#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 2.35 0.02 2.12 -0.21 -0.72 -4.95 119.66 118.28 1ofn s GLN 2 Ca 0.00 -0.87 0.08 0.00 0.02 0.00 0.00 55.36 54.59 1ofn s GLN 2 Cb 0.00 -2.40 -0.02 0.00 1.00 0.00 0.00 33.01 31.58 1ofn s GLN 2 CO 0.00 0.56 -0.23 0.00 -2.12 0.00 0.00 175.29 173.50 1ofn s ALA 3 N -1.10 1.94 -0.05 6.09 0.00 -1.26 -0.44 121.76 126.95 1ofn s ALA 3 Ca 0.19 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1ofn s ALA 3 Cb -0.11 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.61 1ofn s ALA 3 CO 0.11 0.46 0.03 0.50 0.00 0.00 0.00 175.76 176.85 1ofn s ARG 4 N -0.97 0.22 0.15 0.00 3.52 0.24 -5.00 118.95 117.12 1ofn s ARG 4 Ca 0.09 0.21 -0.31 0.00 -0.13 0.00 0.00 55.73 55.60 1ofn s ARG 4 Cb -0.09 -0.62 -0.08 0.00 -1.56 0.00 0.00 34.95 32.60 1ofn s ARG 4 CO 0.01 -0.26 1.32 0.15 -0.81 0.00 0.00 175.30 175.71 1ofn s LYS 5 N 1.75 4.37 0.75 5.12 1.02 -1.26 -0.90 119.74 130.59 1ofn s LYS 5 Ca 0.00 2.02 -0.07 0.00 0.02 0.00 0.00 55.97 57.93 1ofn s LYS 5 Cb -0.13 -3.24 0.09 0.00 -0.52 0.00 0.00 37.83 34.04 1ofn s LYS 5 CO -0.03 -0.31 1.07 -0.51 -0.92 0.00 0.00 175.35 174.64 1ofn s LEU 6 N 0.48 2.81 0.42 3.17 1.43 -0.45 -4.91 118.68 121.64 1ofn s LEU 6 Ca 0.60 0.32 0.22 0.00 -1.03 0.00 0.00 54.13 54.24 1ofn s LEU 6 Cb -0.35 -2.83 0.82 0.00 0.03 0.00 0.00 46.19 43.86 1ofn s LEU 6 CO 0.34 -1.82 1.79 0.00 0.23 0.00 0.00 176.35 176.88 1ofn h ALA 7 N -0.77 1.00 -2.17 4.21 0.00 -1.91 -3.41 119.26 116.22 1ofn h ALA 7 Ca -0.43 -0.24 -0.58 0.00 0.00 0.00 0.00 54.91 53.66 1ofn h ALA 7 Cb 1.30 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1ofn h ALA 7 CO 0.54 0.33 0.68 0.08 0.00 0.00 0.00 179.25 180.88 1ofn s VAL 8 N -3.60 4.74 -0.02 0.00 1.01 -1.26 -4.89 120.40 116.37 1ofn s VAL 8 Ca 0.01 1.91 -0.35 0.00 0.00 0.00 0.00 61.98 63.54 1ofn s VAL 8 Cb 0.10 -4.26 -0.14 0.00 0.00 0.00 0.00 36.38 32.09 1ofn s VAL 8 CO 0.65 -0.12 1.69 -0.67 0.00 0.00 0.00 175.10 176.65 1ofn n ASP 9 N 6.02 2.91 0.00 3.32 -0.08 -1.26 -1.43 116.55 126.02 1ofn n ASP 9 Ca 0.10 1.04 0.00 0.00 -1.51 0.00 0.00 54.79 54.42 1ofn n ASP 9 Cb 0.47 -1.32 0.00 0.00 2.34 0.00 0.00 41.12 42.61 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 3.81 3.08 3.78 0.27 0.00 -1.26 -4.91 105.19 109.96 1ofn n GLY 10 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.15 3.19 -0.01 4.61 0.00 -0.52 -4.63 121.76 122.25 1ofn s ALA 11 Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.58 1ofn s ALA 11 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.91 1ofn s ALA 11 CO 0.00 0.04 -0.04 0.42 0.00 0.00 0.00 175.76 176.18 1ofn s ILE 12 N -1.59 0.34 -0.24 0.00 1.01 -1.03 -1.34 121.20 118.35 1ofn s ILE 12 Ca 0.52 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 1ofn s ILE 12 Cb -0.21 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 1ofn s ILE 12 CO 0.26 0.13 0.15 -0.70 0.00 0.00 0.00 174.94 174.78 1ofn s GLU 13 N 0.28 4.03 -0.13 2.79 2.12 -0.08 -1.05 118.70 126.65 1ofn s GLU 13 Ca -0.03 -0.29 -0.03 0.00 0.36 0.00 0.00 54.97 54.98 1ofn s GLU 13 Cb -0.06 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 1ofn s GLU 13 CO -0.00 0.04 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.65 1ofn s PHE 14 N 1.11 3.01 -0.38 5.30 0.08 0.77 -0.59 117.98 127.29 1ofn s PHE 14 Ca 0.07 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 56.90 1ofn s PHE 14 Cb -0.14 -1.90 0.11 0.00 -0.57 0.00 0.00 43.02 40.52 1ofn s PHE 14 CO 0.05 0.06 0.14 0.99 -0.10 0.00 0.00 175.22 176.35 1ofn s THR 15 N 0.08 2.85 0.56 0.64 2.01 0.42 -0.53 115.64 121.67 1ofn s THR 15 Ca -0.01 -2.17 -0.16 0.00 0.31 0.00 0.00 61.69 59.66 1ofn s THR 15 Cb -0.14 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 1ofn s THR 15 CO 0.03 -0.65 1.04 -2.16 -0.69 0.00 0.00 174.62 172.19 1ofn s PRO 16 N 1.04 3.51 0.43 4.92 0.04 -1.26 -1.75 135.00 141.93 1ofn s PRO 16 Ca 0.09 1.17 -0.23 0.00 0.04 0.00 0.00 61.00 62.07 1ofn s PRO 16 Cb -0.21 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 1ofn s PRO 16 CO -0.06 -0.65 1.08 1.03 0.04 0.00 0.00 177.00 178.44 1ofn s ARG 17 N -3.98 3.98 -0.23 4.56 0.52 -1.26 -4.81 118.95 117.73 1ofn s ARG 17 Ca 0.63 1.56 -0.08 0.00 -0.52 0.00 0.00 55.73 57.32 1ofn s ARG 17 Cb -0.15 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 1ofn s ARG 17 CO 0.34 -0.31 0.09 0.08 0.02 0.00 0.00 175.30 175.52 1ofn s VAL 18 N -1.68 4.67 -0.17 3.52 1.01 -1.26 -4.55 120.40 121.94 1ofn s VAL 18 Ca 0.61 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.45 1ofn s VAL 18 Cb -0.23 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1ofn s VAL 18 CO 0.28 0.36 0.10 -0.36 0.00 0.00 0.00 175.10 175.48 1ofn s PHE 19 N 1.25 3.40 0.03 5.22 0.08 -0.13 -4.95 117.98 122.87 1ofn s PHE 19 Ca 0.05 0.30 0.05 0.00 0.12 0.00 0.00 56.93 57.45 1ofn s PHE 19 Cb -0.14 -2.06 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 1ofn s PHE 19 CO 0.04 0.38 -0.13 0.00 -0.10 0.00 0.00 175.22 175.41 1ofn s ALA 20 N -0.08 1.12 0.00 5.36 0.00 -1.26 -0.51 121.76 126.39 1ofn s ALA 20 Ca 0.09 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1ofn s ALA 20 Cb -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1ofn s ALA 20 CO 0.00 0.22 0.00 -0.40 0.00 0.00 0.00 175.76 175.58 1ofn n ASP 21 N 2.09 0.00 0.00 0.00 5.75 -0.55 -5.01 116.55 118.83 1ofn n ASP 21 Ca -0.17 -0.97 0.08 0.00 -0.01 0.00 0.00 54.79 53.72 1ofn n ASP 21 Cb 0.55 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.98 1ofn n ASP 21 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ofn n ASP 22 N -1.97 0.02 0.05 -1.12 5.75 -1.26 -2.40 116.55 115.61 1ofn n ASP 22 Ca 0.00 0.50 0.07 0.00 -0.01 0.00 0.00 54.79 55.35 1ofn n ASP 22 Cb 0.00 -0.51 -0.07 0.00 -1.03 0.00 0.00 41.12 39.51 1ofn n ASP 22 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ofn n ARG 23 N -1.52 0.63 0.00 0.11 1.74 -1.26 -5.08 116.66 111.28 1ofn n ARG 23 Ca 0.04 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1ofn n ARG 23 Cb 0.18 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 1ofn n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ofn n GLY 24 N 1.30 -0.12 3.21 -0.13 0.00 -1.01 -5.14 105.19 103.30 1ofn n GLY 24 Ca -0.06 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1ofn n GLY 24 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ofn s LEU 25 N 0.00 2.08 -0.09 0.99 0.05 -1.26 -1.48 118.68 118.97 1ofn s LEU 25 Ca 0.00 -1.16 -0.05 0.00 0.05 0.00 0.00 54.13 52.97 1ofn s LEU 25 Cb 0.00 0.04 0.04 0.00 -2.05 0.00 0.00 46.19 44.22 1ofn s LEU 25 CO 0.00 -0.60 0.22 -0.22 -0.55 0.00 0.00 176.35 175.20 1ofn s LEU 26 N -3.12 0.71 0.12 1.48 2.96 0.33 -4.98 118.68 116.17 1ofn s LEU 26 Ca 0.22 0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.64 1ofn s LEU 26 Cb 0.06 0.66 -0.04 0.00 0.50 0.00 0.00 46.19 47.38 1ofn s LEU 26 CO 0.02 -0.13 -0.13 0.27 -1.32 