#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfi n ARG 7 N 0.00 3.16 0.02 -0.67 1.74 -1.26 -3.63 116.66 116.02 3dfi n ARG 7 Ca 0.00 -2.07 -0.10 0.00 -0.77 0.00 0.00 57.85 54.91 3dfi n ARG 7 Cb 0.00 -1.80 -0.03 0.00 -1.02 0.00 0.00 32.46 29.60 3dfi n ARG 7 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3dfi h THR 8 N 2.87 0.45 -3.24 0.55 2.02 -1.94 -3.34 112.91 110.28 3dfi h THR 8 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.61 3dfi h THR 8 Cb 1.23 0.45 -0.40 0.00 -1.74 0.00 0.00 68.15 67.69 3dfi h THR 8 CO 0.22 0.00 -0.76 -0.13 0.37 0.00 0.00 175.52 175.22 3dfi s ARG 9 N -6.09 0.80 -0.19 6.66 0.52 -1.26 0.17 118.95 119.57 3dfi s ARG 9 Ca -0.15 -0.91 -0.13 0.00 -0.52 0.00 0.00 55.73 54.02 3dfi s ARG 9 Cb 0.10 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.44 3dfi s ARG 9 CO 0.67 -0.86 0.25 0.42 0.02 0.00 0.00 175.30 175.80 3dfi s ILE 10 N 1.65 5.32 -0.32 1.52 1.01 0.11 0.02 121.20 130.51 3dfi s ILE 10 Ca 0.05 0.44 -0.05 0.00 0.00 0.00 0.00 60.65 61.10 3dfi s ILE 10 Cb -0.17 -3.59 0.04 0.00 0.01 0.00 0.00 42.46 38.74 3dfi s ILE 10 CO -0.19 0.37 0.07 -0.22 0.00 0.00 0.00 174.94 174.97 3dfi s LEU 11 N 0.65 4.13 -0.16 2.97 2.96 -0.27 -1.04 118.68 127.92 3dfi s LEU 11 Ca 0.14 -1.13 -0.12 0.00 -0.22 0.00 0.00 54.13 52.80 3dfi s LEU 11 Cb -0.13 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 3dfi s LEU 11 CO 0.03 -0.29 0.24 0.00 -1.32 0.00 0.00 176.35 175.01 3dfi s ALA 12 N 1.37 3.66 -0.44 5.97 0.00 -0.19 -1.23 121.76 130.90 3dfi s ALA 12 Ca -0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 3dfi s ALA 12 Cb -0.19 -2.28 0.08 0.00 0.00 0.00 0.00 23.12 20.73 3dfi s ALA 12 CO 0.01 0.19 0.31 0.42 0.00 0.00 0.00 175.76 176.70 3dfi s ILE 13 N 0.17 4.47 -0.13 0.00 -1.09 0.10 -0.73 121.20 124.00 3dfi s ILE 13 Ca 0.14 -1.38 -0.15 0.00 -2.23 0.00 0.00 60.65 57.03 3dfi s ILE 13 Cb -0.12 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 3dfi s ILE 13 CO 0.03 -0.57 0.35 -0.55 -1.23 0.00 0.00 174.94 172.97 3dfi s SER 14 N 2.35 6.54 0.09 3.58 0.15 0.20 -4.29 113.70 122.31 3dfi s SER 14 Ca 0.04 0.64 -0.27 0.00 0.70 0.00 0.00 55.95 57.05 3dfi s SER 14 Cb -0.24 -2.21 -0.15 0.00 -1.71 0.00 0.00 66.02 61.71 3dfi s SER 14 CO 0.03 0.11 1.69 -0.65 1.20 0.00 0.00 173.24 175.62 3dfi h PRO 15 N 6.42 -0.34 -5.57 5.44 0.11 -1.88 -1.03 132.00 135.14 3dfi h PRO 15 Ca -0.43 0.02 -0.58 0.00 0.11 0.00 0.00 66.00 65.13 3dfi h PRO 15 Cb 1.18 0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 3dfi h PRO 15 CO 0.73 -0.23 -0.61 -1.01 -0.21 0.00 0.00 178.00 176.67 3dfi s HIS 16 N -6.13 2.33 -0.95 0.65 3.76 -1.26 -0.95 115.29 112.75 3dfi s HIS 16 Ca -0.15 -0.73 -0.24 0.00 -0.15 0.00 0.00 55.06 53.79 3dfi s HIS 16 Cb 0.05 -1.58 0.04 0.00 1.11 0.00 0.00 32.58 32.21 3dfi s HIS 16 CO 0.65 0.34 1.46 -0.51 -0.85 0.00 0.00 174.74 175.83 3dfi s LEU 17 N -3.63 3.40 0.00 0.89 1.43 -1.26 -2.66 118.68 116.86 3dfi s LEU 17 Ca 0.35 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 3dfi s LEU 17 Cb 0.09 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3dfi s LEU 17 CO 0.17 -1.69 0.00 -0.90 0.23 0.00 0.00 176.35 174.16 3dfi n ASP 18 N 9.46 0.00 0.01 2.29 5.75 -1.26 -4.94 116.55 127.86 3dfi n ASP 18 Ca 0.27 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.94 3dfi n ASP 18 Cb 0.50 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.54 3dfi n ASP 18 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3dfi h ASP 19 N 1.07 0.09 -0.30 -1.12 3.32 -1.88 -1.58 116.42 116.02 3dfi h ASP 19 Ca 0.00 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.04 3dfi h ASP 19 Cb 0.00 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3dfi h ASP 19 CO 0.00 0.10 0.13 0.00 -1.72 0.00 0.00 179.24 177.75 3dfi h ALA 20 N 1.00 0.35 -0.63 3.45 0.00 -1.93 -1.54 119.26 119.96 3dfi h ALA 20 Ca 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3dfi h ALA 20 Cb 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3dfi h ALA 20 CO -0.01 -0.26 0.23 0.28 0.00 0.00 0.00 179.25 179.50 3dfi h VAL 21 N 0.28 1.24 -0.40 0.00 2.07 -1.88 0.26 116.25 117.82 3dfi h VAL 21 Ca 0.13 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 3dfi h VAL 21 Cb 0.06 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3dfi h VAL 21 CO -0.10 0.30 -0.01 -0.07 0.02 0.00 0.00 177.57 177.71 3dfi h LEU 22 N 0.89 0.61 0.01 2.57 3.38 -1.08 -1.70 115.31 120.00 3dfi h LEU 22 Ca 0.21 -0.13 -0.40 0.00 0.09 0.00 0.00 57.88 57.65 3dfi h LEU 22 Cb 0.23 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3dfi h LEU 22 CO -0.01 0.69 -2.41 -1.20 0.09 0.00 0.00 178.44 175.60 3dfi n SER 23 N -4.24 1.99 -0.03 -0.43 7.64 -0.60 -4.64 113.62 113.31 3dfi n SER 23 Ca 0.02 -0.02 0.02 0.00 1.01 0.00 0.00 58.87 59.90 3dfi n SER 23 Cb 0.27 -0.54 0.03 0.00 -1.01 0.00 0.00 64.21 62.97 3dfi n SER 23 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3dfi n VAL 24 N -3.46 1.03 -0.24 0.44 3.14 0.89 -4.83 118.33 115.30 3dfi n VAL 24 Ca -0.45 -1.11 0.02 0.00 -2.96 0.00 0.00 64.34 59.84 3dfi n VAL 24 Cb 0.98 0.40 0.14 0.00 -1.06 0.00 0.00 33.84 34.30 3dfi n VAL 24 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3dfi h GLY 25 N 0.00 1.05 1.09 7.55 0.00 -1.00 0.34 103.07 112.10 3dfi h GLY 25 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 3dfi h GLY 25 CO 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 176.54 176.54 3dfi h ALA 26 N 1.45 0.82 -0.29 3.60 0.00 -1.80 -0.47 119.26 122.57 3dfi h ALA 26 Ca 0.36 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3dfi h ALA 26 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3dfi h ALA 26 CO -0.30 0.68 -0.20 0.77 0.00 0.00 0.00 179.25 180.20 3dfi h SER 27 N 0.98 0.52 -0.11 0.00 0.02 -1.69 0.14 113.55 113.41 3dfi h SER 27 Ca 0.17 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3dfi h SER 27 Cb 0.58 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 3dfi h SER 27 CO 0.03 0.73 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.36 3dfi h LEU 28 N 0.47 0.21 -0.61 5.07 3.38 -0.80 0.38 115.31 123.41 3dfi h LEU 28 Ca 0.08 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.76 3dfi h LEU 28 Cb 0.61 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 3dfi h LEU 28 CO 0.04 0.53 0.29 0.00 0.09 0.00 0.00 178.44 179.39 3dfi h ALA 29 N 0.69 0.81 -0.38 1.53 0.00 -0.93 -1.48 119.26 119.50 3dfi h ALA 29 Ca 0.03 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3dfi h ALA 29 Cb 0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3dfi h ALA 29 CO 0.01 -0.09 -0.11 0.37 0.00 0.00 0.00 179.25 179.43 3dfi h GLN 30 N 0.52 0.66 -0.56 0.00 5.75 -0.59 -0.18 115.11 120.71 3dfi h GLN 30 Ca 0.29 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 3dfi h GLN 30 Cb 0.27 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 3dfi h GLN 30 CO -0.23 0.75 0.20 0.00 -2.65 0.00 0.00 178.83 176.90 3dfi h ALA 31 N 1.28 0.73 -0.46 3.38 0.00 -0.40 -0.49 119.26 123.30 3dfi h ALA 31 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3dfi h ALA 31 Cb 0.55 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3dfi h ALA 31 CO 0.03 0.36 -0.03 1.49 0.00 0.00 0.00 179.25 181.11 3dfi h GLU 32 N 0.77 0.83 -0.22 0.00 4.22 -0.99 0.19 114.58 119.39 3dfi h GLU 32 Ca 0.18 -0.28 -0.01 0.00 0.08 0.00 0.00 59.36 59.33 3dfi h GLU 32 Cb 0.23 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3dfi h GLU 32 CO -0.01 0.90 0.09 1.96 -2.18 0.00 0.00 179.01 179.77 3dfi h GLN 33 N 0.68 0.30 -0.00 1.92 4.20 -0.93 -1.92 115.11 119.35 3dfi h GLN 33 Ca 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3dfi h GLN 33 Cb 0.55 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3dfi h GLN 33 CO 0.03 0.25 -0.05 -0.25 -0.67 0.00 0.00 178.83 178.14 3dfi n ASP 34 N -4.45 0.12 0.00 1.46 8.00 -0.20 -4.91 116.55 116.57 3dfi n ASP 34 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.42 3dfi n ASP 34 Cb 0.12 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 3dfi n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dfi n GLY 35 N 1.35 0.89 3.93 0.44 0.00 -0.72 -5.07 105.19 106.01 3dfi n GLY 35 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3dfi n GLY 35 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dfi s GLY 36 N -1.32 1.72 -0.11 -0.02 0.00 0.02 -4.99 107.32 102.62 3dfi s GLY 36 Ca 0.00 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 43.66 3dfi s GLY 36 CO 0.00 -0.47 -0.21 1.25 0.00 0.00 0.00 173.10 173.67 3dfi s LYS 37 N -5.61 3.13 -0.07 2.90 2.20 0.13 -4.34 119.74 118.08 