#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ofn s GLN 2 N 0.00 2.72 0.01 2.12 -0.21 -0.62 -4.94 119.66 118.74 1ofn s GLN 2 Ca 0.00 -0.63 0.07 0.00 0.02 0.00 0.00 55.36 54.82 1ofn s GLN 2 Cb 0.00 -2.62 -0.03 0.00 1.00 0.00 0.00 33.01 31.37 1ofn s GLN 2 CO 0.00 0.63 -0.20 0.00 -2.12 0.00 0.00 175.29 173.59 1ofn s ALA 3 N -1.01 2.46 -0.05 6.09 0.00 -1.26 -0.51 121.76 127.48 1ofn s ALA 3 Ca 0.17 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 1ofn s ALA 3 Cb -0.11 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1ofn s ALA 3 CO 0.08 0.55 0.01 0.50 0.00 0.00 0.00 175.76 176.90 1ofn s ARG 4 N -1.11 0.41 0.16 0.00 3.52 0.12 -4.99 118.95 117.06 1ofn s ARG 4 Ca 0.13 0.12 -0.31 0.00 -0.13 0.00 0.00 55.73 55.54 1ofn s ARG 4 Cb -0.10 -0.70 -0.08 0.00 -1.56 0.00 0.00 34.95 32.50 1ofn s ARG 4 CO 0.03 -0.22 1.34 0.15 -0.81 0.00 0.00 175.30 175.78 1ofn s LYS 5 N 1.54 4.36 0.69 5.12 1.02 -1.26 -0.90 119.74 130.30 1ofn s LYS 5 Ca -0.02 2.05 -0.03 0.00 0.02 0.00 0.00 55.97 57.98 1ofn s LYS 5 Cb -0.13 -3.22 0.09 0.00 -0.52 0.00 0.00 37.83 34.04 1ofn s LYS 5 CO -0.03 -0.33 0.97 -0.51 -0.92 0.00 0.00 175.35 174.53 1ofn s LEU 6 N 0.47 2.98 0.53 3.17 1.43 -0.45 -4.92 118.68 121.89 1ofn s LEU 6 Ca 0.60 0.06 0.31 0.00 -1.03 0.00 0.00 54.13 54.07 1ofn s LEU 6 Cb -0.36 -2.63 1.27 0.00 0.03 0.00 0.00 46.19 44.50 1ofn s LEU 6 CO 0.34 -1.65 1.95 0.00 0.23 0.00 0.00 176.35 177.22 1ofn h ALA 7 N -0.48 1.01 -2.47 4.21 0.00 -1.88 -3.41 119.26 116.24 1ofn h ALA 7 Ca -0.41 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 53.86 1ofn h ALA 7 Cb 1.29 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 1ofn h ALA 7 CO 0.50 0.06 0.23 0.08 0.00 0.00 0.00 179.25 180.12 1ofn s VAL 8 N -3.67 4.96 -0.07 0.00 1.01 -1.26 -4.88 120.40 116.48 1ofn s VAL 8 Ca 0.01 1.30 -0.36 0.00 0.00 0.00 0.00 61.98 62.93 1ofn s VAL 8 Cb 0.09 -4.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.33 1ofn s VAL 8 CO 0.56 0.04 1.71 -0.67 0.00 0.00 0.00 175.10 176.74 1ofn n ASP 9 N 5.44 2.82 0.00 3.32 -0.08 -1.26 -1.31 116.55 125.48 1ofn n ASP 9 Ca 0.01 1.04 0.00 0.00 -1.51 0.00 0.00 54.79 54.33 1ofn n ASP 9 Cb 0.49 -1.29 0.00 0.00 2.34 0.00 0.00 41.12 42.66 1ofn n ASP 9 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ofn n GLY 10 N 3.89 3.25 3.76 0.27 0.00 -1.26 -4.91 105.19 110.19 1ofn n GLY 10 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1ofn n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ofn s ALA 11 N -2.23 3.32 -0.01 4.61 0.00 -0.43 -4.65 121.76 122.38 1ofn s ALA 11 Ca 0.00 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.81 1ofn s ALA 11 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1ofn s ALA 11 CO 0.00 -0.17 -0.03 0.42 0.00 0.00 0.00 175.76 175.98 1ofn s ILE 12 N -1.28 0.25 -0.23 0.00 1.01 -1.05 -1.34 121.20 118.56 1ofn s ILE 12 Ca 0.48 -0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.93 1ofn s ILE 12 Cb -0.29 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 1ofn s ILE 12 CO 0.38 0.09 0.11 -0.70 0.00 0.00 0.00 174.94 174.81 1ofn s GLU 13 N 0.08 3.91 -0.11 2.79 2.12 -0.08 -0.97 118.70 126.43 1ofn s GLU 13 Ca -0.00 -0.36 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 1ofn s GLU 13 Cb -0.03 -3.41 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 1ofn s GLU 13 CO -0.00 0.01 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.58 1ofn s PHE 14 N 1.14 2.90 -0.33 5.30 0.08 0.63 -0.70 117.98 126.99 1ofn s PHE 14 Ca 0.06 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1ofn s PHE 14 Cb -0.14 -1.82 0.08 0.00 -0.57 0.00 0.00 43.02 40.57 1ofn s PHE 14 CO 0.04 0.03 0.04 0.99 -0.10 0.00 0.00 175.22 176.22 1ofn s THR 15 N -0.06 2.74 0.49 0.64 2.01 0.33 -0.76 115.64 121.03 1ofn s THR 15 Ca -0.01 -1.84 -0.18 0.00 0.31 0.00 0.00 61.69 59.98 1ofn s THR 15 Cb -0.14 -2.77 -0.09 0.00 0.01 0.00 0.00 72.50 69.52 1ofn s THR 15 CO 0.03 -0.36 0.98 -2.16 -0.69 0.00 0.00 174.62 172.42 1ofn s PRO 16 N 1.11 4.03 0.29 4.92 0.04 -1.26 -1.58 135.00 142.55 1ofn s PRO 16 Ca 0.01 1.02 -0.28 0.00 0.04 0.00 0.00 61.00 61.79 1ofn s PRO 16 Cb -0.20 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 1ofn s PRO 16 CO -0.04 -0.20 1.03 0.50 0.04 0.00 0.00 177.00 178.33 1ofn s ARG 17 N -3.76 4.61 -0.26 4.56 3.52 -1.26 -4.82 118.95 121.54 1ofn s ARG 17 Ca 0.60 1.62 -0.17 0.00 -0.13 0.00 0.00 55.73 57.65 1ofn s ARG 17 Cb -0.10 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 1ofn s ARG 17 CO 0.25 0.24 0.47 0.08 -0.81 0.00 0.00 175.30 175.54 1ofn s VAL 18 N -1.30 5.10 -0.15 7.11 1.01 -1.26 -4.56 120.40 126.36 1ofn s VAL 18 Ca 0.46 0.79 -0.09 0.00 0.00 0.00 0.00 61.98 63.15 1ofn s VAL 18 Cb -0.27 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1ofn s VAL 18 CO 0.35 0.11 0.16 -0.36 0.00 0.00 0.00 175.10 175.35 1ofn s PHE 19 N 2.23 3.52 0.02 5.22 0.08 -0.30 -4.96 117.98 123.79 1ofn s PHE 19 Ca 0.19 0.47 0.02 0.00 0.12 0.00 0.00 56.93 57.74 1ofn s PHE 19 Cb -0.16 -2.07 -0.01 0.00 -0.57 0.00 0.00 43.02 40.21 1ofn s PHE 19 CO 0.09 0.52 -0.08 0.00 -0.10 0.00 0.00 175.22 175.65 1ofn s ALA 20 N -0.37 0.62 0.04 5.36 0.00 -1.26 -0.81 121.76 125.35 1ofn s ALA 20 Ca 0.13 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 1ofn s ALA 20 Cb -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1ofn s ALA 20 CO 0.02 0.09 0.06 -0.40 0.00 0.00 0.00 175.76 175.53 1ofn n ASP 21 N 2.25 -0.17 0.15 0.00 5.68 -0.54 -5.02 116.55 118.90 1ofn n ASP 21 Ca -0.17 -1.18 0.13 0.00 -0.50 0.00 0.00 54.79 53.06 1ofn n ASP 21 Cb 0.56 0.30 0.54 0.00 -1.14 0.00 0.00 41.12 41.38 1ofn n ASP 21 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ofn h ASP 22 N 0.20 0.00 1.10 -1.12 3.32 -2.05 -2.57 116.42 115.30 1ofn h ASP 22 Ca -0.03 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 1ofn h ASP 22 Cb 0.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1ofn h ASP 22 CO 0.04 0.00 -0.95 0.03 -1.72 0.00 0.00 179.24 176.64 1ofn h ARG 23 N 0.00 0.00 0.00 3.56 3.08 -2.02 -3.50 114.38 115.50 1ofn h ARG 23 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ofn h ARG 23 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1ofn h ARG 23 CO 0.00 0.44 0.00 0.41 -1.07 0.00 0.00 179.97 179.75 1ofn n GLY 24 N 1.31 -0.11 3.07 0.04 0.00 -0.97 -5.14 105.19 103.39 1ofn n GLY 24 Ca -0.03 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 1ofn n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ofn s LEU 25 N 0.00 2.38 -0.14 0.99 1.43 -1.26 -1.47 118.68 120.61 1ofn s LEU 25 Ca 0.00 -0.87 -0.10 0.00 -1.03 0.00 0.00 54.13 52.14 1ofn s LEU 25 Cb 0.00 0.22 0.05 0.00 0.03 0.00 0.00 46.19 46.49 1ofn s LEU 25 CO 0.00 -0.54 0.36 -0.22 0.23 0.00 0.00 176.35 176.18 1ofn s LEU 26 N -2.59 0.27 0.16 1.79 0.20 0.01 -4.99 118.68 113.54 1ofn s LEU 26 Ca 0.02 0.76 0.06 0.00 0.69 0.00 0.00 54.13 55.66 1ofn s LEU 26 Cb 0.04 1.19 -0.04 0.00 -0.43 0.00 0.00 46.19 46.94 1ofn s LEU 26 CO -0.08 -0.16 -0.12 0.27 -0.29 0.00 0.00 176.35 175.96 1ofn s ILE 27 N 0.92 1.40 -0.58 6.68 -4.36 -1.26 -1.15 121.20 122.85 1ofn s ILE 27 Ca -0.06 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.30 1ofn s ILE 27 Cb -0.07 -1.84 0.15 0.00 1.25 0.00 0.00 42.46 41.95 1ofn s ILE 27 CO -0.07 -0.62 0.36 -0.76 0.24 0.00 0.00 174.94 174.08 1ofn s LEU 28 N -3.06 4.82 0.33 0.37 2.01 -1.26 -5.00 118.68 116.90 1ofn s LEU 28 Ca 0.17 -2.92 0.02 0.00 0.01 0.00 0.00 54.13 51.41 1ofn s LEU 28 Cb -0.00 -1.76 0.58 0.00 0.01 0.00 0.00 46.19 45.02 1ofn s LEU 28 CO 0.03 -0.31 1.91 -0.65 1.01 0.00 0.00 176.35 178.35 1ofn h PRO 29 N 6.79 0.69 -5.22 1.29 0.11 -1.99 -3.40 132.00 130.27 1ofn h PRO 29 Ca -0.04 -0.11 -0.67 0.00 0.11 0.00 0.00 66.00 65.29 1ofn h PRO 29 Cb 0.92 -0.12 -0.32 0.00 0.11 0.00 0.00 31.00 31.60 1ofn h PRO 29 CO 0.70 0.59 -0.83 -0.47 -0.21 0.00 0.00 178.00 177.77 1ofn s TYR 30 N -5.28 2.72 -0.09 0.65 5.04 -1.26 -4.78 117.35 114.35 1ofn s TYR 30 Ca -0.09 -1.13 -0.01 0.00 -2.44 0.00 0.00 57.07 53.40 1ofn s TYR 30 Cb 0.16 -1.84 0.03 0.00 0.35 0.00 0.00 41.96 40.66 1ofn s TYR 30 CO 0.77 -0.50 -0.01 -0.65 -1.34 0.00 0.00 175.55 173.82 1ofn s GLN 31 N 0.74 0.80 0.19 4.97 -0.21 -1.26 -5.05 119.66 119.84 1ofn s GLN 31 Ca -0.08 -0.03 -0.12 0.00 0.02 0.00 0.00 55.36 55.16 1ofn s GLN 31 Cb -0.16 -1.23 0.17 0.00 1.00 0.00 0.00 33.01 32.79 1ofn s GLN 31 CO 0.01 -0.34 1.80 1.49 -2.12 0.00 0.00 175.29 176.12 1ofn h GLU 32 N 8.29 0.56 -0.09 2.91 4.81 -1.99 0.31 114.58 129.38 1ofn h GLU 32 Ca -0.21 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1ofn h GLU 32 Cb 1.12 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1ofn h GLU 32 CO 0.30 0.37 -0.03 1.49 -0.73 0.00 0.00 179.01 180.41 1ofn h GLU 33 N 0.58 -0.01 -0.63 1.92 4.81 -1.99 0.74 114.58 119.99 1ofn h GLU 33 Ca 0.25 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1ofn h GLU 33 Cb 0.14 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1ofn h GLU 33 CO -0.16 -0.01 0.23 0.00 -0.73 0.00 0.00 179.01 178.34 1ofn h ALA 34 N 1.08 0.82 -0.38 2.92 0.00 -1.87 -2.32 119.26 119.51 1ofn h ALA 34 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ofn h ALA 34 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ofn h ALA 34 CO -0.10 0.46 0.16 0.35 0.00 0.00 0.00 179.25 180.13 1ofn h PHE 35 N 0.89 0.57 -0.70 0.00 3.57 -0.57 -2.04 116.94 118.66 1ofn h PHE 35 Ca 0.21 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 1ofn h PHE 35 Cb 0.24 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1ofn h PHE 35 CO 0.02 0.50 0.25 0.28 -2.23 0.00 0.00 178.31 177.12 1ofn h VAL 36 N 0.47 1.25 -0.84 1.41 2.07 -0.80 0.18 116.25 119.99 1ofn h VAL 36 Ca 0.13 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1ofn h VAL 36 Cb 0.16 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1ofn h VAL 36 CO -0.01 0.32 0.46 -0.08 0.02 0.00 0.00 177.57 178.28 1ofn h GLU 37 N 1.03 1.18 0.21 1.57 4.81 -1.24 0.78 114.58 122.92 1ofn h GLU 37 Ca 0.23 -0.14 -0.33 0.00 -0.13 0.00 0.00 59.36 58.99 1ofn h GLU 37 Cb 0.24 -0.23 0.02 0.00 0.63 0.00 0.00 28.75 29.42 1ofn h GLU 37 CO -0.01 0.87 -1.53 0.00 -0.73 0.00 0.00 179.01 177.60 1ofn h ALA 38 N 1.25 -0.00 0.00 2.92 0.00 -0.83 -3.39 119.26 119.21 1ofn h ALA 38 Ca 0.30 -0.97 -0.34 0.00 0.00 0.00 0.00 54.91 53.90 1ofn h ALA 38 Cb 0.03 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1ofn h ALA 38 CO -0.05 0.87 -2.15 1.58 0.00 0.00 0.00 179.25 179.49 1ofn n HIS 39 N -3.63 0.35 0.00 0.00 -0.00 0.59 -5.01 115.22 107.53 1ofn n HIS 39 Ca -0.18 0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 1ofn n HIS 39 Cb 1.08 -1.07 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 1ofn n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ofn n GLY 40 N 1.69 0.50 3.79 1.57 0.00 0.27 -5.04 105.19 107.95 1ofn n GLY 40 Ca -0.28 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 1ofn n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ofn s GLY 41 N -1.38 -0.14 0.79 -0.02 0.00 -1.24 -4.86 107.32 100.47 1ofn s GLY 41 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 44.72 44.58 1ofn s GLY 41 CO 0.00 0.28 1.15 2.56 0.00 0.00 0.00 173.10 177.09 1ofn s PRO 42 N -3.15 2.11 0.65 2.90 0.04 -1.23 -4.02 135.00 132.30 1ofn s PRO 42 Ca 0.14 0.26 -0.18 0.00 0.04 0.00 0.00 61.00 61.26 1ofn s PRO 42 Cb -0.02 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1ofn s PRO 42 CO 0.04 -1.52 1.15 -0.11 0.04 0.00 0.00 177.00 176.59 1ofn n LEU 43 N -3.30 5.02 -4.51 -3.56 7.94 -1.26 -4.53 117.00 112.80 1ofn n LEU 43 Ca 0.07 0.80 -0.37 0.00 -1.11 0.00 0.00 56.01 55.40 1ofn n LEU 43 Cb 0.59 -1.49 0.05 0.00 0.53 0.00 0.00 43.42 43.11 1ofn n LEU 43 CO 0.57 -1.41 0.21 2.22 -1.11 0.00 0.00 177.39 177.87 1ofn n PHE 44 N -1.97 -0.28 -1.70 1.96 1.16 -1.26 -4.85 117.46 110.53 1ofn n PHE 44 Ca 0.15 0.41 -0.43 0.00 -1.87 0.00 0.00 57.45 55.70 1ofn n PHE 44 Cb 0.48 -1.99 -0.02 0.00 -1.61 0.00 0.00 39.48 36.34 1ofn n PHE 44 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 1ofn n ARG 45 N -0.63 2.35 -3.01 3.97 0.63 -1.26 -4.93 116.66 113.78 1ofn n ARG 45 Ca 0.12 0.84 -0.42 0.00 -0.92 0.00 0.00 57.85 57.47 1ofn n ARG 45 Cb 0.48 -2.56 -0.06 0.00 0.45 0.00 0.00 32.46 30.78 1ofn n ARG 45 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1ofn s VAL 46 N 0.05 4.82 -0.09 5.15 1.01 -1.26 -4.44 120.40 125.65 1ofn s VAL 46 Ca 0.67 0.98 0.15 0.00 0.00 0.00 0.00 61.98 63.78 1ofn s VAL 46 Cb -0.58 -4.12 -0.16 0.00 0.00 0.00 0.00 36.38 31.53 1ofn s VAL 46 CO 0.48 -0.27 0.83 0.00 0.00 0.00 0.00 175.10 176.14 1ofn h ALA 47 N 8.25 0.68 -1.64 5.51 0.00 -1.33 -3.49 119.26 127.24 1ofn h ALA 47 Ca -0.25 -1.02 0.06 0.00 0.00 0.00 0.00 54.91 53.70 1ofn h ALA 47 Cb 1.10 0.31 -0.23 0.00 0.00 0.00 0.00 17.79 18.97 1ofn h ALA 47 CO 0.86 1.12 0.48 -1.14 0.00 0.00 0.00 179.25 180.57 1ofn s GLN 48 N -2.82 0.66 0.23 0.00 0.74 -1.22 -4.68 119.66 112.57 1ofn s GLN 48 Ca -0.03 0.23 0.11 0.00 0.05 0.00 0.00 55.36 55.72 1ofn s GLN 48 Cb 0.08 0.31 -0.05 0.00 1.10 0.00 0.00 33.01 34.46 1ofn s GLN 48 CO 0.81 -0.19 -0.21 0.95 -0.55 0.00 0.00 175.29 176.10 1ofn s THR 49 N -0.95 2.31 -0.01 -0.34 -4.23 -1.26 -1.10 115.64 110.05 1ofn s THR 49 Ca -0.03 -2.22 0.06 0.00 -1.18 0.00 0.00 61.69 58.32 1ofn s THR 49 Cb -0.01 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 1ofn s THR 49 CO 0.02 -0.32 -0.19 -0.63 -0.54 0.00 0.00 174.62 172.96 1ofn s ILE 50 N -2.23 1.49 -0.27 2.99 -1.09 -0.51 -4.98 121.20 116.60 1ofn s ILE 50 Ca 0.25 -0.84 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 1ofn s ILE 50 Cb -0.06 -1.25 0.08 0.00 -1.58 0.00 0.00 42.46 39.65 1ofn s ILE 50 CO 0.12 0.39 0.01 -2.28 -1.23 0.00 0.00 174.94 171.95 1ofn s HIS 51 N -0.48 2.43 -0.14 3.97 5.65 -1.26 -1.13 115.29 124.33 1ofn s HIS 51 Ca 0.07 -1.96 -0.01 0.00 0.25 0.00 0.00 55.06 53.41 1ofn s HIS 51 Cb -0.07 -1.86 -0.02 0.00 -1.18 0.00 0.00 32.58 29.45 1ofn s HIS 51 CO -0.00 -0.83 -0.11 0.45 -0.65 0.00 0.00 174.74 173.60 1ofn s SER 52 N 1.37 4.19 -0.07 9.88 0.15 -0.32 -4.97 113.70 123.93 1ofn s SER 52 Ca 0.02 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.41 