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.71 1yrr s HIS 19 CO 0.66 0.23 -0.03 0.00 -0.85 0.00 0.00 174.74 174.75 1yrr s ALA 20 N -2.81 0.27 -0.24 -1.40 0.00 0.12 -4.36 121.76 113.34 1yrr s ALA 20 Ca 0.17 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1yrr s ALA 20 Cb 0.03 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.38 1yrr s ALA 20 CO 0.09 -0.23 -0.08 0.08 0.00 0.00 0.00 175.76 175.62 1yrr s VAL 21 N -2.34 2.67 -0.12 0.00 1.01 -0.76 -1.78 120.40 119.09 1yrr s VAL 21 Ca -0.08 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 1yrr s VAL 21 Cb -0.04 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1yrr s VAL 21 CO -0.04 0.19 0.39 -0.69 0.00 0.00 0.00 175.10 174.94 1yrr s VAL 22 N 1.28 5.21 -0.04 2.92 1.01 -0.48 -0.56 120.40 129.75 1yrr s VAL 22 Ca -0.01 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.78 1yrr s VAL 22 Cb -0.17 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 1yrr s VAL 22 CO -0.05 0.40 -0.16 -0.63 0.00 0.00 0.00 175.10 174.65 1yrr s ILE 23 N 0.26 1.37 -0.24 2.22 1.01 0.19 -1.34 121.20 124.67 1yrr s ILE 23 Ca 0.22 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 1yrr s ILE 23 Cb -0.14 -1.18 0.07 0.00 0.01 0.00 0.00 42.46 41.22 1yrr s ILE 23 CO 0.08 0.40 0.61 0.00 0.00 0.00 0.00 174.94 176.02 1yrr s ALA 24 N 0.03 -1.58 -1.32 9.38 0.00 -0.00 -1.64 121.76 126.62 1yrr s ALA 24 Ca -0.03 2.00 -0.00 0.00 0.00 0.00 0.00 51.96 53.92 1yrr s ALA 24 Cb -0.11 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1yrr s ALA 24 CO 0.02 -0.33 0.67 -0.25 0.00 0.00 0.00 175.76 175.88 1yrr n ASP 25 N 3.74 -1.14 0.00 0.00 8.00 -1.26 -1.89 116.55 124.00 1yrr n ASP 25 Ca -0.18 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1yrr n ASP 25 Cb 0.57 -3.94 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 1yrr n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yrr n GLY 26 N -1.62 0.26 3.32 0.44 0.00 -1.25 -4.99 105.19 101.35 1yrr n GLY 26 Ca -0.29 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 1yrr n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yrr s LEU 27 N 0.00 2.34 -0.34 0.99 1.43 -0.79 -1.55 118.68 120.76 1yrr s LEU 27 Ca 0.00 -0.74 -0.29 0.00 -1.03 0.00 0.00 54.13 52.07 1yrr s LEU 27 Cb 0.00 -0.94 -0.00 0.00 0.03 0.00 0.00 46.19 45.28 1yrr s LEU 27 CO 0.00 0.06 1.43 -0.63 0.23 0.00 0.00 176.35 177.44 1yrr s ILE 28 N -1.36 3.93 -0.03 -0.59 1.01 -0.42 -0.82 121.20 122.92 1yrr s ILE 28 Ca 0.10 1.00 -0.21 0.00 0.00 0.00 0.00 60.65 61.55 1yrr s ILE 28 Cb -0.09 -4.08 -0.31 0.00 0.01 0.00 0.00 42.46 37.99 1yrr s ILE 28 CO 0.05 -0.57 0.94 0.50 0.00 0.00 0.00 174.94 175.86 1yrr h LYS 29 N 10.35 0.36 -3.18 2.79 3.64 -1.50 0.46 116.57 129.50 1yrr h LYS 29 Ca -0.28 -0.57 -0.04 0.00 -1.27 0.00 0.00 60.65 58.48 1yrr h LYS 29 Cb 1.11 0.21 -0.13 0.00 -0.41 0.00 0.00 32.23 33.02 1yrr h LYS 29 CO 1.05 1.26 0.07 -1.54 -2.27 0.00 0.00 179.45 178.02 1yrr s SER 30 N -7.05 -0.40 -0.21 4.20 1.04 -1.17 -4.52 113.70 105.59 1yrr s SER 30 Ca -0.13 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.17 1yrr s SER 30 Cb 0.02 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.71 1yrr s SER 30 CO 0.85 -0.90 -0.10 -0.69 0.98 0.00 0.00 173.24 173.38 1yrr s VAL 31 N -3.70 1.71 0.12 5.02 1.01 -1.26 -1.38 120.40 121.91 1yrr s VAL 31 Ca 0.02 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 1yrr s VAL 31 Cb 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1yrr s VAL 31 CO -0.12 0.14 0.15 0.00 0.00 0.00 0.00 175.10 175.27 1yrr n PRO 33 N -0.10 1.98 0.28 0.00 -0.02 -1.26 0.14 135.00 136.02 1yrr n PRO 33 Ca -0.09 0.70 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 1yrr n PRO 33 Cb 0.63 -2.30 0.82 0.00 -0.02 0.00 0.00 33.50 32.62 1yrr n PRO 33 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1yrr h VAL 34 N 2.31 0.63 -0.85 -1.45 2.07 -1.73 -1.11 116.25 116.13 1yrr h VAL 34 Ca -0.46 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1yrr h VAL 34 Cb 1.29 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 1yrr h VAL 34 CO 0.61 0.04 0.55 0.00 0.02 0.00 0.00 177.57 178.79 1yrr h ALA 35 N 1.96 1.09 0.00 1.67 0.00 -1.90 -2.64 119.26 119.44 1yrr h ALA 35 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1yrr h ALA 35 Cb 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1yrr h ALA 35 CO 0.01 0.43 0.00 0.39 0.00 0.00 0.00 179.25 180.07 1yrr n GLU 36 N -4.53 0.70 -2.34 0.00 1.02 -0.42 -4.87 120.64 110.20 1yrr n GLU 36 Ca 0.10 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.83 1yrr n GLU 36 Cb 0.05 -1.19 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 1yrr n GLU 36 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1yrr s LEU 37 N -1.37 4.45 0.44 -4.62 2.96 -1.00 -5.00 118.68 114.54 1yrr s LEU 37 Ca 0.12 2.28 -0.25 0.00 -0.22 0.00 0.00 54.13 56.06 1yrr s LEU 37 Cb 0.06 -3.61 -0.09 0.00 0.50 0.00 0.00 46.19 43.05 1yrr s LEU 37 CO 0.10 -0.39 1.31 -2.65 -1.32 0.00 0.00 176.35 173.39 1yrr n PRO 38 N 2.43 1.97 -2.22 0.98 -0.02 -1.26 -4.94 135.00 131.94 1yrr n PRO 38 Ca 0.04 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.82 1yrr n PRO 38 Cb 0.44 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1yrr n PRO 38 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yrr s PRO 39 N -2.33 4.42 0.00 0.52 0.02 -1.26 -2.95 135.00 133.42 1yrr s PRO 39 Ca 0.62 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.72 1yrr s PRO 39 Cb -0.48 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 30.89 1yrr s PRO 39 CO 0.57 -0.15 0.00 -1.91 -0.33 0.00 0.00 177.00 175.18 1yrr n GLU 40 N 1.64 0.00 -1.74 5.54 4.07 -1.26 -4.99 120.64 123.89 1yrr n GLU 40 Ca 0.02 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.71 1yrr n GLU 40 Cb 0.43 -3.24 -0.01 0.00 -0.06 0.00 0.00 31.44 28.56 1yrr n GLU 40 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1yrr n ILE 41 N -2.00 1.72 -2.00 6.31 3.06 -1.15 -4.96 119.36 120.33 1yrr n ILE 41 Ca 0.00 -0.43 -0.42 0.00 -2.50 0.00 0.00 62.75 59.40 1yrr n ILE 41 Cb 0.00 -1.84 -0.03 0.00 0.54 0.00 0.00 39.64 38.31 1yrr n ILE 41 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1yrr s GLU 42 N -1.60 4.25 -0.11 9.51 2.12 -1.26 -4.94 118.70 126.66 1yrr s GLU 42 Ca 0.57 2.27 -0.02 0.00 0.36 0.00 0.00 54.97 58.16 1yrr s GLU 42 Cb -0.51 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 1yrr s GLU 42 CO 0.59 -0.56 -0.05 -0.65 -0.54 0.00 0.00 175.26 174.05 1yrr s GLN 43 N 1.18 3.25 -0.27 4.30 -0.21 -1.26 -0.70 119.66 125.95 1yrr s GLN 43 Ca 0.69 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.57 1yrr s GLN 43 Cb -0.42 -2.77 0.06 0.00 1.00 0.00 0.00 33.01 30.89 1yrr s GLN 43 CO 0.31 0.45 -0.10 1.03 -2.12 0.00 0.00 175.29 174.86 1yrr s ARG 44 N -0.21 2.17 0.34 2.91 1.81 0.65 -4.94 118.95 121.68 1yrr s ARG 44 Ca 0.03 -1.39 -0.29 0.00 -1.72 0.00 0.00 55.73 52.36 1yrr s ARG 44 Cb -0.13 -2.92 -0.11 0.00 -0.45 0.00 0.00 34.95 31.35 1yrr s ARG 44 CO 0.02 -0.60 1.41 0.45 -0.68 0.00 0.00 175.30 175.90 1yrr s SER 45 N 1.08 6.56 0.31 0.23 0.15 -1.26 -2.47 113.70 118.30 1yrr s SER 45 Ca -0.07 2.85 0.22 0.00 0.70 0.00 0.00 55.95 59.65 1yrr s SER 45 Cb -0.20 -2.65 0.15 0.00 -1.71 0.00 0.00 66.02 61.60 1yrr s SER 45 CO -0.05 -0.71 1.30 -0.07 1.20 0.00 0.00 173.24 174.91 1yrr h LEU 46 N 3.49 0.00 -0.98 3.45 3.38 -0.43 -3.47 115.31 120.76 1yrr h LEU 46 Ca -0.49 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.17 1yrr h LEU 46 Cb 1.23 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.09 1yrr h LEU 46 CO 0.67 0.04 -0.54 0.59 0.09 0.00 0.00 178.44 179.29 1yrr n ASN 47 N -2.89 -5.05 0.00 -0.43 3.02 -1.17 -2.36 115.26 106.39 1yrr n ASN 47 Ca 0.01 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1yrr n ASN 47 Cb 0.56 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 1yrr n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yrr n GLY 48 N -1.62 0.42 3.79 7.41 0.00 -0.14 -5.04 105.19 110.00 1yrr n GLY 48 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1yrr n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrr s ALA 49 N -1.95 2.37 -0.02 4.61 0.00 -0.99 -4.63 121.76 121.14 1yrr s ALA 49 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 51.96 51.89 1yrr s ALA 49 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1yrr s ALA 49 CO 0.00 -1.59 0.59 0.42 0.00 0.00 0.00 175.76 175.18 1yrr s ILE 50 N -2.98 4.95 -0.13 0.00 1.09 0.14 -1.90 121.20 122.37 1yrr s ILE 50 Ca 0.60 1.24 -0.03 0.00 -1.10 0.00 0.00 60.65 61.36 1yrr s ILE 50 Cb -0.16 -3.93 -0.03 0.00 -1.06 0.00 0.00 42.46 37.28 1yrr s ILE 50 CO 0.56 0.39 -0.04 -0.22 -0.10 0.00 0.00 174.94 175.52 1yrr s LEU 51 N 0.00 3.25 0.12 2.97 2.96 0.91 -1.48 118.68 127.43 1yrr s LEU 51 Ca 0.31 -0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.18 1yrr s LEU 51 Cb -0.18 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1yrr s LEU 51 CO 0.17 0.22 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.75 1yrr s SER 52 N 0.06 1.75 0.80 3.68 0.15 0.11 -0.35 113.70 119.90 1yrr s SER 52 Ca -0.00 -0.89 -0.15 0.00 0.70 0.00 0.00 55.95 55.61 1yrr s SER 52 Cb -0.13 -0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.17 1yrr s SER 52 CO 0.03 -0.25 0.72 -2.65 1.20 0.00 0.00 173.24 172.29 1yrr n PRO 53 N 0.26 0.16 -2.26 5.44 -0.02 -1.26 -1.43 135.00 135.89 1yrr n PRO 53 Ca -0.14 0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 61.07 1yrr n PRO 53 Cb 0.59 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 1yrr n PRO 53 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1yrr s GLY 54 N -1.78 2.87 0.44 -1.23 0.00 -0.31 -4.26 107.32 103.05 1yrr s GLY 54 Ca 0.66 1.00 -0.24 0.00 0.00 0.00 0.00 44.72 46.15 1yrr s GLY 54 CO 0.57 1.52 1.18 -1.36 0.00 0.00 0.00 173.10 175.01 1yrr s PHE 55 N -1.40 2.91 -0.22 1.90 0.08 -0.49 -4.66 117.98 116.09 1yrr s PHE 55 Ca 0.58 1.53 0.02 0.00 0.12 0.00 0.00 56.93 59.18 1yrr s PHE 55 Cb -0.32 -3.41 0.04 0.00 -0.57 0.00 0.00 43.02 38.77 1yrr s PHE 55 CO 0.40 -1.52 -0.15 0.42 -0.10 0.00 0.00 175.22 174.27 1yrr s ILE 56 N -1.49 2.13 -0.40 0.64 1.01 -0.24 -1.03 121.20 121.82 1yrr s ILE 56 Ca 0.62 -1.33 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 1yrr s ILE 56 Cb -0.30 -2.10 0.06 0.00 0.01 0.00 0.00 42.46 40.13 1yrr s ILE 56 CO 0.37 0.22 0.22 -0.62 0.00 0.00 0.00 174.94 175.13 1yrr s ASP 57 N 1.18 5.62 0.00 3.58 -1.08 -0.45 -4.74 116.67 120.78 1yrr s ASP 57 Ca -0.03 -1.32 0.12 0.00 -0.52 0.00 0.00 52.55 50.80 1yrr s ASP 57 Cb -0.17 -1.98 0.40 0.00 -1.46 0.00 0.00 42.92 39.71 1yrr s ASP 57 CO -0.09 -0.47 1.31 1.33 0.52 0.00 0.00 175.17 177.77 1yrr n VAL 58 N 4.92 0.36 -3.36 1.11 0.24 -1.26 -2.44 118.33 117.90 1yrr n VAL 58 Ca -0.11 -0.38 -0.15 0.00 -2.04 0.00 0.00 64.34 61.66 1yrr n VAL 58 Cb 0.44 0.22 -0.08 0.00 -1.47 0.00 0.00 33.84 32.95 1yrr n VAL 58 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1yrr s GLN 59 N -1.64 0.46 -0.10 7.34 2.00 -1.26 -4.71 119.66 121.74 1yrr s GLN 59 Ca 0.23 -0.34 -0.04 0.00 -2.00 0.00 0.00 55.36 53.21 1yrr s GLN 59 Cb 0.12 -0.60 0.05 0.00 0.80 0.00 0.00 33.01 33.38 1yrr s GLN 59 CO 0.17 -1.09 0.22 -1.17 -0.50 0.00 0.00 175.29 172.91 1yrr s LEU 60 N 2.07 0.05 -0.19 3.68 2.96 -1.24 -0.96 118.68 125.04 1yrr s LEU 60 Ca 0.12 0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 54.43 1yrr s LEU 60 Cb -0.14 0.56 -0.21 0.00 0.50 0.00 0.00 46.19 46.90 1yrr s LEU 60 CO -0.22 -0.21 0.10 0.59 -1.32 0.00 0.00 176.35 175.28 1yrr n ASN 61 N 4.94 2.03 -3.50 3.68 3.02 -0.50 -1.21 115.26 123.72 1yrr n ASN 61 Ca -0.13 0.16 -0.09 0.00 -0.03 0.00 0.00 54.58 54.49 1yrr n ASN 61 Cb 0.51 -0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 38.90 1yrr n ASN 61 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1yrr s GLY 62 N -5.73 -0.47 0.10 7.41 0.00 -0.78 -3.14 107.32 104.71 1yrr s GLY 62 Ca -0.29 1.07 -0.27 0.00 0.00 0.00 0.00 44.72 45.24 1yrr s GLY 62 CO 0.66 0.41 1.01 0.00 0.00 0.00 0.00 173.10 175.19 1yrr n GLY 64 N -0.44 1.49 1.61 0.00 0.00 -1.26 -2.04 105.19 104.54 1yrr n GLY 64 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1yrr n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yrr n GLY 65 N -0.75 0.70 3.21 -0.02 0.00 -1.26 -4.97 105.19 102.10 1yrr n GLY 65 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 1yrr n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yrr s VAL 66 N -2.37 1.14 0.09 1.61 -7.23 -0.87 -5.16 120.40 107.60 1yrr s VAL 66 Ca 0.00 -1.71 0.08 0.00 -1.81 0.00 0.00 61.98 58.54 1yrr s VAL 66 Cb 0.00 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 1yrr s VAL 66 CO 0.00 -0.51 -0.21 -1.10 -0.31 0.00 0.00 175.10 172.97 1yrr s GLN 67 N -2.82 1.21 -0.79 4.82 -1.52 -1.26 -1.39 119.66 117.91 1yrr s GLN 67 Ca 0.08 -1.11 -0.06 0.00 -1.95 0.00 0.00 55.36 52.32 1yrr s GLN 67 Cb -0.03 -1.45 -0.04 0.00 -0.22 0.00 0.00 33.01 31.27 1yrr s GLN 67 CO 0.01 0.35 2.93 0.34 -0.25 0.00 0.00 175.29 178.67 1yrr n PHE 68 N 1.28 1.61 -3.33 0.91 7.35 -1.19 -4.72 117.46 119.38 1yrr n PHE 68 Ca -0.19 -2.28 0.00 0.00 -0.76 0.00 0.00 57.45 54.22 1yrr n PHE 68 Cb 0.53 -1.77 0.00 0.00 0.35 0.00 0.00 39.48 38.59 1yrr n PHE 68 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1yrr n ASN 69 N 2.04 0.00 0.00 -2.13 3.02 -1.26 -4.56 115.26 112.36 1yrr n ASN 69 Ca 0.57 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 1yrr n ASN 69 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1yrr n ASN 69 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1yrr n ASP 70 N 0.94 0.00 0.00 6.41 9.92 -1.26 -4.70 116.55 127.85 1yrr n ASP 70 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1yrr n ASP 70 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1yrr n ASP 70 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1yrr n THR 71 N 0.00 0.00 -0.08 -3.53 -2.24 -1.26 -5.11 114.28 102.07 1yrr n THR 71 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1yrr n THR 71 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1yrr n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yrr n ALA 72 N -3.00 1.82 0.82 6.98 0.00 -1.26 -4.70 120.51 121.18 1yrr n ALA 72 Ca 0.00 -0.62 0.09 0.00 0.00 0.00 0.00 53.44 52.91 1yrr n ALA 72 Cb 0.00 0.22 0.45 0.00 0.00 0.00 0.00 19.45 20.13 1yrr n ALA 72 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1yrr n GLU 73 N -3.28 0.19 0.27 0.00 -0.00 -1.26 -2.88 120.64 113.68 1yrr n GLU 73 Ca -0.28 0.13 0.15 0.00 -0.00 0.00 0.00 57.16 57.16 1yrr n GLU 73 Cb 0.75 -1.50 0.76 0.00 -0.00 0.00 0.00 31.44 31.45 1yrr n GLU 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1yrr h ALA 74 N 2.82 1.12 -1.36 -1.84 0.00 -1.84 -3.38 119.26 114.78 1yrr h ALA 74 Ca 0.00 -0.08 -0.63 0.00 0.00 0.00 0.00 54.91 54.20 1yrr h ALA 74 Cb 0.22 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.87 1yrr h ALA 74 CO 0.00 0.11 1.31 0.08 0.00 0.00 0.00 179.25 180.75 1yrr s VAL 75 N -3.97 4.19 0.20 0.00 1.01 -1.14 -4.57 120.40 116.12 1yrr s VAL 75 Ca -0.02 -1.07 -0.21 0.00 0.00 0.00 0.00 61.98 60.69 1yrr s VAL 75 Cb 0.12 -4.98 0.05 0.00 0.00 0.00 0.00 36.38 31.57 1yrr s VAL 75 CO 0.55 -1.81 0.62 -0.94 0.00 0.00 0.00 175.10 173.53 1yrr s SER 76 N 4.52 -0.42 0.20 3.32 1.04 -1.26 -4.94 113.70 116.17 1yrr s SER 76 Ca 0.42 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.50 1yrr s SER 76 Cb -0.01 0.63 0.14 0.00 0.10 0.00 0.00 66.02 66.88 1yrr s SER 76 CO -0.09 -1.10 1.70 0.58 0.98 0.00 0.00 173.24 175.31 1yrr h VAL 77 N 2.04 1.26 -0.69 5.02 2.07 -1.90 -2.33 116.25 121.71 1yrr h VAL 77 Ca -0.29 -1.04 0.09 0.00 0.82 0.00 0.00 66.70 66.29 1yrr h VAL 77 Cb 1.28 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 1yrr h VAL 77 CO 0.33 0.39 0.35 -0.08 0.02 0.00 0.00 177.57 178.58 1yrr h GLU 78 N 1.01 0.58 -0.56 1.57 4.81 -1.96 -1.14 114.58 118.89 1yrr h GLU 78 Ca 0.20 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1yrr h GLU 78 Cb 0.44 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1yrr h GLU 78 CO 0.01 0.38 0.36 1.15 -0.73 0.00 0.00 179.01 180.19 1yrr h THR 79 N 0.60 1.15 -0.27 0.32 2.02 -1.67 -1.57 112.91 113.48 1yrr h THR 79 Ca 0.34 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 1yrr h THR 79 Cb 0.34 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1yrr h THR 79 CO -0.26 0.15 -0.14 -0.07 0.37 0.00 0.00 175.52 175.58 1yrr h LEU 80 N 0.76 0.45 -0.23 2.58 3.38 -1.20 -1.59 115.31 119.45 1yrr h LEU 80 Ca 0.20 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1yrr h LEU 80 Cb -0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1yrr h LEU 80 CO -0.04 0.61 -0.05 -0.33 0.09 0.00 0.00 178.44 178.72 1yrr h GLU 81 N 0.43 0.45 -0.70 1.13 5.08 -0.87 -2.03 114.58 118.06 1yrr h GLU 81 Ca 0.08 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1yrr h GLU 81 Cb 0.49 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1yrr h GLU 81 CO 0.03 0.67 0.35 0.82 -1.00 0.00 0.00 179.01 179.88 1yrr h ILE 82 N 0.19 1.23 -0.56 3.13 2.04 -1.13 -2.01 117.51 120.40 1yrr h ILE 82 Ca 0.06 -0.62 -0.06 0.00 1.00 0.00 0.00 64.86 65.24 1yrr h ILE 82 Cb 0.51 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1yrr h ILE 82 CO 0.02 0.26 0.11 0.24 0.00 0.00 0.00 178.15 178.78 1yrr h MET 83 N 0.97 0.91 -0.25 2.37 2.86 -1.27 -1.41 114.93 119.11 1yrr h MET 83 Ca 0.24 -0.24 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1yrr h MET 83 Cb 0.10 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.59 1yrr h MET 83 CO -0.03 0.87 -0.11 0.37 1.06 0.00 0.00 176.91 179.06 1yrr h GLN 84 N 0.81 -0.07 -0.58 1.72 5.75 -1.18 0.10 115.11 121.66 1yrr h GLN 84 Ca 0.17 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.60 1yrr h GLN 84 Cb 0.38 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1yrr h GLN 84 CO 0.01 -0.05 0.08 0.87 -2.65 0.00 0.00 178.83 177.08 1yrr h LYS 85 N -0.08 0.97 -0.36 1.69 1.57 -1.20 -1.01 116.57 118.15 1yrr h LYS 85 Ca 0.13 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1yrr h LYS 85 Cb 0.28 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1yrr h LYS 85 CO -0.31 0.93 0.17 0.00 -0.57 0.00 0.00 179.45 179.67 1yrr h ALA 86 N 1.00 0.47 -1.00 3.86 0.00 -1.07 -3.15 119.26 119.37 1yrr h ALA 86 Ca 0.17 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1yrr h ALA 86 Cb 0.44 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1yrr h ALA 86 CO 0.01 0.04 0.63 -0.91 0.00 0.00 0.00 179.25 179.03 1yrr h ASN 87 N 0.45 0.98 -0.50 0.00 2.35 -0.41 -2.22 115.58 116.22 1yrr h ASN 87 Ca 0.12 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1yrr h ASN 87 Cb 0.14 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1yrr h ASN 87 CO -0.01 0.58 0.33 -0.33 -1.65 0.00 0.00 177.43 176.35 1yrr h GLU 88 N 1.08 0.66 0.00 0.81 5.08 -0.86 -0.94 114.58 120.41 1yrr h GLU 88 Ca 0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1yrr h GLU 88 Cb 0.32 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1yrr h GLU 88 CO -0.22 0.44 0.00 0.87 -1.00 0.00 0.00 179.01 179.10 1yrr h LYS 89 N 0.68 0.00 -0.12 2.33 1.57 -1.42 -1.17 116.57 118.44 1yrr h LYS 89 Ca 0.19 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1yrr h LYS 89 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1yrr h LYS 89 CO -0.04 0.00 -0.10 -1.13 -0.57 0.00 0.00 179.45 177.61 1yrr n SER 90 N -2.86 2.63 0.00 0.86 3.41 -0.61 -4.82 113.62 112.23 1yrr n SER 90 Ca -0.02 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 1yrr n SER 90 Cb 0.12 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1yrr n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yrr n GLY 91 N -1.11 1.15 3.53 5.00 0.00 -0.44 -3.08 105.19 110.25 1yrr n GLY 91 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1yrr n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrr n THR 93 N 5.86 0.30 -3.79 0.00 -2.24 -0.20 -2.45 114.28 111.76 1yrr n THR 93 Ca -0.01 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1yrr n THR 93 Cb 0.48 -0.03 -0.12 0.00 -2.10 0.00 0.00 70.33 68.56 1yrr n THR 93 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1yrr s ASN 94 N -4.16 -0.25 0.24 3.42 -0.87 -1.03 -4.43 114.94 107.86 1yrr s ASN 94 Ca 0.05 0.49 -0.17 0.00 -1.57 0.00 0.00 52.86 51.66 1yrr s ASN 94 Cb 0.14 0.50 0.01 0.00 -0.02 0.00 0.00 41.25 41.88 1yrr s ASN 94 CO 0.75 -0.09 0.58 -0.72 -2.57 0.00 0.00 177.10 175.04 1yrr s TYR 95 N 0.10 0.02 -0.25 2.20 -0.85 -1.19 -1.35 117.35 116.05 1yrr s TYR 95 Ca -0.00 -0.41 0.01 0.00 -0.52 0.00 0.00 57.07 56.14 1yrr s TYR 95 Cb -0.02 0.43 0.04 0.00 0.38 0.00 0.00 41.96 42.80 1yrr s TYR 95 CO 0.00 -1.05 -0.10 -0.51 -1.52 0.00 0.00 175.55 172.37 1yrr s LEU 96 N -2.94 3.18 0.36 -3.49 1.43 -1.02 -0.77 118.68 115.42 1yrr s LEU 96 Ca 0.14 -1.10 -0.27 0.00 -1.03 0.00 0.00 54.13 51.88 1yrr s LEU 96 Cb -0.03 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.52 1yrr s LEU 96 CO 0.05 -0.14 1.15 -2.16 0.23 0.00 0.00 176.35 175.48 1yrr s PRO 97 N 1.22 4.27 -0.10 1.29 0.04 -1.25 -3.72 135.00 136.75 1yrr s PRO 97 Ca -0.03 1.84 -0.22 0.00 0.04 0.00 0.00 61.00 62.62 1yrr s PRO 97 Cb -0.18 -2.85 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 1yrr s PRO 97 CO -0.06 -0.13 0.67 0.99 0.04 0.00 0.00 177.00 178.50 1yrr s THR 98 N -1.34 5.06 -0.34 1.26 2.01 -0.35 -1.04 115.64 120.91 1yrr s THR 98 Ca 0.53 1.35 -0.03 0.00 0.31 0.00 0.00 61.69 63.85 1yrr s THR 98 Cb -0.31 -4.00 0.07 0.00 0.01 0.00 0.00 72.50 68.26 1yrr s THR 98 CO 0.40 0.23 0.07 -0.22 -0.69 0.00 0.00 174.62 174.41 1yrr s LEU 99 N 0.98 4.34 -0.44 4.42 2.96 0.58 -4.57 118.68 126.95 1yrr s LEU 99 Ca 0.35 -1.48 -0.17 0.00 -0.22 0.00 0.00 54.13 52.61 1yrr s LEU 99 Cb -0.17 -1.76 0.04 0.00 0.50 0.00 0.00 46.19 44.79 1yrr s LEU 99 CO 0.16 -0.35 0.45 0.27 -1.32 0.00 0.00 176.35 175.56 1yrr s ILE 100 N 1.24 5.09 0.12 6.68 -4.36 -1.26 -1.46 121.20 127.25 1yrr s ILE 100 Ca -0.01 -0.54 -0.20 0.00 -0.26 0.00 0.00 60.65 59.64 1yrr s ILE 100 Cb -0.21 -4.09 0.05 0.00 1.25 0.00 0.00 42.46 39.47 1yrr s ILE 100 CO -0.01 -0.51 0.51 0.28 0.24 0.00 0.00 174.94 175.44 1yrr s THR 101 N 2.09 0.03 -0.51 8.37 -1.32 -1.24 -4.95 115.64 118.11 1yrr s THR 101 Ca 0.10 -0.28 0.07 0.00 -1.21 0.00 0.00 61.69 60.38 1yrr s THR 101 Cb -0.19 -1.06 0.20 0.00 -1.51 0.00 0.00 72.50 69.95 1yrr s THR 101 CO 0.12 -0.15 1.17 0.35 -2.21 0.00 0.00 174.62 173.89 1yrr n THR 102 N -0.14 1.11 -3.04 5.08 -2.24 -1.26 -3.93 114.28 109.86 1yrr n THR 102 Ca -0.17 -1.10 -0.42 0.00 -2.27 0.00 0.00 64.05 60.10 1yrr n THR 102 Cb 0.63 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 1yrr n THR 102 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1yrr s SER 103 N -1.12 6.50 0.18 3.42 0.15 -1.26 -4.96 113.70 116.61 1yrr s SER 103 Ca 0.16 0.28 -0.16 0.00 0.70 0.00 0.00 55.95 56.94 1yrr s SER 103 Cb 0.09 -2.36 0.15 0.00 -1.71 0.00 0.00 66.02 62.20 1yrr s SER 103 CO 0.09 -0.64 1.65 0.44 1.20 0.00 0.00 173.24 175.98 1yrr h ASP 104 N 8.43 -0.48 -0.88 5.45 5.19 -2.00 -2.21 116.42 129.92 1yrr h ASP 104 Ca -0.26 0.15 0.08 0.00 -0.62 0.00 0.00 57.03 56.39 1yrr h ASP 104 Cb 1.10 0.31 -0.07 0.00 0.18 0.00 0.00 39.33 40.86 1yrr h ASP 104 CO 0.87 -0.17 0.53 -0.33 -3.12 0.00 0.00 179.24 177.02 1yrr h GLU 105 N -0.01 0.90 -0.05 3.56 4.39 -1.99 0.31 114.58 121.70 1yrr h GLU 105 Ca 0.24 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.79 1yrr h GLU 105 Cb 0.37 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1yrr h GLU 105 CO -0.51 0.60 -0.41 1.25 -1.16 0.00 0.00 179.01 178.77 1yrr h LEU 106 N 0.93 0.10 -0.33 1.33 5.85 -1.84 -1.11 115.31 120.24 1yrr h LEU 106 Ca 0.40 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.94 1yrr h LEU 106 Cb 0.28 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1yrr h LEU 106 CO -0.21 0.51 -0.34 0.24 -0.34 0.00 0.00 178.44 178.30 1yrr h MET 107 N 0.09 0.82 -0.42 1.25 2.86 -0.69 -0.49 114.93 118.34 1yrr h MET 107 Ca 0.01 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1yrr h MET 107 Cb 0.77 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1yrr h MET 107 CO 0.06 1.07 0.27 0.87 1.06 0.00 0.00 176.91 180.24 1yrr h LYS 108 N 0.60 0.56 -0.13 1.72 1.57 -0.60 -0.58 116.57 119.72 1yrr h LYS 108 Ca 0.05 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 1yrr h LYS 108 Cb 0.93 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.12 1yrr h LYS 108 CO 0.08 0.38 -0.57 0.37 -0.57 0.00 0.00 179.45 179.15 1yrr h GLN 109 N 0.58 0.61 -0.96 3.15 4.15 -0.89 -2.65 115.11 119.10 1yrr h GLN 109 Ca 0.15 -0.49 0.01 0.00 0.77 0.00 0.00 58.65 59.10 1yrr h GLN 109 Cb -0.05 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 1yrr h GLN 109 CO -0.03 1.11 0.63 0.78 -1.93 0.00 0.00 178.83 179.39 1yrr h GLY 110 N 0.26 1.35 0.84 2.39 0.00 -0.40 -1.32 103.07 106.20 1yrr h GLY 110 Ca -0.03 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1yrr h GLY 110 CO 0.12 0.48 0.00 -2.08 0.00 0.00 0.00 176.54 175.06 1yrr h VAL 111 N 1.28 1.13 -0.19 4.60 2.07 -1.07 0.19 116.25 124.27 1yrr h VAL 111 Ca 0.36 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 1yrr h VAL 111 Cb -0.12 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1yrr h VAL 111 CO -0.08 0.10 -0.31 0.08 0.02 0.00 0.00 177.57 177.37 1yrr h ARG 112 N -0.14 0.37 -0.53 1.57 -0.00 -1.25 -1.31 114.38 113.09 1yrr h ARG 112 Ca 0.00 -0.15 -0.06 0.00 -0.00 0.00 0.00 59.98 59.77 1yrr h ARG 112 Cb 0.16 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.10 1yrr h ARG 112 CO -0.00 0.65 0.10 0.28 -0.00 0.00 0.00 179.97 181.01 1yrr h VAL 113 N 0.33 1.25 -0.46 0.08 2.07 -1.08 -1.39 116.25 117.04 1yrr h VAL 113 Ca 0.04 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1yrr h VAL 113 Cb 0.72 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1yrr h VAL 113 CO 0.05 0.33 0.25 -0.03 0.02 0.00 0.00 177.57 178.20 1yrr h MET 114 N 0.75 0.64 -0.89 1.57 1.85 -0.38 -0.29 114.93 118.19 1yrr h MET 114 Ca 0.16 -0.07 0.05 0.00 -0.61 0.00 0.00 59.70 59.22 1yrr h MET 114 Cb 0.38 -0.13 -0.06 0.00 0.43 0.00 0.00 31.60 32.22 1yrr h MET 114 CO 0.01 0.50 0.57 -0.09 -0.40 0.00 0.00 176.91 177.50 1yrr h ARG 115 N 0.60 1.04 -0.10 0.39 2.43 -1.07 0.11 114.38 117.79 1yrr h ARG 115 Ca 0.16 -0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 59.06 1yrr h ARG 115 Cb 0.05 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1yrr h ARG 115 CO -0.03 0.69 -0.75 0.93 -1.51 0.00 0.00 179.97 179.31 1yrr h GLU 116 N 1.08 0.69 -0.32 0.20 4.39 -0.92 -2.73 114.58 116.96 1yrr h GLU 116 Ca 0.37 -0.60 0.04 0.00 0.34 0.00 0.00 59.36 59.50 1yrr h GLU 116 Cb 0.07 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1yrr h GLU 116 CO -0.14 1.21 0.09 -0.92 -1.16 0.00 0.00 179.01 178.09 1yrr h TYR 117 N 0.37 0.16 -0.66 4.33 3.20 -0.72 -2.68 116.97 120.96 1yrr h TYR 117 Ca -0.06 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.87 1yrr h TYR 117 Cb 1.39 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.60 1yrr h TYR 117 CO 0.10 0.06 0.44 -0.07 -1.64 0.00 0.00 178.16 177.05 1yrr h LEU 118 N 0.22 0.65 -0.78 2.82 3.38 -0.62 0.94 115.31 121.93 1yrr h LEU 118 Ca 0.15 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1yrr h LEU 118 Cb 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1yrr h LEU 118 CO -0.17 0.44 -0.47 0.00 0.09 0.00 0.00 178.44 178.33 1yrr h ALA 119 N 1.62 0.95 0.00 1.53 0.00 -1.32 -3.19 119.26 118.85 1yrr h ALA 119 Ca 0.27 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1yrr h ALA 119 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1yrr h ALA 119 CO -0.08 0.65 -0.68 -0.22 0.00 0.00 0.00 179.25 178.92 1yrr h LYS 120 N 0.26 0.00 -1.64 0.00 3.64 -0.82 -3.44 116.57 114.58 1yrr h LYS 120 Ca 0.02 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.00 1yrr h LYS 120 Cb 0.93 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.47 1yrr h LYS 120 CO 0.08 0.21 -0.78 0.72 -2.27 0.00 0.00 179.45 177.41 1yrr n HIS 121 N -2.99 -2.12 -2.40 1.91 8.25 0.18 -5.10 115.22 112.94 1yrr n HIS 121 Ca -0.00 -2.51 -0.36 0.00 -0.26 0.00 0.00 57.72 54.59 1yrr n HIS 121 Cb 0.66 0.75 -0.02 0.00 1.12 0.00 0.00 29.99 32.49 1yrr n HIS 121 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1yrr s PRO 122 N 0.27 3.88 -1.27 -0.41 0.04 -1.25 -4.05 135.00 132.21 1yrr s PRO 122 Ca 0.32 1.61 -0.05 0.00 0.04 0.00 0.00 61.00 62.93 1yrr s PRO 122 Cb 0.06 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1yrr s PRO 122 CO -0.14 -0.41 1.09 0.09 0.04 0.00 0.00 177.00 177.67 1yrr n ASN 123 N -0.46 -4.35 0.00 6.66 3.02 -1.26 -4.90 115.26 113.97 1yrr n ASN 123 Ca 0.07 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1yrr n ASN 123 Cb 0.49 -5.03 0.00 0.00 -0.61 0.00 0.00 39.78 34.64 1yrr n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yrr n GLN 124 N -4.56 0.00 -1.91 3.52 6.02 -1.26 -4.82 117.38 114.38 1yrr n GLN 124 Ca -0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.44 1yrr n GLN 124 Cb 0.61 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.84 1yrr n GLN 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yrr s ALA 125 N -2.00 3.63 -0.20 -1.58 0.00 -1.26 -3.17 121.76 117.17 1yrr s ALA 125 Ca 0.00 1.10 0.22 0.00 0.00 0.00 0.00 51.96 53.28 1yrr s ALA 125 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1yrr s ALA 125 CO 0.00 -1.35 0.97 1.28 0.00 0.00 0.00 175.76 176.66 1yrr n LEU 126 N 6.79 0.80 0.00 0.00 4.77 0.05 -4.91 117.00 124.50 1yrr n LEU 126 Ca 0.17 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1yrr n LEU 126 Cb 0.42 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1yrr n LEU 126 CO 0.64 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1yrr n GLY 127 N 1.22 0.61 3.80 -0.72 0.00 -1.26 -4.92 105.19 103.92 1yrr n GLY 127 Ca -0.02 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1yrr n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yrr s LEU 128 N 0.00 4.23 -0.36 0.99 1.43 -0.64 -3.87 118.68 120.47 1yrr s LEU 128 Ca 0.00 1.69 -0.02 0.00 -1.03 0.00 0.00 54.13 54.77 1yrr s LEU 128 Cb 0.00 -4.06 0.09 0.00 0.03 0.00 0.00 46.19 42.25 1yrr s LEU 128 CO 0.00 -0.12 0.11 -2.28 0.23 0.00 0.00 176.35 174.29 1yrr s HIS 129 N -1.75 3.48 -0.25 0.29 5.65 -0.20 -1.30 115.29 121.22 1yrr s HIS 129 Ca 0.52 -2.25 -0.20 0.00 0.25 0.00 0.00 55.06 53.37 1yrr s HIS 129 Cb -0.16 -2.78 -0.02 0.00 -1.18 0.00 0.00 32.58 28.45 1yrr s HIS 129 CO 0.20 -0.90 0.63 -0.51 -0.65 0.00 0.00 174.74 173.51 1yrr s LEU 130 N 1.17 4.07 -0.46 8.88 1.43 -0.11 -0.31 118.68 133.35 1yrr s LEU 130 Ca 0.03 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1yrr s LEU 130 Cb -0.21 -2.85 0.12 0.00 0.03 0.00 0.00 46.19 43.28 1yrr s LEU 130 CO -0.03 -0.36 0.21 -0.70 0.23 0.00 0.00 176.35 175.70 1yrr s GLU 131 N 2.42 1.90 0.00 1.70 2.12 -0.53 -1.01 118.70 125.30 1yrr s GLU 131 Ca 0.26 -2.23 0.00 0.00 0.36 0.00 0.00 54.97 53.36 1yrr s GLU 131 Cb -0.16 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.85 1yrr s GLU 131 CO 0.09 -1.06 0.00 0.41 -0.54 0.00 0.00 175.26 174.16 1yrr n GLY 132 N 3.79 4.22 0.37 -1.50 0.00 -1.22 -3.58 105.19 107.26 1yrr n GLY 132 Ca 0.04 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.62 1yrr n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yrr n PRO 133 N -1.93 1.00 -1.65 1.61 -0.04 -1.25 -4.87 135.00 127.87 1yrr n PRO 133 Ca 0.00 -0.74 -0.34 0.00 -0.04 0.00 0.00 63.50 62.38 1yrr n PRO 133 Cb 0.00 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 31.94 1yrr n PRO 133 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1yrr n TRP 134 N -0.36 2.08 -4.08 0.54 8.01 -1.26 -4.90 117.44 117.48 1yrr n TRP 134 Ca 0.10 -2.55 -0.24 0.00 -1.31 0.00 0.00 57.50 53.50 1yrr n TRP 134 Cb 0.41 -1.84 -0.05 0.00 -2.01 0.00 0.00 31.31 27.83 1yrr n TRP 134 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1yrr s LEU 135 N -1.49 3.88 -0.77 -0.99 1.43 -1.26 -0.91 118.68 118.57 1yrr s LEU 135 Ca 0.60 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 1yrr s LEU 135 Cb 0.24 -2.46 0.31 0.00 0.03 0.00 0.00 46.19 44.32 1yrr s LEU 135 CO -0.11 0.02 1.21 -3.20 0.23 0.00 0.00 176.35 174.50 1yrr n ASN 136 N -0.73 5.36 0.00 2.29 2.85 -0.07 -4.94 115.26 120.02 1yrr n ASN 136 Ca -0.08 -3.61 0.00 0.00 -0.11 0.00 0.00 54.58 50.78 1yrr n ASN 136 Cb 0.56 -0.83 0.00 0.00 1.24 0.00 0.00 39.78 40.75 1yrr n ASN 136 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1yrr n ALA 153 N 0.21 0.00 -0.24 5.20 0.00 -1.26 -4.60 120.51 119.81 1yrr n ALA 153 Ca 0.34 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.71 1yrr n ALA 153 Cb 0.35 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.84 1yrr n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yrr h ALA 154 N 0.31 0.89 -0.30 0.00 0.00 -2.06 -3.18 119.26 114.91 1yrr h ALA 154 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1yrr h ALA 154 Cb 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 1yrr h ALA 154 CO 0.00 0.54 -0.12 1.25 