0.00 0.00 176.35 175.06 1ofn s ILE 27 N 0.88 1.22 -0.60 6.68 -4.36 -1.26 -0.96 121.20 122.80 1ofn s ILE 27 Ca -0.06 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 1ofn s ILE 27 Cb -0.08 -1.48 0.15 0.00 1.25 0.00 0.00 42.46 42.30 1ofn s ILE 27 CO -0.05 -0.46 0.38 -0.76 0.24 0.00 0.00 174.94 174.29 1ofn s LEU 28 N -2.46 4.87 0.38 0.37 1.02 -1.26 -5.00 118.68 116.60 1ofn s LEU 28 Ca 0.08 -2.98 0.09 0.00 0.02 0.00 0.00 54.13 51.34 1ofn s LEU 28 Cb -0.04 -1.77 0.76 0.00 0.02 0.00 0.00 46.19 45.16 1ofn s LEU 28 CO 0.02 -0.30 1.91 -0.65 0.02 0.00 0.00 176.35 177.35 1ofn h PRO 29 N 6.73 0.25 -5.32 1.29 0.11 -1.99 -3.40 132.00 129.67 1ofn h PRO 29 Ca -0.03 -0.06 -0.67 0.00 0.11 0.00 0.00 66.00 65.35 1ofn h PRO 29 Cb 0.92 -0.03 -0.31 0.00 0.11 0.00 0.00 31.00 31.68 1ofn h PRO 29 CO 0.71 0.39 -0.84 -0.47 -0.21 0.00 0.00 178.00 177.58 1ofn s TYR 30 N -4.72 2.65 -0.06 0.65 5.04 -1.26 -4.79 117.35 114.85 1ofn s TYR 30 Ca -0.06 -0.95 -0.01 0.00 -2.44 0.00 0.00 57.07 53.62 1ofn s TYR 30 Cb 0.15 -1.76 0.03 0.00 0.35 0.00 0.00 41.96 40.73 1ofn s TYR 30 CO 0.74 -0.37 -0.00 -0.65 -1.34 0.00 0.00 175.55 173.92 1ofn s GLN 31 N 0.39 0.56 0.23 4.97 -0.21 -1.26 -5.06 119.66 119.28 1ofn s GLN 31 Ca -0.16 0.09 -0.06 0.00 0.02 0.00 0.00 55.36 55.26 1ofn s GLN 31 Cb -0.17 -0.87 0.33 0.00 1.00 0.00 0.00 33.01 33.30 1ofn s GLN 31 CO 0.07 -0.26 1.83 1.05 -2.12 0.00 0.00 175.29 175.86 1ofn h GLU 32 N 8.06 0.81 -0.09 2.91 4.11 -1.99 -0.08 114.58 128.31 1ofn h GLU 32 Ca -0.24 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.13 1ofn h GLU 32 Cb 1.13 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1ofn h GLU 32 CO 0.30 0.54 0.02 0.93 0.07 0.00 0.00 179.01 180.88 1ofn h GLU 33 N 0.84 0.15 -0.59 1.06 5.08 -1.99 0.25 114.58 119.38 1ofn h GLU 33 Ca 0.36 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.61 1ofn h GLU 33 Cb 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1ofn h GLU 33 CO -0.20 0.33 0.08 0.00 -1.00 0.00 0.00 179.01 178.21 1ofn h ALA 34 N 0.82 1.02 0.26 3.43 0.00 -1.90 -1.47 119.26 121.42 1ofn h ALA 34 Ca 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ofn h ALA 34 Cb 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ofn h ALA 34 CO 0.00 0.62 -0.13 0.35 0.00 0.00 0.00 179.25 180.10 1ofn h PHE 35 N 0.91 -0.32 -0.85 0.00 3.57 -0.82 -2.35 116.94 117.08 1ofn h PHE 35 Ca 0.18 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1ofn h PHE 35 Cb 0.42 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 1ofn h PHE 35 CO 0.03 -0.17 0.55 0.28 -2.23 0.00 0.00 178.31 176.76 1ofn h VAL 36 N -0.39 1.14 -0.78 1.41 2.07 -0.78 0.17 116.25 119.10 1ofn h VAL 36 Ca -0.04 -0.37 0.11 0.00 0.82 0.00 0.00 66.70 67.22 1ofn h VAL 36 Cb 0.30 -0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 29.98 1ofn h VAL 36 CO 0.06 0.19 0.40 -0.33 0.02 0.00 0.00 177.57 177.92 1ofn h GLU 37 N 1.07 0.64 0.08 1.57 5.08 -1.17 0.12 114.58 121.96 1ofn h GLU 37 Ca 0.33 -0.04 -0.30 0.00 -1.00 0.00 0.00 59.36 58.35 1ofn h GLU 37 Cb -0.01 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1ofn h GLU 37 CO -0.11 0.42 -1.61 0.00 -1.00 0.00 0.00 179.01 176.72 1ofn h ALA 38 N 1.47 0.44 0.00 3.43 0.00 -0.86 -3.40 119.26 120.34 1ofn h ALA 38 Ca 0.39 -1.23 -0.36 0.00 0.00 0.00 0.00 54.91 53.71 1ofn h ALA 38 Cb 0.43 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1ofn h ALA 38 CO -0.29 1.29 -2.36 1.58 0.00 0.00 0.00 179.25 179.47 1ofn n HIS 39 N -3.34 0.02 -0.14 0.00 -0.00 0.55 -5.02 115.22 107.29 1ofn n HIS 39 Ca -0.18 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 1ofn n HIS 39 Cb 1.04 -0.99 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 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 1.73 0.72 3.67 1.57 0.00 0.39 -5.04 105.19 108.23 1ofn n GLY 40 Ca -0.32 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.49 -0.32 0.93 -0.02 0.00 -1.26 -4.93 107.32 100.23 1ofn s GLY 41 Ca 0.00 0.51 -0.13 0.00 0.00 0.00 0.00 44.72 45.10 1ofn s GLY 41 CO 0.00 0.12 1.17 2.56 0.00 0.00 0.00 173.10 176.95 1ofn s PRO 42 N -2.99 0.98 0.69 2.90 0.04 -1.22 -4.03 135.00 131.38 1ofn s PRO 42 Ca 0.11 0.14 -0.17 0.00 0.04 0.00 0.00 61.00 61.12 1ofn s PRO 42 Cb 0.00 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1ofn s PRO 42 CO -0.02 -2.27 1.27 -1.17 0.04 0.00 0.00 177.00 174.85 1ofn s LEU 43 N -6.03 3.46 0.69 -3.56 2.96 -1.26 -4.53 118.68 110.40 1ofn s LEU 43 Ca 0.66 2.54 -0.17 0.00 -0.22 0.00 0.00 54.13 56.94 1ofn s LEU 43 Cb -0.12 -4.61 -0.04 0.00 0.50 0.00 0.00 46.19 41.92 1ofn s LEU 43 CO 0.53 -2.18 0.66 2.22 -1.32 0.00 0.00 176.35 176.26 1ofn n PHE 44 N -2.29 -0.33 -1.80 5.38 1.16 -1.26 -4.81 117.46 113.52 1ofn n PHE 44 Ca 0.15 0.38 -0.41 0.00 -1.87 0.00 0.00 57.45 55.70 1ofn n PHE 44 Cb 0.49 -1.98 -0.01 0.00 -1.61 0.00 0.00 39.48 36.37 1ofn n PHE 44 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1ofn s ARG 45 N -2.78 4.13 -0.26 3.97 1.81 -1.26 -4.94 118.95 119.62 1ofn s ARG 45 Ca 0.69 2.56 -0.23 0.00 -1.72 0.00 0.00 55.73 57.02 1ofn s ARG 45 Cb -0.37 -3.02 -0.01 0.00 -0.45 0.00 0.00 34.95 31.10 1ofn s ARG 45 CO 0.55 -0.60 0.78 0.08 -0.68 0.00 0.00 175.30 175.42 1ofn s VAL 46 N -0.17 4.86 -0.13 3.52 1.01 -1.26 -4.46 120.40 123.77 1ofn s VAL 46 Ca 0.61 1.41 0.19 0.00 0.00 0.00 0.00 61.98 64.19 1ofn s VAL 46 Cb -0.47 -4.08 -0.19 0.00 0.00 0.00 0.00 36.38 31.63 1ofn s VAL 46 CO 0.50 -0.08 0.61 0.00 0.00 0.00 0.00 175.10 176.13 1ofn n ALA 47 N 5.97 2.14 -3.58 5.51 0.00 -0.22 -5.01 120.51 125.32 1ofn n ALA 47 Ca 0.04 -0.66 -0.12 0.00 0.00 0.00 0.00 53.44 52.69 1ofn n ALA 47 Cb 0.48 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 1ofn n ALA 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1ofn s GLN 48 N -3.04 0.71 0.25 0.00 0.74 -1.22 -4.61 119.66 112.48 1ofn s GLN 48 Ca -0.05 0.38 0.11 0.00 0.05 0.00 0.00 55.36 55.84 1ofn s GLN 48 Cb 0.10 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.50 1ofn s GLN 48 CO 0.84 -0.18 -0.12 0.95 -0.55 0.00 0.00 175.29 176.23 1ofn s THR 49 N -0.63 2.91 0.02 -0.34 -4.23 -1.26 -1.06 115.64 111.04 1ofn s THR 49 Ca -0.03 -2.06 0.06 0.00 -1.18 0.00 0.00 61.69 58.49 1ofn s THR 49 Cb -0.02 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 1ofn s THR 49 CO 0.02 -0.30 -0.18 -0.63 -0.54 0.00 0.00 174.62 172.98 1ofn s ILE 50 N -2.19 1.46 -0.23 2.99 1.01 -0.68 -4.97 121.20 118.58 1ofn s ILE 50 Ca 0.28 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 1ofn s ILE 50 Cb -0.07 -1.25 0.07 0.00 0.01 0.00 0.00 42.46 41.22 1ofn s ILE 50 CO 0.16 0.26 0.01 -2.28 0.00 0.00 0.00 174.94 173.09 1ofn s HIS 51 N -0.63 1.75 -0.05 3.97 5.65 -1.26 -1.46 115.29 123.26 1ofn s HIS 51 Ca 0.06 -1.41 0.04 0.00 0.25 0.00 0.00 55.06 54.00 1ofn s HIS 51 Cb -0.08 -1.41 -0.02 0.00 -1.18 0.00 0.00 32.58 29.89 1ofn s HIS 51 CO 0.01 -0.73 -0.17 -1.54 -0.65 0.00 0.00 174.74 171.66 1ofn s SER 52 N 1.61 3.81 -0.07 9.88 1.04 -0.59 -4.98 113.70 124.41 1ofn s SER 52 Ca -0.01 -0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.20 1ofn s SER 52 Cb -0.18 -0.84 -0.01 0.00 0.10 0.00 0.00 66.02 65.09 1ofn s SER 52 CO -0.10 0.32 -0.21 -0.32 0.98 0.00 0.00 173.24 173.91 1ofn s MET 53 N -0.58 2.70 0.05 4.02 1.75 -1.26 -1.03 119.30 124.96 1ofn s MET 53 Ca 0.08 -0.84 0.04 0.00 -1.25 0.00 0.00 55.69 53.72 1ofn s MET 53 Cb -0.11 -2.28 -0.03 0.00 2.84 0.00 0.00 34.83 35.25 1ofn s MET 53 CO 0.01 0.39 -0.11 -1.12 -0.65 0.00 0.00 175.02 173.53 1ofn s SER 54 N -0.15 1.30 0.59 1.11 0.01 0.17 -4.94 113.70 111.80 1ofn s SER 54 Ca -0.03 -0.56 -0.12 0.00 1.31 0.00 0.00 55.95 56.56 1ofn s SER 54 Cb -0.14 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 1ofn s SER 54 CO 0.04 -0.11 1.01 -0.54 0.41 0.00 0.00 173.24 174.04 1ofn s LYS 55 N -1.57 3.66 0.26 12.44 1.02 -1.26 -1.87 119.74 132.42 1ofn s LYS 55 Ca -0.05 0.76 -0.31 0.00 0.02 0.00 0.00 55.97 56.39 1ofn s LYS 55 Cb -0.10 -2.11 -0.12 0.00 -0.52 0.00 0.00 37.83 34.98 1ofn s LYS 55 CO 0.01 -0.50 1.55 -2.13 -0.92 0.00 0.00 175.35 173.36 1ofn n ARG 56 N -2.52 2.45 -0.18 1.68 0.63 -1.21 -2.01 116.66 115.50 1ofn n ARG 56 Ca 0.06 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 1ofn n ARG 56 Cb 0.54 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.83 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 2.43 1.19 3.74 5.14 0.00 -0.06 -4.92 105.19 112.71 1ofn n GLY 57 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.67 3.04 -0.14 1.61 1.01 -0.85 -1.57 120.40 120.84 1ofn s VAL 58 Ca 0.00 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.85 1ofn s VAL 58 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1ofn s VAL 58 CO 0.00 0.12 -0.19 -0.69 0.00 0.00 0.00 175.10 174.34 1ofn s VAL 59 N 0.17 2.34 -0.07 2.92 1.01 -0.47 -1.04 120.40 125.26 1ofn s VAL 59 Ca 0.58 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1ofn s VAL 59 Cb -0.38 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1ofn s VAL 59 CO 0.39 0.54 -0.20 -0.13 0.00 0.00 0.00 175.10 175.70 1ofn s ARG 60 N 0.73 2.72 0.00 2.72 0.52 -0.54 -4.52 118.95 120.58 1ofn s ARG 60 Ca -0.08 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 1ofn s ARG 60 Cb -0.16 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.00 1ofn s ARG 60 CO 0.01 0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.14 1ofn n GLY 61 N 2.93 0.64 3.71 -3.53 0.00 -1.26 -1.37 105.19 106.31 1ofn n GLY 61 Ca -0.18 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.23 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 -0.77 4.86 -0.09 -0.61 1.01 -0.07 -4.27 121.20 121.26 1ofn s ILE 62 Ca 0.00 2.06 -0.00 0.00 0.00 0.00 0.00 60.65 62.70 1ofn s ILE 62 Cb 0.00 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1ofn s ILE 62 CO 0.00 0.14 -0.07 -1.00 0.00 0.00 0.00 174.94 174.01 1ofn s HIS 63 N 1.14 2.93 0.14 3.97 3.76 -0.07 -0.73 115.29 126.42 1ofn s HIS 63 Ca 0.52 -0.13 -0.10 0.00 -0.15 0.00 0.00 55.06 55.19 1ofn s HIS 63 Cb -0.21 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.71 1ofn s HIS 63 CO 0.27 0.18 0.29 1.52 -0.85 0.00 0.00 174.74 176.15 1ofn s TYR 64 N -0.42 0.20 -0.12 1.40 -0.85 -0.77 -1.49 117.35 115.30 1ofn s TYR 64 Ca 0.06 -0.58 -0.05 0.00 -0.52 0.00 0.00 57.07 55.99 1ofn s TYR 64 Cb -0.12 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.20 1ofn s TYR 64 CO 0.02 -0.67 0.06 0.99 -1.52 0.00 0.00 175.55 174.43 1ofn s THR 65 N -3.90 4.81 0.14 -3.49 2.01 -1.26 -0.73 115.64 113.21 1ofn s THR 65 Ca 0.10 -0.05 -0.35 0.00 0.31 0.00 0.00 61.69 61.71 1ofn s THR 65 Cb 0.03 -3.08 -0.16 0.00 0.01 0.00 0.00 72.50 69.31 1ofn s THR 65 CO -0.06 0.58 1.34 0.52 -0.69 0.00 0.00 174.62 176.32 1ofn n VAL 66 N 2.38 0.34 -3.94 3.82 0.31 0.35 -4.51 118.33 117.08 1ofn n VAL 66 Ca -0.19 -0.09 -0.29 0.00 -0.01 0.00 0.00 64.34 63.77 1ofn n VAL 66 Cb 0.54 -1.03 -0.16 0.00 -0.91 0.00 0.00 33.84 32.27 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 0.32 1.32 0.80 2.52 2.01 -1.26 -0.69 115.64 120.65 1ofn s THR 67 Ca 0.79 -0.70 -0.11 0.00 0.31 0.00 0.00 61.69 61.98 1ofn s THR 67 Cb -0.84 -1.41 0.07 0.00 0.01 0.00 0.00 72.50 70.33 1ofn s THR 67 CO 0.47 0.21 1.11 -2.16 -0.69 0.00 0.00 174.62 173.56 1ofn s PRO 68 N 1.55 2.01 0.31 4.92 0.04 -1.26 -4.64 135.00 137.94 1ofn s PRO 68 Ca 0.01 1.28 0.17 0.00 0.04 0.00 0.00 61.00 62.50 1ofn s PRO 68 Cb -0.15 -1.86 0.13 0.00 0.04 0.00 0.00 34.50 32.66 1ofn s PRO 68 CO -0.08 -1.84 1.46 -1.00 0.04 0.00 0.00 177.00 175.58 1ofn h PRO 69 N -1.20 0.00 -1.13 0.56 0.13 -1.78 -3.52 132.00 125.06 1ofn h PRO 69 Ca -0.44 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.81 1ofn h PRO 69 Cb 1.24 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1ofn h PRO 69 CO 0.49 0.35 -0.36 0.41 -0.23 0.00 0.00 178.00 178.66 1ofn n GLY 70 N 1.20 -2.55 2.88 1.56 0.00 0.13 -5.02 105.19 103.39 1ofn n GLY 70 Ca 0.02 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.96 -0.03 0.12 2.61 2.01 -1.26 -4.80 115.64 111.33 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 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.35 1ofn s THR 71 CO 0.00 0.05 0.18 0.00 -0.69 0.00 0.00 174.62 174.16 1ofn s ALA 72 N 0.64 3.77 0.05 7.40 0.00 -1.26 -4.01 121.76 128.35 1ofn s ALA 72 Ca -0.05 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 1ofn s ALA 72 Cb -0.07 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 1ofn s ALA 72 CO -0.02 0.63 0.01 0.15 0.00 0.00 0.00 175.76 176.53 1ofn s LYS 73 N -2.87 0.63 -0.05 0.00 1.02 -0.68 -1.53 119.74 116.26 1ofn s LYS 73 Ca 0.32 -1.12 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 1ofn s LYS 73 Cb -0.11 0.23 0.03 0.00 -0.52 0.00 0.00 37.83 37.45 1ofn s LYS 73 CO 0.25 -0.13 0.03 -0.47 -0.92 0.00 0.00 175.35 174.11 1ofn s TYR 74 N -3.69 0.30 0.04 3.18 5.04 -0.35 -0.85 117.35 121.02 1ofn s TYR 74 Ca 0.05 0.07 0.04 0.00 -2.44 0.00 0.00 57.07 54.79 1ofn s TYR 74 Cb 0.06 -0.56 -0.02 0.00 0.35 0.00 0.00 41.96 41.79 1ofn s TYR 74 CO -0.09 -0.22 -0.11 0.54 -1.34 0.00 0.00 175.55 174.32 1ofn s VAL 75 N 1.85 0.87 0.14 3.14 0.11 -0.15 -0.95 120.40 125.40 1ofn s VAL 75 Ca 0.02 -0.95 -0.12 0.00 -2.93 0.00 0.00 61.98 58.00 1ofn s VAL 75 Cb -0.12 -0.82 0.01 0.00 -1.53 0.00 0.00 36.38 33.91 1ofn s VAL 75 CO -0.03 -0.10 0.32 -0.72 -3.33 0.00 0.00 175.10 171.23 1ofn s TYR 76 N -0.93 0.12 -0.41 1.54 -0.85 -0.68 -0.55 117.35 115.60 1ofn s TYR 76 Ca -0.02 -0.49 -0.18 0.00 -0.52 0.00 0.00 57.07 55.86 1ofn s TYR 76 Cb -0.08 0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.36 1ofn s TYR 76 CO 0.01 -0.69 0.50 0.00 -1.52 0.00 0.00 175.55 173.84 1ofn n ALA 78 N 5.78 3.50 -3.58 0.00 0.00 0.06 -4.85 120.51 121.42 1ofn n ALA 78 Ca -0.05 -0.36 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 