#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufa s ARG 3 N 0.00 3.63 -0.26 0.00 0.52 -0.20 -1.41 118.95 121.23 1ufa s ARG 3 Ca 0.00 -0.35 -0.03 0.00 -0.52 0.00 0.00 55.73 54.83 1ufa s ARG 3 Cb 0.00 -3.07 0.02 0.00 0.52 0.00 0.00 34.95 32.41 1ufa s ARG 3 CO 0.00 0.44 -0.02 0.12 0.02 0.00 0.00 175.30 175.86 1ufa s PHE 4 N -0.12 3.08 -0.46 -0.53 5.36 0.01 0.61 117.98 125.92 1ufa s PHE 4 Ca 0.06 -1.35 -0.08 0.00 -0.96 0.00 0.00 56.93 54.60 1ufa s PHE 4 Cb -0.12 -2.11 0.12 0.00 -0.34 0.00 0.00 43.02 40.56 1ufa s PHE 4 CO 0.01 -0.67 0.32 0.00 -1.46 0.00 0.00 175.22 173.42 1ufa s ALA 5 N 1.38 3.35 -0.06 11.12 0.00 -0.10 -1.04 121.76 136.41 1ufa s ALA 5 Ca 0.01 -2.54 -0.27 0.00 0.00 0.00 0.00 51.96 49.16 1ufa s ALA 5 Cb -0.17 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 1ufa s ALA 5 CO -0.03 -1.89 0.88 -1.17 0.00 0.00 0.00 175.76 173.55 1ufa s LEU 6 N 1.32 4.30 -0.21 0.00 2.96 -1.26 -1.84 118.68 123.94 1ufa s LEU 6 Ca 0.06 1.42 -0.01 0.00 -0.22 0.00 0.00 54.13 55.39 1ufa s LEU 6 Cb -0.26 -3.37 0.06 0.00 0.50 0.00 0.00 46.19 43.12 1ufa s LEU 6 CO -0.01 -0.27 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.03 1ufa s VAL 7 N 1.31 1.15 -0.20 1.68 1.01 -0.59 -0.45 120.40 124.31 1ufa s VAL 7 Ca 0.45 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 1ufa s VAL 7 Cb -0.19 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1ufa s VAL 7 CO 0.21 -0.10 0.10 -0.76 0.00 0.00 0.00 175.10 174.55 1ufa s LEU 8 N 1.57 3.96 -0.39 3.92 1.43 -0.00 -0.74 118.68 128.43 1ufa s LEU 8 Ca -0.03 0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1ufa s LEU 8 Cb -0.18 -2.02 0.08 0.00 0.03 0.00 0.00 46.19 44.10 1ufa s LEU 8 CO -0.07 0.14 0.18 -2.28 0.23 0.00 0.00 176.35 174.55 1ufa s HIS 9 N 0.59 3.42 -0.15 0.29 5.65 -0.20 0.20 115.29 125.09 1ufa s HIS 9 Ca 0.05 -1.96 -0.22 0.00 0.25 0.00 0.00 55.06 53.18 1ufa s HIS 9 Cb -0.12 -2.87 -0.03 0.00 -1.18 0.00 0.00 32.58 28.38 1ufa s HIS 9 CO 0.01 -0.89 0.67 0.00 -0.65 0.00 0.00 174.74 173.88 1ufa s ALA 10 N 1.27 3.48 -0.01 1.58 0.00 0.19 -0.91 121.76 127.37 1ufa s ALA 10 Ca 0.03 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.63 1ufa s ALA 10 Cb -0.22 -2.98 0.05 0.00 0.00 0.00 0.00 23.12 19.97 1ufa s ALA 10 CO -0.01 -0.42 0.53 -1.58 0.00 0.00 0.00 175.76 174.29 1ufa s HIS 11 N 1.57 -0.46 -0.28 0.00 5.65 -1.26 -1.93 115.29 118.58 1ufa s HIS 11 Ca 0.32 0.69 -0.19 0.00 0.25 0.00 0.00 55.06 56.13 1ufa s HIS 11 Cb -0.16 0.31 0.10 0.00 -1.18 0.00 0.00 32.58 31.65 1ufa s HIS 11 CO 0.12 -0.57 0.82 -1.17 -0.65 0.00 0.00 174.74 173.30 1ufa s LEU 12 N -1.49 -0.73 1.19 8.88 2.96 -1.26 -4.95 118.68 123.28 1ufa s LEU 12 Ca -0.10 1.23 -0.17 0.00 -0.22 0.00 0.00 54.13 54.88 1ufa s LEU 12 Cb -0.01 2.17 0.28 0.00 0.50 0.00 0.00 46.19 49.12 1ufa s LEU 12 