0.00 0.00 0.00 179.25 180.92 1yrr h LEU 155 N 0.98 -0.42 -0.26 0.00 5.85 -2.03 -2.07 115.31 117.36 1yrr h LEU 155 Ca 0.22 0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.08 1yrr h LEU 155 Cb 0.27 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1yrr h LEU 155 CO -0.01 -0.15 0.07 0.58 -0.34 0.00 0.00 178.44 178.59 1yrr h VAL 156 N -0.07 0.91 -0.42 1.05 2.07 -1.99 -1.41 116.25 116.39 1yrr h VAL 156 Ca 0.15 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 1yrr h VAL 156 Cb 0.30 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1yrr h VAL 156 CO -0.35 0.03 -0.01 0.44 0.02 0.00 0.00 177.57 177.70 1yrr h ASP 157 N 0.18 0.66 -0.24 0.57 5.19 -1.57 -0.10 116.42 121.12 1yrr h ASP 157 Ca 0.12 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1yrr h ASP 157 Cb 0.10 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 1yrr h ASP 157 CO -0.13 0.74 0.13 0.15 -3.12 0.00 0.00 179.24 177.00 1yrr h PHE 158 N 0.65 0.33 -0.55 4.55 3.57 -0.65 0.26 116.94 125.09 1yrr h PHE 158 Ca 0.13 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1yrr h PHE 158 Cb 0.43 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1yrr h PHE 158 CO 0.02 0.29 0.37 -0.07 -2.23 0.00 0.00 178.31 176.69 1yrr h LEU 159 N 0.27 0.64 -0.45 0.59 3.38 -0.97 -1.88 115.31 116.89 1yrr h LEU 159 Ca 0.08 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1yrr h LEU 159 Cb 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1yrr h LEU 159 CO -0.01 0.46 0.29 0.00 0.09 0.00 0.00 178.44 179.27 1yrr h GLU 161 N 0.60 0.35 -0.56 0.00 4.81 -0.06 -2.63 114.58 117.09 1yrr h GLU 161 Ca 0.16 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.16 1yrr h GLU 161 Cb -0.06 -0.08 -0.13 0.00 0.63 0.00 0.00 28.75 29.11 1yrr h GLU 161 CO -0.04 0.23 0.17 0.09 -0.73 0.00 0.00 179.01 178.73 1yrr n ASN 162 N -4.47 3.66 0.22 1.04 3.02 -0.41 -4.62 115.26 113.70 1yrr n ASN 162 Ca 0.07 -3.44 0.15 0.00 -0.03 0.00 0.00 54.58 51.33 1yrr n ASN 162 Cb 0.30 -0.69 0.78 0.00 -0.61 0.00 0.00 39.78 39.57 1yrr n ASN 162 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yrr h ALA 163 N 1.64 1.88 0.00 5.41 0.00 -1.05 -1.86 119.26 125.28 1yrr h ALA 163 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1yrr h ALA 163 Cb 2.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1yrr h ALA 163 CO 0.58 -0.19 0.00 0.38 0.00 0.00 0.00 179.25 180.03 1yrr h ASP 164 N 0.00 0.00 0.00 0.00 2.03 -1.86 -2.73 116.42 113.86 1yrr h ASP 164 Ca 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1yrr h ASP 164 Cb 0.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 1yrr h ASP 164 CO -0.00 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 179.54 1yrr n VAL 165 N -2.40 0.61 -3.77 4.15 0.24 -0.75 -4.93 118.33 111.49 1yrr n VAL 165 Ca 0.02 -0.81 -0.37 0.00 -2.04 0.00 0.00 64.34 61.15 1yrr n VAL 165 Cb 0.27 0.69 -0.12 0.00 -1.47 0.00 0.00 33.84 33.22 1yrr n VAL 165 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1yrr s ILE 166 N -0.61 3.57 -0.01 1.34 1.01 -0.93 -1.62 121.20 123.95 1yrr s ILE 166 Ca 0.00 -1.45 -0.19 0.00 0.00 0.00 0.00 60.65 59.01 1yrr s ILE 166 Cb 0.00 -3.15 -0.32 0.00 0.01 0.00 0.00 42.46 39.00 1yrr s ILE 166 CO 0.00 -0.34 0.97 0.74 0.00 0.00 0.00 174.94 176.31 1yrr h THR 167 N 6.27 1.41 -3.32 2.92 2.02 -1.43 -3.42 112.91 117.36 1yrr h THR 167 Ca -0.20 -2.52 -0.23 0.00 0.77 0.00 0.00 66.41 64.23 1yrr h THR 167 Cb 1.07 3.04 -0.30 0.00 -1.74 0.00 0.00 68.15 70.22 1yrr h THR 167 CO 0.64 0.74 -0.59 -0.75 0.37 0.00 0.00 175.52 175.92 1yrr s LYS 168 N -2.63 0.11 -0.14 6.66 2.20 -0.85 -1.08 119.74 124.01 1yrr s LYS 168 Ca -0.12 0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.80 1yrr s LYS 168 Cb 0.03 -0.09 0.02 0.00 -1.51 0.00 0.00 37.83 36.27 1yrr s LYS 168 CO 0.88 -0.11 -0.15 0.08 -0.36 0.00 0.00 175.35 175.68 1yrr s VAL 169 N 0.78 1.59 -0.14 4.02 1.01 -0.24 -0.93 120.40 126.48 1yrr s VAL 169 Ca -0.06 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1yrr s VAL 169 Cb -0.08 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1yrr s VAL 169 CO -0.04 0.46 0.30 -0.89 0.00 0.00 0.00 175.10 174.93 1yrr s THR 170 N 1.37 5.29 0.14 3.92 2.01 -0.18 -1.46 115.64 126.73 1yrr s THR 170 Ca 0.03 0.57 -0.01 0.00 0.31 0.00 0.00 61.69 62.58 1yrr s THR 170 Cb -0.13 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1yrr s THR 170 CO -0.09 0.42 0.08 -1.48 -0.69 0.00 0.00 174.62 172.86 1yrr s LEU 171 N 0.23 1.65 -0.39 4.42 0.05 -0.53 -3.43 118.68 120.69 1yrr s LEU 171 Ca 0.17 -1.21 -0.20 0.00 0.05 0.00 0.00 54.13 52.94 1yrr s LEU 171 Cb -0.13 0.36 0.01 0.00 -2.05 0.00 0.00 46.19 44.38 1yrr s LEU 171 CO 0.05 -0.75 0.63 0.00 -0.55 0.00 0.00 176.35 175.72 1yrr s ALA 172 N -4.06 3.41 0.53 1.48 0.00 -0.09 -0.99 121.76 122.04 1yrr s ALA 172 Ca 0.25 -1.03 0.19 0.00 0.00 0.00 0.00 51.96 51.37 1yrr s ALA 172 Cb 0.07 -3.22 1.37 0.00 0.00 0.00 0.00 23.12 21.35 1yrr s ALA 172 CO 0.03 -1.53 2.16 -1.00 0.00 0.00 0.00 175.76 175.42 1yrr h PRO 173 N 8.65 0.00 0.00 0.00 0.13 -1.87 -0.40 132.00 138.50 1yrr h PRO 173 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1yrr h PRO 173 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1yrr h PRO 173 CO 0.86 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.78 1yrr n GLU 174 N -4.41 0.20 -0.15 0.86 0.00 -1.26 -2.96 120.64 112.92 1yrr n GLU 174 Ca -0.03 0.47 0.12 0.00 0.00 0.00 0.00 57.16 57.72 1yrr n GLU 174 Cb 0.11 -1.91 0.19 0.00 0.00 0.00 0.00 31.44 29.82 1yrr n GLU 174 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1yrr n MET 175 N -2.29 2.44 -3.95 3.44 2.81 -0.16 -4.98 117.12 114.43 1yrr n MET 175 Ca 0.01 -2.20 -0.10 0.00 -1.81 0.00 0.00 57.70 53.61 1yrr n MET 175 Cb 0.20 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.10 1yrr n MET 175 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yrr s VAL 176 N -1.57 0.09 0.59 2.03 -7.23 -1.16 -5.03 120.40 108.12 1yrr s VAL 176 Ca 0.36 -0.64 -0.18 0.00 -1.81 0.00 0.00 61.98 59.70 1yrr s VAL 176 Cb 0.22 -0.19 -0.04 0.00 0.56 0.00 0.00 36.38 36.93 1yrr s VAL 176 CO 0.31 -0.35 1.14 -2.84 -0.31 0.00 0.00 175.10 173.05 1yrr s PRO 177 N -1.03 3.09 0.34 4.82 0.02 -1.26 -4.92 135.00 136.07 1yrr s PRO 177 Ca -0.11 1.61 0.06 0.00 0.02 0.00 0.00 61.00 62.58 1yrr s PRO 177 Cb -0.07 -1.97 0.72 0.00 0.02 0.00 0.00 34.50 33.20 1yrr s PRO 177 CO -0.01 -1.06 1.91 0.00 -0.33 0.00 0.00 177.00 177.52 1yrr h ALA 178 N 0.80 1.71 -0.32 -1.55 0.00 -1.95 -2.26 119.26 115.68 1yrr h ALA 178 Ca -0.49 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1yrr h ALA 178 Cb 1.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1yrr h ALA 178 CO 0.56 0.13 -0.00 1.05 0.00 0.00 0.00 179.25 180.98 1yrr h GLU 179 N 0.80 0.50 -0.44 0.00 -0.00 -1.94 -0.82 114.58 112.68 1yrr h GLU 179 Ca 0.38 -0.10 0.02 0.00 -0.00 0.00 0.00 59.36 59.65 1yrr h GLU 179 Cb 0.42 -0.07 -0.03 0.00 -0.00 0.00 0.00 28.75 29.07 1yrr h GLU 179 CO -0.15 0.53 0.27 0.28 -0.00 0.00 0.00 179.01 179.93 1yrr h VAL 180 N 0.48 1.06 -0.34 -1.06 2.07 -1.78 -1.51 116.25 115.17 1yrr h VAL 180 Ca 0.10 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1yrr h VAL 180 Cb 0.32 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1yrr h VAL 180 CO 0.01 0.10 0.17 0.40 0.02 0.00 0.00 177.57 178.27 1yrr h ILE 181 N 0.54 1.15 -0.70 4.57 2.04 -1.38 -2.51 117.51 121.21 1yrr h ILE 181 Ca 0.17 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1yrr h ILE 181 Cb -0.01 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1yrr h ILE 181 CO -0.07 0.16 0.26 0.28 0.00 0.00 0.00 178.15 178.77 1yrr h SER 182 N 0.41 0.98 -0.23 1.72 0.02 -1.04 -1.71 113.55 113.71 1yrr h SER 182 Ca 0.12 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1yrr h SER 182 Cb 0.09 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1yrr h SER 182 CO -0.02 0.89 0.04 0.11 -1.14 0.00 0.00 176.83 176.72 1yrr h LYS 183 N 1.03 0.38 -0.28 3.45 1.57 -1.21 -1.27 116.57 120.24 1yrr h LYS 183 Ca 0.23 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1yrr h LYS 183 Cb 0.24 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1yrr h LYS 183 CO -0.02 0.51 0.09 -0.07 -0.57 0.00 0.00 179.45 179.39 1yrr h LEU 184 N 0.19 0.09 -0.37 2.94 3.38 -1.25 -2.30 115.31 117.99 1yrr h LEU 184 Ca 0.07 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1yrr h LEU 184 Cb 0.31 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1yrr h LEU 184 CO 0.00 0.08 -0.06 0.00 0.09 0.00 0.00 178.44 178.56 1yrr h ALA 185 N 1.18 0.50 0.00 1.53 0.00 -1.14 -2.48 119.26 118.86 1yrr h ALA 185 Ca 0.13 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1yrr h ALA 185 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1yrr h ALA 185 CO -0.14 0.33 -0.30 -0.91 0.00 0.00 0.00 179.25 178.23 1yrr h ASN 186 N 0.49 0.00 0.74 0.00 2.35 -1.24 -1.67 115.58 116.26 1yrr h ASN 186 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1yrr h ASN 186 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1yrr h ASN 186 CO 0.03 0.30 0.00 0.00 -1.65 0.00 0.00 177.43 176.11 1yrr h ALA 187 N 1.70 1.00 0.00 -0.83 0.00 -1.14 -3.46 119.26 116.53 1yrr h ALA 187 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yrr h ALA 187 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1yrr h ALA 187 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1yrr n GLY 188 N -0.24 1.20 3.76 0.00 0.00 -0.63 -4.83 105.19 104.45 1yrr n GLY 188 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1yrr n GLY 188 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yrr s ILE 189 N -2.00 3.55 -0.25 -0.61 1.01 -0.96 -5.00 121.20 116.95 1yrr s ILE 189 Ca 0.00 1.51 -0.29 0.00 0.00 0.00 0.00 60.65 61.88 1yrr s ILE 189 Cb 0.00 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.54 1yrr s ILE 189 CO 0.00 0.32 1.03 -0.69 0.00 0.00 0.00 174.94 175.60 1yrr s VAL 190 N -1.23 4.66 -0.28 2.92 1.01 -0.24 -4.15 120.40 123.10 1yrr s VAL 190 Ca 0.46 1.94 -0.12 0.00 0.00 0.00 0.00 61.98 64.26 1yrr s VAL 190 Cb -0.30 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 1yrr s VAL 190 CO 0.39 -0.22 0.25 -0.69 0.00 0.00 0.00 175.10 174.82 1yrr s VAL 191 N 3.24 5.27 -0.10 2.92 1.01 -1.26 -1.08 120.40 130.40 1yrr s VAL 191 Ca 0.43 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.73 1yrr s VAL 191 Cb -0.15 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1yrr s VAL 191 CO 0.08 0.21 -0.19 -0.55 0.00 0.00 0.00 175.10 174.65 1yrr s SER 192 N 1.72 3.55 -0.02 3.32 0.15 -0.54 -1.39 113.70 120.50 1yrr s SER 192 Ca 0.09 -0.42 -0.27 0.00 0.70 0.00 0.00 55.95 56.06 1yrr s SER 192 Cb -0.16 -1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 62.80 1yrr s SER 192 CO 0.11 0.20 0.84 0.00 1.20 0.00 0.00 173.24 175.59 1yrr s ALA 193 N 0.12 3.26 0.13 5.45 0.00 -0.39 -1.45 121.76 128.88 1yrr s ALA 193 Ca -0.09 0.35 -0.25 0.00 0.00 0.00 0.00 51.96 51.96 1yrr s ALA 193 Cb -0.16 -3.14 0.08 0.00 0.00 0.00 0.00 23.12 19.90 1yrr s