1ofn n ALA 78 Cb 0.48 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.93 0.89 3.41 0.00 3.52 -1.22 -4.92 118.95 117.69 1ofn s ARG 79 Ca 0.13 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 56.34 1ofn s ARG 79 Cb 0.18 0.43 0.00 0.00 -1.56 0.00 0.00 34.95 34.00 1ofn s ARG 79 CO 0.68 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 175.38 1ofn n GLY 80 N 1.80 -0.06 3.29 8.12 0.00 -1.26 -0.79 105.19 116.29 1ofn n GLY 80 Ca -0.16 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 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 0.44 0.02 1.61 2.20 -1.26 -3.85 119.74 118.90 1ofn s LYS 81 Ca 0.00 0.66 -0.02 0.00 -0.36 0.00 0.00 55.97 56.24 1ofn s LYS 81 Cb 0.00 0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1ofn s LYS 81 CO 0.00 -0.10 0.02 0.00 -0.36 0.00 0.00 175.35 174.91 1ofn s ALA 82 N 0.70 -0.01 -0.40 3.13 0.00 -0.14 -0.33 121.76 124.70 1ofn s ALA 82 Ca -0.04 -0.46 -0.13 0.00 0.00 0.00 0.00 51.96 51.33 1ofn s ALA 82 Cb -0.05 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.24 1ofn s ALA 82 CO -0.05 -0.18 0.27 1.41 0.00 0.00 0.00 175.76 177.21 1ofn s MET 83 N -1.47 2.89 0.05 0.00 1.75 -0.39 -0.67 119.30 121.46 1ofn s MET 83 Ca -0.15 -1.08 -0.18 0.00 -1.25 0.00 0.00 55.69 53.02 1ofn s MET 83 Cb -0.09 -3.88 -0.06 0.00 2.84 0.00 0.00 34.83 33.63 1ofn s MET 83 CO -0.00 -0.76 0.52 0.34 -0.65 0.00 0.00 175.02 174.47 1ofn s ASP 84 N 1.70 6.99 -0.05 1.11 2.15 -0.11 -1.97 116.67 126.49 1ofn s ASP 84 Ca 0.04 1.18 0.02 0.00 0.43 0.00 0.00 52.55 54.21 1ofn s ASP 84 Cb -0.20 -2.33 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 1ofn s ASP 84 CO 0.08 0.29 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.67 1ofn s ILE 85 N -1.10 0.78 -0.12 4.11 1.01 0.30 -0.49 121.20 125.69 1ofn s ILE 85 Ca 0.27 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.65 1ofn s ILE 85 Cb -0.19 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 1ofn s ILE 85 CO 0.17 0.28 -0.10 0.54 0.00 0.00 0.00 174.94 175.83 1ofn s VAL 86 N 0.79 3.31 -0.11 2.92 0.11 -0.33 -1.69 120.40 125.40 1ofn s VAL 86 Ca -0.13 -0.58 0.03 0.00 -2.93 0.00 0.00 61.98 58.37 1ofn s VAL 86 Cb -0.15 -2.39 0.01 0.00 -1.53 0.00 0.00 36.38 32.32 1ofn s VAL 86 CO 0.02 0.53 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.48 1ofn s ILE 87 N 0.09 1.91 -0.61 7.04 1.09 -0.07 -1.22 121.20 129.44 1ofn s ILE 87 Ca -0.04 -0.91 -0.23 0.00 -1.10 0.00 0.00 60.65 58.36 1ofn s ILE 87 Cb -0.14 -1.68 0.06 0.00 -1.06 0.00 0.00 42.46 39.63 1ofn s ILE 87 CO 0.04 0.52 0.94 -0.62 -0.10 0.00 0.00 174.94 175.73 1ofn s ASP 88 N 0.61 6.24 -0.16 3.58 -1.08 0.13 -0.74 116.67 125.25 1ofn s ASP 88 Ca -0.13 -0.71 0.16 0.00 -0.52 0.00 0.00 52.55 51.34 1ofn s ASP 88 Cb -0.17 -2.42 0.61 0.00 -1.46 0.00 0.00 42.92 39.48 1ofn s ASP 88 CO 0.03 -1.33 1.52 2.30 0.52 0.00 0.00 175.17 178.21 1ofn n ILE 89 N 6.02 2.19 -3.00 4.11 -5.35 -1.26 -0.20 119.36 121.87 1ofn n ILE 89 Ca -0.02 -1.55 -0.43 0.00 -0.27 0.00 0.00 62.75 60.48 1ofn n ILE 89 Cb 0.46 -0.11 -0.06 0.00 -1.74 0.00 0.00 39.64 38.20 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 -2.44 3.31 0.19 6.28 0.52 -1.26 -4.04 118.95 121.51 1ofn s ARG 90 Ca 0.45 -0.34 -0.32 0.00 -0.52 0.00 0.00 55.73 55.00 1ofn s ARG 90 Cb 0.33 -3.99 -0.11 0.00 0.52 0.00 0.00 34.95 31.70 1ofn s ARG 90 CO 0.14 -1.19 1.72 0.08 0.02 0.00 0.00 175.30 176.08 1ofn s VAL 91 N 3.21 2.17 0.00 3.52 1.01 -0.06 -1.15 120.40 129.10 1ofn s VAL 91 Ca 0.26 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1ofn s VAL 91 Cb -0.14 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1ofn s VAL 91 CO 0.19 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1ofn n GLY 92 N 4.00 0.75 3.76 4.51 0.00 -1.26 -0.69 105.19 116.26 1ofn n GLY 92 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.94 5.74 0.40 1.61 0.15 -0.30 -4.89 113.70 114.47 1ofn s SER 93 Ca 0.00 2.52 0.28 0.00 0.70 0.00 0.00 55.95 59.45 1ofn s SER 93 Cb 0.00 -2.62 1.38 0.00 -1.71 0.00 0.00 66.02 63.08 1ofn s SER 93 CO 0.00 -1.23 1.85 1.55 1.20 0.00 0.00 173.24 176.61 1ofn h PRO 94 N 1.76 0.00 0.00 5.44 0.13 -1.97 -2.06 132.00 135.30 1ofn h PRO 94 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ofn h PRO 94 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ofn h PRO 94 CO 0.59 0.00 -0.19 0.25 -0.23 0.00 0.00 178.00 178.42 1ofn n THR 95 N -2.52 1.97 -1.62 1.56 -2.24 -1.26 -5.06 114.28 105.11 1ofn n THR 95 Ca -0.00 -2.59 -0.47 0.00 -2.27 0.00 0.00 64.05 58.72 1ofn n THR 95 Cb 0.13 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.30 1.73 0.00 4.78 7.35 -0.78 -1.66 117.46 127.58 1ofn n PHE 96 Ca 0.17 0.55 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 1ofn n PHE 96 Cb 0.66 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 38.12 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 2.09 2.23 3.90 7.13 0.00 0.72 -5.02 105.19 116.24 1ofn n GLY 97 Ca 0.13 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 -0.38 3.56 0.13 1.61 -0.21 -0.67 -4.83 119.66 118.87 1ofn s GLN 98 Ca 0.00 0.24 0.02 0.00 0.02 0.00 0.00 55.36 55.64 1ofn s GLN 98 Cb 0.00 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 1ofn s GLN 98 CO 0.00 -0.20 -0.06 1.67 -2.12 0.00 0.00 175.29 174.58 1ofn s TRP 99 N -2.73 1.06 0.05 0.91 1.48 -1.26 -0.70 118.94 117.76 1ofn s TRP 99 Ca 0.48 -0.90 -0.03 0.00 -1.06 0.00 0.00 56.10 54.59 1ofn s TRP 99 Cb -0.10 -0.59 -0.03 0.00 -1.16 0.00 0.00 33.47 31.59 1ofn s TRP 99 CO 0.44 -0.11 0.03 0.34 -4.06 0.00 0.00 176.95 173.59 1ofn s ASP 100 N -3.11 0.34 0.02 -2.66 -1.08 -0.36 -4.84 116.67 104.99 1ofn s ASP 100 Ca 0.16 -0.79 0.01 0.00 -0.52 0.00 0.00 52.55 51.42 1ofn s ASP 100 Cb 0.05 0.21 -0.02 0.00 -1.46 0.00 0.00 42.92 41.70 1ofn s ASP 100 CO -0.01 -0.56 -0.06 -0.94 0.52 0.00 0.00 175.17 174.12 1ofn s SER 101 N -2.55 0.60 -0.09 -0.34 1.04 -1.26 -1.18 113.70 109.92 1ofn s SER 101 Ca 0.01 -0.39 -0.00 0.00 0.48 0.00 0.00 55.95 56.05 1ofn s SER 101 Cb 0.03 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.20 1ofn s SER 101 CO -0.08 -0.15 -0.06 -0.69 0.98 0.00 0.00 173.24 173.25 1ofn s VAL 102 N -0.99 0.81 -0.13 5.02 1.01 0.36 -4.98 120.40 121.50 1ofn s VAL 102 Ca -0.08 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1ofn s VAL 102 Cb -0.07 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 1ofn s VAL 102 CO -0.00 0.32 1.12 -0.22 0.00 0.00 0.00 175.10 176.32 1ofn s LEU 103 N 1.56 4.21 -0.27 3.92 2.96 -1.26 -0.93 118.68 128.86 1ofn s LEU 103 Ca 0.01 1.61 -0.01 0.00 -0.22 0.00 0.00 54.13 55.52 1ofn s LEU 103 Cb -0.13 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.05 1ofn s LEU 103 CO -0.05 -0.60 -0.05 -0.04 -1.32 0.00 0.00 176.35 174.29 1ofn s MET 104 N 2.62 2.52 0.28 1.98 -1.94 0.16 -4.74 119.30 120.19 1ofn s MET 104 Ca 0.51 -1.19 0.03 0.00 -1.71 0.00 0.00 