3dfi s LYS 37 Ca 0.68 -0.83 0.05 0.00 -0.36 0.00 0.00 55.97 55.51 3dfi s LYS 37 Cb -0.07 -2.40 -0.01 0.00 -1.51 0.00 0.00 37.83 33.85 3dfi s LYS 37 CO 0.49 0.17 -0.23 0.08 -0.36 0.00 0.00 175.35 175.51 3dfi s VAL 38 N 0.39 1.91 -0.06 4.02 1.01 -1.26 0.09 120.40 126.50 3dfi s VAL 38 Ca -0.16 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 60.88 3dfi s VAL 38 Cb -0.17 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.59 3dfi s VAL 38 CO 0.07 0.53 -0.12 -0.89 0.00 0.00 0.00 175.10 174.69 3dfi s THR 39 N 0.04 1.12 -0.22 3.92 2.01 -0.20 -0.51 115.64 121.80 3dfi s THR 39 Ca -0.08 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 3dfi s THR 39 Cb -0.15 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 3dfi s THR 39 CO 0.05 0.35 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.62 3dfi s VAL 40 N 0.54 3.64 -0.22 3.82 1.01 -0.15 -1.02 120.40 128.02 3dfi s VAL 40 Ca -0.12 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 3dfi s VAL 40 Cb -0.14 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3dfi s VAL 40 CO 0.03 0.40 0.06 0.12 0.00 0.00 0.00 175.10 175.72 3dfi s PHE 41 N 1.46 3.14 -0.20 5.22 2.19 0.09 -1.15 117.98 128.73 3dfi s PHE 41 Ca 0.05 -0.20 -0.07 0.00 0.33 0.00 0.00 56.93 57.05 3dfi s PHE 41 Cb -0.14 -2.16 -0.03 0.00 -1.31 0.00 0.00 43.02 39.37 3dfi s PHE 41 CO -0.01 -0.13 0.04 0.99 1.83 0.00 0.00 175.22 177.95 3dfi s THR 42 N 1.04 4.46 -0.04 0.12 2.01 -0.57 -0.63 115.64 122.02 3dfi s THR 42 Ca 0.04 -0.14 -0.22 0.00 0.31 0.00 0.00 61.69 61.67 3dfi s THR 42 Cb -0.14 -3.02 -0.17 0.00 0.01 0.00 0.00 72.50 69.18 3dfi s THR 42 CO 0.03 0.43 0.96 0.58 -0.69 0.00 0.00 174.62 175.93 3dfi h VAL 43 N 5.14 0.92 -1.68 3.82 2.07 -1.19 0.26 116.25 125.58 3dfi h VAL 43 Ca -0.36 -1.09 -0.77 0.00 0.82 0.00 0.00 66.70 65.30 3dfi h VAL 43 Cb 1.18 1.51 -0.18 0.00 -1.52 0.00 0.00 31.29 32.28 3dfi h VAL 43 CO 0.65 0.23 1.81 0.49 0.02 0.00 0.00 177.57 180.76 3dfi n PHE 44 N -4.93 2.69 -0.99 1.57 3.72 -0.12 -2.51 117.46 116.89 3dfi n PHE 44 Ca -0.08 -2.73 0.09 0.00 -0.05 0.00 0.00 57.45 54.67 3dfi n PHE 44 Cb 0.27 -1.73 0.12 0.00 -0.94 0.00 0.00 39.48 37.19 3dfi n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dfi n ALA 45 N 2.61 2.22 -1.07 4.37 0.00 -1.10 -4.54 120.51 122.99 3dfi n ALA 45 Ca 0.43 -2.39 -0.31 0.00 0.00 0.00 0.00 53.44 51.18 3dfi n ALA 45 Cb 0.32 -0.34 0.13 0.00 0.00 0.00 0.00 19.45 19.56 3dfi n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dfi s GLY 46 N -2.60 1.66 0.17 0.00 0.00 -0.50 -4.69 107.32 101.36 3dfi s GLY 46 Ca 0.27 0.27 -0.22 0.00 0.00 0.00 0.00 44.72 45.04 3dfi s GLY 46 CO 0.03 0.67 0.72 -0.56 0.00 0.00 0.00 173.10 173.96 3dfi s SER 47 N -3.18 7.21 -0.26 1.64 0.01 -1.26 -4.86 113.70 113.01 3dfi s SER 47 Ca 0.63 1.50 -0.06 0.00 1.31 0.00 0.00 55.95 59.33 3dfi s SER 47 Cb -0.19 -2.45 0.13 0.00 0.21 0.00 0.00 66.02 63.72 3dfi s SER 47 CO 0.57 0.15 0.53 0.00 0.41 0.00 0.00 173.24 174.90 3dfi s ALA 48 N -1.29 -1.66 0.51 1.44 0.00 -1.26 -5.01 121.76 114.48 3dfi s ALA 48 Ca 0.37 1.78 -0.01 0.00 0.00 0.00 0.00 51.96 54.10 3dfi s ALA 48 Cb -0.20 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.24 3dfi s ALA 48 CO 0.23 -1.00 0.75 0.00 0.00 0.00 0.00 175.76 175.75 3dfi s ALA 49 N 2.75 3.67 0.68 0.00 0.00 -1.26 -4.45 121.76 123.15 3dfi s ALA 49 Ca 0.03 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 50.80 3dfi s ALA 49 Cb -0.13 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.77 3dfi s ALA 49 CO -0.17 -0.57 1.15 -2.14 0.00 0.00 0.00 175.76 174.03 3dfi s PRO 50 N -4.71 2.55 0.41 0.00 0.02 -1.26 -4.63 135.00 127.37 3dfi s PRO 50 Ca 0.52 1.57 -0.10 0.00 0.02 0.00 0.00 61.00 63.01 3dfi s PRO 50 Cb -0.10 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 3dfi s PRO 50 CO 0.40 -1.48 0.77 -1.25 -0.33 0.00 0.00 177.00 175.11 3dfi s PRO 51 N -3.95 3.76 0.41 5.54 0.04 -1.26 -5.11 135.00 134.43 3dfi s PRO 51 Ca 0.71 0.45 0.07 0.00 0.04 0.00 0.00 61.00 62.27 3dfi s PRO 51 Cb -0.25 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 3dfi s PRO 51 CO 0.42 -0.05 0.25 0.71 0.04 0.00 0.00 177.00 178.37 3dfi s TYR 52 N -2.40 2.65 0.51 0.56 2.02 -1.26 -5.13 117.35 114.30 3dfi s TYR 52 Ca 0.51 -0.54 -0.19 0.00 -0.37 0.00 0.00 57.07 56.48 3dfi s TYR 52 Cb -0.10 -2.02 -0.07 0.00 -0.40 0.00 0.00 41.96 39.37 3dfi s TYR 52 CO 0.32 0.09 1.04 -1.54 -1.57 0.00 0.00 175.55 173.89 3dfi s SER 53 N -3.98 6.24 0.32 2.29 1.04 -1.26 -4.85 113.70 113.50 3dfi s SER 53 Ca 0.43 1.88 0.09 0.00 0.48 0.00 0.00 55.95 58.83 3dfi s SER 53 Cb 0.01 -2.55 0.83 0.00 0.10 0.00 0.00 66.02 64.41 3dfi s SER 53 CO 0.24 -0.85 1.77 -0.65 0.98 0.00 0.00 173.24 174.73 3dfi h PRO 54 N 1.27 0.65 0.00 4.02 0.11 -2.00 0.30 132.00 136.34 3dfi h PRO 54 Ca -0.49 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3dfi h PRO 54 Cb 1.22 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3dfi h PRO 54 CO 0.59 0.43 -0.11 0.00 -0.21 0.00 0.00 178.00 178.70 3dfi h ALA 55 N 1.66 1.80 0.10 -0.75 0.00 -1.95 -0.76 119.26 119.35 3dfi h ALA 55 Ca 0.59 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 55.10 3dfi h ALA 55 Cb 1.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3dfi h ALA 55 CO -0.38 0.13 -1.59 0.00 0.00 0.00 0.00 179.25 177.41 3dfi h ALA 56 N 1.89 0.36 -0.03 0.00 0.00 -1.22 -3.29 119.26 116.98 3dfi h ALA 56 Ca -0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 3dfi h ALA 56 Cb 0.19 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dfi h ALA 56 CO 0.01 1.22 0.02 1.49 0.00 0.00 0.00 179.25 182.00 3dfi h GLU 57 N 0.06 0.02 -0.06 0.00 4.57 0.08 -0.78 114.58 118.46 3dfi h GLU 57 Ca -0.26 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.74 3dfi h GLU 57 Cb 2.01 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.61 3dfi h GLU 57 CO 0.14 0.01 -0.64 -0.09 -1.18 0.00 0.00 179.01 177.25 3dfi h ARG 58 N 0.02 0.54 -0.40 1.92 1.12 -1.25 -0.64 114.38 115.70 3dfi h ARG 58 Ca 0.01 -0.50 -0.11 0.00 -1.11 0.00 0.00 59.98 58.27 3dfi h ARG 58 Cb 0.03 0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 3dfi h ARG 58 CO -0.00 1.13 -0.20 0.74 -3.11 0.00 0.00 179.97 178.53 3dfi h PHE 59 N 0.14 0.87 -0.02 2.20 0.04 -1.55 -2.69 116.94 115.93 3dfi h PHE 59 Ca -0.06 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.51 3dfi h PHE 59 Cb 1.31 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 39.25 3dfi h PHE 59 CO 0.12 0.91 -0.01 0.45 -0.60 0.00 0.00 178.31 179.18 3dfi h HIS 60 N 0.68 0.05 -0.97 -0.55 3.86 -1.12 -2.68 115.15 114.42 3dfi h HIS 60 Ca 0.10 -0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.48 3dfi h HIS 60 Cb 0.71 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 29.07 3dfi h HIS 60 CO 0.04 0.45 0.57 0.00 0.86 0.00 0.00 177.93 179.85 3dfi h ALA 61 N 0.59 1.57 0.00 2.45 0.00 -1.13 0.64 119.26 123.38 3dfi h ALA 61 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3dfi h ALA 61 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3dfi h ALA 61 CO 0.00 -0.06 -0.18 -0.09 0.00 0.00 0.00 179.25 178.93 3dfi h ARG 62 N 0.73 0.00 -0.00 0.00 2.43 -1.40 -2.02 114.38 114.12 3dfi h ARG 62 Ca 0.55 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 3dfi h ARG 62 Cb 0.84 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3dfi h ARG 62 CO -0.38 0.18 -0.20 0.91 -1.51 0.00 0.00 179.97 178.96 3dfi n TRP 63 N -3.88 0.00 -0.48 2.20 8.01 0.15 -4.71 117.44 118.73 3dfi n TRP 63 Ca -0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 3dfi n TRP 63 Cb 0.27 -0.25 0.00 0.00 -2.01 0.00 0.00 31.31 29.32 3dfi n TRP 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dfi n GLY 64 N 1.38 0.71 3.89 6.99 0.00 -0.76 -4.62 105.19 112.78 3dfi n GLY 64 Ca 0.11 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 3dfi n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dfi s LEU 65 N 0.00 4.35 0.30 0.99 1.43 -0.84 -5.00 118.68 119.91 3dfi s LEU 65 Ca 0.00 0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 53.67 3dfi s LEU 65 Cb 0.00 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 3dfi s LEU 65 CO 0.00 0.21 0.52 -0.94 0.23 0.00 0.00 176.35 176.37 3dfi s SER 66 N -1.87 6.36 0.38 2.29 1.04 -1.26 -3.88 113.70 116.77 3dfi s SER 66 Ca 0.31 0.54 0.18 0.00 0.48 0.00 0.00 55.95 57.46 3dfi s SER 66 Cb -0.13 -2.07 1.10 0.00 0.10 0.00 0.00 66.02 65.02 3dfi s SER 66 CO 0.18 -0.22 1.73 -0.65 0.98 0.00 0.00 173.24 175.27 3dfi h PRO 67 N 1.31 0.38 -0.01 4.02 0.11 -1.99 -1.52 132.00 134.30 3dfi h PRO 67 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3dfi