ALA 193 CO 0.06 -0.14 1.05 0.20 0.00 0.00 0.00 175.76 176.92 1yrr s GLY 194 N 0.79 -0.19 -1.17 0.00 0.00 -0.16 -1.66 107.32 104.93 1yrr s GLY 194 Ca 0.44 0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.99 1yrr s GLY 194 CO 0.23 0.68 0.69 1.42 0.00 0.00 0.00 173.10 176.12 1yrr n HIS 195 N -0.54 -1.52 -3.99 1.90 8.25 -1.18 -3.11 115.22 115.03 1yrr n HIS 195 Ca -0.06 0.19 -0.11 0.00 -0.26 0.00 0.00 57.72 57.48 1yrr n HIS 195 Cb 0.61 -2.86 -0.12 0.00 1.12 0.00 0.00 29.99 28.73 1yrr n HIS 195 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1yrr s SER 196 N -3.46 0.35 -0.32 0.41 0.15 -0.99 -0.89 113.70 108.94 1yrr s SER 196 Ca 0.44 -0.34 0.09 0.00 0.70 0.00 0.00 55.95 56.84 1yrr s SER 196 Cb -0.23 0.04 0.60 0.00 -1.71 0.00 0.00 66.02 64.72 1yrr s SER 196 CO 0.95 -0.16 1.64 -3.20 1.20 0.00 0.00 173.24 173.67 1yrr n ASN 197 N 2.09 3.49 -4.77 5.45 5.15 -1.26 -3.93 115.26 121.48 1yrr n ASN 197 Ca -0.20 -3.51 -0.41 0.00 -0.60 0.00 0.00 54.58 49.87 1yrr n ASN 197 Cb 0.57 -0.69 -0.02 0.00 -0.53 0.00 0.00 39.78 39.10 1yrr n ASN 197 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yrr s ALA 198 N -3.15 3.56 1.01 5.20 0.00 -1.26 -4.87 121.76 122.25 1yrr s ALA 198 Ca 0.49 1.38 -0.13 0.00 0.00 0.00 0.00 51.96 53.71 1yrr s ALA 198 Cb 0.42 -3.54 0.19 0.00 0.00 0.00 0.00 23.12 20.19 1yrr s ALA 198 CO 0.07 -0.80 1.10 0.95 0.00 0.00 0.00 175.76 177.07 1yrr s THR 199 N -0.84 2.00 0.22 0.00 -4.23 -1.26 -1.75 115.64 109.78 1yrr s THR 199 Ca 0.53 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.96 1yrr s THR 199 Cb -0.43 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.06 1yrr s THR 199 CO 0.54 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.69 1yrr h LEU 200 N -1.91 0.64 -0.27 4.79 6.46 -1.91 -0.24 115.31 122.87 1yrr h LEU 200 Ca -0.55 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.22 1yrr h LEU 200 Cb 1.33 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 1yrr h LEU 200 CO 0.58 0.41 0.08 0.50 -0.62 0.00 0.00 178.44 179.39 1yrr h LYS 201 N 0.77 0.42 -0.58 1.25 3.64 -1.92 0.25 116.57 120.40 1yrr h LYS 201 Ca 0.32 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1yrr h LYS 201 Cb 0.18 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1yrr h LYS 201 CO -0.18 0.49 0.33 0.93 -2.27 0.00 0.00 179.45 178.75 1yrr h GLU 202 N 0.27 0.79 -0.08 1.90 5.08 -1.81 -1.44 114.58 119.28 1yrr h GLU 202 Ca 0.09 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1yrr h GLU 202 Cb 0.25 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1yrr h GLU 202 CO -0.00 0.57 -0.05 0.00 -1.00 0.00 0.00 179.01 178.53 1yrr h ALA 203 N 1.56 0.11 -0.33 3.43 0.00 -0.53 -1.73 119.26 121.78 1yrr h ALA 203 Ca 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1yrr h ALA 203 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1yrr h ALA 203 CO -0.04 -0.11 0.18 0.87 0.00 0.00 0.00 179.25 180.15 1yrr h LYS 204 N -0.22 0.44 -0.40 0.00 1.79 -0.80 -0.77 116.57 116.61 1yrr h LYS 204 Ca 0.02 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.30 1yrr h LYS 204 Cb 0.52 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1yrr h LYS 204 CO 0.01 0.33 -0.32 0.00 -1.08 0.00 0.00 179.45 178.39 1yrr h ALA 205 N 1.75 0.66 -0.59 3.86 0.00 -0.89 -1.81 119.26 122.23 1yrr h ALA 205 Ca 0.12 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1yrr h ALA 205 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1yrr h ALA 205 CO -0.02 0.67 0.38 0.78 0.00 0.00 0.00 179.25 181.06 1yrr h GLY 206 N 0.85 0.84 0.99 0.00 0.00 -0.48 -2.03 103.07 103.24 1yrr h GLY 206 Ca 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1yrr h GLY 206 CO 0.08 0.27 -0.01 0.74 0.00 0.00 0.00 176.54 177.62 1yrr h PHE 207 N 0.77 -0.04 -0.04 5.60 0.04 -1.07 -2.27 116.94 119.94 1yrr h PHE 207 Ca 0.23 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.00 1yrr h PHE 207 Cb -0.04 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 1yrr h PHE 207 CO -0.04 -0.01 0.03 0.00 -0.60 0.00 0.00 178.31 177.69 1yrr h ARG 208 N -0.05 0.02 0.00 1.51 3.08 -1.11 -0.44 114.38 117.39 1yrr h ARG 208 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1yrr h ARG 208 Cb 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1yrr h ARG 208 CO 0.01 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 1yrr h ALA 209 N 1.98 1.00 0.00 0.04 0.00 -1.02 -3.47 119.26 117.79 1yrr h ALA 209 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yrr h ALA 209 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1yrr h ALA 209 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1yrr n GLY 210 N 0.30 0.25 3.71 0.00 0.00 -0.17 -3.21 105.19 106.06 1yrr n GLY 210 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1yrr n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yrr s ILE 211 N -1.15 2.78 0.00 -0.61 1.01 -0.88 -4.55 121.20 117.79 1yrr s ILE 211 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.13 1yrr s ILE 211 Cb 0.00 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1yrr s ILE 211 CO 0.00 0.02 0.42 0.35 0.00 0.00 0.00 174.94 175.73 1yrr n THR 212 N 4.21 0.00 -4.09 2.92 -2.24 -0.49 -4.55 114.28 110.04 1yrr n THR 212 Ca 0.14 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 1yrr n THR 212 Cb 0.39 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 1yrr n THR 212 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1yrr s PHE 213 N -0.10 0.59 0.00 4.78 5.36 -1.15 -1.48 117.98 125.99 1yrr s PHE 213 Ca 0.00 -1.07 0.00 0.00 -0.96 0.00 0.00 56.93 54.90 1yrr s PHE 213 Cb 0.00 -0.38 -0.01 0.00 -0.34 0.00 0.00 43.02 42.29 1yrr s PHE 213 CO 0.00 -0.45 -0.02 0.00 -1.46 0.00 0.00 175.22 173.29 1yrr s ALA 214 N -3.96 0.13 -0.29 11.12 0.00 -0.09 -1.26 121.76 127.41 1yrr s ALA 214 Ca 0.12 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.74 1yrr s ALA 214 Cb 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1yrr s ALA 214 CO -0.06 -0.01 0.46 0.99 0.00 0.00 0.00 175.76 177.14 1yrr s THR 215 N -0.35 5.09 -0.46 0.00 2.01 -0.67 -1.91 115.64 119.36 1yrr s THR 215 Ca -0.03 0.59 -0.32 0.00 0.31 0.00 0.00 61.69 62.23 1yrr s THR 215 Cb -0.03 -3.82 0.05 0.00 0.01 0.00 0.00 72.50 68.71 1yrr s THR 215 CO -0.00 0.02 0.61 0.00 -0.69 0.00 0.00 174.62 174.56 1yrr n HIS 216 N 5.52 -2.42 -1.49 4.92 1.44 -1.23 -4.78 115.22 117.18 1yrr n HIS 216 Ca -0.06 1.01 -0.57 0.00 -2.01 0.00 0.00 57.72 56.10 1yrr n HIS 216 Cb 0.50 -1.74 -0.07 0.00 0.12 0.00 0.00 29.99 28.80 1yrr n HIS 216 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1yrr n LEU 217 N -0.47 -0.08 0.00 2.39 7.94 0.19 -1.49 117.00 125.49 1yrr n LEU 217 Ca -0.11 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 1yrr n LEU 217 Cb 0.64 -0.95 0.00 0.00 0.53 0.00 0.00 43.42 43.64 1yrr n LEU 217 CO 0.53 -2.02 0.00 -1.22 -1.11 0.00 0.00 177.39 173.57 1yrr n TYR 218 N 1.31 0.00 -3.22 1.96 4.01 -1.26 -4.78 117.16 115.17 1yrr n TYR 218 Ca 0.19 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.55 1yrr n TYR 218 Cb 0.12 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.09 1yrr n TYR 218 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1yrr s ASN 219 N 0.08 6.94 -1.44 7.72 0.02 -0.55 -3.72 114.94 123.99 1yrr s ASN 219 Ca 0.00 1.12 -0.10 0.00 -1.02 0.00 0.00 52.86 52.86 1yrr s ASN 219 Cb 0.00 -2.35 0.05 0.00 0.02 0.00 0.00 41.25 38.96 1yrr s ASN 219 CO 0.00 0.09 1.04 0.00 0.02 0.00 0.00 177.10 178.25 1yrr n ALA 220 N 2.83 -1.39 -2.24 0.60 0.00 -1.26 -4.74 120.51 114.30 1yrr n ALA 220 Ca -0.07 0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 1yrr n ALA 220 Cb 0.51 -4.58 -0.10 0.00 0.00 0.00 0.00 19.45 15.28 1yrr n ALA 220 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1yrr s MET 221 N -6.40 1.22 0.69 0.00 -1.94 -1.24 -2.36 119.30 109.27 1yrr s MET 221 Ca 0.55 -1.63 -0.15 0.00 -1.71 0.00 0.00 55.69 52.75 1yrr s MET 221 Cb -0.26 -0.04 0.02 0.00 2.01 0.00 0.00 34.83 36.55 1yrr s MET 221 CO 0.79 -0.28 1.14 -2.14 -0.01 0.00 0.00 175.02 174.51 1yrr s PRO 222 N -4.05 2.55 1.02 2.03 0.02 -1.25 -5.00 135.00 130.31 1yrr s PRO 222 Ca 0.33 1.51 -0.12 0.00 0.02 0.00 0.00 61.00 62.75 1yrr s PRO 222 Cb 0.07 -1.91 0.20 0.00 0.02 0.00 0.00 34.50 32.88 1yrr s PRO 222 CO 0.09 -1.47 1.08 0.71 -0.33 0.00 0.00 177.00 177.09 1yrr s TYR 223 N -2.23 1.73 -0.27 6.54 2.02 -1.26 -4.63 117.35 119.25 1yrr s TYR 223 Ca 0.69 1.35 -0.10 0.00 -0.37 0.00 0.00 57.07 58.65 1yrr s TYR 223 Cb -0.23 -3.18 -0.04 0.00 -0.40 0.00 0.00 41.96 38.10 1yrr s TYR 223 CO 0.43 -3.13 0.16 0.42 -1.57 0.00 0.00 175.55 171.85 1yrr s ILE 224 N -2.67 5.02 0.36 2.71 1.01 -1.26 -4.56 121.20 121.81 1yrr s ILE 224 Ca 0.66 0.07 0.08 0.00 0.00 0.00 0.00 60.65 61.46 1yrr s ILE 224 Cb -0.22 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1yrr s ILE 224 CO 0.60 0.27 0.16 0.42 0.00 0.00 0.00 174.94 176.40 1yrr s THR 225 N 1.72 2.78 0.16 2.92 -4.23 -0.77 -4.99 115.64 113.22 1yrr s THR 225 Ca 0.07 -1.69 -0.16 0.00 -1.18 0.00 0.00 61.69 58.72 1yrr s THR 225 Cb -0.16 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.74 1yrr s THR 225 CO 0.09 -0.12 1.74 1.23 -0.54 0.00 0.00 174.62 177.01 1yrr h GLY 226 N 1.50 0.43 1.48 3.99 0.00 -1.99 -2.64 103.07 105.83 1yrr h GLY 226 Ca -0.43 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 1yrr h GLY 226 CO 0.65 -0.00 -0.84 3.21 0.00 0.00 0.00 176.54 179.55 1yrr h ARG 227 N 0.22 0.00 -2.93 4.80 3.08 -2.03 -3.42 114.38 114.10 1yrr h ARG 227 Ca 0.17 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.61 1yrr h ARG 227 Cb 0.17 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.82 1yrr h ARG 227 CO -0.20 0.28 -0.75 -1.21 -1.07 0.00 0.00 179.97 177.01 1yrr s GLU 228 N -3.05 1.17 0.49 0.04 0.41 -1.00 -4.98 118.70 111.78 1yrr s GLU 228 Ca 0.01 -1.89 0.18 0.00 -0.41 0.00 0.00 54.97 52.85 1yrr s GLU 228 Cb 0.08 -2.18 1.19 0.00 -1.78 0.00 0.00 34.13 31.44 1yrr s GLU 228 CO 0.77 -1.17 2.06 -1.35 -0.49 0.00 0.00 175.26 175.08 1yrr h PRO 229 N 6.78 0.00 0.00 0.39 0.11 -1.82 -2.05 132.00 135.41 1yrr h PRO 229 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1yrr h PRO 229 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1yrr h PRO 229 CO 0.45 0.12 0.00 0.41 -0.21 0.00 0.00 178.00 178.77 1yrr n GLY 230 N -1.11 -0.99 0.30 -0.55 0.00 -1.26 -2.29 105.19 99.29 1yrr n GLY 230 Ca -0.03 -1.12 -0.06 0.00 0.00 0.00 0.00 46.02 44.82 1yrr n GLY 230 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yrr h LEU 231 N 0.00 0.92 -0.44 0.99 5.85 -1.53 -1.43 115.31 119.67 1yrr h LEU 231 Ca 0.00 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1yrr h LEU 231 Cb 0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1yrr h LEU 231 CO 0.00 0.78 0.25 0.00 -0.34 0.00 0.00 178.44 179.13 1yrr h ALA 232 N 1.18 0.56 -0.50 1.25 0.00 -1.82 0.05 119.26 119.98 1yrr h ALA 232 Ca 0.25 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1yrr h ALA 232 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1yrr h ALA 232 CO -0.03 0.08 -0.02 0.78 0.00 0.00 0.00 179.25 180.05 1yrr h GLY 233 N 0.58 0.93 0.92 0.00 0.00 -1.28 -1.78 103.07 102.44 1yrr h GLY 233 Ca 0.16 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1yrr h GLY 233 CO -0.03 0.60 0.12 0.00 0.00 0.00 0.00 176.54 177.23 1yrr h ALA 234 N 1.18 0.32 -0.96 3.60 0.00 -0.96 -2.05 119.26 120.39 1yrr h ALA 234 Ca 0.15 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1yrr h ALA 234 Cb 0.50 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1yrr h ALA 234 CO 0.03 -0.11 0.64 0.82 0.00 0.00 0.00 179.25 180.62 1yrr h ILE 235 N 0.27 1.22 -0.38 0.00 2.04 -0.78 -1.47 117.51 118.40 1yrr h ILE 235 Ca 0.08 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 1yrr h ILE 235 Cb 0.13 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 1yrr h ILE 235 CO -0.01 0.23 0.03 -0.07 0.00 0.00 0.00 178.15 178.33 1yrr h LEU 236 N 1.27 0.54 -0.69 1.44 3.38 -1.14 -2.70 115.31 117.42 1yrr h LEU 236 Ca 0.36 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1yrr h LEU 236 Cb -0.