1ofn s SER 52 Cb -0.18 -1.65 -0.02 0.00 -1.71 0.00 0.00 66.02 62.45 1ofn s SER 52 CO -0.11 0.16 -0.16 -0.32 1.20 0.00 0.00 173.24 174.01 1ofn s MET 53 N 0.38 2.68 0.03 5.44 1.75 -1.26 -0.81 119.30 127.51 1ofn s MET 53 Ca -0.09 -0.72 0.03 0.00 -1.25 0.00 0.00 55.69 53.66 1ofn s MET 53 Cb -0.15 -2.40 -0.02 0.00 2.84 0.00 0.00 34.83 35.10 1ofn s MET 53 CO 0.05 0.51 -0.10 -1.12 -0.65 0.00 0.00 175.02 173.71 1ofn s SER 54 N -0.43 1.11 0.65 1.11 0.01 0.01 -4.94 113.70 111.21 1ofn s SER 54 Ca 0.05 -0.40 -0.14 0.00 1.31 0.00 0.00 55.95 56.77 1ofn s SER 54 Cb -0.12 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 1ofn s SER 54 CO 0.02 -0.04 1.08 -0.54 0.41 0.00 0.00 173.24 174.16 1ofn s LYS 55 N -1.03 3.00 0.29 12.44 1.02 -1.26 -1.88 119.74 132.32 1ofn s LYS 55 Ca -0.02 1.21 -0.30 0.00 0.02 0.00 0.00 55.97 56.88 1ofn s LYS 55 Cb -0.07 -1.99 -0.12 0.00 -0.52 0.00 0.00 37.83 35.13 1ofn s LYS 55 CO 0.01 -1.07 1.60 -2.13 -0.92 0.00 0.00 175.35 172.84 1ofn n ARG 56 N -2.47 2.69 -0.12 1.68 0.63 -1.22 -1.90 116.66 115.96 1ofn n ARG 56 Ca 0.09 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 57.98 1ofn n ARG 56 Cb 0.53 -2.74 0.00 0.00 0.45 0.00 0.00 32.46 30.70 1ofn n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ofn n GLY 57 N 2.23 1.16 3.75 5.14 0.00 0.26 -4.87 105.19 112.87 1ofn n GLY 57 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1ofn n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ofn s VAL 58 N -2.56 2.65 -0.17 1.61 1.01 -0.80 -1.51 120.40 120.63 1ofn s VAL 58 Ca 0.00 0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.57 1ofn s VAL 58 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1ofn s VAL 58 CO 0.00 0.11 -0.18 -0.69 0.00 0.00 0.00 175.10 174.34 1ofn s VAL 59 N -0.37 1.92 -0.16 2.92 1.01 -0.60 -1.19 120.40 123.94 1ofn s VAL 59 Ca 0.56 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1ofn s VAL 59 Cb -0.41 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1ofn s VAL 59 CO 0.47 0.49 -0.06 -0.13 0.00 0.00 0.00 175.10 175.87 1ofn s ARG 60 N 1.34 3.57 0.00 2.72 0.52 -0.50 -4.55 118.95 122.04 1ofn s ARG 60 Ca 0.04 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1ofn s ARG 60 Cb -0.13 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.46 1ofn s ARG 60 CO -0.12 0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.77 1ofn n GLY 61 N 3.75 0.81 3.73 -3.53 0.00 -1.26 -1.18 105.19 107.51 1ofn n GLY 61 Ca -0.18 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.28 1ofn n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ofn s ILE 62 N -0.95 4.66 -0.01 -0.61 1.01 0.04 -4.30 121.20 121.05 1ofn s ILE 62 Ca 0.00 1.92 0.04 0.00 0.00 0.00 0.00 60.65 62.61 1ofn s ILE 62 Cb 0.00 -4.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1ofn s ILE 62 CO 0.00 0.29 -0.13 -1.00 0.00 0.00 0.00 174.94 174.10 1ofn s HIS 63 N 0.23 2.72 0.14 3.97 3.76 0.20 -0.56 115.29 125.74 1ofn s HIS 63 Ca 0.45 -0.15 -0.14 0.00 -0.15 0.00 0.00 55.06 55.08 1ofn s HIS 63 Cb -0.22 -1.58 0.02 0.00 1.11 0.00 0.00 32.58 31.91 1ofn s HIS 63 CO 0.27 0.26 0.37 1.52 -0.85 0.00 0.00 174.74 176.30 1ofn s TYR 64 N -0.85 -0.04 -0.14 1.40 -0.85 -0.69 -1.46 117.35 114.71 1ofn s TYR 64 Ca 0.14 -0.31 -0.07 0.00 -0.52 0.00 0.00 57.07 56.30 1ofn s TYR 64 Cb -0.11 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 1ofn s TYR 64 CO 0.04 -0.72 0.11 0.99 -1.52 0.00 0.00 175.55 174.45 1ofn s THR 65 N -3.85 5.21 0.16 -3.49 2.01 -1.26 -0.67 115.64 113.75 1ofn s THR 65 Ca 0.07 0.10 -0.34 0.00 0.31 0.00 0.00 61.69 61.83 1ofn s THR 65 Cb 0.02 -3.30 -0.15 0.00 0.01 0.00 0.00 72.50 69.08 1ofn s THR 65 CO -0.08 0.55 1.31 0.52 -0.69 0.00 0.00 174.62 176.22 1ofn n VAL 66 N 2.62 0.55 -3.90 3.82 0.31 0.28 -4.58 118.33 117.43 1ofn n VAL 66 Ca -0.18 -0.14 -0.27 0.00 -0.01 0.00 0.00 64.34 63.74 1ofn n VAL 66 Cb 0.54 -1.04 -0.17 0.00 -0.91 0.00 0.00 33.84 32.26 1ofn n VAL 66 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ofn s THR 67 N 0.15 1.03 0.76 2.52 2.01 -1.26 -1.12 115.64 119.73 1ofn s THR 67 Ca 0.76 -0.38 -0.13 0.00 0.31 0.00 0.00 61.69 62.25 1ofn s THR 67 Cb -0.82 -1.10 0.06 0.00 0.01 0.00 0.00 72.50 70.64 1ofn s THR 67 CO 0.48 0.29 1.15 -2.16 -0.69 0.00 0.00 174.62 173.70 1ofn s PRO 68 N 1.70 2.07 0.25 4.92 0.05 -1.26 -4.62 135.00 138.10 1ofn s PRO 68 Ca 0.04 1.52 0.15 0.00 0.05 0.00 0.00 61.00 62.75 1ofn s PRO 68 Cb -0.13 -1.85 0.03 0.00 0.05 0.00 0.00 34.50 32.60 1ofn s PRO 68 CO -0.08 -1.84 1.36 -1.00 0.05 0.00 0.00 177.00 175.49 1ofn h PRO 69 N -0.72 0.00 -0.93 0.56 0.13 -1.83 -3.52 132.00 125.68 1ofn h PRO 69 Ca -0.46 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.77 1ofn h PRO 69 Cb 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1ofn h PRO 69 CO 0.49 0.48 -0.29 0.41 -0.23 0.00 0.00 178.00 178.86 1ofn n GLY 70 N 1.25 -2.46 2.94 1.56 0.00 -0.28 -5.02 105.19 103.18 1ofn n GLY 70 Ca 0.01 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 1ofn n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ofn s THR 71 N -2.82 -0.03 0.10 2.61 2.01 -1.26 -4.76 115.64 111.50 1ofn s THR 71 Ca 0.00 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.14 1ofn s THR 71 Cb 0.00 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 1ofn s THR 71 CO 0.00 0.04 0.13 0.00 -0.69 0.00 0.00 174.62 174.10 1ofn s ALA 72 N 0.72 3.66 0.05 7.40 0.00 -1.26 -3.97 121.76 128.36 1ofn s ALA 72 Ca -0.05 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 1ofn s ALA 72 Cb -0.07 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1ofn s ALA 72 CO -0.03 0.68 -0.04 0.15 0.00 0.00 0.00 175.76 176.52 1ofn s LYS 73 N -2.66 0.59 -0.07 0.00 1.02 -0.58 -1.53 119.74 116.50 1ofn s LYS 73 Ca 0.31 -1.09 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 1ofn s LYS 73 Cb -0.12 0.08 0.03 0.00 -0.52 0.00 0.00 37.83 37.30 1ofn s LYS 73 CO 0.24 -0.07 0.00 -0.47 -0.92 0.00 0.00 175.35 174.13 1ofn s TYR 74 N -3.22 0.64 0.02 3.18 5.04 -0.52 -0.90 117.35 121.60 1ofn s TYR 74 Ca 0.02 -0.15 0.03 0.00 -2.44 0.00 0.00 57.07 54.53 1ofn s TYR 74 Cb 0.03 -0.78 -0.02 0.00 0.35 0.00 0.00 41.96 41.54 1ofn s TYR 74 CO -0.07 -0.32 -0.10 0.54 -1.34 0.00 0.00 175.55 174.27 1ofn s VAL 75 N 1.93 0.74 0.15 3.14 0.11 -0.22 -1.10 120.40 125.15 1ofn s VAL 75 Ca 0.04 -0.75 -0.09 0.00 -2.93 0.00 0.00 61.98 58.25 1ofn s VAL 75 Cb -0.12 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 1ofn s VAL 75 CO -0.05 -0.04 0.26 -0.72 -3.33 0.00 0.00 175.10 171.21 1ofn s TYR 76 N -0.73 0.36 -0.40 1.54 -0.85 -0.65 -0.69 117.35 115.94 1ofn s TYR 76 Ca -0.01 -0.74 -0.16 0.00 -0.52 0.00 0.00 57.07 55.64 1ofn s TYR 76 Cb -0.06 -0.07 0.01 0.00 0.38 0.00 0.00 41.96 42.22 1ofn s TYR 76 CO 0.00 -0.68 0.38 0.00 -1.52 0.00 0.00 175.55 173.74 1ofn n ALA 78 N 5.42 3.03 -3.62 0.00 0.00 0.18 -4.86 120.51 120.67 1ofn n ALA 78 Ca -0.09 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 52.93 1ofn n ALA 78 Cb 0.48 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 1ofn n ALA 