55.69 53.33 1ofn s MET 104 Cb -0.20 -3.04 -0.01 0.00 2.01 0.00 0.00 34.83 33.59 1ofn s MET 104 CO 0.16 -0.53 0.11 -0.40 -0.01 0.00 0.00 175.02 174.34 1ofn n ASP 105 N 4.59 1.09 0.08 3.03 5.68 -1.26 -0.97 116.55 128.79 1ofn n ASP 105 Ca -0.15 -2.52 0.12 0.00 -0.50 0.00 0.00 54.79 51.74 1ofn n ASP 105 Cb 0.44 0.74 0.07 0.00 -1.14 0.00 0.00 41.12 41.23 1ofn n ASP 105 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1ofn h GLN 106 N 0.00 0.00 0.12 0.11 1.08 -1.89 -3.20 115.11 111.33 1ofn h GLN 106 Ca -0.22 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.69 1ofn h GLN 106 Cb 0.85 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.30 1ofn h GLN 106 CO 0.35 0.00 -1.23 0.37 -0.95 0.00 0.00 178.83 177.37 1ofn h GLN 107 N 0.00 0.52 -2.16 1.46 5.75 -1.97 -3.39 115.11 115.32 1ofn h GLN 107 Ca 0.00 -0.72 -0.58 0.00 -0.15 0.00 0.00 58.65 57.20 1ofn h GLN 107 Cb 0.86 0.24 -0.40 0.00 1.07 0.00 0.00 27.48 29.25 1ofn h GLN 107 CO 0.00 1.32 -0.90 -0.25 -2.65 0.00 0.00 178.83 176.35 1ofn n ASP 108 N -3.73 1.41 -4.70 -0.69 8.00 -1.26 -5.02 116.55 110.56 1ofn n ASP 108 Ca -0.12 -2.93 -0.41 0.00 0.71 0.00 0.00 54.79 52.05 1ofn n ASP 108 Cb 0.99 -0.65 0.02 0.00 -0.02 0.00 0.00 41.12 41.46 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 1.41 1.87 -4.01 -0.24 -0.02 -1.21 -4.45 135.00 128.35 1ofn n PRO 109 Ca 0.25 0.67 -0.13 0.00 -2.02 0.00 0.00 63.50 62.27 1ofn n PRO 109 Cb 0.48 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 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 -2.28 0.27 0.20 -0.52 0.52 -1.26 -3.99 118.95 111.88 1ofn s ARG 110 Ca 0.62 -0.28 0.10 0.00 -0.52 0.00 0.00 55.73 55.65 1ofn s ARG 110 Cb -0.50 -0.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.78 1ofn s ARG 110 CO 0.57 0.03 -0.12 0.00 0.02 0.00 0.00 175.30 175.80 1ofn s ALA 111 N -0.51 2.88 -0.04 2.13 0.00 0.31 -4.28 121.76 122.25 1ofn s ALA 111 Ca -0.04 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 50.39 1ofn s ALA 111 Cb -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1ofn s ALA 111 CO -0.00 0.42 -0.12 0.08 0.00 0.00 0.00 175.76 176.13 1ofn s VAL 112 N -1.84 1.08 -0.20 0.00 1.01 0.29 -0.16 120.40 120.57 1ofn s VAL 112 Ca 0.25 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1ofn s VAL 112 Cb -0.08 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1ofn s VAL 112 CO 0.15 0.33 0.36 -0.47 0.00 0.00 0.00 175.10 175.46 1ofn s TYR 113 N 0.24 3.38 -0.34 5.22 6.14 -0.21 -0.98 117.35 130.79 1ofn s TYR 113 Ca -0.06 0.56 -0.07 0.00 0.64 0.00 0.00 57.07 58.15 1ofn s TYR 113 Cb -0.11 -2.47 0.04 0.00 0.42 0.00 0.00 41.96 39.83 1ofn s TYR 113 CO 0.02 0.03 0.11 -0.51 0.64 0.00 0.00 175.55 175.84 1ofn s LEU 114 N 1.18 4.34 0.98 6.97 1.43 -0.03 -2.46 118.68 131.08 1ofn s LEU 114 Ca 0.17 -1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 52.05 1ofn s LEU 114 Cb -0.14 -1.88 0.17 0.00 0.03 0.00 0.00 46.19 44.36 1ofn s LEU 114 CO 0.07 -0.33 1.05 -2.65 0.23 0.00 0.00 176.35 174.72 1ofn n PRO 115 N 4.83 -0.86 -1.66 1.29 -0.02 -1.26 -1.69 135.00 135.63 1ofn n PRO 115 Ca -0.12 -0.19 -0.44 0.00 -2.02 0.00 0.00 63.50 60.73 1ofn n PRO 115 Cb 0.45 -2.29 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 1ofn n PRO 115 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ofn n VAL 116 N -4.36 1.84 -0.17 -1.45 0.31 -1.26 -2.93 118.33 110.32 1ofn n VAL 116 Ca 0.10 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1ofn n VAL 116 Cb 0.53 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 1.10 1.40 3.94 2.92 0.00 -1.26 -4.78 105.19 108.52 1ofn n GLY 117 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.72 3.57 0.07 1.61 -7.23 -1.15 -4.16 120.40 110.40 1ofn s VAL 118 Ca 0.00 -0.36 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 1ofn s VAL 118 Cb 0.00 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 1ofn s VAL 118 CO 0.00 -0.30 0.17 -0.83 -0.31 0.00 0.00 175.10 173.83 1ofn s GLY 119 N -4.30 2.11 0.00 2.32 0.00 0.08 -4.63 107.32 102.91 1ofn s GLY 119 Ca 0.52 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 44.39 1ofn s GLY 119 CO 0.41 -0.89 -0.18 -1.58 0.00 0.00 0.00 173.10 170.86 1ofn s HIS 120 N -1.48 1.60 0.12 1.90 2.46 -0.55 -0.89 115.29 118.45 1ofn s HIS 120 Ca 0.33 -0.32 -0.10 0.00 0.47 0.00 0.00 55.06 55.44 1ofn s HIS 120 Cb -0.13 -1.01 0.00 0.00 -0.13 0.00 0.00 32.58 31.32 1ofn s HIS 120 CO 0.26 0.00 0.27 0.00 -2.47 0.00 0.00 174.74 172.80 1ofn s ALA 121 N -0.53 -0.32 0.14 1.58 0.00 -0.68 -0.89 121.76 121.06 1ofn s ALA 121 Ca 0.06 -0.57 -0.19 0.00 0.00 0.00 0.00 51.96 51.26 1ofn s ALA 121 Cb -0.07 0.65 0.05 0.00 0.00 0.00 0.00 23.12 23.74 1ofn s ALA 121 CO -0.00 -0.59 0.48 -0.59 0.00 0.00 0.00 175.76 175.07 1ofn s PHE 122 N -3.88 -0.33 -0.05 0.00 -0.71 -0.47 -0.54 117.98 112.00 1ofn s PHE 122 Ca 0.08 0.05 0.06 0.00 -1.04 0.00 0.00 56.93 56.08 1ofn s PHE 122 Cb 0.04 0.38 -0.01 0.00 -1.21 0.00 0.00 43.02 42.22 1ofn s PHE 122 CO -0.08 -0.77 -0.23 0.54 -1.34 0.00 0.00 175.22 173.34 1ofn s VAL 123 N -3.79 1.90 -0.11 -2.49 0.11 -0.83 -1.46 120.40 113.73 1ofn s VAL 123 Ca 0.03 -0.99 -0.25 0.00 -2.93 0.00 0.00 61.98 57.84 1ofn s VAL 123 Cb 0.01 -1.60 -0.03 0.00 -1.53 0.00 0.00 36.38 33.23 1ofn s VAL 123 CO -0.12 0.53 0.80 0.00 -3.33 0.00 0.00 175.10 172.98 1ofn s ALA 124 N -0.18 3.39 -0.95 1.54 0.00 -0.21 -1.27 121.76 124.09 1ofn s ALA 124 Ca -0.02 0.14 0.22 0.00 0.00 0.00 0.00 51.96 52.31 1ofn s ALA 124 Cb -0.13 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1ofn s ALA 124 CO 0.03 -0.38 1.02 1.28 0.00 0.00 0.00 175.76 177.71 1ofn n LEU 125 N 4.48 0.83 -4.06 0.00 4.77 0.54 -0.88 117.00 122.68 1ofn n LEU 125 Ca 0.02 -0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 55.58 1ofn n LEU 125 Cb 0.50 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1ofn n LEU 125 CO 0.48 0.20 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.76 1ofn s GLU 126 N -3.03 0.54 0.91 3.23 2.02 -1.23 -4.84 118.70 116.30 1ofn s GLU 126 Ca 0.08 -0.98 -0.11 0.00 0.02 0.00 0.00 54.97 53.99 1ofn s GLU 126 Cb 0.16 0.04 0.14 0.00 0.10 0.00 0.00 34.13 34.57 1ofn s GLU 126 CO 0.83 -0.05 1.12 -0.51 0.02 0.00 0.00 175.26 176.66 1ofn s ASP 127 N -2.28 3.11 -1.46 -0.19 1.01 -1.26 -3.36 116.67 112.24 1ofn s ASP 127 Ca -0.02 1.97 -0.08 0.00 0.71 0.00 0.00 52.55 55.13 1ofn s ASP 127 Cb -0.01 -2.49 0.03 0.00 1.01 0.00 0.00 42.92 41.46 1ofn s ASP 127 CO -0.05 -2.94 0.88 0.47 0.21 0.00 0.00 175.17 173.74 1ofn n ASP 128 N -4.12 -5.81 -4.66 0.27 8.00 -0.96 -4.80 116.55 104.47 1ofn n ASP 128 Ca 0.10 -0.47 -0.40 0.00 0.71 0.00 0.00 54.79 54.73 1ofn n ASP 128 Cb 0.53 -4.64 -0.06 0.00 -0.02 0.00 0.00 41.12 36.92 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 -3.23 5.04 -0.20 -3.53 2.01 -0.78 -4.08 115.64 110.87 1ofn s THR 129 Ca 0.48 1.14 -0.05 0.00 0.31 0.00 0.00 