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1yrr h LEU 236 CO -0.09 0.59 -0.18 -0.67 0.09 0.00 0.00 178.44 178.17 1yrr n ASP 237 N -4.29 1.25 -4.18 -0.43 2.03 -0.79 -4.70 116.55 105.46 1yrr n ASP 237 Ca 0.02 -1.12 -0.39 0.00 0.52 0.00 0.00 54.79 53.82 1yrr n ASP 237 Cb 0.23 0.11 -0.10 0.00 -0.72 0.00 0.00 41.12 40.64 1yrr n ASP 237 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1yrr s GLU 238 N -2.34 2.28 0.38 -0.67 2.56 -0.60 -4.98 118.70 115.34 1yrr s GLU 238 Ca 0.28 -1.77 0.12 0.00 0.00 0.00 0.00 54.97 53.60 1yrr s GLU 238 Cb 0.20 -3.77 0.92 0.00 2.00 0.00 0.00 34.13 33.48 1yrr s GLU 238 CO 0.46 -1.13 1.88 0.00 -0.56 0.00 0.00 175.26 175.92 1yrr h ALA 239 N 8.28 1.96 -0.04 6.30 0.00 -1.84 -2.40 119.26 131.53 1yrr h ALA 239 Ca -0.18 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1yrr h ALA 239 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1yrr h ALA 239 CO 0.79 -0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 1yrr n ASP 240 N -4.53 1.06 -4.60 0.00 5.68 -1.26 -4.82 116.55 108.08 1yrr n ASP 240 Ca 0.17 -1.41 -0.40 0.00 -0.50 0.00 0.00 54.79 52.65 1yrr n ASP 240 Cb 0.52 -0.02 -0.08 0.00 -1.14 0.00 0.00 41.12 40.40 1yrr n ASP 240 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1yrr s ILE 241 N -1.96 5.10 0.54 2.12 -1.09 -0.90 -4.94 121.20 120.07 1yrr s ILE 241 Ca 0.39 0.60 -0.19 0.00 -2.23 0.00 0.00 60.65 59.22 1yrr s ILE 241 Cb 0.20 -3.80 -0.06 0.00 -1.58 0.00 0.00 42.46 37.22 1yrr s ILE 241 CO 0.32 0.04 1.08 -0.31 -1.23 0.00 0.00 174.94 174.84 1yrr s TYR 242 N 2.22 2.85 -0.01 3.97 2.02 -0.55 -4.88 117.35 122.98 1yrr s TYR 242 Ca 0.18 1.55 -0.23 0.00 -0.37 0.00 0.00 57.07 58.19 1yrr s TYR 242 Cb -0.16 -3.14 0.05 0.00 -0.40 0.00 0.00 41.96 38.32 1yrr s TYR 242 CO 0.10 -1.21 0.51 0.00 -1.57 0.00 0.00 175.55 173.39 1yrr s GLY 244 N -1.46 1.76 -0.05 0.00 0.00 -0.80 -0.91 107.32 105.86 1yrr s GLY 244 Ca -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 44.72 44.31 1yrr s GLY 244 CO 0.05 -0.08 0.12 -1.50 0.00 0.00 0.00 173.10 171.69 1yrr s ILE 245 N -2.60 -0.01 -0.32 0.90 2.07 -0.05 -0.64 121.20 120.54 1yrr s ILE 245 Ca 0.51 0.05 -0.23 0.00 -1.41 0.00 0.00 60.65 59.57 1yrr s ILE 245 Cb -0.10 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.31 1yrr s ILE 245 CO 0.39 0.02 0.78 -0.63 -1.91 0.00 0.00 174.94 173.59 1yrr s ILE 246 N 0.37 4.78 -0.78 2.00 1.01 -1.26 -2.12 121.20 125.20 1yrr s ILE 246 Ca -0.03 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.70 1yrr s ILE 246 Cb -0.04 -4.16 0.36 0.00 0.01 0.00 0.00 42.46 38.63 1yrr s ILE 246 CO -0.01 -0.30 1.74 0.00 0.00 0.00 0.00 174.94 176.36 1yrr n ALA 247 N 6.26 6.04 1.15 9.38 0.00 -1.25 -4.32 120.51 137.76 1yrr n ALA 247 Ca 0.03 -4.29 0.12 0.00 0.00 0.00 0.00 53.44 49.30 1yrr n ALA 247 Cb 0.48 -1.66 0.22 0.00 0.00 0.00 0.00 19.45 18.49 1yrr n ALA 247 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1yrr n ASP 248 N -0.42 1.57 0.00 0.00 5.68 -1.26 -4.57 116.55 117.55 1yrr n ASP 248 Ca 0.48 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.52 1yrr n ASP 248 Cb 0.33 0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1yrr n ASP 248 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yrr n GLY 249 N 1.36 1.14 0.82 6.12 0.00 -1.26 -4.82 105.19 108.56 1yrr n GLY 249 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 1yrr n GLY 249 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yrr n LEU 250 N 0.00 0.45 0.01 0.99 4.77 -1.26 -4.69 117.00 117.27 1yrr n LEU 250 Ca 0.00 0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 55.99 1yrr n LEU 250 Cb 0.00 -0.18 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 1yrr n LEU 250 CO 0.00 0.09 0.58 0.45 -1.33 0.00 0.00 177.39 177.18 1yrr h HIS 251 N -0.21 0.62 -3.32 -1.77 3.86 -1.87 -3.43 115.15 109.02 1yrr h HIS 251 Ca -0.14 -0.19 -0.39 0.00 -1.16 0.00 0.00 60.37 58.49 1yrr h HIS 251 Cb 1.09 -0.13 -0.38 0.00 1.06 0.00 0.00 27.41 29.05 1yrr h HIS 251 CO -0.02 0.86 -0.75 0.08 0.86 0.00 0.00 177.93 178.96 1yrr s VAL 252 N -4.19 0.13 0.35 2.45 1.01 -1.26 -4.86 120.40 114.03 1yrr s VAL 252 Ca -0.07 0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 1yrr s VAL 252 Cb 0.12 -0.32 -0.12 0.00 0.00 0.00 0.00 36.38 36.06 1yrr s VAL 252 CO 0.82 0.20 1.30 -0.67 0.00 0.00 0.00 175.10 176.75 1yrr n ASP 253 N 5.02 2.79 0.25 3.32 -0.08 -1.26 -4.18 116.55 122.41 1yrr n ASP 253 Ca -0.09 1.20 0.12 0.00 -1.51 0.00 0.00 54.79 54.52 1yrr n ASP 253 Cb 0.50 -1.49 0.76 0.00 2.34 0.00 0.00 41.12 43.23 1yrr n ASP 253 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1yrr h TYR 254 N 2.54 0.00 -0.52 -0.67 0.05 -1.92 -1.16 116.97 115.28 1yrr h TYR 254 Ca -0.46 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.22 1yrr h TYR 254 Cb 1.28 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.00 1yrr h TYR 254 CO 0.51 0.00 -0.05 0.00 -1.05 0.00 0.00 178.16 177.57 1yrr h ALA 255 N 1.95 0.93 -0.13 3.88 0.00 -1.90 -0.13 119.26 123.86 1yrr h ALA 255 Ca 0.03 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1yrr h ALA 255 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1yrr h ALA 255 CO -0.00 0.63 -0.31 -0.91 0.00 0.00 0.00 179.25 178.66 1yrr h ASN 256 N 0.84 0.26 -0.24 0.00 2.35 -1.58 -1.23 115.58 115.98 1yrr h ASN 256 Ca 0.15 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1yrr h ASN 256 Cb 0.56 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1yrr h ASN 256 CO 0.03 0.56 -0.02 0.40 -1.65 0.00 0.00 177.43 176.76 1yrr h ILE 257 N 0.23 1.26 -0.27 2.81 2.04 -1.06 -1.07 117.51 121.46 1yrr h ILE 257 Ca 0.03 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 64.96 1yrr h ILE 257 Cb 0.66 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 1yrr h ILE 257 CO 0.05 0.30 0.11 0.03 0.00 0.00 0.00 178.15 178.64 1yrr h ARG 258 N 0.20 0.24 -0.75 2.37 3.08 -0.83 0.46 114.38 119.15 1yrr h ARG 258 Ca 0.07 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.18 1yrr h ARG 258 Cb 0.44 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.37 1yrr h ARG 258 CO 0.02 0.16 0.42 -0.91 -1.07 0.00 0.00 179.97 178.58 1yrr h ASN 259 N 0.25 0.60 0.10 7.04 2.35 -1.25 -2.22 115.58 122.45 1yrr h ASN 259 Ca 0.11 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.77 1yrr h ASN 259 Cb 0.06 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1yrr h ASN 259 CO -0.10 0.36 -0.49 0.00 -1.65 0.00 0.00 177.43 175.56 1yrr h ALA 260 N 1.41 0.85 -0.47 -0.83 0.00 -0.55 -2.45 119.26 117.21 1yrr h ALA 260 Ca 0.35 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1yrr h ALA 260 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1yrr h ALA 260 CO -0.23 0.66 0.04 -0.22 0.00 0.00 0.00 179.25 179.51 1yrr h LYS 261 N 0.36 0.80 -0.74 0.00 1.63 -0.68 0.50 116.57 118.43 1yrr h LYS 261 Ca 0.02 -0.23 0.01 0.00 -0.85 0.00 0.00 60.65 59.59 1yrr h LYS 261 Cb 0.98 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.49 1yrr h LYS 261 CO 0.09 0.83 0.49 0.00 -3.45 0.00 0.00 179.45 177.40 1yrr h ARG 262 N 0.66 0.97 0.02 1.90 3.08 -1.22 0.06 114.38 119.84 1yrr h ARG 262 Ca 0.14 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.93 1yrr h ARG 262 Cb 0.44 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1yrr h ARG 262 CO 0.02 0.65 -0.94 -0.07 -1.07 0.00 0.00 179.97 178.55 1yrr h LEU 263 N 1.00 0.14 0.00 3.04 3.38 -1.23 -3.36 115.31 118.29 1yrr h LEU 263 Ca 0.27 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1yrr h LEU 263 Cb -0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1yrr h LEU 263 CO -0.06 1.00 -1.36 0.29 0.09 0.00 0.00 178.44 178.40 1yrr n LYS 264 N -3.53 0.62 0.00 1.13 4.76 0.15 -4.92 118.16 116.36 1yrr n LYS 264 Ca -0.02 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1yrr n LYS 264 Cb 0.86 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 1yrr n LYS 264 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1yrr n GLY 265 N 1.30 3.78 0.14 0.72 0.00 -0.00 -1.48 105.19 109.64 1yrr n GLY 265 Ca -0.06 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1yrr n GLY 265 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yrr n ASP 266 N 7.01 0.41 -0.16 1.61 5.68 -1.26 -3.51 116.55 126.32 1yrr n ASP 266 Ca 0.00 -2.00 0.11 0.00 -0.50 0.00 0.00 54.79 52.40 1yrr n ASP 266 Cb 0.00 -0.05 -0.05 0.00 -1.14 0.00 0.00 41.12 39.88 1yrr n ASP 266 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1yrr n LYS 267 N -0.28 0.41 -2.85 0.11 4.76 -0.55 -4.83 118.16 114.93 1yrr n LYS 267 Ca 0.03 -0.33 -0.42 0.00 -2.87 0.00 0.00 58.31 54.72 1yrr n LYS 267 Cb 0.07 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.73 1yrr n LYS 267 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1yrr s LEU 268 N -2.82 4.20 -0.09 -0.35 2.96 -1.23 -2.01 118.68 119.34 1yrr s LEU 268 Ca 0.12 1.27 0.02 0.00 -0.22 0.00 0.00 54.13 55.31 1yrr s LEU 268 Cb 0.17 -3.31 -0.02 0.00 0.50 0.00 0.00 46.19 43.53 1yrr s LEU 268 CO 0.76 -0.39 -0.14 0.00 -1.32 0.00 0.00 176.35 175.26 1yrr s LEU 270 N -0.12 4.35 0.14 0.00 2.96 -0.63 -0.87 118.68 124.51 1yrr s LEU 270 Ca -0.02 2.14 0.04 0.00 -0.22 0.00 0.00 54.13 56.07 1yrr s LEU 270 Cb -0.14 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1yrr s LEU 270 CO 0.04 -0.60 -0.09 0.68 -1.32 0.00 0.00 176.35 175.05 1yrr s VAL 271 N 1.45 1.07 -0.14 1.68 -7.23 -0.90 -4.65 120.40 111.68 1yrr s VAL 271 Ca 0.62 -2.03 0.09 0.00 -1.81 0.00 0.00 61.98 58.84 1yrr s VAL 271 Cb -0.32 -1.81 -0.23 0.00 0.56 0.00 0.00 36.38 34.58 1yrr s VAL 271 CO 0.28 -0.77 0.30 0.35 -0.31 0.00 0.00 175.10 174.95 1yrr n THR 272 N -0.16 1.56 -2.89 5.32 -2.24 -1.25 -3.97 114.28 110.66 1yrr n THR 272 Ca -0.11 -0.75 -0.17 0.00 -2.27 0.00 0.00 64.05 60.75 1yrr n THR 272 Cb 0.61 -1.07 -0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1yrr n THR 272 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1yrr n ASP 273 N -3.08 -3.86 -4.77 3.42 2.03 -0.14 -4.64 116.55 105.50 1yrr n ASP 273 Ca -0.29 -0.09 -0.32 0.00 0.52 0.00 0.00 54.79 54.61 1yrr n ASP 273 Cb 1.07 -3.23 0.07 0.00 -0.72 0.00 0.00 41.12 38.31 1yrr n ASP 273 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yrr s ALA 274 N -2.77 2.39 0.00 -1.67 0.00 -1.26 -4.11 121.76 114.34 1yrr s ALA 274 Ca 0.20 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1yrr s ALA 274 Cb -0.10 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1yrr s ALA 274 CO 0.25 -1.49 0.00 0.25 0.00 0.00 0.00 175.76 174.76 1yrr n THR 275 N -2.99 0.00 0.00 0.00 -2.24 -0.41 -1.41 114.28 107.24 1yrr n THR 275 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1yrr n THR 275 Cb 0.53 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1yrr n THR 275 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1yrr n SER 307 N -1.76 0.00 -0.94 3.42 3.41 -1.26 -3.96 113.62 112.53 1yrr n SER 307 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1yrr n SER 307 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1yrr n SER 307 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yrr n GLY 308 N 0.00 -2.86 3.50 5.00 0.00 -1.26 -4.96 105.19 104.61 1yrr n GLY 308 Ca 0.00 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 1yrr n GLY 308 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yrr s SER 309 N -6.26 4.10 -0.11 1.61 0.15 -1.26 -5.01 113.70 106.93 1yrr s SER 309 Ca 0.00 -0.28 0.14 0.00 0.70 0.00 0.00 55.95 56.51 1yrr s SER 309 Cb 0.00 -0.81 0.37 0.00 -1.71 0.00 0.00 66.02 63.87 1yrr s SER 309 CO 0.00 0.29 1.29 -1.54 1.20 0.00 0.00 173.24 174.48 1yrr n SER 310 N 1.76 3.17 -4.77 5.45 3.41 -1.26 -1.28 113.62 120.10 1yrr n SER 310 Ca -0.16 -2.66 -0.41 0.00 -0.26 0.00 0.00 58.87 55.38 1yrr n SER 310 Cb 0.52 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1yrr n SER 310 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1yrr s LEU 311 N -2.17 4.41 0.35 1.04 2.96 -1.26 -5.03 118.68 118.98 1yrr s LEU 311 Ca 0.31 2.72 0.07 0.00 -0.22 0.00 0.00 54.13 57.01 1yrr s LEU 311 Cb 0.24 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.26 1yrr s LEU 311 CO 0.09 -0.60 0.32 0.42 -1.32 0.00 0.00 176.35 175.26 1yrr s THR 312 N -0.90 3.48 0.20 3.68 -4.23 -1.26 -4.68 115.64 111.94 1yrr s THR 312 Ca 0.51 -1.32 -0.08 0.00 -1.18 0.00 0.00 61.69 59.62 1yrr s THR 312 Cb -0.41 -3.18 0.11 0.00 1.34 0.00 0.00 72.50 70.36 1yrr s THR 312 CO 0.52 -0.15 1.71 0.24 -0.54 0.00 0.00 174.62 176.40 1yrr h MET 313 N 1.18 1.10 -0.33 3.99 0.00 -1.95 -1.57 114.93 117.35 1yrr h MET 313 Ca -0.44 -0.28 -0.10 0.00 0.00 0.00 0.00 59.70 58.88 1yrr h MET 313 Cb 1.26 -0.13 -0.02 0.00 0.00 0.00 0.00 31.60 32.71 1yrr h MET 313 CO 0.57 0.99 -0.20 0.97 0.00 0.00 0.00 176.91 179.25 1yrr h ILE 314 N 1.03 1.26 -0.72 -1.22 6.09 -1.93 -0.30 117.51 121.72 1yrr h ILE 314 Ca 0.21 -1.24 -0.02 0.00 -1.37 0.00 0.00 64.86 62.43 1yrr h ILE 314 Cb 0.42 1.23 -0.03 0.00 0.47 0.00 0.00 36.82 38.90 1yrr h ILE 314 CO 0.01 0.41 0.36 -0.33 -3.07 0.00 0.00 178.15 175.52 1yrr h GLU 315 N 0.55 1.03 -0.64 2.19 5.08 -1.77 -1.81 114.58 119.22 1yrr h GLU 315 Ca 0.09 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1yrr h GLU 315 Cb 0.65 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1yrr h GLU 315 CO 0.05 0.80 0.21 0.78 -1.00 0.00 0.00 179.01 179.85 1yrr h GLY 316 N 1.00 1.06 1.00 -3.84 0.00 -0.72 0.66 103.07 102.22 1yrr h GLY 316 Ca 0.25 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1yrr h GLY 316 CO -0.03 0.57 -0.00 -2.08 0.00 0.00 0.00 176.54 175.00 1yrr h VAL 317 N 0.91 0.99 -0.58 4.60 2.07 -0.83 -0.52 116.25 122.90 1yrr h VAL 317 Ca 0.21 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1yrr h VAL 317 Cb 0.27 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1yrr h VAL 317 CO -0.01 0.00 0.38 -0.09 0.02 0.00 0.00 177.57 177.87 1yrr h ARG 318 N -0.01 0.76 -0.71 1.57 2.43 -1.02 -2.12 114.38 115.27 1yrr h ARG 318 Ca -0.00 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1yrr h ARG 318 Cb 0.01 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1yrr h ARG 318 CO 0.00 0.51 0.22 -0.91 -1.51 0.00 0.00 179.97 178.28 1yrr h ASN 319 N 0.78 1.03 -0.49 -3.80 2.35 -0.65 0.90 115.58 115.70 1yrr h ASN 319 Ca 0.21 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1yrr h ASN 319 Cb -0.08 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 37.99 1yrr h ASN 319 CO -0.04 0.96 0.18 -0.07 -1.65 0.00 0.00 177.43 176.80 1yrr h LEU 320 N 1.06 0.69 -0.22 1.61 3.38 -0.78 -0.82 115.31 120.23 1yrr h LEU 320 Ca 0.23 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1yrr h LEU 320 Cb 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1yrr h LEU 320 CO -0.01 0.68 0.06 0.58 0.09 0.00 0.00 178.44 179.84 1yrr h VAL 321 N 0.65 1.21 0.06 1.22 2.07 -1.16 -2.10 116.25 118.19 1yrr h VAL 321 Ca 0.16 -0.66 -0.24 0.00 0.82 0.00 0.00 66.70 66.78 1yrr h VAL 321 Cb 0.22 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1yrr h VAL 321 CO -0.01 0.21 -1.07 -0.33 0.02 0.00 0.00 177.57 176.39 1yrr h GLU 322 N 0.18 0.20 -0.00 1.57 4.39 -0.79 -3.35 114.58 116.77 1yrr h GLU 322 Ca 0.07 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1yrr h GLU 322 Cb 0.27 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1yrr h GLU 322 CO 0.00 1.09 -0.11 0.72 -1.16 0.00 0.00 179.01 179.55 1yrr n HIS 323 N -3.54 0.00 -0.01 4.33 8.25 -0.32 -4.72 115.22 119.21 1yrr n HIS 323 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1yrr n HIS 323 Cb 0.93 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.04 1yrr n HIS 323 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yrr n GLY 325 N -0.11 0.67 3.71 0.00 0.00 -1.21 -4.81 105.19 103.45 1yrr n GLY 325 Ca 0.00 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 1yrr n GLY 325 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yrr s ILE 326 N -2.55 5.27 0.62 -0.61 1.01 -1.23 -5.07 121.20 118.64 1yrr s ILE 326 Ca 0.00 0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.61 1yrr s ILE 326 Cb 0.00 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1yrr s ILE 326 CO 0.00 0.45 1.07 0.00 0.00 0.00 0.00 174.94 176.46 1yrr n ALA 327 N 3.52 0.50 -0.25 9.38 0.00 -1.26 -4.28 120.51 128.10 1yrr n ALA 327 Ca -0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 1yrr n ALA 327 Cb 0.52 -2.18 0.12 0.00 0.00 0.00 0.00 19.45 17.91 1yrr n ALA 327 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yrr h LEU 328 N 0.47 0.61 -0.60 0.00 5.85 -1.97 0.15 115.31 119.82 1yrr h LEU 328 Ca -0.49 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.33 1yrr h LEU 328 Cb 1.36 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 1yrr h LEU 328 CO 0.51 0.38 0.29 -2.24 -0.34 0.00 0.00 178.44 177.04 1yrr h ASP 329 N 0.74 0.38 -0.11 1.25 2.03 -2.00 -0.50 116.42 118.22 1yrr h ASP 329 Ca 0.33 0.05 -0.22 0.00 -0.73 0.00 0.00 57.03 56.46 1yrr h ASP 329 Cb 0.23 -0.01 0.01 0.00 -0.83 0.00 0.00 39.33 38.72 1yrr h ASP 329 CO -0.20 0.24 -0.77 -0.08 -1.03 0.00 0.00 179.24 177.40 1yrr h GLU 330 N 0.52 0.76 -0.62 4.15 4.57 -1.50 -2.06 114.58 120.40 1yrr h GLU 330 Ca 0.28 -0.61 0.04 0.00 -1.18 0.00 0.00 59.36 57.89 1yrr h GLU 330 Cb 0.26 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 1yrr h GLU 330 CO -0.23 1.22 0.37 0.28 -1.18 0.00 0.00 179.01 179.48 1yrr h VAL 331 N 0.52 1.03 -0.89 0.32 2.07 -0.49 -1.14 116.25 117.67 1yrr h VAL 331 Ca -0.05 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1yrr h VAL 331 Cb 1.39 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1yrr h VAL 331 CO 0.16 0.13 0.53 -0.07 0.02 0.00 0.00 177.57 178.34 1yrr h LEU 332 N 0.71 1.08 -1.30 2.57 3.38 -0.92 -0.71 115.31 120.11 1yrr h LEU 332 Ca 0.26 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1yrr h LEU 332 Cb 0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1yrr h LEU 332 CO -0.13 0.83 0.16 0.03 0.09 0.00 0.00 178.44 179.43 1yrr h ARG 333 N 1.24 0.64 0.00 1.13 3.08 -0.81 -0.59 114.38 119.07 1yrr h ARG 333 Ca 0.32 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1yrr h ARG 333 Cb -0.04 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 1yrr h ARG 333 CO -0.06 0.55 -0.06 0.52 -1.07 0.00 0.00 179.97 179.85 1yrr h MET 334 N 0.64 0.00 -0.02 0.04 2.86 0.09 -1.24 114.93 117.29 1yrr h MET 334 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1yrr h MET 334 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1yrr h MET 334 CO -0.01 0.06 -0.08 0.00 1.06 0.00 0.00 176.91 177.94 1yrr n ALA 335 N -2.17 2.64 -1.07 6.32 0.00 -0.32 -1.61 120.51 124.31 1yrr n ALA 335 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1yrr n ALA 335 Cb 0.22 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1yrr n ALA 335 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yrr n THR 336 N 0.86 0.00 -0.29 0.00 -2.24 -0.67 -1.08 114.28 110.86 1yrr n THR 336 Ca 0.11 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.87 1yrr n THR 336 Cb 0.47 -0.04 0.10 0.00 -2.10 0.00 0.00 70.33 68.76 1yrr n THR 336 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1yrr h LEU 337 N 0.00 0.82 0.20 3.22 5.85 -1.43 -1.94 115.31 122.04 1yrr h LEU 337 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1yrr h LEU 337 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1yrr h LEU 337 CO 0.00 0.56 -0.10 1.88 -0.34 0.00 0.00 178.44 180.44 1yrr h TYR 338 N 0.96 -0.25 -0.78 1.25 0.05 -1.53 -0.96 116.97 115.71 1yrr h TYR 338 Ca 0.32 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.11 1yrr h TYR 338 Cb 0.04 0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.83 1yrr h TYR 338 CO -0.03 0.12 0.52 -1.00 -1.05 0.00 0.00 178.16 176.71 1yrr h PRO 339 N -0.70 1.01 -0.59 4.88 0.13 -1.76 -1.33 132.00 133.63 1yrr h PRO 339 Ca -0.03 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.09 1yrr h PRO 339 Cb 0.49 -0.23 -0.05 0.00 0.13 0.00 0.00 31.00 31.34 1yrr h PRO 339 CO 0.05 0.67 0.32 0.00 -0.23 0.00 0.00 178.00 178.80 1yrr h ALA 340 N 1.52 0.78 -0.50 -0.56 0.00 -1.21 -1.99 119.26 117.30 1yrr h ALA 340 Ca 0.29 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1yrr h ALA 340 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1yrr h ALA 340 CO -0.07 -0.01 -0.17 0.00 0.00 0.00 0.00 179.25 179.00 1yrr h ARG 341 N 0.60 1.00 -0.78 0.00 3.08 -0.84 -0.13 114.38 117.31 1yrr h ARG 341 Ca 0.26 -0.40 0.08 0.00 0.07 0.00 0.00 59.98 59.99 1yrr h ARG 341 Cb 0.15 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 1yrr h ARG 341 CO -0.17 1.08 0.44 0.00 -1.07 0.00 0.00 179.97 180.26 1yrr h ALA 342 N 0.89 1.09 -0.62 0.04 0.00 -0.76 -2.24 119.26 117.66 1yrr h ALA 342 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1yrr h ALA 342 Cb 0.74 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1yrr h ALA 342 CO 0.06 0.09 0.00 0.44 0.00 0.00 0.00 179.25 179.84 1yrr n ILE 343 N -4.75 1.55 -2.10 0.00 -5.35 -0.79 -4.98 119.36 102.93 1yrr n ILE 343 Ca 