CO 0.05 -0.20 1.06 -2.16 -1.32 0.00 0.00 176.35 173.77 1ufa s PRO 13 N 1.11 -1.10 -0.37 0.98 0.04 -1.26 -4.25 135.00 130.15 1ufa s PRO 13 Ca -0.06 0.25 -0.28 0.00 0.04 0.00 0.00 61.00 60.95 1ufa s PRO 13 Cb -0.05 -1.58 -0.01 0.00 0.04 0.00 0.00 34.50 32.90 1ufa s PRO 13 CO -0.13 -3.70 1.67 -0.47 0.04 0.00 0.00 177.00 174.41 1ufa s TYR 14 N -2.78 2.01 -0.12 0.56 5.04 -1.26 -4.78 117.35 116.02 1ufa s TYR 14 Ca 0.69 0.64 0.03 0.00 -2.44 0.00 0.00 57.07 55.98 1ufa s TYR 14 Cb -0.15 -4.19 -0.03 0.00 0.35 0.00 0.00 41.96 37.93 1ufa s TYR 14 CO 0.58 -2.61 0.11 1.33 -1.34 0.00 0.00 175.55 173.62 1ufa n VAL 15 N 7.29 0.00 -1.66 3.14 0.24 -1.26 -4.94 118.33 121.14 1ufa n VAL 15 Ca 0.21 -0.42 -0.47 0.00 -2.04 0.00 0.00 64.34 61.61 1ufa n VAL 15 Cb 0.47 0.97 -0.04 0.00 -1.47 0.00 0.00 33.84 33.77 1ufa n VAL 15 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1ufa n ARG 16 N -1.08 1.99 -1.25 7.34 0.63 -1.26 -1.56 116.66 121.46 1ufa n ARG 16 Ca 0.00 0.72 -0.09 0.00 -0.92 0.00 0.00 57.85 57.56 1ufa n ARG 16 Cb 0.04 -2.46 -0.04 0.00 0.45 0.00 0.00 32.46 30.45 1ufa n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ufa n ALA 17 N 3.24 -0.13 -1.92 5.13 0.00 -1.26 -4.88 120.51 120.70 1ufa n ALA 17 Ca 0.17 0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.61 1ufa n ALA 17 Cb 0.27 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.36 1ufa n ALA 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ufa n HIS 18 N -2.40 1.90 0.00 0.00 8.25 -0.60 -5.04 115.22 117.32 1ufa n HIS 18 Ca -0.09 -1.99 0.00 0.00 -0.26 0.00 0.00 57.72 55.38 1ufa n HIS 18 Cb 0.46 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1ufa n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ufa n GLY 19 N -0.82 -1.54 3.72 -1.41 0.00 -1.26 -4.86 105.19 99.02 1ufa n GLY 19 Ca 0.36 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 1ufa n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ufa s TRP 21 N 0.00 2.08 0.02 1.61 -0.00 -1.26 -1.25 118.94 120.14 1ufa s TRP 21 Ca 0.00 1.62 -0.26 0.00 -0.00 0.00 0.00 56.10 57.45 1ufa s TRP 21 Cb 0.00 -3.40 -0.16 0.00 -0.00 0.00 0.00 33.47 29.90 1ufa s TRP 21 CO 0.00 -2.50 1.29 -1.35 -0.00 0.00 0.00 176.95 174.39 1ufa h PRO 22 N -0.50 -0.54 -4.06 5.86 0.11 -2.01 -3.45 132.00 127.40 1ufa h PRO 22 Ca -0.47 0.04 -0.77 0.00 0.11 0.00 0.00 66.00 64.91 1ufa h PRO 22 Cb 1.28 0.12 -0.24 0.00 0.11 0.00 0.00 31.00 32.27 1ufa h PRO 22 CO 0.49 -0.24 -0.05 0.12 -0.21 0.00 0.00 178.00 178.11 1ufa s PHE 23 N -4.93 3.42 0.00 0.65 5.36 -1.26 -4.62 117.98 116.60 1ufa s PHE 23 Ca -0.15 -1.53 0.00 0.00 -0.96 0.00 0.00 56.93 54.29 1ufa s PHE 23 Cb 0.02 -3.83 0.00 0.00 -0.34 0.00 0.00 43.02 38.87 1ufa s PHE 23 CO 0.54 -1.04 0.00 0.41 -1.46 0.00 0.00 175.22 173.67 1ufa n GLY 24 N 4.78 3.68 0.31 13.12 