61.69 63.57 1ofn s THR 129 Cb -0.22 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 1ofn s THR 129 CO 0.59 0.13 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.95 1ofn s VAL 130 N 1.82 3.86 -0.19 3.82 1.01 0.03 -0.65 120.40 130.11 1ofn s VAL 130 Ca 0.28 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1ofn s VAL 130 Cb -0.16 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1ofn s VAL 130 CO 0.10 0.43 0.02 -0.04 0.00 0.00 0.00 175.10 175.61 1ofn s MET 131 N 1.04 3.76 -0.16 2.72 -1.94 -0.19 -0.76 119.30 123.76 1ofn s MET 131 Ca 0.02 -0.45 0.01 0.00 -1.71 0.00 0.00 55.69 53.55 1ofn s MET 131 Cb -0.14 -3.10 0.01 0.00 2.01 0.00 0.00 34.83 33.60 1ofn s MET 131 CO 0.01 0.15 -0.19 0.45 -0.01 0.00 0.00 175.02 175.44 1ofn s SER 132 N 0.66 3.32 0.09 3.03 0.15 -0.07 -1.54 113.70 119.33 1ofn s SER 132 Ca 0.01 -0.58 0.08 0.00 0.70 0.00 0.00 55.95 56.17 1ofn s SER 132 Cb -0.14 -1.50 -0.03 0.00 -1.71 0.00 0.00 66.02 62.64 1ofn s SER 132 CO 0.02 0.05 -0.22 -0.31 1.20 0.00 0.00 173.24 173.98 1ofn s TYR 133 N 1.01 1.89 -0.10 3.44 2.02 -0.53 -1.68 117.35 123.40 1ofn s TYR 133 Ca -0.02 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 1ofn s TYR 133 Cb -0.15 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.32 1ofn s TYR 133 CO -0.05 0.19 -0.07 -1.64 -1.57 0.00 0.00 175.55 172.40 1ofn s MET 134 N -1.69 3.11 0.10 -0.62 -1.94 -0.13 -1.69 119.30 116.44 1ofn s MET 134 Ca 0.08 -0.57 0.10 0.00 -1.71 0.00 0.00 55.69 53.59 1ofn s MET 134 Cb -0.10 -2.68 -0.04 0.00 2.01 0.00 0.00 34.83 34.02 1ofn s MET 134 CO 0.04 0.47 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.75 1ofn s LEU 135 N -0.28 2.28 0.03 -0.03 1.43 -0.23 -1.21 118.68 120.68 1ofn s LEU 135 Ca 0.04 -0.69 0.28 0.00 -1.03 0.00 0.00 54.13 52.72 1ofn s LEU 135 Cb -0.13 -1.12 1.07 0.00 0.03 0.00 0.00 46.19 46.04 1ofn s LEU 135 CO 0.03 0.16 1.83 -1.54 0.23 0.00 0.00 176.35 177.05 1ofn n SER 136 N 1.15 0.18 -3.66 2.29 3.41 -0.58 -1.06 113.62 115.35 1ofn n SER 136 Ca -0.18 0.41 -0.15 0.00 -0.26 0.00 0.00 58.87 58.68 1ofn n SER 136 Cb 0.53 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 1ofn n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ofn s ARG 137 N -3.02 0.81 0.44 4.33 1.70 -1.26 -4.42 118.95 117.53 1ofn s ARG 137 Ca 0.13 0.06 -0.24 0.00 -0.47 0.00 0.00 55.73 55.21 1ofn s ARG 137 Cb 0.18 0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 34.86 1ofn s ARG 137 CO 0.56 -0.23 1.21 -1.12 -1.08 0.00 0.00 175.30 174.64 1ofn s SER 138 N -1.14 6.22 0.11 -2.89 0.01 -1.26 -4.68 113.70 110.06 1ofn s SER 138 Ca -0.11 2.41 -0.31 0.00 1.31 0.00 0.00 55.95 59.25 1ofn s SER 138 Cb -0.03 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.48 1ofn s SER 138 CO 0.06 -0.89 1.84 -0.47 0.41 0.00 0.00 173.24 174.19 1ofn s TYR 139 N -1.44 2.04 -0.20 2.43 5.04 -1.26 -4.98 117.35 118.98 1ofn s TYR 139 Ca 0.61 -0.07 0.01 0.00 -2.44 0.00 0.00 57.07 55.19 1ofn s TYR 139 Cb -0.32 -4.18 0.04 0.00 0.35 0.00 0.00 41.96 37.85 1ofn s TYR 139 CO 0.39 -4.92 -0.12 0.08 -1.34 0.00 0.00 175.55 169.63 1ofn s VAL 140 N 2.96 1.79 0.26 3.14 1.01 -1.26 -5.03 120.40 123.28 1ofn s VAL 140 Ca 0.82 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1ofn s VAL 140 Cb -0.45 -1.81 0.25 0.00 0.00 0.00 0.00 36.38 34.37 1ofn s VAL 140 CO 0.37 0.23 1.85 0.00 0.00 0.00 0.00 175.10 177.54 1ofn h THR 141 N 6.35 1.00 0.00 3.92 1.03 -1.94 0.45 112.91 123.72 1ofn h THR 141 Ca -0.30 -0.35 -0.01 0.00 -0.01 0.00 0.00 66.41 65.74 1ofn h THR 141 Cb 1.10 -0.10 -0.00 0.00 -1.07 0.00 0.00 68.15 68.07 1ofn h THR 141 CO 0.51 0.19 -0.04 1.56 -0.01 0.00 0.00 175.52 177.72 1ofn h GLN 142 N 1.02 0.00 -0.03 0.00 7.50 -2.02 -2.43 115.11 119.14 1ofn h GLN 142 Ca 0.43 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.58 1ofn h GLN 142 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.82 1ofn h GLN 142 CO -0.21 0.04 -0.03 -0.25 -1.50 0.00 0.00 178.83 176.88 1ofn n ASP 143 N -3.39 2.80 -4.52 1.46 8.00 0.12 -4.91 116.55 116.12 1ofn n ASP 143 Ca -0.02 -1.90 -0.38 0.00 0.71 0.00 0.00 54.79 53.20 1ofn n ASP 143 Cb 0.17 0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.89 3.65 0.35 -1.24 0.41 -0.92 -0.50 118.70 118.56 1ofn s GLU 144 Ca 0.25 -0.52 0.09 0.00 -0.41 0.00 0.00 54.97 54.39 1ofn s GLU 144 Cb 0.19 -3.61 -0.06 0.00 -1.78 0.00 0.00 34.13 28.86 1ofn s GLU 144 CO 0.30 -0.30 -0.00 -0.51 -0.49 0.00 0.00 175.26 174.25 1ofn s LEU 145 N 1.69 2.93 0.07 1.80 1.43 0.09 -4.99 118.68 121.71 1ofn s LEU 145 Ca 0.06 -1.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.13 1ofn s LEU 145 Cb -0.16 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1ofn s LEU 145 CO 0.08 -0.25 -0.07 0.00 0.23 0.00 0.00 176.35 176.35 1ofn s ALA 146 N -2.55 0.81 0.15 4.21 0.00 -1.26 -1.86 121.76 121.27 1ofn s ALA 146 Ca 0.34 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.29 1ofn s ALA 146 Cb 0.01 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1ofn s ALA 146 CO 0.19 -0.13 -0.15 -0.51 0.00 0.00 0.00 175.76 175.15 1ofn s LEU 147 N -2.37 2.45 -0.12 0.00 1.43 0.09 -4.30 118.68 115.86 1ofn s LEU 147 Ca 0.02 -0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 51.95 1ofn s LEU 147 Cb -0.02 -0.65 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 1ofn s LEU 147 CO -0.02 -0.12 1.85 -0.55 0.23 0.00 0.00 176.35 177.74 1ofn s SER 148 N -2.70 6.24 0.39 2.29 0.15 0.18 -0.89 113.70 119.35 1ofn s SER 148 Ca 0.14 2.06 0.25 0.00 0.70 0.00 0.00 55.95 59.11 1ofn s SER 148 Cb -0.04 -2.53 0.65 0.00 -1.71 0.00 0.00 66.02 62.39 1ofn s SER 148 CO 0.05 -1.31 1.71 0.00 1.20 0.00 0.00 173.24 174.89 1ofn h ALA 149 N 11.48 1.00 -0.01 5.45 0.00 -1.83 -3.26 119.26 132.09 1ofn h ALA 149 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ofn h ALA 149 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ofn h ALA 149 CO 0.97 0.00 -0.45 1.28 0.00 0.00 0.00 179.25 181.05 1ofn n LEU 150 N -2.85 1.04 -4.26 0.00 4.77 -1.26 -4.58 117.00 109.86 1ofn n LEU 150 Ca 0.04 -0.30 -0.60 0.00 -0.03 0.00 0.00 56.01 55.12 1ofn n LEU 150 Cb 0.45 -0.12 -0.12 0.00 -2.33 0.00 0.00 43.42 41.30 1ofn n LEU 150 CO 0.31 0.21 1.73 -0.67 -1.33 0.00 0.00 177.39 177.65 1ofn n ASP 151 N -0.89 0.81 0.29 -1.43 4.64 -1.23 -4.81 116.55 113.94 1ofn n ASP 151 Ca 0.09 0.67 0.14 0.00 -1.38 0.00 0.00 54.79 54.31 1ofn n ASP 151 Cb 0.36 -0.92 0.89 0.00 -1.04 0.00 0.00 41.12 40.41 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 9.16 0.00 -0.93 -0.67 0.11 -1.94 -1.23 132.00 136.50 1ofn h PRO 152 Ca -0.11 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.03 1ofn h PRO 152 Cb 1.42 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.47 1ofn h PRO 152 CO 1.09 0.01 0.61 0.00 -0.21 0.00 0.00 178.00 179.49 1ofn h ALA 153 N 1.99 1.21 -0.01 -0.75 0.00 -2.00 -2.91 119.26 116.81 1ofn h ALA 153 Ca -0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1ofn h ALA 153 Cb 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1ofn h ALA 153 CO 0.00 0.50 -0.90 -0.07 0.00 0.00 0.00 179.25 178.79 1ofn h LEU 154 N 1.20 0.42 -1.05 0.00 3.38 -1.59 -3.48 115.31 114.19 1ofn h LEU 154 Ca 0.36 -0.33 -0.38 0.00 0.09 0.00 0.00 57.88 57.62 1ofn h LEU 154 Cb -0.04 -0.13 0.15 0.00 0.09 0.00 0.00 40.66 40.73 1ofn h LEU 154 CO -0.11 1.13 -0.70 0.61 0.09 0.00 0.00 178.44 179.46 1ofn n GLY 155 N 0.88 -0.50 3.74 0.83 0.00 -1.10 -4.96 105.19 104.08 1ofn n GLY 155 Ca -0.05 0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -7.08 3.55 -1.47 0.99 1.43 -1.26 -4.86 118.68 109.97 1ofn s LEU 156 Ca 0.45 2.42 -0.11 0.00 -1.03 0.00 0.00 54.13 55.86 1ofn s LEU 156 Cb -0.20 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 41.45 1ofn s LEU 156 CO 0.73 -1.86 2.42 -0.81 0.23 0.00 0.00 176.35 177.06 1ofn n PRO 157 N -1.97 3.45 -0.07 1.29 -0.04 -1.26 -4.49 135.00 131.90 1ofn n PRO 157 Ca 0.14 -2.73 0.03 0.00 -0.04 0.00 0.00 63.50 60.90 1ofn n PRO 157 Cb 0.49 -3.00 0.07 0.00 -0.04 0.00 0.00 33.50 31.02 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 3.94 0.71 -3.72 0.52 -6.64 -1.26 -4.86 119.36 108.06 1ofn n ILE 158 Ca 0.60 -0.86 -0.37 0.00 -1.77 0.00 0.00 62.75 60.35 1ofn n ILE 158 Cb 0.32 0.68 -0.12 0.00 -1.44 0.00 0.00 39.64 39.08 1ofn n ILE 158 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1ofn s ASP 159 N -0.86 5.32 -0.11 7.28 -1.08 -1.26 -4.88 116.67 121.07 1ofn s ASP 159 Ca 0.11 -0.23 0.15 0.00 -0.52 0.00 0.00 52.55 52.07 1ofn s ASP 159 Cb 0.06 -1.96 0.25 0.00 -1.46 0.00 0.00 42.92 39.82 1ofn s ASP 159 CO 0.09 -0.06 1.13 2.30 0.52 0.00 0.00 175.17 179.15 1ofn n ILE 160 N 4.95 1.57 -0.12 4.11 -5.35 -1.26 -4.95 119.36 118.32 1ofn n ILE 160 Ca -0.16 -1.95 0.00 0.00 -0.27 0.00 0.00 62.75 60.37 1ofn n ILE 160 Cb 0.51 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 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 -1.15 0.94 3.16 3.28 0.00 -1.26 -5.07 105.19 105.08 1ofn n GLY 161 Ca 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 0.12 -0.05 1.61 0.11 -1.26 -5.10 120.40 113.83 1ofn s VAL 162 Ca 0.00 -1.83 -0.30 0.00 -2.93 0.00 0.00 61.98 56.92 1ofn s VAL 162 Cb 0.00 -1.93 -0.05 0.00 -1.53 0.00 0.00 36.38 32.87 1ofn s VAL 162 CO 0.00 -0.53 1.45 -0.70 -3.33 0.00 0.00 175.10 171.99 1ofn s GLU 163 N -4.02 4.24 0.36 1.54 2.56 -1.26 -4.94 118.70 117.19 1ofn s GLU 163 Ca 0.20 1.98 -0.27 0.00 0.00 0.00 0.00 54.97 56.88 1ofn s GLU 163 Cb 0.07 -3.73 -0.12 0.00 2.00 0.00 0.00 34.13 32.36 1ofn s GLU 163 CO -0.00 -0.68 1.33 -2.30 -0.56 0.00 0.00 175.26 173.04 1ofn n PRO 164 N 6.11 2.20 -3.61 4.30 -0.02 -1.26 -4.93 135.00 137.79 1ofn n PRO 164 Ca 0.14 0.77 -0.40 0.00 -2.02 0.00 0.00 63.50 62.00 1ofn n PRO 164 Cb 0.44 -2.41 -0.11 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.12 4.51 -0.01 4.25 1.01 -0.61 -4.97 121.20 124.26 1ofn s ILE 165 Ca 0.56 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1ofn s ILE 165 Cb -0.54 -3.51 -0.00 0.00 0.01 0.00 0.00 42.46 38.42 1ofn s ILE 165 CO 0.62 -0.22 -0.08 -0.69 0.00 0.00 0.00 174.94 174.57 1ofn s VAL 166 N 1.54 0.64 0.76 2.92 1.01 -1.26 -1.36 120.40 124.64 1ofn s VAL 166 Ca 0.02 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1ofn s VAL 166 Cb -0.19 -0.55 0.05 0.00 0.00 0.00 0.00 36.38 35.70 1ofn s VAL 166 CO 0.06 0.19 1.11 -0.94 0.00 0.00 0.00 175.10 175.52 1ofn s SER 167 N -0.08 4.47 0.33 3.32 1.04 -1.26 -4.82 113.70 116.70 1ofn s SER 167 Ca 0.01 1.92 0.03 0.00 0.48 0.00 0.00 55.95 58.39 1ofn s SER 167 Cb -0.04 -2.53 0.57 0.00 0.10 0.00 0.00 66.02 64.11 1ofn s SER 167 CO -0.00 -2.06 1.88 -2.24 0.98 0.00 0.00 173.24 171.80 1ofn h ASP 168 N -0.91 0.57 -0.62 7.02 3.04 -2.00 0.12 116.42 123.63 1ofn h ASP 168 Ca -0.44 -0.09 -0.02 0.00 -3.24 0.00 0.00 57.03 53.23 1ofn h ASP 168 Cb 1.24 -0.15 -0.03 0.00 -1.04 0.00 0.00 39.33 39.35 1ofn h ASP 168 CO 0.51 0.59 0.29 -0.09 -2.04 0.00 0.00 179.24 178.51 1ofn h ARG 169 N 0.59 0.90 -0.12 4.15 2.43 -1.99 -1.37 114.38 118.98 1ofn h ARG 169 Ca 0.13 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1ofn h ARG 169 Cb 0.28 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1ofn h ARG 169 CO 0.00 0.72 -0.65 -0.44 -1.51 0.00 0.00 179.97 178.09 1ofn h ASP 170 N 0.85 0.52 -0.53 -3.80 3.32 -1.77 -3.21 116.42 111.81 1ofn h ASP 170 Ca 0.21 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 1ofn h ASP 170 Cb 0.13 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1ofn h ASP 170 CO -0.03 1.04 0.11 -0.09 -1.72 0.00 0.00 179.24 178.55 1ofn h ARG 171 N 0.33 0.90 -0.01 3.56 2.43 -0.37 -2.82 114.38 118.40 1ofn h ARG 171 Ca -0.02 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1ofn h ARG 171 Cb 1.21 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1ofn h ARG 171 CO 0.12 0.83 -0.05 1.33 -1.51 0.00 0.00 179.97 180.68 1ofn n VAL 172 N -4.25 0.00 -1.78 0.20 0.24 -0.57 -4.91 118.33 107.25 1ofn n VAL 172 Ca 0.04 -0.13 -0.40 0.00 -2.04 0.00 0.00 64.34 61.81 1ofn n VAL 172 Cb 0.25 0.08 0.01 0.00 -1.47 0.00 0.00 33.84 32.72 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 -2.16 3.34 0.81 2.33 0.00 -1.07 -4.98 121.76 120.04 1ofn s ALA 173 Ca 0.37 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 53.74 1ofn s ALA 173 Cb 0.21 -3.60 0.08 0.00 0.00 0.00 0.00 23.12 19.81 1ofn s ALA 173 CO 0.39 -1.18 1.09 0.96 0.00 0.00 0.00 175.76 177.03 1ofn s ILE 174 N -1.17 3.11 0.67 0.00 -4.36 -1.26 -3.79 121.20 114.39 1ofn s ILE 174 Ca 0.59 0.36 -0.11 0.00 -0.26 0.00 0.00 60.65 61.23 1ofn s ILE 174 Cb -0.45 -2.87 -0.01 0.00 1.25 0.00 0.00 42.46 40.38 1ofn s ILE 174 CO 0.59 -0.47 1.06 0.42 0.24 0.00 0.00 174.94 176.78 1ofn s THR 175 N -2.93 4.14 0.20 8.37 -4.23 -1.26 -0.65 115.64 119.28 1ofn s THR 175 Ca 0.62 0.69 -0.14 0.00 -1.18 0.00 0.00 61.69 61.68 1ofn s THR 175 Cb -0.17 -3.64 0.20 0.00 1.34 0.00 0.00 72.50 70.23 1ofn s THR 175 CO 0.56 -0.91 1.64 0.25 -0.54 0.00 0.00 174.62 175.62 1ofn h LEU 176 N -0.52 -0.54 -0.92 4.79 5.85 -1.95 -0.03 115.31 122.00 1ofn h LEU 176 Ca -0.44 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 1ofn h LEU 176 Cb 1.22 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 1ofn h LEU 176 CO 0.62 -0.19 0.11 0.00 -0.34 0.00 0.00 178.44 178.64 1ofn h ALA 177 N 1.58 1.11 -0.47 1.25 0.00 -1.99 0.06 119.26 120.80 1ofn h ALA 177 Ca 0.28 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1ofn h ALA 177 Cb 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ofn h ALA 177 CO -0.59 0.59 -0.16 1.49 0.00 0.00 0.00 179.25 180.57 1ofn h GLU 178 N 0.87 0.94 -0.80 0.00 4.57 -1.75 -1.75 114.58 116.67 1ofn h GLU 178 Ca 0.18 -0.38 -0.04 0.00 -1.18 0.00 0.00 59.36 57.94 1ofn h GLU 178 Cb 0.35 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 1ofn h GLU 178 CO 