h PRO 67 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3dfi h PRO 67 CO 0.64 0.25 -0.07 0.25 -0.21 0.00 0.00 178.00 178.86 3dfi n THR 68 N -4.73 0.00 -2.85 -1.15 -2.24 -1.26 -4.80 114.28 97.24 3dfi n THR 68 Ca 0.28 -0.11 -0.40 0.00 -2.27 0.00 0.00 64.05 61.54 3dfi n THR 68 Cb 0.93 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 3dfi n THR 68 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dfi s GLU 69 N -2.24 4.61 -0.63 -0.78 2.02 -0.58 -4.83 118.70 116.27 3dfi s GLU 69 Ca 0.35 1.27 -0.27 0.00 0.02 0.00 0.00 54.97 56.34 3dfi s GLU 69 Cb 0.21 -3.36 0.01 0.00 0.10 0.00 0.00 34.13 31.09 3dfi s GLU 69 CO 0.42 0.28 1.42 0.34 0.02 0.00 0.00 175.26 177.74 3dfi s ASP 70 N -0.16 6.02 0.00 -0.19 -1.08 -1.26 -4.71 116.67 115.30 3dfi s ASP 70 Ca 0.42 0.02 -0.25 0.00 -0.52 0.00 0.00 52.55 52.23 3dfi s ASP 70 Cb -0.22 -2.55 -0.18 0.00 -1.46 0.00 0.00 42.92 38.51 3dfi s ASP 70 CO 0.27 -1.85 1.29 0.00 0.52 0.00 0.00 175.17 175.41 3dfi h ALA 71 N 11.21 -0.20 -0.84 3.66 0.00 -1.95 -1.72 119.26 129.42 3dfi h ALA 71 Ca -0.27 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.53 3dfi h ALA 71 Cb 1.09 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 3dfi h ALA 71 CO 1.22 -0.43 0.55 -1.35 0.00 0.00 0.00 179.25 179.24 3dfi h PRO 72 N -0.57 0.87 0.40 0.00 0.11 -1.89 -0.82 132.00 130.10 3dfi h PRO 72 Ca -0.02 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 3dfi h PRO 72 Cb 0.44 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 3dfi h PRO 72 CO 0.03 0.57 -0.24 1.25 -0.21 0.00 0.00 178.00 179.41 3dfi h LEU 73 N 0.89 -0.59 -0.78 2.35 5.85 -1.87 0.17 115.31 121.33 3dfi h LEU 73 Ca 0.37 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.29 3dfi h LEU 73 Cb 0.29 0.17 -0.14 0.00 0.37 0.00 0.00 40.66 41.35 3dfi h LEU 73 CO -0.14 -0.38 -0.14 -0.09 -0.34 0.00 0.00 178.44 177.35 3dfi h ARG 74 N -0.61 0.02 -0.34 1.25 9.65 -0.82 -0.46 114.38 123.08 3dfi h ARG 74 Ca -0.04 -0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.72 3dfi h ARG 74 Cb 0.50 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 3dfi h ARG 74 CO 0.05 0.01 -0.25 0.00 2.80 0.00 0.00 179.97 182.58 3dfi h ARG 75 N 0.02 0.68 -0.51 0.20 3.08 -0.81 -0.32 114.38 116.72 3dfi h ARG 75 Ca 0.39 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 3dfi h ARG 75 Cb 0.63 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3dfi h ARG 75 CO -0.77 0.86 0.00 0.00 -1.07 0.00 0.00 179.97 179.00 3dfi h ARG 76 N 0.59 0.86 -0.64 0.04 3.08 0.03 -0.69 114.38 117.65 3dfi h ARG 76 Ca 0.08 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 3dfi h ARG 76 Cb 0.74 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3dfi h ARG 76 CO 0.06 0.86 0.06 -0.91 -1.07 0.00 0.00 179.97 178.97 3dfi h ASN 77 N 0.80 1.06 -0.43 7.04 2.35 -0.70 -1.28 115.58 124.43 3dfi h ASN 77 Ca 0.15 -0.28 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3dfi h ASN 77 Cb 0.48 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3dfi h ASN 77 CO 0.02 1.08 0.25 -0.33 -1.65 0.00 0.00 177.43 176.80 3dfi h GLU 78 N 1.01 0.50 -0.56 0.81 5.08 -0.71 -2.17 114.58 118.54 3dfi h GLU 78 Ca 0.19 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3dfi h GLU 78 Cb 0.50 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3dfi h GLU 78 CO 0.02 0.33 0.35 0.22 -1.00 0.00 0.00 179.01 178.93 3dfi h ASP 79 N 0.51 0.66 -0.11 1.42 3.58 -0.90 -1.29 116.42 120.29 3dfi h ASP 79 Ca 0.17 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.58 3dfi h ASP 79 Cb 0.01 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3dfi h ASP 79 CO -0.08 0.51 0.07 0.40 -2.88 0.00 0.00 179.24 177.26 3dfi h ILE 80 N 0.75 1.03 -0.17 2.25 2.04 -1.12 -0.55 117.51 121.74 3dfi h ILE 80 Ca 0.20 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 66.05 3dfi h ILE 80 Cb -0.04 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3dfi h ILE 80 CO -0.04 0.03 -0.06 0.00 0.00 0.00 0.00 178.15 178.07 3dfi h ALA 81 N 1.04 0.09 0.20 1.87 0.00 -1.22 -1.10 119.26 120.14 3dfi h ALA 81 Ca 0.04 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3dfi h ALA 81 Cb -0.02 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3dfi h ALA 81 CO -0.01 -0.50 -0.23 0.00 0.00 0.00 0.00 179.25 178.51 3dfi h ALA 82 N 1.13 -0.45 -0.50 0.00 0.00 -1.12 -2.80 119.26 115.51 3dfi h ALA 82 Ca 0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3dfi h ALA 82 Cb 0.17 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3dfi h ALA 82 CO -0.20 -0.78 -0.02 -0.07 0.00 0.00 0.00 179.25 178.18 3dfi h LEU 83 N -0.47 0.89 -1.11 0.00 3.38 -0.96 -2.00 115.31 115.05 3dfi h LEU 83 Ca 0.00 -0.32 0.26 0.00 0.09 0.00 0.00 57.88 57.91 3dfi h LEU 83 Cb 0.45 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 40.84 3dfi h LEU 83 CO -0.07 1.00 0.62 0.44 0.09 0.00 0.00 178.44 180.52 3dfi h ASP 84 N 0.77 0.60 0.73 -0.43 5.19 -1.23 -0.31 116.42 121.74 3dfi h ASP 84 Ca 0.14 0.12 -0.06 0.00 -0.62 0.00 0.00 57.03 56.61 3dfi h ASP 84 Cb 0.55 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 3dfi h ASP 84 CO 0.03 0.09 -0.30 -0.61 -3.12 0.00 0.00 179.24 175.33 3dfi h GLN 85 N 0.51 0.00 -0.01 3.56 -0.00 -1.08 -2.74 115.11 115.35 3dfi h GLN 85 Ca 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.29 3dfi h GLN 85 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.82 3dfi h GLN 85 CO -0.43 0.30 -0.18 1.28 0.00 0.00 0.00 178.83 179.80 3dfi n LEU 86 N -3.57 1.13 -1.24 -2.39 4.77 -0.31 -4.94 117.00 110.45 3dfi n LEU 86 Ca -0.01 -0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 55.53 3dfi n LEU 86 Cb 0.43 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 3dfi n LEU 86 CO 0.35 0.20 -0.14 0.61 -1.33 0.00 0.00 177.39 177.08 3dfi n GLY 87 N 1.29 0.50 3.87 -0.72 0.00 -0.70 -4.52 105.19 104.91 3dfi n GLY 87 Ca 0.14 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3dfi n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfi s ALA 88 N -2.56 3.84 0.62 4.61 0.00 -0.28 -4.73 121.76 123.26 3dfi s ALA 88 Ca 0.00 -0.72 -0.17 0.00 0.00 0.00 0.00 51.96 51.07 3dfi s ALA 88 Cb 0.00 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 3dfi s ALA 88 CO 0.00 0.68 1.12 0.20 0.00 0.00 0.00 175.76 177.76 3dfi s GLY 89 N -1.46 2.35 0.08 0.00 0.00 0.34 -3.99 107.32 104.63 3dfi s GLY 89 Ca 0.21 0.67 0.08 0.00 0.00 0.00 0.00 44.72 45.68 3dfi s GLY 89 CO 0.11 1.03 -0.20 -2.38 0.00 0.00 0.00 173.10 171.66 3dfi s HIS 90 N -2.10 2.50 -0.03 1.90 -3.43 -1.26 -0.98 115.29 111.89 3dfi s HIS 90 Ca 0.70 -0.29 -0.00 0.00 -0.80 0.00 0.00 55.06 54.66 3dfi s HIS 90 Cb -0.22 -1.39 0.03 0.00 -1.43 0.00 0.00 32.58 29.56 3dfi s HIS 90 CO 0.36 0.29 0.05 0.50 -2.00 0.00 0.00 174.74 173.94 3dfi s ARG 91 N -1.72 -0.02 -0.27 -0.38 6.06 -0.30 -4.90 118.95 117.42 3dfi s ARG 91 Ca 0.15 0.21 -0.08 0.00 -2.50 0.00 0.00 55.73 53.52 3dfi s ARG 91 Cb -0.10 -0.24 -0.02 0.00 0.06 0.00 0.00 34.95 34.64 3dfi s ARG 91 CO 0.07 -0.17 0.10 -1.01 -2.50 0.00 0.00 175.30 171.79 3dfi s HIS 92 N 1.09 3.12 0.83 5.12 3.76 -1.26 -1.51 115.29 126.43 3dfi s HIS 92 Ca -0.09 -0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 54.28 3dfi s HIS 92 Cb -0.13 -2.28 0.09 0.00 1.11 0.00 0.00 32.58 31.38 3dfi s HIS 92 CO -0.03 -0.37 1.19 0.20 -0.85 0.00 0.00 174.74 174.88 3dfi s GLY 93 N 1.63 1.61 0.00 -2.22 0.00 0.90 -4.96 107.32 104.27 3dfi s GLY 93 Ca 0.06 -0.70 0.25 0.00 0.00 0.00 0.00 44.72 44.33 3dfi s GLY 93 CO 0.05 -0.18 1.40 -0.96 0.00 0.00 0.00 173.10 173.41 3dfi n ARG 94 N -3.37 1.28 -3.06 2.90 1.85 -1.24 -2.16 116.66 112.86 3dfi n ARG 94 Ca 0.09 -0.91 -0.35 0.00 -1.00 0.00 0.00 57.85 55.67 3dfi n ARG 94 Cb 0.61 -1.48 -0.06 0.00 -1.05 0.00 0.00 32.46 30.48 3dfi n ARG 94 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3dfi s PHE 95 N -2.35 3.58 -0.12 2.89 0.08 -1.05 -4.22 117.98 116.79 3dfi s PHE 95 Ca 0.25 1.41 -0.14 0.00 0.12 0.00 0.00 56.93 58.57 3dfi s PHE 95 Cb 0.19 -2.65 -0.05 0.00 -0.57 0.00 0.00 43.02 39.95 3dfi s PHE 95 CO 0.48 0.25 0.32 -0.51 -0.10 0.00 0.00 175.22 175.66 3dfi s LEU 96 N -2.25 4.30 0.50 -0.37 1.43 -1.26 -1.41 118.68 119.61 3dfi s LEU 96 Ca 0.47 0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 53.97 3dfi s LEU 96 Cb -0.15 -2.42 -0.08 0.00 0.03 0.00 0.00 46.19 43.57 3dfi s LEU 96 CO 0.20 0.15 1.08 -0.67 0.23 0.00 0.00 176.35 177.35 3dfi n ASP 97 N 3.15 1.49 -0.45 2.29 -0.08 -1.26 -4.80 116.55 116.88 3dfi n ASP 97 Ca -0.12 0.96 0.37 0.00 -1.51 0.00 0.00 54.79 54.48 3dfi n ASP 97 Cb 0.52 -1.42 