0.12 -1.16 -0.07 0.00 -0.27 0.00 0.00 62.75 61.36 1yrr n ILE 343 Cb 0.24 0.25 -0.00 0.00 -1.74 0.00 0.00 39.64 38.38 1yrr n ILE 343 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yrr n GLY 344 N 1.12 0.10 0.53 3.28 0.00 -0.67 -4.92 105.19 104.63 1yrr n GLY 344 Ca 0.24 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.73 1yrr n GLY 344 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yrr n VAL 345 N -3.96 1.48 0.32 1.61 0.24 -0.15 -4.73 118.33 113.14 1yrr n VAL 345 Ca -0.09 -1.41 0.20 0.00 -2.04 0.00 0.00 64.34 61.01 1yrr n VAL 345 Cb 0.55 0.19 1.11 0.00 -1.47 0.00 0.00 33.84 34.23 1yrr n VAL 345 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1yrr h GLU 346 N 1.35 0.00 -0.00 7.34 9.09 -1.70 -1.34 114.58 129.31 1yrr h GLU 346 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 1yrr h GLU 346 Cb 0.93 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.02 1yrr h GLU 346 CO 0.06 0.00 -0.33 0.87 0.05 0.00 0.00 179.01 179.66 1yrr h LYS 347 N 0.00 0.01 0.00 1.06 6.56 -1.93 -3.30 116.57 118.98 1yrr h LYS 347 Ca -0.00 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1yrr h LYS 347 Cb 0.00 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1yrr h LYS 347 CO 0.00 0.34 -1.00 2.89 -2.06 0.00 0.00 179.45 179.62 1yrr n ARG 348 N -4.14 1.66 -4.15 3.15 1.85 -0.83 -4.76 116.66 109.44 1yrr n ARG 348 Ca -0.02 -0.04 -0.10 0.00 -1.00 0.00 0.00 57.85 56.69 1yrr n ARG 348 Cb 0.37 -1.06 -0.10 0.00 -1.05 0.00 0.00 32.46 30.63 1yrr n ARG 348 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1yrr s LEU 349 N -3.12 2.19 0.00 2.89 1.43 -0.57 -0.57 118.68 120.94 1yrr s LEU 349 Ca -0.01 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 1yrr s LEU 349 Cb 0.05 0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.39 1yrr s LEU 349 CO 0.29 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 176.87 1yrr n GLY 350 N -0.05 0.44 3.14 -3.19 0.00 -1.26 -4.13 105.19 100.14 1yrr n GLY 350 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1yrr n GLY 350 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yrr s THR 351 N -2.10 0.16 -0.54 2.61 -4.23 -1.26 -3.11 115.64 107.16 1yrr s THR 351 Ca 0.00 -1.75 -0.18 0.00 -1.18 0.00 0.00 61.69 58.58 1yrr s THR 351 Cb 0.00 -1.72 0.09 0.00 1.34 0.00 0.00 72.50 72.21 1yrr s THR 351 CO 0.00 -0.71 0.60 -0.76 -0.54 0.00 0.00 174.62 173.21 1yrr s LEU 352 N -2.97 5.44 0.03 4.79 1.43 -0.57 -4.89 118.68 121.95 1yrr s LEU 352 Ca 0.14 -1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 51.68 1yrr s LEU 352 Cb 0.07 -2.31 0.05 0.00 0.03 0.00 0.00 46.19 44.03 1yrr s LEU 352 CO -0.05 -0.93 0.52 0.00 0.23 0.00 0.00 176.35 176.12 1yrr s ALA 353 N 2.32 -1.34 -0.29 4.21 0.00 -1.26 -4.78 121.76 120.63 1yrr s ALA 353 Ca 0.10 0.67 -0.43 0.00 0.00 0.00 0.00 51.96 52.29 1yrr s ALA 353 Cb -0.24 0.31 -0.19 0.00 0.00 0.00 0.00 23.12 23.00 1yrr s ALA 353 CO 0.07 -0.47 1.45 0.00 0.00 0.00 0.00 175.76 176.82 1yrr n ALA 354 N 0.53 -1.81 0.00 0.00 0.00 -1.26 -1.45 120.51 116.52 1yrr n ALA 354 Ca -0.19 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1yrr n ALA 354 Cb 0.60 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1yrr n ALA 354 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yrr n GLY 355 N 3.22 1.77 3.85 0.00 0.00 0.16 -5.01 105.19 109.18 1yrr n GLY 355 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 1yrr n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yrr s LYS 356 N -0.71 2.67 0.28 1.61 -0.14 -0.53 -4.80 119.74 118.12 1yrr s LYS 356 Ca 0.00 0.59 -0.30 0.00 -1.36 0.00 0.00 55.97 54.91 1yrr s LYS 356 Cb 0.00 -1.99 -0.11 0.00 -1.68 0.00 0.00 37.83 34.06 1yrr s LYS 356 CO 0.00 -1.20 1.48 0.08 -0.76 0.00 0.00 175.35 174.95 1yrr s VAL 357 N -3.24 2.44 -1.36 3.17 1.01 0.26 -1.29 120.40 121.38 1yrr s VAL 357 Ca 0.59 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.78 1yrr s VAL 357 Cb -0.12 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 33.06 1yrr s VAL 357 CO 0.53 0.07 1.99 0.00 0.00 0.00 0.00 175.10 177.68 1yrr n ALA 358 N 2.01 4.47 -3.74 5.51 0.00 -0.59 -4.59 120.51 123.58 1yrr n ALA 358 Ca 0.06 -3.83 -0.34 0.00 0.00 0.00 0.00 53.44 49.33 1yrr n ALA 358 Cb 0.39 -3.57 -0.14 0.00 0.00 0.00 0.00 19.45 16.13 1yrr n ALA 358 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1yrr s ASN 359 N 3.81 4.19 0.04 0.00 -0.87 -1.26 -0.69 114.94 120.16 1yrr s ASN 359 Ca 0.51 -0.79 -0.04 0.00 -1.57 0.00 0.00 52.86 50.97 1yrr s ASN 359 Cb 0.09 -1.65 -0.02 0.00 -0.02 0.00 0.00 41.25 39.65 1yrr s ASN 359 CO -0.00 -0.10 0.06 -0.76 -2.57 0.00 0.00 177.10 173.73 1yrr s LEU 360 N 1.34 1.99 0.03 0.60 1.02 -0.28 -1.16 118.68 122.22 1yrr s LEU 360 Ca 0.01 -0.66 0.01 0.00 0.02 0.00 0.00 54.13 53.51 1yrr s LEU 360 Cb -0.16 0.48 -0.02 0.00 0.02 0.00 0.00 46.19 46.51 1yrr s LEU 360 CO -0.05 -0.53 -0.05 0.28 0.02 0.00 0.00 176.35 176.02 1yrr s THR 361 N -2.93 0.30 0.09 5.49 -1.32 -0.51 -0.45 115.64 116.30 1yrr s THR 361 Ca -0.02 -1.03 0.09 0.00 -1.21 0.00 0.00 61.69 59.51 1yrr s THR 361 Cb 0.01 -0.48 -0.03 0.00 -1.51 0.00 0.00 72.50 70.49 1yrr s THR 361 CO -0.06 -0.48 -0.23 0.00 -2.21 0.00 0.00 174.62 171.64 1yrr s ALA 362 N -1.57 1.95 0.03 11.08 0.00 -0.23 -0.71 121.76 132.31 1yrr s ALA 362 Ca -0.12 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 1yrr s ALA 362 Cb -0.09 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1yrr s ALA 362 CO -0.01 0.42 0.24 -0.59 0.00 0.00 0.00 175.76 175.82 1yrr s PHE 363 N -1.03 -0.02 0.77 0.00 -0.12 -0.55 -0.35 117.98 116.67 1yrr s PHE 363 Ca 0.09 -0.13 -0.11 0.00 -0.05 0.00 0.00 56.93 56.72 1yrr s PHE 363 Cb -0.10 0.03 0.05 0.00 -0.63 0.00 0.00 43.02 42.37 1yrr s PHE 363 CO 0.04 -0.45 1.09 0.95 -0.05 0.00 0.00 175.22 176.80 1yrr s THR 364 N -2.39 3.34 0.49 -4.49 -4.23 -0.07 -0.68 115.64 107.61 1yrr s THR 364 Ca -0.06 0.43 0.34 0.00 -1.18 0.00 0.00 61.69 61.22 1yrr s THR 364 Cb -0.02 -3.18 0.34 0.00 1.34 0.00 0.00 72.50 70.98 1yrr s THR 364 CO -0.03 -0.57 2.03 -0.65 -0.54 0.00 0.00 174.62 174.86 1yrr h PRO 365 N -0.98 0.00 -0.54 3.99 0.11 -1.91 0.50 132.00 133.17 1yrr h PRO 365 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1yrr h PRO 365 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1yrr h PRO 365 CO 0.59 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 1yrr n ASP 366 N -2.81 2.66 -2.06 -2.05 8.00 -1.26 -4.94 116.55 114.10 1yrr n ASP 366 Ca -0.02 -2.18 -0.15 0.00 0.71 0.00 0.00 54.79 53.15 1yrr n ASP 366 Cb 0.19 -0.39 0.02 0.00 -0.02 0.00 0.00 41.12 40.93 1yrr n ASP 366 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1yrr n PHE 367 N 0.56 -1.30 -3.92 1.24 3.72 0.17 -5.02 117.46 112.92 1yrr n PHE 367 Ca 0.14 0.35 -0.35 0.00 -0.05 0.00 0.00 57.45 57.54 1yrr n PHE 367 Cb 0.49 -3.29 -0.10 0.00 -0.94 0.00 0.00 39.48 35.64 1yrr n PHE 367 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1yrr s LYS 368 N -5.31 3.97 0.17 -1.08 2.20 -1.25 -4.87 119.74 113.57 1yrr s LYS 368 Ca 0.21 -0.34 -0.31 0.00 -0.36 0.00 0.00 55.97 55.17 1yrr s LYS 368 Cb -0.09 -3.28 -0.09 0.00 -1.51 0.00 0.00 37.83 32.85 1yrr s LYS 368 CO 0.25 0.20 1.45 0.42 -0.36 0.00 0.00 175.35 177.32 1yrr s ILE 369 N 0.59 2.94 -0.10 5.43 -1.09 -1.26 -0.89 121.20 126.81 1yrr s ILE 369 Ca 0.04 0.70 0.09 0.00 -2.23 0.00 0.00 60.65 59.25 1yrr s ILE 369 Cb -0.13 -3.45 -0.12 0.00 -1.58 0.00 0.00 42.46 37.18 1yrr s ILE 369 CO 0.01 0.07 0.03 0.35 -1.23 0.00 0.00 174.94 174.17 1yrr n THR 370 N 3.51 0.70 -3.88 2.92 -2.24 0.52 -4.62 114.28 111.19 1yrr n THR 370 Ca 0.11 -0.42 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 1yrr n THR 370 Cb 0.41 -0.74 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 1yrr n THR 370 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1yrr s LYS 371 N -2.25 0.36 -0.01 -0.78 1.02 -1.10 -0.88 119.74 116.11 1yrr s LYS 371 Ca -0.06 -0.27 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1yrr s LYS 371 Cb 0.03 0.15 -0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1yrr s LYS 371 CO 0.41 -0.08 -0.08 0.99 -0.92 0.00 0.00 175.35 175.67 1yrr s THR 372 N -0.98 0.66 -0.05 2.17 2.01 -0.82 -1.07 115.64 117.55 1yrr s THR 372 Ca -0.11 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1yrr s THR 372 Cb -0.06 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 71.91 1yrr s THR 372 CO 0.01 0.19 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.43 1yrr s ILE 373 N -0.10 0.74 -0.08 1.82 1.01 0.40 -0.76 121.20 124.24 1yrr s ILE 373 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1yrr s ILE 373 Cb -0.04 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.73 1yrr s ILE 373 CO -0.00 0.27 -0.06 -0.69 0.00 0.00 0.00 174.94 174.46 1yrr s VAL 374 N 0.81 0.77 -1.53 2.92 1.01 -0.08 -1.13 120.40 123.17 1yrr s VAL 374 Ca -0.13 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 1yrr s VAL 374 Cb -0.15 -0.80 0.15 0.00 0.00 0.00 0.00 36.38 35.58 1yrr s VAL 374 CO 0.01 0.30 0.63 0.59 0.00 0.00 0.00 175.10 176.64 1yrr n ASN 375 N 4.50 -2.97 0.00 3.32 3.02 -0.91 -1.15 115.26 121.07 1yrr n ASN 375 Ca -0.17 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1yrr n ASN 375 Cb 0.51 -2.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.20 1yrr n ASN 375 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yrr n GLY 376 N -1.21 1.86 3.78 7.41 0.00 0.13 -3.85 105.19 113.31 1yrr n GLY 376 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1yrr n GLY 376 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yrr s ASN 377 N -3.42 6.33 -0.52 1.61 0.01 -0.30 -4.95 114.94 113.70 1yrr s ASN 377 Ca 0.00 0.38 -0.28 0.00 -0.71 0.00 0.00 52.86 52.25 1yrr s ASN 377 Cb 0.00 -2.11 0.02 0.00 0.41 0.00 0.00 41.25 39.57 1yrr s ASN 377 CO 0.00 0.24 1.32 -0.70 -1.51 0.00 0.00 177.10 176.46 1yrr s GLU 378 N -0.10 3.46 -0.01 -0.60 2.12 -1.26 -0.90 118.70 121.41 1yrr s GLU 378 Ca 0.12 0.52 0.22 0.00 0.36 0.00 0.00 54.97 56.19 1yrr s GLU 378 Cb -0.12 -4.05 -0.25 0.00 0.26 0.00 0.00 34.13 29.97 1yrr s GLU 378 CO 0.01 -1.73 0.74 1.33 -0.54 0.00 0.00 175.26 175.07 1yrr n VAL 379 N 6.86 0.02 -4.05 3.70 0.24 0.06 -4.84 118.33 120.32 1yrr n VAL 379 Ca 0.12 -0.23 -0.18 0.00 -2.04 0.00 0.00 64.34 62.01 1yrr n VAL 379 Cb 0.49 0.51 -0.16 0.00 -1.47 0.00 0.00 33.84 33.21 1yrr n VAL 379 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1yrr s VAL 380 N -3.24 0.34 -0.21 3.34 1.01 -1.13 -4.94 120.40 115.58 1yrr s VAL 380 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1yrr s VAL 380 Cb 0.15 -0.39 0.06 0.00 0.00 0.00 0.00 36.38 36.20 1yrr s VAL 380 CO 0.88 0.17 0.01 -0.89 0.00 0.00 0.00 175.10 175.28 1yrr s THR 381 N 0.89 0.77 0.00 3.92 2.01 -1.26 -1.95 115.64 120.02 1yrr s THR 381 Ca -0.10 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1yrr s THR 381 Cb -0.13 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.15 1yrr s THR 381 CO -0.01 -0.19 0.11 0.00 -0.69 0.00 0.00 174.62 173.84