0.00 1.05 0.36 0.00 -1.18 0.00 0.00 179.01 179.24 1ofn h ALA 179 N 0.87 1.03 -0.35 2.92 0.00 -0.68 -1.91 119.26 121.14 1ofn h ALA 179 Ca 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ofn h ALA 179 Cb 0.73 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ofn h ALA 179 CO 0.06 0.62 0.23 0.37 0.00 0.00 0.00 179.25 180.52 1ofn h GLN 180 N 1.14 0.45 -0.52 0.00 4.15 -0.75 -1.45 115.11 118.13 1ofn h GLN 180 Ca 0.27 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 1ofn h GLN 180 Cb 0.16 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 1ofn h GLN 180 CO -0.03 0.30 0.20 -0.09 -1.93 0.00 0.00 178.83 177.28 1ofn h ARG 181 N 0.46 0.74 0.00 1.69 2.43 -0.94 -1.87 114.38 116.90 1ofn h ARG 181 Ca 0.13 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ofn h ARG 181 Cb -0.04 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1ofn h ARG 181 CO -0.04 0.61 0.00 1.04 -1.51 0.00 0.00 179.97 180.07 1ofn n GLN 182 N -4.34 0.82 -1.62 0.20 6.02 -0.75 -4.90 117.38 112.80 1ofn n GLN 182 Ca 0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.97 1ofn n GLN 182 Cb 0.16 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 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 0.96 0.51 0.16 1.08 0.00 -0.70 -4.95 105.19 102.24 1ofn n GLY 183 Ca 0.21 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.79 1.04 -4.86 0.99 4.77 -0.59 -4.94 117.00 112.62 1ofn n LEU 184 Ca -0.07 -0.33 -0.33 0.00 -0.03 0.00 0.00 56.01 55.26 1ofn n LEU 184 Cb 0.37 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1ofn n LEU 184 CO 0.09 0.22 0.28 -0.76 -1.33 0.00 0.00 177.39 175.89 1ofn s LEU 185 N -2.77 4.17 0.60 2.23 1.43 -1.25 -4.90 118.68 118.19 1ofn s LEU 185 Ca 0.15 1.05 -0.20 0.00 -1.03 0.00 0.00 54.13 54.11 1ofn s LEU 185 Cb 0.18 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1ofn s LEU 185 CO 0.67 -0.08 1.32 -2.84 0.23 0.00 0.00 176.35 175.64 1ofn s PRO 186 N -2.72 2.86 0.12 1.29 0.02 -1.26 -4.81 135.00 130.51 1ofn s PRO 186 Ca 0.48 2.12 -0.21 0.00 0.02 0.00 0.00 61.00 63.41 1ofn s PRO 186 Cb -0.12 -2.04 -0.07 0.00 0.02 0.00 0.00 34.50 32.29 1ofn s PRO 186 CO 0.20 -1.37 0.65 0.34 -0.33 0.00 0.00 177.00 176.49 1ofn s ASP 187 N -1.21 7.16 0.08 2.53 2.15 -1.26 -0.88 116.67 125.23 1ofn s ASP 187 Ca 0.77 1.40 -0.21 0.00 0.43 0.00 0.00 52.55 54.94 1ofn s ASP 187 Cb -0.38 -2.41 -0.11 0.00 -0.30 0.00 0.00 42.92 39.72 1ofn s ASP 187 CO 0.43 0.22 1.60 0.22 -0.17 0.00 0.00 175.17 177.46 1ofn h TYR 188 N 4.29 0.23 -0.32 -5.34 3.20 -1.12 -0.16 116.97 117.74 1ofn h TYR 188 Ca -0.49 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.37 1ofn h TYR 188 Cb 1.21 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 1ofn h TYR 188 CO 0.66 0.33 0.21 1.15 -1.64 0.00 0.00 178.16 178.87 1ofn h THR 189 N 0.06 1.09 -0.49 1.81 2.02 -1.93 -0.56 112.91 114.90 1ofn h THR 189 Ca 0.05 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1ofn h THR 189 Cb 0.20 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1ofn h THR 189 CO -0.00 0.09 0.31 0.74 0.37 0.00 0.00 175.52 177.03 1ofn h THR 190 N 0.43 1.13 -0.58 3.16 2.02 -1.94 -1.26 112.91 115.88 1ofn h THR 190 Ca 0.12 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1ofn h THR 190 Cb -0.04 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1ofn h THR 190 CO -0.02 0.13 0.34 0.28 0.37 0.00 0.00 175.52 176.62 1ofn h SER 191 N 0.66 0.70 -0.18 4.18 0.02 -0.66 -1.99 113.55 116.29 1ofn h SER 191 Ca 0.18 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1ofn h SER 191 Cb -0.05 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1ofn h SER 191 CO -0.04 0.56 -0.15 1.56 -1.14 0.00 0.00 176.83 177.63 1ofn h GLN 192 N 0.79 0.57 -0.31 3.45 1.08 -0.78 -0.30 115.11 119.60 1ofn h GLN 192 Ca 0.21 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1ofn h GLN 192 Cb -0.01 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1ofn h GLN 192 CO -0.04 0.70 0.11 0.93 -0.95 0.00 0.00 178.83 179.58 1ofn h GLU 193 N 0.52 0.47 -0.14 1.46 5.08 -0.84 0.47 114.58 121.60 1ofn h GLU 193 Ca 0.09 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ofn h GLU 193 Cb 0.56 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ofn h GLU 193 CO 0.04 0.50 0.04 0.82 -1.00 0.00 0.00 179.01 179.41 1ofn h ILE 194 N 0.34 1.19 -0.73 3.13 2.04 -1.15 -2.69 117.51 119.64 1ofn h ILE 194 Ca 0.10 -0.58 0.07 0.00 1.00 0.00 0.00 64.86 65.46 1ofn h ILE 194 Cb 0.22 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1ofn h ILE 194 CO -0.01 0.17 0.40 -0.08 0.00 0.00 0.00 178.15 178.64 1ofn h GLU 195 N 0.05 0.69 -0.65 2.37 4.81 -0.88 0.09 114.58 121.06 1ofn h GLU 195 Ca 0.05 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1ofn h GLU 195 Cb 0.23 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1ofn h GLU 195 CO -0.00 0.46 0.31 0.00 -0.73 0.00 0.00 179.01 179.05 1ofn h ARG 196 N 0.71 0.92 -0.23 1.92 3.08 -0.78 -1.31 114.38 118.69 1ofn h ARG 196 Ca 0.34 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 1ofn h ARG 196 Cb 0.26 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1ofn h ARG 196 CO -0.22 0.71 -0.29 0.00 -1.07 0.00 0.00 179.97 179.11 1ofn h ARG 197 N 0.92 0.61 -0.28 0.04 3.08 -1.00 -2.31 114.38 115.43 1ofn h ARG 197 Ca 0.23 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 1ofn h ARG 197 Cb 0.09 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1ofn h ARG 197 CO -0.03 0.95 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.72 1ofn h LEU 198 N 0.30 0.41 -3.28 3.04 3.38 -0.68 -3.04 115.31 115.44 1ofn h LEU 198 Ca 0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1ofn h LEU 198 Cb 0.86 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1ofn h LEU 198 CO 0.07 0.49 -0.01 0.35 0.09 0.00 0.00 178.44 179.44 1ofn n THR 199 N -4.29 2.34 -2.12 0.22 -2.24 -0.52 -4.10 114.28 103.57 1ofn n THR 199 Ca 0.01 -2.12 -0.37 0.00 -2.27 0.00 0.00 64.05 59.30 1ofn n THR 199 Cb 0.24 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.95 2.79 -0.07 6.98 0.00 -0.87 -3.37 121.76 124.27 1ofn s ALA 200 Ca 0.42 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 1ofn s ALA 200 Cb 0.36 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1ofn s ALA 200 CO 0.06 -0.93 1.32 0.08 0.00 0.00 0.00 175.76 176.30 1ofn s VAL 201 N -1.56 4.02 0.50 0.00 1.01 -1.26 -4.67 120.40 118.45 1ofn s VAL 201 Ca 0.70 1.33 -0.21 0.00 0.00 0.00 0.00 61.98 63.80 1ofn s VAL 201 Cb -0.30 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1ofn s VAL 201 CO 0.35 -0.04 1.16 -2.16 0.00 0.00 0.00 175.10 174.40 1ofn s PRO 202 N 2.78 3.53 0.00 2.72 0.04 -1.26 -5.12 135.00 137.69 1ofn s PRO 202 Ca 0.60 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1ofn s PRO 202 Cb -0.27 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1ofn s PRO 202 CO 0.22 -0.73 0.00 1.55 0.04 0.00 0.00 177.00 178.08