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ofn s ARG 79 N -2.70 0.62 3.11 0.00 3.52 -1.22 -4.91 118.95 117.37 1ofn s ARG 79 Ca 0.21 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 1ofn s ARG 79 Cb 0.19 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.88 1ofn s ARG 79 CO 0.56 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 175.35 1ofn n GLY 80 N 1.89 -0.16 3.42 8.12 0.00 -1.26 -0.71 105.19 116.50 1ofn n GLY 80 Ca -0.13 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 1ofn n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ofn s LYS 81 N 0.00 0.55 0.04 1.61 2.20 -1.26 -3.97 119.74 118.91 1ofn s LYS 81 Ca 0.00 0.91 0.02 0.00 -0.36 0.00 0.00 55.97 56.54 1ofn s LYS 81 Cb 0.00 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 1ofn s LYS 81 CO 0.00 -0.13 -0.07 0.00 -0.36 0.00 0.00 175.35 174.79 1ofn s ALA 82 N 1.17 0.51 -0.44 3.13 0.00 0.02 -0.14 121.76 126.02 1ofn s ALA 82 Ca -0.07 -0.71 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 1ofn s ALA 82 Cb -0.06 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.14 1ofn s ALA 82 CO -0.11 -0.03 0.39 1.41 0.00 0.00 0.00 175.76 177.42 1ofn s MET 83 N -1.48 3.02 -0.07 0.00 1.75 -0.36 -0.25 119.30 121.91 1ofn s MET 83 Ca -0.10 -1.02 -0.16 0.00 -1.25 0.00 0.00 55.69 53.16 1ofn s MET 83 Cb -0.10 -4.03 -0.05 0.00 2.84 0.00 0.00 34.83 33.50 1ofn s MET 83 CO 0.00 -0.89 0.42 0.34 -0.65 0.00 0.00 175.02 174.24 1ofn s ASP 84 N 2.04 6.71 -0.06 1.11 2.15 -0.27 -1.69 116.67 126.66 1ofn s ASP 84 Ca 0.08 0.84 0.02 0.00 0.43 0.00 0.00 52.55 53.92 1ofn s ASP 84 Cb -0.20 -2.26 0.01 0.00 -0.30 0.00 0.00 42.92 40.18 1ofn s ASP 84 CO 0.10 0.16 -0.12 -0.63 -0.17 0.00 0.00 175.17 174.52 1ofn s ILE 85 N -0.18 1.11 -0.11 4.11 1.01 0.52 -0.39 121.20 127.27 1ofn s ILE 85 Ca 0.24 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1ofn s ILE 85 Cb -0.16 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1ofn s ILE 85 CO 0.11 0.35 -0.11 0.54 0.00 0.00 0.00 174.94 175.83 1ofn s VAL 86 N 0.63 3.31 -0.11 2.92 0.11 -0.46 -1.55 120.40 125.25 1ofn s VAL 86 Ca -0.14 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.34 1ofn s VAL 86 Cb -0.15 -2.38 0.02 0.00 -1.53 0.00 0.00 36.38 32.34 1ofn s VAL 86 CO 0.03 0.55 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.58 1ofn s ILE 87 N -0.10 1.47 -0.65 7.04 1.09 -0.22 -1.32 121.20 128.52 1ofn s ILE 87 Ca -0.01 -0.62 -0.25 0.00 -1.10 0.00 0.00 60.65 58.67 1ofn s ILE 87 Cb -0.14 -1.36 0.05 0.00 -1.06 0.00 0.00 42.46 39.95 1ofn s ILE 87 CO 0.03 0.44 1.09 -0.62 -0.10 0.00 0.00 174.94 175.78 1ofn s ASP 88 N 1.09 6.24 -0.04 3.58 -1.08 0.28 -0.76 116.67 125.97 1ofn s ASP 88 Ca -0.05 -0.55 0.16 0.00 -0.52 0.00 0.00 52.55 51.60 1ofn s ASP 88 Cb -0.14 -2.48 0.50 0.00 -1.46 0.00 0.00 42.92 39.33 1ofn s ASP 88 CO -0.03 -1.53 1.42 2.30 0.52 0.00 0.00 175.17 177.85 1ofn n ILE 89 N 6.22 1.31 -2.86 4.11 -5.35 -1.26 -0.64 119.36 120.89 1ofn n ILE 89 Ca 0.01 -1.14 -0.43 0.00 -0.27 0.00 0.00 62.75 60.92 1ofn n ILE 89 Cb 0.47 0.34 -0.04 0.00 -1.74 0.00 0.00 39.64 38.67 1ofn n ILE 89 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1ofn s ARG 90 N -1.37 3.51 0.15 6.28 0.52 -1.26 -4.21 118.95 122.57 1ofn s ARG 90 Ca 0.38 0.10 -0.31 0.00 -0.52 0.00 0.00 55.73 55.38 1ofn s ARG 90 Cb 0.22 -3.93 -0.10 0.00 0.52 0.00 0.00 34.95 31.66 1ofn s ARG 90 CO 0.21 -1.19 1.71 0.08 0.02 0.00 0.00 175.30 176.13 1ofn s VAL 91 N 3.62 2.51 0.00 3.52 1.01 -0.04 -1.19 120.40 129.83 1ofn s VAL 91 Ca 0.35 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1ofn s VAL 91 Cb -0.11 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1ofn s VAL 91 CO 0.25 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1ofn n GLY 92 N 4.01 0.57 3.78 4.51 0.00 -1.26 -0.15 105.19 116.65 1ofn n GLY 92 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1ofn n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ofn s SER 93 N -2.79 6.32 0.07 1.61 0.15 -0.33 -4.88 113.70 113.85 1ofn s SER 93 Ca 0.00 2.12 0.14 0.00 0.70 0.00 0.00 55.95 58.92 1ofn s SER 93 Cb 0.00 -2.58 0.63 0.00 -1.71 0.00 0.00 66.02 62.35 1ofn s SER 93 CO 0.00 -0.80 1.45 -0.81 1.20 0.00 0.00 173.24 174.28 1ofn n PRO 94 N -0.58 0.05 -0.29 5.44 -0.04 -1.26 -2.27 135.00 136.05 1ofn n PRO 94 Ca 0.08 0.35 0.08 0.00 -0.04 0.00 0.00 63.50 63.96 1ofn n PRO 94 Cb 0.50 -1.60 0.14 0.00 -0.04 0.00 0.00 33.50 32.50 1ofn n PRO 94 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ofn n THR 95 N -1.70 1.76 -1.62 0.52 -2.24 -1.26 -5.05 114.28 104.69 1ofn n THR 95 Ca 0.02 -2.30 -0.47 0.00 -2.27 0.00 0.00 64.05 59.04 1ofn n THR 95 Cb 0.15 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 1ofn n THR 95 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1ofn n PHE 96 N -1.18 1.70 -0.01 4.78 7.35 -0.96 -1.97 117.46 127.17 1ofn n PHE 96 Ca 0.15 0.56 0.00 0.00 -0.76 0.00 0.00 57.45 57.40 1ofn n PHE 96 Cb 0.67 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 38.14 1ofn n PHE 96 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ofn n GLY 97 N 2.16 1.80 3.90 7.13 0.00 0.19 -5.02 105.19 115.35 1ofn n GLY 97 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1ofn n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ofn s GLN 98 N -0.39 3.62 0.16 1.61 -0.21 -0.83 -4.85 119.66 118.76 1ofn s GLN 98 Ca 0.00 0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.64 1ofn s GLN 98 Cb 0.00 -2.42 -0.05 0.00 1.00 0.00 0.00 33.01 31.54 1ofn s GLN 98 CO 0.00 -0.09 -0.03 1.67 -2.12 0.00 0.00 175.29 174.72 1ofn s TRP 99 N -2.54 1.18 0.05 0.91 1.48 -1.26 -0.56 118.94 118.21 1ofn s TRP 99 Ca 0.48 -0.95 -0.03 0.00 -1.06 0.00 0.00 56.10 54.54 1ofn s TRP 99 Cb -0.10 -0.66 -0.03 0.00 -1.16 0.00 0.00 33.47 31.52 1ofn s TRP 99 CO 0.39 -0.14 0.03 0.34 -4.06 0.00 0.00 176.95 173.50 1ofn s ASP 100 N -3.16 0.36 0.08 -2.66 -1.08 -0.43 -4.81 116.67 104.97 1ofn s ASP 100 Ca 0.21 -0.82 0.06 0.00 -0.52 0.00 0.00 52.55 51.47 1ofn s ASP 100 Cb 0.05 0.22 -0.03 0.00 -1.46 0.00 0.00 42.92 41.70 1ofn s ASP 100 CO 0.02 -0.58 -0.15 -0.94 0.52 0.00 0.00 175.17 174.04 1ofn s SER 101 N -2.65 1.81 -0.06 -0.34 1.04 -1.26 -1.35 113.70 110.90 1ofn s SER 101 Ca 0.03 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 1ofn s SER 101 Cb 0.04 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.13 1ofn s SER 101 CO -0.08 -0.06 -0.01 -0.69 0.98 0.00 0.00 173.24 173.38 1ofn s VAL 102 N -1.27 0.36 -0.21 5.02 1.01 0.47 -4.98 120.40 120.80 1ofn s VAL 102 Ca -0.01 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1ofn s VAL 102 Cb -0.10 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1ofn s VAL 102 CO 0.03 0.24 1.02 -0.22 0.00 0.00 0.00 175.10 176.16 1ofn s LEU 103 N 1.65 4.12 -0.33 3.92 2.96 -1.26 -1.11 118.68 128.63 1ofn s LEU 103 Ca -0.00 1.38 -0.04 0.00 -0.22 0.00 0.00 54.13 55.24 1ofn s LEU 103 Cb -0.13 -3.52 0.05 0.00 0.50 0.00 0.00 46.19 43.09 1ofn s LEU 103 CO -0.04 -0.63 0.07 -0.04 -1.32 0.00 0.00 176.35 174.39 1ofn s MET 104 N 3.01 2.50 