0.66 0.00 2.34 0.00 0.00 41.12 43.22 3dfi n ASP 97 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3dfi h ALA 98 N 1.25 2.84 0.00 -1.67 0.00 -1.96 0.12 119.26 119.84 3dfi h ALA 98 Ca -0.47 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3dfi h ALA 98 Cb 1.33 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3dfi h ALA 98 CO 0.55 -1.40 0.00 -0.84 0.00 0.00 0.00 179.25 177.56 3dfi h ILE 99 N 0.11 0.00 -0.48 0.00 3.07 -2.00 -2.22 117.51 116.00 3dfi h ILE 99 Ca 0.77 -0.40 0.00 0.00 1.55 0.00 0.00 64.86 66.79 3dfi h ILE 99 Cb 2.53 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 40.36 3dfi h ILE 99 CO -0.30 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 175.58 3dfi n TYR 100 N -2.67 0.78 -1.44 0.16 4.01 0.42 -4.58 117.16 113.83 3dfi n TYR 100 Ca 0.02 -0.55 0.00 0.00 -0.16 0.00 0.00 57.90 57.21 3dfi n TYR 100 Cb 0.28 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 3dfi n TYR 100 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 3dfi n ARG 101 N 0.81 0.00 0.00 -0.72 1.85 -0.84 -4.98 116.66 112.77 3dfi n ARG 101 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.03 3dfi n ARG 101 Cb 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.99 3dfi n ARG 101 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3dfi n ASN 125 N 0.00 0.00 -0.04 2.89 4.05 -1.26 -5.05 115.26 115.86 3dfi n ASN 125 Ca 0.00 0.01 -0.15 0.00 0.45 0.00 0.00 54.58 54.89 3dfi n ASN 125 Cb 0.00 0.00 -0.09 0.00 1.23 0.00 0.00 39.78 40.93 3dfi n ASN 125 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 177.26 173.08 3dfi h ASN 126 N 0.00 0.50 -0.56 1.20 -1.24 -2.05 -3.14 115.58 110.30 3dfi h ASN 126 Ca 0.00 -0.62 -0.01 0.00 0.71 0.00 0.00 56.30 56.38 3dfi h ASN 126 Cb 0.00 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 38.88 3dfi h ASN 126 CO 0.00 1.04 0.33 -0.74 -1.29 0.00 0.00 177.43 176.77 3dfi h HIS 127 N -0.00 0.76 -0.73 0.67 2.76 -2.04 -1.79 115.15 114.77 3dfi h HIS 127 Ca -0.02 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 3dfi h HIS 127 Cb 1.01 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 3dfi h HIS 127 CO 0.12 0.54 0.32 -0.44 -1.30 0.00 0.00 177.93 177.16 3dfi h ASP 128 N 0.76 0.98 0.05 3.26 5.19 -2.00 -1.61 116.42 123.05 3dfi h ASP 128 Ca 0.20 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3dfi h ASP 128 Cb 0.01 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.27 3dfi h ASP 128 CO -0.04 0.85 -0.03 0.25 -3.12 0.00 0.00 179.24 177.16 3dfi h LEU 129 N 1.05 -0.06 -0.70 1.55 5.85 -1.45 -2.05 115.31 119.50 3dfi h LEU 129 Ca 0.25 -0.41 0.11 0.00 0.84 0.00 0.00 57.88 58.67 3dfi h LEU 129 Cb 0.16 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 3dfi h LEU 129 CO -0.03 0.39 0.29 0.58 -0.34 0.00 0.00 178.44 179.34 3dfi h VAL 130 N -0.53 0.74 -0.56 1.05 2.07 -1.23 0.83 116.25 118.62 3dfi h VAL 130 Ca -0.01 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 3dfi h VAL 130 Cb 0.47 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3dfi h VAL 130 CO 0.01 0.09 -0.09 0.00 0.02 0.00 0.00 177.57 177.60 3dfi h ALA 131 N 1.48 0.78 -0.37 1.67 0.00 -1.29 0.14 119.26 121.67 3dfi h ALA 131 Ca 0.37 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3dfi h ALA 131 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3dfi h ALA 131 CO -0.34 0.67 0.09 0.00 0.00 0.00 0.00 179.25 179.67 3dfi h ALA 132 N 0.95 0.48 -0.24 0.00 0.00 -0.79 -2.32 119.26 117.35 3dfi h ALA 132 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3dfi h ALA 132 Cb 0.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3dfi h ALA 132 CO 0.05 0.16 0.10 0.82 0.00 0.00 0.00 179.25 180.37 3dfi h ILE 133 N 0.44 1.16 -0.68 0.00 2.04 -0.65 -3.05 117.51 116.77 3dfi h ILE 133 Ca 0.11 -0.49 0.13 0.00 1.00 0.00 0.00 64.86 65.62 3dfi h ILE 133 Cb 0.31 1.05 -0.09 0.00 -0.74 0.00 0.00 36.82 37.35 3dfi h ILE 133 CO 0.00 0.16 0.21 -0.09 0.00 0.00 0.00 178.15 178.44 3dfi h ARG 134 N 0.23 0.34 -0.22 2.37 2.43 -0.62 -0.92 114.38 117.99 3dfi h ARG 134 Ca 0.08 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3dfi h ARG 134 Cb 0.17 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3dfi h ARG 134 CO -0.01 0.22 0.00 0.93 -1.51 0.00 0.00 179.97 179.61 3dfi h GLU 135 N 0.35 0.07 -0.66 0.20 5.08 -1.34 1.00 114.58 119.27 3dfi h GLU 135 Ca 0.37 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 3dfi h GLU 135 Cb 0.56 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3dfi h GLU 135 CO -0.41 0.04 0.26 -0.44 -1.00 0.00 0.00 179.01 177.46 3dfi h ASP 136 N 0.07 0.89 -0.47 1.42 5.19 -1.35 -0.82 116.42 121.36 3dfi h ASP 136 Ca 0.10 -0.13 -0.11 0.00 -0.62 0.00 0.00 57.03 56.28 3dfi h ASP 136 Cb 0.13 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 3dfi h ASP 136 CO -0.17 0.80 -0.13 0.40 -3.12 0.00 0.00 179.24 177.02 3dfi h ILE 137 N 0.96 1.27 -0.51 0.35 2.04 -0.80 -0.56 117.51 120.26 3dfi h ILE 137 Ca 0.22 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.85 3dfi h ILE 137 Cb 0.19 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3dfi h ILE 137 CO -0.02 0.44 0.28 -0.33 0.00 0.00 0.00 178.15 178.52 3dfi h GLU 138 N 0.76 0.54 -0.78 2.37 5.08 -0.55 0.11 114.58 122.12 3dfi h GLU 138 Ca 0.12 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3dfi h GLU 138 Cb 0.68 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3dfi h GLU 138 CO 0.05 0.36 0.52 0.77 -1.00 0.00 0.00 179.01 179.70 3dfi h SER 139 N 0.56 0.89 -0.67 1.42 0.02 -1.00 -1.33 113.55 113.43 3dfi h SER 139 Ca 0.21 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3dfi h SER 139 Cb 0.08 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 3dfi h SER 139 CO -0.12 0.65 0.26 -0.03 -1.14 0.00 0.00 176.83 176.44 3dfi h MET 140 N 1.06 1.01 -0.21 3.45 1.85 -0.68 -2.06 114.93 119.34 3dfi h MET 140 Ca 0.28 -0.19 -0.00 0.00 -0.61 0.00 0.00 59.70 59.18 3dfi h MET 140 Cb -0.12 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 31.74 3dfi h MET 140 CO -0.06 0.85 0.13 0.82 -0.40 0.00 0.00 176.91 178.24 3dfi h ILE 141 N 0.95 1.09 -0.73 1.77 2.04 -0.60 0.59 117.51 122.63 3dfi h ILE 141 Ca 0.22 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.92 3dfi h ILE 141 Cb 0.22 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 3dfi h ILE 141 CO -0.02 0.09 0.41 0.00 0.00 0.00 0.00 178.15 178.64 3dfi h ALA 142 N 1.03 1.01 -0.26 1.87 0.00 -1.18 -0.09 119.26 121.64 3dfi h ALA 142 Ca 0.08 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3dfi h ALA 142 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3dfi h ALA 142 CO -0.01 0.08 -0.43 1.49 0.00 0.00 0.00 179.25 180.37 3dfi h GLU 143 N 0.74 0.74 0.00 0.00 4.81 -1.05 -3.31 114.58 116.50 3dfi h GLU 143 Ca 0.34 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3dfi h GLU 143 Cb 0.25 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3dfi h GLU 143 CO -0.21 1.08 -0.77 0.00 -0.73 0.00 0.00 179.01 178.39 3dfi n ASP 145 N -1.75 -2.27 -4.79 0.00 2.03 -0.06 -4.91 116.55 104.79 3dfi n ASP 145 Ca 0.04 -1.22 -0.32 0.00 0.52 0.00 0.00 54.79 53.81 3dfi n ASP 145 Cb 0.38 -2.06 0.04 0.00 -0.72 0.00 0.00 41.12 38.76 3dfi n ASP 145 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3dfi s PRO 146 N -7.12 3.00 -0.00 -0.67 0.04 -1.26 -4.89 135.00 124.10 3dfi s PRO 146 Ca 0.28 1.19 0.20 0.00 0.04 0.00 0.00 61.00 62.71 3dfi s PRO 146 Cb -0.14 -1.99 -0.22 0.00 0.04 0.00 0.00 34.50 32.19 3dfi s PRO 146 CO 0.96 -1.07 0.82 0.25 0.04 0.00 0.00 177.00 178.00 3dfi n THR 147 N -2.52 0.00 -3.72 1.26 -2.24 0.10 -4.93 114.28 102.24 3dfi n THR 147 Ca 0.09 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 3dfi n THR 147 Cb 0.53 0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 69.60 3dfi n THR 147 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3dfi s LEU 148 N -3.02 0.25 -0.10 3.22 2.96 -1.06 -4.46 118.68 116.48 3dfi s LEU 148 Ca 0.07 0.80 -0.00 0.00 -0.22 0.00 0.00 54.13 54.77 3dfi s LEU 148 Cb 0.15 1.26 -0.03 0.00 0.50 0.00 0.00 46.19 48.07 3dfi s LEU 148 CO 0.82 -0.16 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.91 3dfi s VAL 149 N 0.84 3.56 0.03 1.68 1.01 -0.30 -1.11 120.40 126.11 3dfi s VAL 149 Ca -0.05 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.50 3dfi s VAL 149 Cb -0.06 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3dfi s VAL 149 CO -0.06 0.56 -0.25 -0.76 0.00 0.00 0.00 175.10 174.59 3dfi s LEU 150 N -0.34 2.14 0.00 3.92 1.43 -0.36 -2.10 118.68 123.36 3dfi s LEU 150 Ca 0.05 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3dfi