0.00 -1.26 -4.94 105.19 120.87 1ufa n GLY 24 Ca -0.02 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.60 1ufa n GLY 24 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ufa h GLU 25 N 0.00 0.32 0.00 1.61 5.08 -1.32 -1.16 114.58 119.11 1ufa h GLU 25 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1ufa h GLU 25 Cb 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ufa h GLU 25 CO 0.00 0.21 -0.17 1.49 -1.00 0.00 0.00 179.01 179.54 1ufa h GLU 26 N 0.33 0.00 -0.44 2.33 4.81 -1.90 -0.90 114.58 118.81 1ufa h GLU 26 Ca 0.13 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1ufa h GLU 26 Cb 0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1ufa h GLU 26 CO -0.03 0.17 -0.03 1.15 -0.73 0.00 0.00 179.01 179.54 1ufa h THR 27 N 0.00 1.24 -0.15 0.32 2.02 -1.46 -0.67 112.91 114.20 1ufa h THR 27 Ca -0.00 -1.00 -0.21 0.00 0.77 0.00 0.00 66.41 65.97 1ufa h THR 27 Cb 0.30 0.94 0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1ufa h THR 27 CO 0.02 0.35 -0.74 0.25 0.37 0.00 0.00 175.52 175.77 1ufa h LEU 28 N 0.68 0.84 -0.76 2.58 5.85 -1.24 -2.86 115.31 120.40 1ufa h LEU 28 Ca 0.13 -0.53 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 1ufa h LEU 28 Cb 0.46 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1ufa h LEU 28 CO 0.02 1.32 0.21 1.88 -0.34 0.00 0.00 178.44 181.53 1ufa h TYR 29 N 0.49 1.19 -0.29 1.25 0.99 -0.87 -2.93 116.97 116.80 1ufa h TYR 29 Ca -0.04 -0.13 -0.02 0.00 2.00 0.00 0.00 58.73 60.54 1ufa h TYR 29 Cb 1.35 -0.34 -0.01 0.00 1.00 0.00 0.00 36.73 38.72 1ufa h TYR 29 CO 0.07 0.95 0.10 0.93 -0.00 0.00 0.00 178.16 180.21 1ufa h GLU 30 N 1.09 0.44 -1.34 4.88 5.08 -1.14 -2.01 114.58 121.59 1ufa h GLU 30 Ca 0.23 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1ufa h GLU 30 Cb 0.33 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ufa h GLU 30 CO -0.00 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.49 1ufa n ALA 31 N -2.28 1.40 0.00 3.43 0.00 -1.08 0.12 120.51 122.10 1ufa n ALA 31 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ufa n ALA 31 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1ufa n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ufa n ALA 33 N 0.81 0.00 0.00 0.00 0.00 -0.76 -0.01 120.51 120.56 1ufa n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ufa n ALA 33 Cb 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.37 1ufa n ALA 33 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ufa n GLU 34 N 0.00 0.64 0.01 0.00 1.02 0.12 -4.39 120.64 118.04 1ufa n GLU 34 Ca 0.00 0.11 -0.01 0.00 -0.02 0.00 0.00 57.16 57.24 1ufa n GLU 34 Cb 0.00 -1.71 -0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1ufa n GLU 34 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ufa n THR 35 N -2.76 0.90 0.01 2.62 -1.04 0.98 -4.24 