0.42 1.98 -1.94 0.65 -4.69 119.30 121.24 1ofn s MET 104 Ca 0.44 -1.26 0.04 0.00 -1.71 0.00 0.00 55.69 53.20 1ofn s MET 104 Cb -0.15 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.32 1ofn s MET 104 CO 0.08 -0.67 0.15 -0.40 -0.01 0.00 0.00 175.02 174.16 1ofn n ASP 105 N 4.72 1.28 0.00 3.03 5.68 -1.26 -0.80 116.55 129.20 1ofn n ASP 105 Ca -0.12 -3.21 0.12 0.00 -0.50 0.00 0.00 54.79 51.07 1ofn n ASP 105 Cb 0.44 1.04 0.17 0.00 -1.14 0.00 0.00 41.12 41.62 1ofn n ASP 105 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ofn n GLN 106 N -0.94 0.02 0.01 0.11 1.13 -1.25 -3.45 117.38 113.00 1ofn n GLN 106 Ca -0.06 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.79 1ofn n GLN 106 Cb 0.62 -1.51 -0.14 0.00 0.11 0.00 0.00 30.24 29.33 1ofn n GLN 106 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 1ofn h GLN 107 N 0.00 0.23 -2.26 -1.09 3.07 -1.97 -3.40 115.11 109.69 1ofn h GLN 107 Ca 0.00 -0.39 -0.59 0.00 0.09 0.00 0.00 58.65 57.76 1ofn h GLN 107 Cb 0.52 0.15 -0.40 0.00 0.08 0.00 0.00 27.48 27.82 1ofn h GLN 107 CO 0.00 1.19 -0.86 -0.25 0.09 0.00 0.00 178.83 179.00 1ofn n ASP 108 N -4.03 1.54 -4.68 0.06 8.00 -1.26 -5.01 116.55 111.18 1ofn n ASP 108 Ca -0.22 -2.94 -0.40 0.00 0.71 0.00 0.00 54.79 51.93 1ofn n ASP 108 Cb 0.85 -0.65 0.02 0.00 -0.02 0.00 0.00 41.12 41.32 1ofn n ASP 108 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1ofn n PRO 109 N 1.55 1.66 -3.96 -0.24 -0.02 -1.22 -4.54 135.00 128.23 1ofn n PRO 109 Ca 0.25 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 62.21 1ofn n PRO 109 Cb 0.46 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 1ofn n PRO 109 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ofn s ARG 110 N -2.30 0.18 0.19 -0.52 0.52 -1.26 -4.01 118.95 111.75 1ofn s ARG 110 Ca 0.64 -0.21 0.09 0.00 -0.52 0.00 0.00 55.73 55.73 1ofn s ARG 110 Cb -0.50 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 34.85 1ofn s ARG 110 CO 0.56 0.02 -0.07 0.00 0.02 0.00 0.00 175.30 175.83 1ofn s ALA 111 N -0.40 3.02 -0.04 2.13 0.00 0.06 -4.40 121.76 122.14 1ofn s ALA 111 Ca -0.03 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.49 1ofn s ALA 111 Cb -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1ofn s ALA 111 CO -0.00 0.45 -0.13 0.08 0.00 0.00 0.00 175.76 176.16 1ofn s VAL 112 N -1.78 1.10 -0.24 0.00 1.01 0.14 -0.27 120.40 120.35 1ofn s VAL 112 Ca 0.26 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1ofn s VAL 112 Cb -0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1ofn s VAL 112 CO 0.16 0.33 0.29 -0.47 0.00 0.00 0.00 175.10 175.42 1ofn s TYR 113 N 0.22 3.31 -0.34 5.22 6.14 -0.14 -1.06 117.35 130.69 1ofn s TYR 113 Ca -0.05 0.39 -0.09 0.00 0.64 0.00 0.00 57.07 57.96 1ofn s TYR 113 Cb -0.11 -2.44 0.02 0.00 0.42 0.00 0.00 41.96 39.86 1ofn s TYR 113 CO 0.02 -0.05 0.14 -0.51 0.64 0.00 0.00 175.55 175.79 1ofn s LEU 114 N 1.46 4.35 0.94 6.97 1.43 -0.08 -2.52 118.68 131.24 1ofn s LEU 114 Ca 0.13 -0.93 -0.10 0.00 -1.03 0.00 0.00 54.13 52.20 1ofn s LEU 114 Cb -0.15 -1.94 0.16 0.00 0.03 0.00 0.00 46.19 44.29 1ofn s LEU 114 CO 0.08 -0.31 1.13 -2.84 0.23 0.00 0.00 176.35 174.64 1ofn s PRO 115 N 1.50 0.78 0.29 1.29 0.02 -1.26 -1.53 135.00 136.09 1ofn s PRO 115 Ca 0.01 1.48 -0.29 0.00 0.02 0.00 0.00 61.00 62.21 1ofn s PRO 115 Cb -0.19 -1.71 -0.13 0.00 0.02 0.00 0.00 34.50 32.50 1ofn s PRO 115 CO 0.05 -2.77 1.27 0.28 -0.33 0.00 0.00 177.00 175.50 1ofn n VAL 116 N -4.32 1.60 -0.02 3.83 0.31 -1.26 -2.79 118.33 115.67 1ofn n VAL 116 Ca 0.11 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1ofn n VAL 116 Cb 0.52 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1ofn n VAL 116 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ofn n GLY 117 N 1.37 1.60 3.89 2.92 0.00 -1.25 -4.78 105.19 108.94 1ofn n GLY 117 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1ofn n GLY 117 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ofn s VAL 118 N -2.57 3.88 0.22 1.61 -7.23 -1.12 -4.27 120.40 110.92 1ofn s VAL 118 Ca 0.00 0.37 -0.01 0.00 -1.81 0.00 0.00 61.98 60.53 1ofn s VAL 118 Cb 0.00 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 1ofn s VAL 118 CO 0.00 -0.69 0.42 -0.83 -0.31 0.00 0.00 175.10 173.70 1ofn s GLY 119 N -4.29 1.78 -0.01 2.32 0.00 0.06 -4.64 107.32 102.54 1ofn s GLY 119 Ca 0.55 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.50 1ofn s GLY 119 CO 0.49 -0.73 -0.07 -1.58 0.00 0.00 0.00 173.10 171.21 1ofn s HIS 120 N -1.92 0.66 0.10 1.90 2.46 -0.54 -1.06 115.29 116.89 1ofn s HIS 120 Ca 0.39 -0.13 -0.11 0.00 0.47 0.00 0.00 55.06 55.68 1ofn s HIS 120 Cb -0.11 -0.43 0.01 0.00 -0.13 0.00 0.00 32.58 31.93 1ofn s HIS 120 CO 0.29 -0.01 0.26 0.00 -2.47 0.00 0.00 174.74 172.82 1ofn s ALA 121 N -0.17 -0.48 0.11 1.58 0.00 -0.59 -0.63 121.76 121.57 1ofn s ALA 121 Ca 0.03 -0.38 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 1ofn s ALA 121 Cb -0.03 0.53 0.04 0.00 0.00 0.00 0.00 23.12 23.67 1ofn s ALA 121 CO -0.00 -0.54 0.46 -0.59 0.00 0.00 0.00 175.76 175.08 1ofn s PHE 122 N -3.71 -0.30 -0.10 0.00 -0.71 -0.33 -0.35 117.98 112.48 1ofn s PHE 122 Ca 0.03 0.09 0.03 0.00 -1.04 0.00 0.00 56.93 56.04 1ofn s PHE 122 Cb 0.03 0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 42.15 1ofn s PHE 122 CO -0.11 -0.71 -0.19 0.54 -1.34 0.00 0.00 175.22 173.42 1ofn s VAL 123 N -3.45 2.57 -0.15 -2.49 0.11 -0.68 -1.41 120.40 114.90 1ofn s VAL 123 Ca 0.00 -0.85 -0.28 0.00 -2.93 0.00 0.00 61.98 57.93 1ofn s VAL 123 Cb 0.01 -2.02 -0.01 0.00 -1.53 0.00 0.00 36.38 32.82 1ofn s VAL 123 CO -0.10 0.55 0.93 0.00 -3.33 0.00 0.00 175.10 173.16 1ofn s ALA 124 N 0.16 3.49 -0.80 1.54 0.00 -0.33 -1.22 121.76 124.60 1ofn s ALA 124 Ca -0.10 0.20 0.23 0.00 0.00 0.00 0.00 51.96 52.29 1ofn s ALA 124 Cb -0.16 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1ofn s ALA 124 CO 0.06 -0.68 1.02 1.28 0.00 0.00 0.00 175.76 177.44 1ofn n LEU 125 N 5.26 0.70 -4.12 0.00 4.77 0.81 -0.57 117.00 123.84 1ofn n LEU 125 Ca 0.07 -0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 55.74 1ofn n LEU 125 Cb 0.48 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 1ofn n LEU 125 CO 0.50 0.14 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.70 1ofn s GLU 126 N -3.10 0.70 0.80 3.23 2.02 -1.22 -4.84 118.70 116.29 1ofn s GLU 126 Ca 0.06 -1.12 -0.12 0.00 0.02 0.00 0.00 54.97 53.81 1ofn s GLU 126 Cb 0.16 -0.19 0.08 0.00 0.10 0.00 0.00 34.13 34.27 1ofn s GLU 126 CO 0.82 -0.00 1.15 -0.51 0.02 0.00 0.00 175.26 176.73 1ofn s ASP 127 N -2.51 3.89 -1.56 -0.19 1.01 -1.26 -3.40 116.67 112.64 1ofn s ASP 127 Ca 0.04 2.14 -0.05 0.00 0.71 0.00 0.00 52.55 55.39 1ofn s ASP 127 Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1ofn s ASP 127 CO -0.03 -2.46 0.63 0.47 0.21 0.00 0.00 175.17 173.99 1ofn n ASP 128 N -3.43 -6.18 -4.66 0.27 8.00 -1.01 -4.78 116.55 104.76 1ofn n ASP 128 Ca 0.12 -0.30 -0.42 0.00 0.71 0.00 0.00 54.79 54.90 1ofn n ASP 128 Cb 0.52 -4.99 -0.04 0.00 -0.02 0.00 0.00 41.12 36.59 1ofn n ASP 128 