s LEU 150 Cb -0.12 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.90 3dfi s LEU 150 CO 0.02 0.25 0.51 1.07 0.23 0.00 0.00 176.35 178.43 3dfi n THR 151 N 1.94 0.00 -2.57 5.49 5.66 -0.96 0.03 114.28 123.87 3dfi n THR 151 Ca -0.17 -1.67 -0.33 0.00 -3.05 0.00 0.00 64.05 58.83 3dfi n THR 151 Cb 0.52 1.07 -0.04 0.00 -1.55 0.00 0.00 70.33 70.33 3dfi n THR 151 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dfi n VAL 153 N -0.99 0.64 -2.45 0.00 3.14 0.30 -4.62 118.33 114.36 3dfi n VAL 153 Ca 0.08 -0.21 -0.07 0.00 -2.96 0.00 0.00 64.34 61.18 3dfi n VAL 153 Cb 0.53 -0.68 0.01 0.00 -1.06 0.00 0.00 33.84 32.64 3dfi n VAL 153 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dfi n ALA 154 N -1.79 -0.31 -1.76 1.55 0.00 -1.26 -4.81 120.51 112.13 3dfi n ALA 154 Ca 0.05 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 3dfi n ALA 154 Cb 0.40 -1.55 -0.01 0.00 0.00 0.00 0.00 19.45 18.29 3dfi n ALA 154 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dfi s ILE 155 N -2.68 2.04 0.00 0.00 1.01 -1.26 -2.26 121.20 118.04 3dfi s ILE 155 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.77 3dfi s ILE 155 Cb -0.04 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.41 3dfi s ILE 155 CO 0.11 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.66 3dfi n GLY 156 N 1.93 0.33 2.28 6.18 0.00 -1.26 -4.70 105.19 109.94 3dfi n GLY 156 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 3dfi n GLY 156 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dfi n LYS 157 N -2.00 -1.89 -1.81 1.61 5.02 -0.96 -4.94 118.16 113.19 3dfi n LYS 157 Ca 0.00 0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 56.53 3dfi n LYS 157 Cb 0.00 -5.13 -0.02 0.00 -0.02 0.00 0.00 35.03 29.86 3dfi n LYS 157 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3dfi s HIS 158 N -2.43 2.88 0.49 2.13 2.46 -1.26 -4.87 115.29 114.69 3dfi s HIS 158 Ca 0.00 0.63 0.16 0.00 0.47 0.00 0.00 55.06 56.32 3dfi s HIS 158 Cb 0.00 -4.05 1.17 0.00 -0.13 0.00 0.00 32.58 29.58 3dfi s HIS 158 CO 0.00 -3.72 2.09 -1.35 -2.47 0.00 0.00 174.74 169.29 3dfi h PRO 159 N 5.84 0.00 -0.14 2.88 0.11 -1.99 -0.85 132.00 137.86 3dfi h PRO 159 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 3dfi h PRO 159 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3dfi h PRO 159 CO 0.87 0.07 -0.35 -0.44 -0.21 0.00 0.00 178.00 177.94 3dfi h ASP 160 N 0.00 0.29 -0.14 -2.05 3.45 -1.99 -0.39 116.42 115.59 3dfi h ASP 160 Ca -0.00 -0.11 -0.11 0.00 0.43 0.00 0.00 57.03 57.25 3dfi h ASP 160 Cb 0.13 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3dfi h ASP 160 CO 0.01 0.62 -0.33 0.45 -1.57 0.00 0.00 179.24 178.42 3dfi h HIS 161 N 0.24 0.61 -0.18 4.55 3.86 -1.58 -0.86 115.15 121.79 3dfi h HIS 161 Ca 0.03 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 3dfi h HIS 161 Cb 0.73 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 3dfi h HIS 161 CO 0.01 0.95 0.12 -0.22 0.86 0.00 0.00 177.93 179.65 3dfi h LYS 162 N 0.09 0.25 -0.32 2.45 3.64 -1.14 -1.17 116.57 120.36 3dfi h LYS 162 Ca -0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3dfi h LYS 162 Cb 0.93 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 3dfi h LYS 162 CO 0.07 0.18 0.17 0.00 -2.27 0.00 0.00 179.45 177.61 3dfi h ALA 163 N 1.05 0.41 -0.11 5.00 0.00 -1.08 -0.96 119.26 123.57 3dfi h ALA 163 Ca 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dfi h ALA 163 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3dfi h ALA 163 CO -0.01 -0.06 0.04 1.15 0.00 0.00 0.00 179.25 180.37 3dfi h THR 164 N 0.39 0.99 0.06 0.00 2.02 -1.03 -1.41 112.91 113.93 3dfi h THR 164 Ca 0.11 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.28 3dfi h THR 164 Cb 0.07 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3dfi h THR 164 CO -0.02 0.02 -0.19 -0.09 0.37 0.00 0.00 175.52 175.61 3dfi h ARG 165 N 0.10 -0.33 -0.67 6.66 2.43 -1.09 -0.30 114.38 121.19 3dfi h ARG 165 Ca 0.05 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3dfi h ARG 165 Cb 0.02 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3dfi h ARG 165 CO -0.04 -0.22 0.39 -0.44 -1.51 0.00 0.00 179.97 178.15 3dfi h ASP 166 N -0.34 0.81 -0.66 -3.80 5.19 -1.05 0.15 116.42 116.73 3dfi h ASP 166 Ca 0.04 -0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 56.30 3dfi h ASP 166 Cb 0.38 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 3dfi h ASP 166 CO -0.14 0.65 0.12 0.00 -3.12 0.00 0.00 179.24 176.75 3dfi h ALA 167 N 1.20 0.94 -0.56 3.45 0.00 -1.16 -2.77 119.26 120.35 3dfi h ALA 167 Ca 0.24 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3dfi h ALA 167 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3dfi h ALA 167 CO -0.04 0.66 -0.08 1.15 0.00 0.00 0.00 179.25 180.94 3dfi h THR 168 N 1.03 1.27 -0.51 0.00 2.02 -0.41 -1.60 112.91 114.70 3dfi h THR 168 Ca 0.20 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 66.16 3dfi h THR 168 Cb 0.43 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3dfi h THR 168 CO 0.01 0.44 0.31 -0.07 0.37 0.00 0.00 175.52 176.59 3dfi h LEU 169 N 0.93 0.52 -0.51 2.58 3.38 -0.87 -0.47 115.31 120.87 3dfi h LEU 169 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3dfi h LEU 169 Cb 0.65 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3dfi h LEU 169 CO 0.05 0.37 0.21 -0.07 0.09 0.00 0.00 178.44 179.08 3dfi h LEU 170 N 0.63 0.69 -0.11 1.67 3.38 -1.39 -2.69 115.31 117.49 3dfi h LEU 170 Ca 0.20 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3dfi h LEU 170 Cb -0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3dfi h LEU 170 CO -0.08 0.66 -0.09 0.00 0.09 0.00 0.00 178.44 179.02 3dfi h ALA 171 N 1.06 0.15 -0.38 1.53 0.00 -0.95 -1.46 119.26 119.21 3dfi h ALA 171 Ca 0.17 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3dfi h ALA 171 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3dfi h ALA 171 CO -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3dfi h ALA 172 N 0.60 1.29 -0.39 0.00 0.00 -1.19 -1.83 119.26 117.74 3dfi h ALA 172 Ca 0.02 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3dfi h ALA 172 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3dfi h ALA 172 CO 0.02 0.48 -0.38 -0.09 0.00 0.00 0.00 179.25 179.29 3dfi h ARG 173 N 0.58 0.94 -0.60 0.00 2.43 -1.47 0.80 114.38 117.05 3dfi h ARG 173 Ca 0.12 -0.49 -0.02 0.00 -0.81 0.00 0.00 59.98 58.78 3dfi h ARG 173 Cb 0.36 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3dfi h ARG 173 CO 0.01 1.15 0.31 1.49 -1.51 0.00 0.00 179.97 181.42 3dfi h GLU 174 N 0.77 0.85 -0.18 0.20 4.57 -1.06 -2.93 114.58 116.80 3dfi h GLU 174 Ca 0.06 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3dfi h GLU 174 Cb 0.97 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 3dfi h GLU 174 CO 0.09 0.67 0.00 0.54 -1.18 0.00 0.00 179.01 179.13 3dfi n ARG 175 N -4.55 1.79 -3.77 1.92 1.74 -0.71 -4.96 116.66 108.13 3dfi n ARG 175 Ca 0.04 -1.19 -0.26 0.00 -0.77 0.00 0.00 57.85 55.67 3dfi n ARG 175 Cb 0.11 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.18 3dfi n ARG 175 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dfi n GLY 176 N 1.16 -0.45 3.62 -0.13 0.00 -0.15 -5.01 105.19 104.23 3dfi n GLY 176 Ca 0.16 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 3dfi n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfi s ILE 177 N -3.40 4.65 0.43 -0.61 -1.09 0.09 -5.03 121.20 116.23 3dfi s ILE 177 Ca 0.44 -0.09 -0.25 0.00 -2.23 0.00 0.00 60.65 58.53 3dfi s ILE 177 Cb -0.21 -3.08 -0.10 0.00 -1.58 0.00 0.00 42.46 37.49 3dfi s ILE 177 CO 0.80 0.47 1.13 -2.65 -1.23 0.00 0.00 174.94 173.47 3dfi n PRO 178 N 3.45 1.59 -3.97 2.79 -0.02 -1.26 -4.59 135.00 133.00 3dfi n PRO 178 Ca -0.17 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 61.77 3dfi n PRO 178 Cb 0.52 -2.21 -0.13 0.00 -0.02 0.00 0.00 33.50 31.67 3dfi n PRO 178 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3dfi s LEU 179 N -1.17 2.11 0.05 2.45 0.20 -1.26 -1.16 118.68 119.90 3dfi s LEU 179 Ca 0.63 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 55.24 3dfi s LEU 179 Cb -0.53 -0.02 -0.02 0.00 -0.43 0.00 0.00 46.19 45.19 3dfi s LEU 179 CO 0.57 -0.12 -0.12 -0.13 -0.29 0.00 0.00 176.35 176.26 3dfi s ARG 180 N -0.69 0.73 -0.16 1.98 0.52 -0.89 -4.41 118.95 116.04 3dfi s ARG 180 Ca -0.06 -0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 54.34 3dfi s ARG 180 Cb -0.05 -0.67 -0.03 0.00 0.52 0.00 0.00 34.95 34.73 3dfi s ARG 180 CO -0.00 0.15 -0.05 -0.51 0.02 0.00 0.00 175.30 174.91 3dfi s LEU 181 N -1.38 3.18 0.37 2.53 1.43 0.07 -2.26 118.68 122.62 3dfi s LEU 181 Ca -0.03 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 3dfi s LEU 181 Cb -0.09 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3dfi s LEU 181 CO 0.01 0.16 0.62 -1.66 0.23 0.00 0.00 176.35 175.72 3dfi s TRP 182 N 0.41 3.51 -0.39 0.29 -2.14 0.23 0.04 118.94 120.90 3dfi s TRP 182 Ca -0.05 0.56 -0.27 0.00 2.66 0.00 0.00 56.10 59.01 3dfi s TRP 182 Cb -0.14 -2.07 0.02 0.00 -3.10 0.00 0.00 33.47 28.18 3dfi s TRP 182 CO 0.03 0.01 0.99 -1.14 -2.66 0.00 0.00 176.95 174.19 3dfi s GLN 183 N -4.26 3.83 0.24 3.25 0.74 -0.63 -0.54 119.66 122.28 3dfi s GLN 183 Ca 0.43 0.62 -0.31 0.00 0.05 0.00 0.00 55.36 56.15 3dfi s GLN 183 Cb -0.10 -3.82 -0.11 0.00 1.10 0.00 0.00 33.01 30.07 3dfi s GLN 183 CO 0.37 -1.05 1.64 -0.51 -0.55 0.00 0.00 175.29 175.19 3dfi s ASP 184 N 1.99 6.42 0.10 6.67 1.11 -1.26 -4.81 116.67 126.90 3dfi s ASP 184 Ca 0.41 2.86 0.08 0.00 0.18 0.00 0.00 52.55 56.08 3dfi s ASP 184 Cb -0.11 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.23 3dfi s ASP 184 CO 0.21 -0.92 -0.21 -0.76 1.18 0.00 0.00 175.17 174.67 3dfi s LEU 185 N 0.47 2.30 0.00 1.23 1.43 -1.26 -1.69 118.68 121.16 3dfi s LEU 185 Ca 0.69 -0.69 0.31 0.00 -1.03 0.00 0.00 54.13 53.41 3dfi s LEU 185 Cb -0.48 -0.91 1.70 0.00 0.03 0.00 0.00 46.19 46.53 3dfi s LEU 185 CO 0.38 0.07 2.12 -0.81 0.23 0.00 0.00 176.35 178.34 3dfi n PRO 186 N 1.07 1.05 -0.31 1.29 -0.04 -1.26 -4.55 135.00 132.24 3dfi n PRO 186 Ca -0.19 -0.17 0.16 0.00 -0.04 0.00 0.00 63.50 63.25 3dfi n PRO 186 Cb 0.53 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.83 3dfi n PRO 186 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3dfi h TYR 187 N 0.42 0.53 0.00 0.54 0.05 -1.94 0.35 116.97 116.93 3dfi h TYR 187 Ca 0.00 0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 3dfi h TYR 187 Cb 0.12 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.77 3dfi h TYR 187 CO 0.00 -0.18 -0.07 0.00 -1.05 0.00 0.00 178.16 176.86 3dfi h ALA 188 N 1.79 1.05 0.00 3.88 0.00 -1.52 -2.32 119.26 122.14 3dfi h ALA 188 Ca 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3dfi h ALA 188 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dfi h ALA 188 CO -0.63 0.09 0.00 0.00 0.00 0.00 0.00 179.25 178.72 3dfi h ALA 189 N 1.93 1.00 0.00 0.00 0.00 -0.56 -3.31 119.26 118.32 3dfi h ALA 189 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 3dfi h ALA 189 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3dfi h ALA 189 CO 0.01 0.00 -2.14 0.66 0.00 0.00 0.00 179.25 177.78 3dfi n TYR 190 N -2.49 0.00 -3.47 0.00 4.01 -0.90 -5.04 117.16 109.27 3dfi n TYR 190 Ca 0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.64 3dfi n TYR 190 Cb 0.27 -0.78 -0.02 0.00 -0.31 0.00 0.00 39.34 38.50 3dfi n TYR 190 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3dfi s SER 191 N -5.81 -0.52 1.16 7.72 0.01 -1.03 -5.15 113.70 110.08 3dfi s SER 191 Ca -0.24 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 56.95 3dfi s SER 191 Cb 0.07 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.89 3dfi s SER 191 CO 0.50 -0.98 0.00 1.67 0.41 0.00 0.00 173.24 174.84 3dfi n GLN 192 N -0.37 0.00 0.00 12.44 7.27 -1.26 -4.33 117.38 131.13 3dfi n GLN 192 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.91 3dfi n GLN 192 Cb 0.65 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.30 3dfi n GLN 192 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 3dfi n ASP 193 N 4.29 0.00 -4.57 1.69 5.68 -1.26 -5.10 116.55 117.28 3dfi n ASP 193 Ca 0.00 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.89 3dfi n ASP 193 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 3dfi n ASP 193 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3dfi s LEU 194 N 0.00 3.39 0.18 -2.12 2.01 -1.26 -4.90 118.68 115.98 3dfi s LEU 194 Ca 0.00 0.70 -0.05 0.00 0.01 0.00 0.00 54.13 54.79 3dfi s LEU 194 Cb 0.00 -2.95 -0.06 0.00 0.01 0.00 0.00 46.19 43.20 3dfi s LEU 194 CO 0.00 -2.07 0.42 0.00 1.01 0.00 0.00 176.35 175.71 3dfi s ALA 195 N 8.02 3.75 -0.68 4.21 0.00 -1.26 -4.96 121.76 130.83 3dfi s ALA 195 Ca 0.71 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.99 3dfi s ALA 195 Cb -0.16 -2.17 0.18 0.00 0.00 0.00 0.00 23.12 20.96 3dfi s ALA 195 CO 0.26 0.58 0.61 -2.00 0.00 0.00 0.00 175.76 175.21 3dfi s GLU 196 N -2.85 3.19 0.64 0.00 2.12 -1.26 -5.06 118.70 115.47 3dfi s GLU 196 Ca 0.42 -2.17 -0.15 0.00 0.36 0.00 0.00 54.97 53.43 3dfi s GLU 196 Cb -0.12 -4.26 -0.01 0.00 0.26 0.00 0.00 34.13 30.00 3dfi s GLU 196 CO 0.25 -1.28 1.10 -0.51 -0.54 0.00 0.00 175.26 174.28 3dfi s LEU 197 N 0.70 3.42 0.72 2.70 1.43 -1.26 -5.02 118.68 121.37 3dfi s LEU 197 Ca 0.12 1.95 -0.16 0.00 -1.03 0.00 0.00 54.13 55.00 3dfi s LEU 197 Cb -0.19 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 3dfi s LEU 197 CO -0.04 -1.50 0.48 -2.65 0.23 0.00 0.00 176.35 172.86 3dfi n PRO 198 N -2.32 0.28 -1.63 1.29 -0.02 -1.26 -4.91 135.00 126.43 3dfi n PRO 198 Ca 0.10 0.13 -0.39 0.00 -2.02 0.00 0.00 63.50 61.32 3dfi n PRO 198 Cb 0.52 -1.78 0.04 0.00 -0.02 0.00 0.00 33.50 32.26 3dfi n PRO 198 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3dfi n ASP 199 N -0.09 1.16 0.00 2.55 8.00 -1.26 -2.56 116.55 124.35 3dfi n ASP 199 Ca 0.10 0.89 0.00 0.00 0.71 0.00 0.00 54.79 56.49 3dfi n ASP 199 Cb 0.50 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 3dfi n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dfi n GLY 200 N 1.19 0.92 3.42 0.44 0.00 -1.26 -4.96 105.19 104.94 3dfi n GLY 200 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3dfi n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dfi s LEU 201 N 0.00 2.48 0.11 0.99 1.43 -1.06 -1.05 118.68 121.58 3dfi s LEU 201 Ca 0.00 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.53 3dfi s LEU 201 Cb 0.00 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 3dfi s LEU 201 CO 0.00 0.24 0.15 0.00 0.23 0.00 0.00 176.35 176.98 3dfi s ARG 202 N -1.49 0.90 0.25 1.70 1.70 -0.67 -4.85 118.95 116.49 3dfi s ARG 202 Ca 0.14 -1.15 -0.30 0.00 -0.47 0.00 0.00 55.73 53.96 3dfi s ARG 202 Cb -0.10 0.31 -0.09 0.00 -0.57 0.00 0.00 34.95 34.50 3dfi s ARG 202 CO 0.05 -0.28 0.99 -0.51 -1.08 0.00 0.00 175.30 174.47 3dfi s LEU 203 N -2.93 4.62 0.00 -1.89 1.43 -1.26 -1.34 118.68 117.30 3dfi s LEU 203 Ca 0.12 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 3dfi s LEU 203 Cb 0.05 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.66 3dfi s LEU 203 CO -0.06 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.20 3dfi n GLY 204 N 1.41 -1.81 3.77 -3.19 0.00 0.58 -4.83 105.19 101.12 3dfi n GLY 204 Ca -0.02 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 3dfi n GLY 204 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dfi s SER 205 N -1.28 6.90 0.50 1.61 1.04 -1.26 -4.71 113.70 116.50 3dfi s SER 205 Ca 0.00 2.33 -0.22 0.00 0.48 0.00 0.00 55.95 58.54 3dfi s SER 205 Cb 0.00 -2.62 -0.06 0.00 0.10 0.00 0.00 66.02 63.44 3dfi s SER 205 CO 0.00 -0.41 1.21 -2.16 0.98 0.00 0.00 173.24 172.86 3dfi s PRO 206 N -1.89 3.49 -0.05 4.02 0.04 -1.26 -4.38 135.00 134.96 3dfi s PRO 206 Ca 0.51 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.43 3dfi s PRO 206 Cb -0.32 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 31.96 3dfi s PRO 206 CO 0.40 -0.80 -0.12 -2.00 0.04 0.00 0.00 177.00 174.52 3dfi s GLU 207 N -2.89 1.54 -0.19 4.56 2.56 0.25 -4.99 118.70 119.53 3dfi s GLU 207 Ca 0.68 -0.41 -0.25 0.00 0.00 0.00 0.00 54.97 54.99 3dfi s GLU 207 Cb -0.31 -1.31 -0.01 0.00 2.00 0.00 0.00 34.13 34.50 3dfi s GLU 207 CO 0.36 0.08 0.81 -0.51 -0.56 0.00 0.00 175.26 175.44 3dfi s LEU 208 N 0.47 4.14 -0.42 2.70 1.02 -1.26 -1.85 118.68 123.49 3dfi s LEU 208 Ca -0.10 1.10 -0.17 0.00 0.02 0.00 0.00 54.13 54.98 3dfi s LEU 208 Cb -0.14 -3.19 0.02 0.00 0.02 0.00 0.00 46.19 42.91 3dfi s LEU 208 CO 0.03 -0.42 0.43 -0.55 0.02 0.00 0.00 176.35 175.85 3dfi s SER 209 N 1.22 6.19 0.21 2.29 0.15 0.36 -4.94 113.70 119.18 3dfi s SER 209 Ca 0.36 -0.68 -0.20 0.00 0.70 0.00 0.00 55.95 56.13 3dfi s SER 209 Cb -0.16 -2.22 -0.08 0.00 -1.71 0.00 0.00 66.02 61.85 3dfi s SER 209 CO 0.11 -0.57 0.73 -0.36 1.20 0.00 0.00 173.24 174.35 3dfi s PHE 210 N 2.10 3.68 0.18 3.44 0.40 -1.26 -2.14 117.98 124.38 3dfi s PHE 210 Ca 0.11 1.41 0.04 0.00 -0.60 0.00 0.00 56.93 57.90 3dfi s PHE 210 Cb -0.17 -2.63 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 3dfi s PHE 210 CO 0.13 0.36 -0.07 0.14 0.70 0.00 0.00 175.22 176.48 3dfi s VAL 211 N -1.47 1.18 0.76 -0.44 -7.23 -0.73 -5.00 120.40 107.47 3dfi s VAL 211 Ca 0.42 -2.07 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 3dfi s VAL 211 Cb -0.17 -2.04 0.11 0.00 0.56 0.00 0.00 36.38 34.83 3dfi s VAL 211 CO 0.21 -0.59 1.07 1.51 -0.31 0.00 0.00 175.10 177.00 3dfi s ASP 212 N -3.23 4.34 0.38 4.85 3.84 -1.26 -4.39 116.67 121.19 3dfi s ASP 212 Ca 0.21 0.22 0.07 0.00 -0.00 0.00 0.00 52.55 53.05 3dfi s ASP 212 Cb 0.03 -0.68 0.76 0.00 -1.38 0.00 0.00 42.92 41.66 3dfi s ASP 212 CO 0.04 -1.90 1.95 1.05 -0.00 0.00 0.00 175.17 176.31 3dfi h GLU 213 N -0.80 0.41 -0.15 2.11 4.11 -2.00 -2.58 114.58 115.68 3dfi h GLU 213 Ca -0.43 -0.07 -0.13 0.00 0.07 0.00 0.00 59.36 58.81 3dfi h GLU 213 Cb 1.