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ofn s THR 129 N -3.19 4.86 -0.20 -3.53 2.01 -0.79 -4.15 115.64 110.66 1ofn s THR 129 Ca 0.31 1.63 -0.05 0.00 0.31 0.00 0.00 61.69 63.89 1ofn s THR 129 Cb -0.14 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 1ofn s THR 129 CO 0.39 -0.01 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.61 1ofn s VAL 130 N 2.40 3.96 -0.21 3.82 1.01 0.11 -0.81 120.40 130.68 1ofn s VAL 130 Ca 0.37 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 1ofn s VAL 130 Cb -0.16 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1ofn s VAL 130 CO 0.11 0.43 0.04 -0.04 0.00 0.00 0.00 175.10 175.64 1ofn s MET 131 N 0.93 3.73 -0.18 2.72 -1.94 0.01 -0.65 119.30 123.93 1ofn s MET 131 Ca 0.01 -0.46 -0.02 0.00 -1.71 0.00 0.00 55.69 53.52 1ofn s MET 131 Cb -0.14 -3.20 -0.01 0.00 2.01 0.00 0.00 34.83 33.49 1ofn s MET 131 CO 0.02 0.02 -0.10 0.45 -0.01 0.00 0.00 175.02 175.40 1ofn s SER 132 N 1.03 4.00 0.06 3.03 0.15 0.12 -1.17 113.70 120.91 1ofn s SER 132 Ca 0.03 -0.41 0.07 0.00 0.70 0.00 0.00 55.95 56.34 1ofn s SER 132 Cb -0.14 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 62.49 1ofn s SER 132 CO 0.03 0.05 -0.19 -0.31 1.20 0.00 0.00 173.24 174.02 1ofn s TYR 133 N 1.03 1.64 -0.13 3.44 2.02 -0.28 -1.64 117.35 123.44 1ofn s TYR 133 Ca -0.00 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1ofn s TYR 133 Cb -0.15 -0.95 -0.03 0.00 -0.40 0.00 0.00 41.96 40.43 1ofn s TYR 133 CO -0.02 0.10 -0.03 -1.64 -1.57 0.00 0.00 175.55 172.40 1ofn s MET 134 N -1.35 3.37 0.11 -0.62 -1.94 -0.26 -1.42 119.30 117.19 1ofn s MET 134 Ca 0.05 -0.48 0.10 0.00 -1.71 0.00 0.00 55.69 53.65 1ofn s MET 134 Cb -0.09 -2.85 -0.04 0.00 2.01 0.00 0.00 34.83 33.86 1ofn s MET 134 CO 0.02 0.43 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.71 1ofn s LEU 135 N -0.14 2.40 0.13 -0.03 1.43 -0.26 -1.44 118.68 120.78 1ofn s LEU 135 Ca 0.03 -0.66 0.27 0.00 -1.03 0.00 0.00 54.13 52.75 1ofn s LEU 135 Cb -0.13 -1.32 0.93 0.00 0.03 0.00 0.00 46.19 45.70 1ofn s LEU 135 CO 0.02 0.20 1.81 -1.54 0.23 0.00 0.00 176.35 177.07 1ofn n SER 136 N 1.08 0.54 -3.76 2.29 3.41 -0.58 -1.12 113.62 115.48 1ofn n SER 136 Ca -0.17 0.52 -0.13 0.00 -0.26 0.00 0.00 58.87 58.83 1ofn n SER 136 Cb 0.53 -0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 1ofn n SER 136 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ofn s ARG 137 N -3.07 0.51 0.43 4.33 3.52 -1.26 -4.42 118.95 118.99 1ofn s ARG 137 Ca 0.12 0.18 -0.24 0.00 -0.13 0.00 0.00 55.73 55.65 1ofn s ARG 137 Cb 0.15 0.24 -0.08 0.00 -1.56 0.00 0.00 34.95 33.69 1ofn s ARG 137 CO 0.58 -0.11 1.20 -1.12 -0.81 0.00 0.00 175.30 175.05 1ofn s SER 138 N -0.47 6.28 0.08 -2.12 0.01 -1.26 -4.73 113.70 111.48 1ofn s SER 138 Ca -0.06 2.41 -0.31 0.00 1.31 0.00 0.00 55.95 59.30 1ofn s SER 138 Cb -0.04 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.49 1ofn s SER 138 CO 0.02 -0.85 1.66 -0.47 0.41 0.00 0.00 173.24 174.01 1ofn s TYR 139 N -1.43 2.47 -0.18 2.43 5.04 -1.26 -4.99 117.35 119.43 1ofn s TYR 139 Ca 0.60 0.33 0.01 0.00 -2.44 0.00 0.00 57.07 55.57 1ofn s TYR 139 Cb -0.32 -3.97 0.03 0.00 0.35 0.00 0.00 41.96 38.05 1ofn s TYR 139 CO 0.39 -3.88 -0.15 0.08 -1.34 0.00 0.00 175.55 170.66 1ofn s VAL 140 N 2.50 1.79 0.23 3.14 1.01 -1.26 -5.04 120.40 122.76 1ofn s VAL 140 Ca 0.74 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 1ofn s VAL 140 Cb -0.41 -1.72 0.18 0.00 0.00 0.00 0.00 36.38 34.43 1ofn s VAL 140 CO 0.32 0.36 1.75 0.74 0.00 0.00 0.00 175.10 178.28 1ofn h THR 141 N 6.17 0.76 0.00 3.92 2.02 -1.94 -0.50 112.91 123.35 1ofn h THR 141 Ca -0.36 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1ofn h THR 141 Cb 1.12 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1ofn h THR 141 CO 0.54 0.09 -0.04 1.56 0.37 0.00 0.00 175.52 178.04 1ofn h GLN 142 N 0.50 0.00 -0.09 6.66 7.50 -2.03 -1.62 115.11 126.02 1ofn h GLN 142 Ca 0.36 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.51 1ofn h GLN 142 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.99 1ofn h GLN 142 CO -0.32 0.04 0.00 -0.25 -1.50 0.00 0.00 178.83 176.80 1ofn n ASP 143 N -3.39 2.98 -4.42 1.46 8.00 -0.22 -4.89 116.55 116.07 1ofn n ASP 143 Ca -0.02 -1.97 -0.39 0.00 0.71 0.00 0.00 54.79 53.12 1ofn n ASP 143 Cb 0.17 -0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.11 1ofn n ASP 143 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ofn s GLU 144 N -1.91 3.18 0.38 -1.24 0.41 -0.61 -0.56 118.70 118.34 1ofn s GLU 144 Ca 0.31 -0.83 0.08 0.00 -0.41 0.00 0.00 54.97 54.11 1ofn s GLU 144 Cb 0.21 -3.64 -0.06 0.00 -1.78 0.00 0.00 34.13 28.86 1ofn s GLU 144 CO 0.30 -0.51 0.05 -0.51 -0.49 0.00 0.00 175.26 174.10 1ofn s LEU 145 N 1.60 2.97 0.08 1.80 1.43 0.16 -4.98 118.68 121.74 1ofn s LEU 145 Ca 0.04 -1.13 0.04 0.00 -1.03 0.00 0.00 54.13 52.04 1ofn s LEU 145 Cb -0.18 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 1ofn s LEU 145 CO 0.07 -0.38 -0.11 0.00 0.23 0.00 0.00 176.35 176.16 1ofn s ALA 146 N -2.60 1.03 0.14 4.21 0.00 -1.26 -1.71 121.76 121.56 1ofn s ALA 146 Ca 0.36 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1ofn s ALA 146 Cb 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1ofn s ALA 146 CO 0.20 0.02 -0.15 -0.51 0.00 0.00 0.00 175.76 175.31 1ofn s LEU 147 N -2.10 2.42 -0.05 0.00 1.43 0.27 -4.38 118.68 116.27 1ofn s LEU 147 Ca 0.01 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 51.98 1ofn s LEU 147 Cb -0.06 -0.63 -0.06 0.00 0.03 0.00 0.00 46.19 45.47 1ofn s LEU 147 CO 0.01 -0.12 1.75 -0.55 0.23 0.00 0.00 176.35 177.67 1ofn s SER 148 N -2.53 6.56 0.42 2.29 0.15 0.49 -0.78 113.70 120.30 1ofn s SER 148 Ca 0.11 2.29 0.23 0.00 0.70 0.00 0.00 55.95 59.28 1ofn s SER 148 Cb -0.05 -2.53 0.51 0.00 -1.71 0.00 0.00 66.02 62.24 1ofn s SER 148 CO 0.04 -1.01 1.66 0.00 1.20 0.00 0.00 173.24 175.13 1ofn h ALA 149 N 10.05 0.93 -0.01 5.45 0.00 -1.84 -3.18 119.26 130.65 1ofn h ALA 149 Ca -0.41 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1ofn h ALA 149 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ofn h ALA 149 CO 0.95 0.16 -0.14 -0.11 0.00 0.00 0.00 179.25 180.11 1ofn n LEU 150 N -3.16 1.45 -4.66 0.00 7.94 -1.26 -4.45 117.00 112.87 1ofn n LEU 150 Ca 0.03 -0.46 -0.63 0.00 -1.11 0.00 0.00 56.01 53.84 1ofn n LEU 150 Cb 0.53 -0.05 -0.09 0.00 0.53 0.00 0.00 43.42 44.33 1ofn n LEU 150 CO 0.34 0.25 1.32 -0.67 -1.11 0.00 0.00 177.39 177.53 1ofn n ASP 151 N -0.10 1.59 0.22 1.96 4.64 -1.20 -4.81 116.55 118.84 1ofn n ASP 151 Ca 0.15 1.04 0.14 0.00 -1.38 0.00 0.00 54.79 54.74 1ofn n ASP 151 Cb 0.38 -0.99 0.77 0.00 -1.04 0.00 0.00 41.12 40.24 1ofn n ASP 151 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1ofn h PRO 152 N 6.66 0.00 -0.10 -0.67 0.11 -1.94 -1.60 132.00 134.46 1ofn h PRO 152 Ca -0.39 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 1ofn h PRO 152 Cb 1.