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3dfi h GLU 213 CO 0.51 0.42 -0.47 1.05 0.07 0.00 0.00 179.01 180.59 3dfi h GLU 214 N 0.40 0.38 -0.72 1.06 4.11 -1.98 -1.13 114.58 116.69 3dfi h GLU 214 Ca 0.09 -0.21 -0.06 0.00 0.07 0.00 0.00 59.36 59.26 3dfi h GLU 214 Cb 0.22 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3dfi h GLU 214 CO 0.00 0.77 0.22 0.00 0.07 0.00 0.00 179.01 180.08 3dfi h ALA 215 N 1.20 0.95 -0.35 1.06 0.00 -1.80 0.22 119.26 120.53 3dfi h ALA 215 Ca 0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3dfi h ALA 215 Cb 0.94 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3dfi h ALA 215 CO 0.08 0.63 -0.10 -0.09 0.00 0.00 0.00 179.25 179.77 3dfi h ARG 216 N 1.07 0.69 -0.47 0.00 2.43 -1.35 -0.65 114.38 116.10 3dfi h ARG 216 Ca 0.23 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3dfi h ARG 216 Cb 0.31 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3dfi h ARG 216 CO -0.01 0.86 0.28 1.15 -1.51 0.00 0.00 179.97 180.74 3dfi h THR 217 N 0.48 1.05 -0.65 0.20 2.02 -0.99 -1.84 112.91 113.18 3dfi h THR 217 Ca 0.09 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 3dfi h THR 217 Cb 0.61 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3dfi h THR 217 CO 0.04 0.10 0.17 0.03 0.37 0.00 0.00 175.52 176.23 3dfi h ARG 218 N 0.56 1.02 0.07 6.66 3.08 -0.43 -1.89 114.38 123.44 3dfi h ARG 218 Ca 0.19 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3dfi h ARG 218 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3dfi h ARG 218 CO -0.09 0.90 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.36 3dfi h LYS 219 N 0.98 -0.24 -0.52 0.04 3.64 -0.79 -1.34 116.57 118.34 3dfi h LYS 219 Ca 0.21 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 3dfi h LYS 219 Cb 0.33 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3dfi h LYS 219 CO -0.00 -0.16 -0.03 0.74 -2.27 0.00 0.00 179.45 177.72 3dfi h PHE 220 N -0.25 0.97 -0.39 1.91 0.05 -1.17 -0.72 116.94 117.34 3dfi h PHE 220 Ca 0.02 -0.16 -0.04 0.00 3.82 0.00 0.00 57.97 61.61 3dfi h PHE 220 Cb 0.27 -0.26 -0.02 0.00 2.00 0.00 0.00 35.95 37.95 3dfi h PHE 220 CO -0.15 0.89 0.08 0.37 -0.18 0.00 0.00 178.31 179.32 3dfi h GLN 221 N 0.82 0.63 -0.75 1.51 5.75 -1.31 -2.82 115.11 118.95 3dfi h GLN 221 Ca 0.15 -0.16 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 3dfi h GLN 221 Cb 0.53 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.95 3dfi h GLN 221 CO 0.03 0.67 0.46 0.00 -2.65 0.00 0.00 178.83 177.34 3dfi h ALA 222 N 0.93 1.00 -0.60 3.38 0.00 -0.88 -2.82 119.26 120.28 3dfi h ALA 222 Ca 0.12 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3dfi h ALA 222 Cb 0.34 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3dfi h ALA 222 CO 0.00 0.21 0.40 0.52 0.00 0.00 0.00 179.25 180.38 3dfi h MET 223 N 0.87 0.50 -0.13 0.00 2.86 -0.89 -2.06 114.93 116.09 3dfi h MET 223 Ca 0.32 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.96 3dfi h MET 223 Cb 0.10 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3dfi h MET 223 CO -0.14 0.33 0.13 0.87 1.06 0.00 0.00 176.91 179.16 3dfi h LYS 224 N 0.52 0.00 0.00 1.72 1.57 -1.31 -2.50 116.57 116.57 3dfi h LYS 224 Ca 0.26 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 3dfi h LYS 224 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3dfi h LYS 224 CO -0.08 0.00 -0.31 0.45 -0.57 0.00 0.00 179.45 178.94 3dfi h HIS 225 N 0.00 0.00 -0.54 -1.35 3.86 -1.49 -3.30 115.15 112.34 3dfi h HIS 225 Ca 0.06 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.56 3dfi h HIS 225 Cb 0.33 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.73 3dfi h HIS 225 CO 0.00 0.31 2.96 0.66 0.86 0.00 0.00 177.93 182.72 3dfi n TYR 226 N -3.78 2.89 0.13 2.45 4.01 -0.94 -4.68 117.16 117.23 3dfi n TYR 226 Ca -0.01 -2.94 -0.02 0.00 -0.16 0.00 0.00 57.90 54.77 3dfi n TYR 226 Cb 0.40 -2.26 0.19 0.00 -0.31 0.00 0.00 39.34 37.36 3dfi n TYR 226 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dfi h ALA 227 N 5.37 1.01 0.09 -0.72 0.00 -1.82 0.61 119.26 123.79 3dfi h ALA 227 Ca 0.65 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3dfi h ALA 227 Cb 0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3dfi h ALA 227 CO 1.72 0.70 -0.14 0.00 0.00 0.00 0.00 179.25 181.54 3dfi h THR 228 N 0.06 0.68 -0.09 0.00 1.03 -1.83 -1.28 112.91 111.48 3dfi h THR 228 Ca -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 66.24 3dfi h THR 228 Cb 1.01 0.68 0.01 0.00 -1.07 0.00 0.00 68.15 68.78 3dfi h THR 228 CO 0.08 0.00 -0.54 1.56 -0.01 0.00 0.00 175.52 176.61 3dfi h GLN 229 N -0.27 0.54 0.00 0.00 1.08 -1.79 -3.03 115.11 111.63 3dfi h GLN 229 Ca 0.02 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 3dfi h GLN 229 Cb 0.29 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3dfi h GLN 229 CO -0.07 1.08 0.00 1.28 -0.95 0.00 0.00 178.83 180.16 3dfi n LEU 230 N -4.20 0.51 0.29 1.46 4.32 0.16 -1.20 117.00 118.34 3dfi n LEU 230 Ca -0.08 0.68 0.19 0.00 -0.02 0.00 0.00 56.01 56.77 3dfi n LEU 230 Cb 0.62 -0.67 0.84 0.00 -1.62 0.00 0.00 43.42 42.59 3dfi n LEU 230 CO 0.47 -0.70 1.04 0.77 -1.22 0.00 0.00 177.39 177.76 3dfi h SER 231 N 0.00 0.00 0.00 -1.43 4.64 -1.10 0.97 113.55 116.63 3dfi h SER 231 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3dfi h SER 231 Cb 0.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.21 3dfi h SER 231 CO 0.00 0.00 -2.21 0.52 -0.87 0.00 0.00 176.83 174.27 3dfi n VAL 232 N -3.04 1.47 0.21 0.95 0.31 -0.47 -3.87 118.33 113.88 3dfi n VAL 232 Ca -0.00 -0.28 0.06 0.00 -0.01 0.00 0.00 64.34 64.11 3dfi n VAL 232 Cb 0.23 -1.95 0.46 0.00 -0.91 0.00 0.00 33.84 31.67 3dfi n VAL 232 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dfi h LEU 233 N -0.96 0.00 -3.80 7.52 3.38 -1.18 -2.73 115.31 117.54 3dfi h LEU 233 Ca -0.56 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.06 3dfi h LEU 233 Cb 1.48 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.90 3dfi h LEU 233 CO -0.34 0.30 -0.81 -0.67 0.09 0.00 0.00 178.44 177.01 3dfi n ASP 234 N -3.80 3.43 -3.83 -0.43 4.64 0.32 -4.48 116.55 112.42 3dfi n ASP 234 Ca -0.01 -3.40 -0.30 0.00 -1.38 0.00 0.00 54.79 49.69 3dfi n ASP 234 Cb 0.39 -0.40 0.26 0.00 -1.04 0.00 0.00 41.12 40.33 3dfi n ASP 234 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 3dfi s GLY 235 N -3.45 1.49 0.03 0.27 0.00 -1.03 -4.82 107.32 99.81 3dfi s GLY 235 Ca 0.43 -0.70 -0.34 0.00 0.00 0.00 0.00 44.72 44.12 3dfi s GLY 235 CO -0.01 0.20 1.76 -1.55 0.00 0.00 0.00 173.10 173.50 3dfi n PRO 236 N -5.17 2.25 -0.06 2.90 -0.04 -1.26 -1.79 135.00 131.82 3dfi n PRO 236 Ca 0.10 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 3dfi n PRO 236 Cb 0.59 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3dfi n PRO 236 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dfi n ASN 237 N 5.32 0.00 -4.76 3.54 3.02 -1.26 -5.04 115.26 116.08 3dfi n ASN 237 Ca 0.20 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.34 3dfi n ASN 237 Cb 0.30 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 3dfi n ASN 237 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3dfi s LYS 238 N -0.01 4.17 -0.41 3.52 3.01 -0.74 -4.92 119.74 124.36 3dfi s LYS 238 Ca 0.00 2.49 0.02 0.00 -1.01 0.00 0.00 55.97 57.47 3dfi s LYS 238 Cb 0.00 -3.03 0.52 0.00 -1.01 0.00 0.00 37.83 34.31 3dfi s LYS 238 CO 0.00 -0.53 1.82 0.09 0.51 0.00 0.00 175.35 177.24 3dfi n ASN 239 N 1.66 4.38 -0.18 2.83 4.13 -1.26 -4.79 115.26 122.03 3dfi n ASN 239 Ca 0.05 -3.38 -0.07 0.00 1.68 0.00 0.00 54.58 52.86 3dfi n ASN 239 Cb 0.39 -0.83 -0.06 0.00 -1.54 0.00 0.00 39.78 37.74 3dfi n ASN 239 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3dfi h LEU 240 N 1.24 -1.20 -0.26 3.41 5.85 -1.91 1.15 115.31 123.59 3dfi h LEU 240 Ca 0.53 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.41 3dfi h LEU 240 Cb 2.21 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 43.74 3dfi h LEU 240 CO 1.00 -0.17 0.11 -0.26 -0.34 0.00 0.00 178.44 178.78 3dfi h PHE 241 N -0.09 0.39 -0.33 1.25 -1.00 -1.94 0.97 116.94 116.19 3dfi h PHE 241 Ca 0.07 -0.03 0.06 0.00 2.81 0.00 0.00 57.97 60.88 3dfi h PHE 241 Cb 0.28 -0.12 -0.05 0.00 3.61 0.00 0.00 35.95 39.67 3dfi h PHE 241 CO -0.87 0.40 -0.00 0.00 -1.61 0.00 0.00 178.31 176.23 3dfi h ALA 242 N 0.95 0.29 -0.69 2.45 0.00 -1.29 -1.39 119.26 119.58 3dfi h ALA 242 Ca 0.09 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3dfi h ALA 242 Cb 0.17 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3dfi h ALA 242 CO -0.01 -0.41 0.40 -0.22 0.00 0.00 0.00 179.25 179.02 3dfi h LYS 243 N 0.09 0.74 -0.63 0.00 1.63 0.18 0.13 116.57 118.71 3dfi h LYS 243 Ca 0.16 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.84 3dfi h LYS 243 Cb 0.22 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 3dfi h LYS 243 CO -0.27 0.49 0.10 -0.07 -3.45 0.00 0.00 179.45 176.25 3dfi h LEU 244 N 0.76 1.00 -0.67 5.20 3.38 -0.63 0.12 115.31 124.47 3dfi h LEU 244 Ca 0.30 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3dfi h LEU 244 Cb 0.14 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3dfi h LEU 244 CO -0.16 1.00 0.19 0.44 0.09 0.00 0.00 178.44 180.00 3dfi h ASP 245 N 0.95 1.00 -0.30 -0.43 3.32 -0.56 -1.78 116.42 118.61 3dfi h ASP 245 Ca 0.19 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3dfi h ASP 245 Cb 0.43 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3dfi h ASP 245 CO 0.01 0.95 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.38 3dfi h GLU 246 N 0.99 0.55 0.20 3.56 4.81 -0.57 -0.61 114.58 123.50 3dfi h GLU 246 Ca 0.21 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3dfi h GLU 246 Cb 0.33 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3dfi h GLU 246 CO -0.00 0.71 -0.30 1.25 -0.73 0.00 0.00 179.01 179.94 3dfi h HIS 247 N 0.33 -0.80 -0.69 0.92 2.76 -0.68 0.16 115.15 117.15 3dfi h HIS 247 Ca 0.08 0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.38 3dfi h HIS 247 Cb 0.49 0.33 -0.08 0.00 1.55 0.00 0.00 27.41 29.69 3dfi h HIS 247 CO 0.04 -0.41 0.27 0.00 -1.30 0.00 0.00 177.93 176.53 3dfi h ALA 248 N 0.07 0.93 -0.38 5.26 0.00 -1.34 -2.07 119.26 121.73 3dfi h ALA 248 Ca 0.01 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3dfi h ALA 248 Cb 0.56 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3dfi h ALA 248 CO -0.12 -0.18 0.23 -0.09 0.00 0.00 0.00 179.25 179.09 3dfi h ARG 249 N 0.45 0.46 -0.88 0.00 1.12 -0.69 -2.61 114.38 112.22 3dfi h ARG 249 Ca 0.36 -0.03 0.12 0.00 -1.11 0.00 0.00 59.98 59.32 3dfi h ARG 249 Cb 0.48 -0.10 -0.07 0.00 -0.01 0.00 0.00 29.97 30.27 3dfi h ARG 249 CO -0.35 0.30 0.57 -0.91 -3.11 0.00 0.00 179.97 176.47 3dfi h ASN 250 N 0.47 0.72 1.22 -3.80 2.35 0.01 -1.24 115.58 115.32 3dfi h ASN 250 Ca 0.15 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3dfi h ASN 250 Cb -0.01 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3dfi h ASN 250 CO -0.06 0.40 -0.41 0.00 -1.65 0.00 0.00 177.43 175.71 3dfi h ALA 251 N 1.58 0.83 -1.17 -0.83 0.00 -1.17 -3.40 119.26 115.09 3dfi h ALA 251 Ca 0.42 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 3dfi h ALA 251 Cb 0.54 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.07 3dfi h ALA 251 CO -0.19 0.51 -0.53 0.00 0.00 0.00 0.00 179.25 179.04 3dfi s ALA 252 N -3.26 -1.78 0.62 0.00 0.00 -0.85 -5.05 121.76 111.45 3dfi s ALA 252 Ca 0.02 -0.47 0.33 0.00 0.00 0.00 0.00 51.96 51.85 3dfi s ALA 252 Cb 0.09 -2.59 1.85 0.00 0.00 0.00 0.00 23.12 22.47 3dfi s ALA 252 CO 0.71 -2.21 2.14 -1.35 0.00 0.00 0.00 175.76 175.05 3dfi h PRO 253 N 5.67 0.00 0.00 0.00 0.11 -1.48 -2.83 132.00 133.47 3dfi h PRO 253 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3dfi h PRO 253 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3dfi h PRO 253 CO 0.07 0.00 -1.11 -0.25 -0.21 0.00 0.00 178.00 176.50 3dfi n ASP 254 N -3.45 0.93 -1.24 -2.05 8.00 -1.26 -4.84 116.55 112.64 3dfi n ASP 254 Ca -0.00 -0.56 -0.02 0.00 0.71 0.00 0.00 54.79 54.92 3dfi n ASP 254 Cb 0.26 1.27 0.12 0.00 -0.02 0.00 0.00 41.12 42.76 3dfi n ASP 254 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dfi n GLY 255 N 1.44 4.53 1.84 0.44 0.00 -1.07 -5.12 105.19 107.25 3dfi n GLY 255 Ca 0.01 -1.53 0.06 0.00 0.00 0.00 0.00 46.02 44.56 3dfi n GLY 255 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfi n GLY 256 N -0.72 -2.03 3.77 -0.02 0.00 -1.26 -4.90 105.19 100.02 3dfi n GLY 256 Ca 0.22 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 3dfi n GLY 256 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dfi s TYR 257 N -1.19 2.79 0.09 1.61 5.04 -1.26 -4.82 117.35 119.61 3dfi s TYR 257 Ca 0.00 1.38 -0.24 0.00 -2.44 0.00 0.00 57.07 55.77 3dfi s TYR 257 Cb 0.00 -3.73 0.06 0.00 0.35 0.00 0.00 41.96 38.65 3dfi s TYR 257 CO 0.00 -2.22 0.58 0.54 -1.34 0.00 0.00 175.55 173.11 3dfi s ASN 258 N -0.63 -0.53 0.02 4.32 4.22 -1.26 -1.77 114.94 119.31 3dfi s ASN 258 Ca 0.56 0.15 0.03 0.00 -2.14 0.00 0.00 52.86 51.46 3dfi s ASN 258 Cb -0.40 0.56 -0.02 0.00 1.28 0.00 0.00 41.25 42.67 3dfi s ASN 258 CO 0.51 -0.84 -0.09 -1.61 -2.04 0.00 0.00 177.10 173.04 3dfi s GLU 259 N -2.98 0.64 -0.15 3.55 2.02 -0.91 -4.67 118.70 116.20 3dfi s GLU 259 Ca -0.03 -0.55 -0.07 0.00 0.02 0.00 0.00 54.97 54.34 3dfi s GLU 259 Cb -0.00 -0.56 -0.04 0.00 0.10 0.00 0.00 34.13 33.62 3dfi s GLU 259 CO -0.06 0.14 0.11 0.99 0.02 0.00 0.00 175.26 176.45 3dfi s THR 260 N -0.75 5.23 0.15 3.63 2.01 -1.26 -0.49 115.64 124.16 3dfi s THR 260 Ca -0.02 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.11 3dfi s THR 260 Cb -0.06 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 3dfi s THR 260 CO 0.00 0.54 -0.01 0.42 -0.69 0.00 0.00 174.62 174.89 3dfi s THR 261 N -0.39 0.59 0.02 -0.82 -4.23 -0.77 -1.61 115.64 108.44 3dfi s THR 261 Ca 0.11 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 58.71 3dfi s THR 261 Cb -0.12 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.71 3dfi s THR 261 CO 0.01 -0.58 -0.14 0.26 -0.54 0.00 0.00 174.62 173.64 3dfi s TRP 262 N -3.71 1.26 0.76 3.99 0.51 0.11 -0.59 118.94 121.27 3dfi s TRP 262 Ca 0.21 -0.32 -0.10 0.00 -2.12 0.00 0.00 56.10 53.77 3dfi s TRP 262 Cb 0.06 -0.77 0.06 0.00 -0.81 0.00 0.00 33.47 32.02 3dfi s TRP 262 CO 0.01 0.02 1.12 -1.25 -0.51 0.00 0.00 176.95 176.34 3dfi s PRO 263 N -0.90 2.18 -0.08 4.98 0.04 -1.26 -0.75 135.00 139.22 3dfi s PRO 263 Ca 0.03 0.07 0.05 0.00 0.04 0.00 0.00 61.00 61.19 3dfi s PRO 263 Cb -0.07 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 3dfi s PRO 263 CO 0.01 -1.40 -0.23 0.08 0.04 0.00 0.00 177.00 175.50 3dfi s VAL 264 N -3.45 1.91 -0.15 -0.36 1.01 -1.26 -0.31 120.40 117.80 3dfi s VAL 264 Ca 0.61 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 3dfi s VAL 264 Cb -0.11 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3dfi s VAL 264 CO 0.48 0.53 -0.08 0.27 0.00 0.00 0.00 175.10 176.31 3dfi s ILE 265 N 0.18 3.51 -0.69 2.22 -4.36 -0.45 -4.88 121.20 116.72 3dfi s ILE 265 Ca -0.12 -0.49 -0.16 0.00 -0.26 0.00 0.00 60.65 59.61 3dfi s ILE 265 Cb -0.16 -2.52 0.16 0.00 1.25 0.00 0.00 42.46 41.19 3dfi s ILE 265 CO 0.06 0.50 0.70 -0.60 0.24 0.00 0.00 174.94 175.85 3dfi s ARG 266 N 0.42 3.28 0.43 0.37 3.52 -1.26 -1.68 118.95 124.03 3dfi s ARG 266 Ca -0.06 -1.89 0.28 0.00 -0.13 0.00 0.00 55.73 53.92 3dfi s ARG 266 Cb -0.15 -4.40 0.89 0.00 -1.56 0.00 0.00 34.95 29.73 3dfi s ARG 266 CO 0.04 -1.41 1.79 0.10 -0.81 0.00 0.00 175.30 175.01 3dfi h TYR 267 N 8.56 0.00 -2.65 5.12 -0.00 -1.46 -3.45 116.97 123.09 3dfi h TYR 267 Ca -0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 58.50 3dfi h TYR 267 Cb 1.07 0.00 -0.27 0.00 -0.00 0.00 0.00 36.73 37.52 3dfi h TYR 267 CO 0.91 0.00 -0.35 0.00 -0.00 0.00 0.00 178.16 178.72 3dfi s ALA 268 N -3.39 -1.01 0.10 0.10 0.00 -1.04 -5.07 121.76 111.46 3dfi s ALA 268 Ca 0.05 1.44 0.07 0.00 0.00 0.00 0.00 51.96 53.52 3dfi s ALA 268 Cb 0.08 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3dfi s ALA 268 CO 0.57 -0.42 -0.11 0.00 0.00 0.00 0.00 175.76 175.80 3dfi s ALA 269 N 1.80 2.93 -2.29 0.00 0.00 -1.26 -4.41 121.76 118.54 3dfi s ALA 269 Ca -0.07 -1.24 0.30 0.00 0.00 0.00 0.00 51.96 50.95 3dfi s ALA 269 Cb -0.10 -0.89 1.41 0.00 0.00 0.00 0.00 23.12 23.54 3dfi s ALA 269 CO -0.12 0.64 1.95 -1.91 0.00 0.00 0.00 175.76 176.31