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 1ofn h PRO 152 CO 0.99 0.00 -0.24 0.00 -0.21 0.00 0.00 178.00 178.54 1ofn h ALA 153 N 1.90 1.42 0.05 -0.75 0.00 -2.00 -3.16 119.26 116.72 1ofn h ALA 153 Ca 0.06 -0.27 -0.31 0.00 0.00 0.00 0.00 54.91 54.39 1ofn h ALA 153 Cb 0.27 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1ofn h ALA 153 CO -0.00 0.41 -1.73 -0.07 0.00 0.00 0.00 179.25 177.86 1ofn h LEU 154 N 0.16 0.17 -1.14 0.00 3.38 -1.67 -3.49 115.31 112.72 1ofn h LEU 154 Ca 0.03 -0.34 -0.41 0.00 0.09 0.00 0.00 57.88 57.25 1ofn h LEU 154 Cb 0.51 -0.05 0.09 0.00 0.09 0.00 0.00 40.66 41.30 1ofn h LEU 154 CO 0.04 1.30 -0.73 0.61 0.09 0.00 0.00 178.44 179.74 1ofn n GLY 155 N 1.68 -0.47 3.76 0.83 0.00 -1.00 -4.94 105.19 105.05 1ofn n GLY 155 Ca -0.20 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1ofn n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ofn s LEU 156 N -7.05 3.95 -1.47 0.99 1.43 -1.26 -4.88 118.68 110.38 1ofn s LEU 156 Ca 0.43 2.69 -0.13 0.00 -1.03 0.00 0.00 54.13 56.10 1ofn s LEU 156 Cb -0.20 -4.19 0.03 0.00 0.03 0.00 0.00 46.19 41.87 1ofn s LEU 156 CO 0.76 -1.33 2.34 -0.81 0.23 0.00 0.00 176.35 177.54 1ofn n PRO 157 N -0.71 3.14 -0.02 1.29 -0.04 -1.26 -4.64 135.00 132.77 1ofn n PRO 157 Ca 0.08 -2.64 0.04 0.00 -0.04 0.00 0.00 63.50 60.95 1ofn n PRO 157 Cb 0.45 -3.14 0.05 0.00 -0.04 0.00 0.00 33.50 30.81 1ofn n PRO 157 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1ofn n ILE 158 N 4.54 0.12 -3.72 0.52 -5.35 -1.26 -4.90 119.36 109.31 1ofn n ILE 158 Ca 0.56 -0.56 -0.37 0.00 -0.27 0.00 0.00 62.75 62.11 1ofn n ILE 158 Cb 0.35 1.09 -0.12 0.00 -1.74 0.00 0.00 39.64 39.23 1ofn n ILE 158 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1ofn s ASP 159 N -0.75 5.28 -0.07 7.28 1.01 -1.26 -4.91 116.67 123.25 1ofn s ASP 159 Ca 0.11 -0.41 0.11 0.00 0.71 0.00 0.00 52.55 53.06 1ofn s ASP 159 Cb 0.07 -1.94 0.16 0.00 1.01 0.00 0.00 42.92 42.22 1ofn s ASP 159 CO 0.11 -0.12 1.07 2.30 0.21 0.00 0.00 175.17 178.73 1ofn n ILE 160 N 4.93 1.41 0.00 0.77 -5.35 -1.26 -4.98 119.36 114.88 1ofn n ILE 160 Ca -0.15 -1.62 0.00 0.00 -0.27 0.00 0.00 62.75 60.71 1ofn n ILE 160 Cb 0.50 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1ofn n ILE 160 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ofn n GLY 161 N -0.98 0.93 3.30 3.28 0.00 -1.26 -5.10 105.19 105.36 1ofn n GLY 161 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1ofn n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ofn s VAL 162 N -2.00 1.62 0.09 1.61 0.11 -1.26 -5.09 120.40 115.48 1ofn s VAL 162 Ca 0.00 -1.93 -0.31 0.00 -2.93 0.00 0.00 61.98 56.81 1ofn s VAL 162 Cb 0.00 -1.80 -0.10 0.00 -1.53 0.00 0.00 36.38 32.95 1ofn s VAL 162 CO 0.00 -0.43 1.88 1.21 -3.33 0.00 0.00 175.10 174.42 1ofn n GLU 163 N 0.18 2.79 -1.70 1.54 4.07 -1.26 -4.91 120.64 121.35 1ofn n GLU 163 Ca -0.12 1.02 -0.40 0.00 -0.06 0.00 0.00 57.16 57.59 1ofn n GLU 163 Cb 0.58 -2.92 0.02 0.00 -0.06 0.00 0.00 31.44 29.06 1ofn n GLU 163 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1ofn n PRO 164 N 6.16 1.72 -3.74 5.31 -0.02 -1.26 -4.91 135.00 138.26 1ofn n PRO 164 Ca 0.19 0.62 -0.38 0.00 -2.02 0.00 0.00 63.50 61.91 1ofn n PRO 164 Cb 0.38 -2.39 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 1ofn n PRO 164 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ofn s ILE 165 N -1.26 3.96 -0.01 4.25 1.01 -0.57 -4.98 121.20 123.60 1ofn s ILE 165 Ca 0.65 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1ofn s ILE 165 Cb -0.48 -3.14 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1ofn s ILE 165 CO 0.55 -0.05 -0.07 -0.69 0.00 0.00 0.00 174.94 174.68 1ofn s VAL 166 N 1.47 0.58 0.78 2.92 1.01 -1.26 -1.55 120.40 124.34 1ofn s VAL 166 Ca 0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 1ofn s VAL 166 Cb -0.18 -0.50 0.06 0.00 0.00 0.00 0.00 36.38 35.76 1ofn s VAL 166 CO 0.03 0.17 1.13 -0.94 0.00 0.00 0.00 175.10 175.49 1ofn s SER 167 N -0.05 4.19 0.27 3.32 1.04 -1.26 -4.82 113.70 116.38 1ofn s SER 167 Ca 0.01 2.03 -0.04 0.00 0.48 0.00 0.00 55.95 58.44 1ofn s SER 167 Cb -0.04 -2.55 0.34 0.00 0.10 0.00 0.00 66.02 63.87 1ofn s SER 167 CO -0.00 -2.25 1.87 0.44 0.98 0.00 0.00 173.24 174.28 1ofn h ASP 168 N -0.95 0.95 -0.55 7.02 3.32 -2.01 0.11 116.42 124.32 1ofn h ASP 168 Ca -0.45 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 1ofn h ASP 168 Cb 1.25 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1ofn h ASP 168 CO 0.49 0.80 0.28 -0.09 -1.72 0.00 0.00 179.24 179.00 1ofn h ARG 169 N 1.05 0.78 -0.17 3.56 2.43 -1.98 -2.05 114.38 118.00 1ofn h ARG 169 Ca 0.26 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 1ofn h ARG 169 Cb 0.09 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1ofn h ARG 169 CO -0.03 0.62 -0.51 -0.44 -1.51 0.00 0.00 179.97 178.10 1ofn h ASP 170 N 0.74 0.52 -0.46 -3.80 3.32 -1.72 -2.82 116.42 112.19 1ofn h ASP 170 Ca 0.19 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1ofn h ASP 170 Cb 0.09 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1ofn h ASP 170 CO -0.03 0.94 0.20 -0.09 -1.72 0.00 0.00 179.24 178.54 1ofn h ARG 171 N 0.37 0.73 -0.57 3.56 2.43 -0.13 -2.83 114.38 117.94 1ofn h ARG 171 Ca 0.01 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1ofn h ARG 171 Cb 1.03 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1ofn h ARG 171 CO 0.09 0.60 0.00 1.33 -1.51 0.00 0.00 179.97 180.49 1ofn n VAL 172 N -4.34 0.79 -1.81 0.20 0.24 -0.86 -4.98 118.33 107.58 1ofn n VAL 172 Ca 0.04 -0.90 -0.39 0.00 -2.04 0.00 0.00 64.34 61.06 1ofn n VAL 172 Cb 0.16 0.70 0.03 0.00 -1.47 0.00 0.00 33.84 33.27 1ofn n VAL 172 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ofn s ALA 173 N -1.19 2.93 0.73 2.33 0.00 -1.07 -4.99 121.76 120.50 1ofn s ALA 173 Ca 0.43 1.35 -0.11 0.00 0.00 0.00 0.00 51.96 53.63 1ofn s ALA 173 Cb 0.24 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1ofn s ALA 173 CO 0.32 -1.30 1.09 0.96 0.00 0.00 0.00 175.76 176.83 1ofn s ILE 174 N -1.29 3.42 0.74 0.00 -4.36 -1.26 -3.73 121.20 114.72 1ofn s ILE 174 Ca 0.69 0.46 -0.11 0.00 -0.26 0.00 0.00 60.65 61.42 1ofn s ILE 174 Cb -0.41 -3.38 0.03 0.00 1.25 0.00 0.00 42.46 39.96 1ofn s ILE 174 CO 0.49 -0.60 1.08 0.42 0.24 0.00 0.00 174.94 176.57 1ofn s THR 175 N -3.29 3.59 0.18 8.37 -4.23 -1.26 -0.38 115.64 118.63 1ofn s THR 175 Ca 0.59 0.52 -0.13 0.00 -1.18 0.00 0.00 61.69 61.48 1ofn s THR 175 Cb -0.12 -3.28 0.10 0.00 1.34 0.00 0.00 72.50 70.54 1ofn s THR 175 CO 0.53 -0.68 1.72 0.25 -0.54 0.00 0.00 174.62 175.90 1ofn h LEU 176 N -0.87 0.00 -0.74 4.79 5.85 -1.95 0.15 115.31 122.55 1ofn h LEU 176 Ca -0.45 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 1ofn h LEU 176 Cb 1.24 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 1ofn h LEU 176 CO 0.58 0.03 0.21 0.00 -0.34 0.00 0.00 178.44 178.93 1ofn h ALA 177 N 1.38 0.97 -0.48 1.25 0.00 -1.99 0.11 119.26 120.49 1ofn h ALA 177 Ca 0.24 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1ofn h ALA 177 Cb 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ofn h ALA 177 CO -0.32 0.67 -0.22 1.49 0.00 0.00 0.00 179.25 180.88 1ofn h GLU 178 N 1.11 0.99 -0.43 0.00 4.57 -1.78 -2.20 114.58 116.83 1ofn h GLU 178 Ca 0.24 -0.42 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 1ofn h GLU 178 Cb 0.34 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1ofn h GLU 178 CO -0.00 1.10 0.10 0.00 -1.18 0.00 0.00 179.01 179.02 1ofn h ALA 179 N 0.89 1.36 -0.14 2.92 0.00 -0.09 -1.37 119.26 122.83 1ofn h ALA 179 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ofn h ALA 179 Cb 0.80 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ofn h ALA 179 CO 0.07 0.46 0.09 0.37 0.00 0.00 0.00 179.25 180.23 1ofn h GLN 180 N 0.63 0.19 -0.71 0.00 4.15 -0.59 -1.68 115.11 117.11 1ofn h GLN 180 Ca 0.14 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1ofn h GLN 180 Cb 0.25 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 1ofn h GLN 180 CO -0.00 0.16 0.44 0.00 -1.93 0.00 0.00 178.83 177.50 1ofn h ARG 181 N 0.17 0.95 -0.00 1.69 3.08 -0.88 -1.53 114.38 117.86 1ofn h ARG 181 Ca 0.05 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1ofn h ARG 181 Cb 0.01 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1ofn h ARG 181 CO -0.01 0.66 -0.01 1.04 -1.07 0.00 0.00 179.97 180.58 1ofn n GLN 182 N -4.40 0.74 -1.18 0.04 6.02 -0.56 -4.92 117.38 113.11 1ofn n GLN 182 Ca 0.07 -0.03 -0.03 0.00 -0.01 0.00 0.00 57.00 57.01 1ofn n GLN 182 Cb 0.06 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.81 1ofn n GLN 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ofn n GLY 183 N 1.15 0.55 0.75 1.08 0.00 -0.58 -4.94 105.19 103.19 1ofn n GLY 183 Ca 0.19 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1ofn n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ofn n LEU 184 N -0.31 2.33 -4.93 0.99 4.77 -0.69 -4.97 117.00 114.19 1ofn n LEU 184 Ca -0.03 -0.79 -0.28 0.00 -0.03 0.00 0.00 56.01 54.88 1ofn n LEU 184 Cb 0.13 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1ofn n LEU 184 CO 0.04 0.40 -0.06 -0.76 -1.33 0.00 0.00 177.39 175.67 1ofn s LEU 185 N -1.96 4.31 0.58 2.23 1.43 -1.26 -4.98 118.68 119.02 1ofn s LEU 185 Ca 0.33 0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 53.53 1ofn s LEU 185 Cb 0.20 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1ofn s LEU 185 CO 0.31 0.06 1.34 -2.84 0.23 0.00 0.00 176.35 175.45 1ofn s PRO 186 N -2.99 2.96 0.02 1.29 0.02 -1.26 -4.82 135.00 130.22 1ofn s PRO 186 Ca 0.36 2.18 -0.20 0.00 0.02 0.00 0.00 61.00 63.37 1ofn s PRO 186 Cb -0.12 -2.13 -0.06 0.00 0.02 0.00 0.00 34.50 32.22 1ofn s PRO 186 CO 0.28 -1.32 0.57 0.34 -0.33 0.00 0.00 177.00 176.54 1ofn s ASP 187 N -1.09 6.99 0.15 2.53 2.15 -1.26 -0.86 116.67 125.28 1ofn s ASP 187 Ca 0.75 1.18 -0.17 0.00 0.43 0.00 0.00 52.55 54.74 1ofn s ASP 187 Cb -0.40 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1ofn s ASP 187 CO 0.45 0.19 1.81 0.22 -0.17 0.00 0.00 175.17 177.67 1ofn h TYR 188 N 5.15 0.46 -0.45 -5.34 3.20 -0.75 -0.31 116.97 118.93 1ofn h TYR 188 Ca -0.47 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.39 1ofn h TYR 188 Cb 1.21 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 1ofn h TYR 188 CO 0.67 0.29 0.19 1.15 -1.64 0.00 0.00 178.16 178.82 1ofn h THR 189 N 0.49 1.20 -0.15 1.81 2.02 -1.91 0.26 112.91 116.63 1ofn h THR 189 Ca 0.14 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.74 1ofn h THR 189 Cb -0.05 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1ofn h THR 189 CO -0.03 0.22 0.08 0.74 0.37 0.00 0.00 175.52 176.89 1ofn h THR 190 N 0.58 1.00 -0.53 3.16 2.02 -1.93 -1.44 112.91 115.77 1ofn h THR 190 Ca 0.15 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.32 1ofn h THR 190 Cb 0.17 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1ofn h THR 190 CO -0.01 0.03 0.28 0.28 0.37 0.00 0.00 175.52 176.46 1ofn h SER 191 N 0.16 0.41 -0.21 4.18 0.02 -0.72 -1.77 113.55 115.61 1ofn h SER 191 Ca 0.06 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1ofn h SER 191 Cb 0.01 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1ofn h SER 191 CO -0.04 0.28 -0.04 1.56 -1.14 0.00 0.00 176.83 177.45 1ofn h GLN 192 N 0.54 0.54 -0.39 3.45 1.08 -0.73 -0.56 115.11 119.03 1ofn h GLN 192 Ca 0.23 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 1ofn h GLN 192 Cb 0.12 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1ofn h GLN 192 CO -0.15 0.59 0.10 0.93 -0.95 0.00 0.00 178.83 179.35 1ofn h GLU 193 N 0.51 0.62 -0.48 1.46 5.08 -0.75 -0.52 114.58 120.50 1ofn h GLU 193 Ca 0.10 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1ofn h GLU 193 Cb 0.39 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1ofn h GLU 193 CO 0.02 0.65 0.12 0.82 -1.00 0.00 0.00 179.01 179.61 1ofn h ILE 194 N 0.48 1.24 -0.79 3.13 2.04 -1.09 -2.34 117.51 120.18 1ofn h ILE 194 Ca 0.12 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 1ofn h ILE 194 Cb 0.31 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1ofn h ILE 194 CO 0.00 0.30 0.40 -0.08 0.00 0.00 0.00 178.15 178.77 1ofn h GLU 195 N 0.65 1.12 -0.70 2.37 4.81 -0.87 -0.56 114.58 121.40 1ofn h GLU 195 Ca 0.15 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1ofn h GLU 195 Cb 0.33 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1ofn h GLU 195 CO 0.00 0.84 0.17 0.00 -0.73 0.00 0.00 179.01 179.29 1ofn h ARG 196 N 1.12 1.12 -0.68 1.92 3.08 -0.86 -1.66 114.38 118.43 1ofn h ARG 196 Ca 0.28 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1ofn h ARG 196 Cb 0.08 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1ofn h ARG 196 CO -0.04 0.99 0.24 0.00 -1.07 0.00 0.00 179.97 180.10 1ofn h ARG 197 N 1.06 1.03 -0.21 0.04 3.08 -0.83 -2.37 114.38 116.18 1ofn h ARG 197 Ca 0.22 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1ofn h ARG 197 Cb 0.38 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1ofn h ARG 197 CO 0.00 0.88 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.41 1ofn h LEU 198 N 0.97 0.43 -3.19 3.04 3.38 -0.68 -3.24 115.31 116.02 1ofn h LEU 198 Ca 0.22 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1ofn h LEU 198 Cb 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ofn h LEU 198 CO -0.01 0.72 -0.04 0.35 0.09 0.00 0.00 178.44 179.54 1ofn n THR 199 N -4.09 2.22 -1.75 0.22 -2.24 -0.66 -4.06 114.28 103.91 1ofn n THR 199 Ca -0.01 -2.22 -0.35 0.00 -2.27 0.00 0.00 64.05 59.20 1ofn n THR 199 Cb 0.43 -0.26 0.06 0.00 -2.10 0.00 0.00 70.33 68.46 1ofn n THR 199 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ofn s ALA 200 N -2.94 2.36 0.00 6.98 0.00 -0.90 -3.50 121.76 123.76 1ofn s ALA 200 Ca 0.39 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1ofn s ALA 200 Cb 0.34 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1ofn s ALA 200 CO 0.05 -1.48 0.00 0.28 0.00 0.00 0.00 175.76 174.60 1ofn n VAL 201 N -2.11 0.00 0.00 0.00 0.31 -1.26 -4.58 118.33 110.69 1ofn n VAL 201 Ca 0.14 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1ofn n VAL 201 Cb 0.50 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 1ofn n VAL 201 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86