114.28 110.76 1ufa n THR 35 Ca -0.13 0.28 -0.12 0.00 -2.04 0.00 0.00 64.05 62.04 1ufa n THR 35 Cb 0.84 -1.56 -0.07 0.00 -1.82 0.00 0.00 70.33 67.73 1ufa n THR 35 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1ufa h TYR 36 N -0.15 0.05 -0.37 -1.42 0.99 -1.58 -1.15 116.97 113.33 1ufa h TYR 36 Ca 0.00 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1ufa h TYR 36 Cb 0.15 -0.01 -0.02 0.00 1.00 0.00 0.00 36.73 37.85 1ufa h TYR 36 CO -0.06 0.16 0.11 -0.07 -0.00 0.00 0.00 178.16 178.29 1ufa h LEU 37 N -0.08 0.55 -1.15 3.88 3.38 -1.82 -1.09 115.31 118.98 1ufa h LEU 37 Ca 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1ufa h LEU 37 Cb 0.13 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1ufa h LEU 37 CO -0.00 0.61 0.38 -0.65 0.09 0.00 0.00 178.44 178.87 1ufa h PRO 38 N 0.45 0.97 -0.38 1.13 0.11 -1.75 -1.64 132.00 130.89 1ufa h PRO 38 Ca 0.12 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 1ufa h PRO 38 Cb 0.27 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 1ufa h PRO 38 CO -0.00 0.72 0.18 1.25 -0.21 0.00 0.00 178.00 179.93 1ufa h LEU 39 N 0.98 0.50 -1.27 2.35 5.85 -0.92 -1.48 115.31 121.32 1ufa h LEU 39 Ca 0.25 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1ufa h LEU 39 Cb 0.03 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1ufa h LEU 39 CO -0.04 0.49 0.51 0.40 -0.34 0.00 0.00 178.44 179.46 1ufa h ILE 40 N 0.47 1.13 -0.24 4.05 2.04 -0.78 -0.97 117.51 123.21 1ufa h ILE 40 Ca 0.13 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 1ufa h ILE 40 Cb 0.13 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1ufa h ILE 40 CO -0.02 0.17 -0.31 0.03 0.00 0.00 0.00 178.15 178.03 1ufa h ARG 41 N 0.96 0.48 -0.06 2.37 3.08 -0.68 0.19 114.38 120.72 1ufa h ARG 41 Ca 0.31 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1ufa h ARG 41 Cb 0.04 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1ufa h ARG 41 CO -0.09 0.74 0.02 0.28 -1.07 0.00 0.00 179.97 179.86 1ufa h VAL 42 N 0.42 1.15 -0.90 2.04 2.07 -0.27 -1.88 116.25 118.89 1ufa h VAL 42 Ca 0.05 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.17 1ufa h VAL 42 Cb 0.75 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 1ufa h VAL 42 CO 0.06 0.13 0.58 -0.07 0.02 0.00 0.00 177.57 178.29 1ufa h LEU 43 N -0.07 0.90 -0.48 2.57 3.38 -0.89 -1.18 115.31 119.53 1ufa h LEU 43 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1ufa h LEU 43 Cb 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ufa h LEU 43 CO -0.00 0.58 0.01 -0.33 0.09 0.00 0.00 178.44 178.79 1ufa h GLU 44 N 1.02 0.85 0.18 1.13 5.08 -0.74 -2.56 114.58 119.55 1ufa h GLU 44 Ca 0.38 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1ufa h GLU 44 Cb 0.19 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ufa h GLU 44 CO -0.14 0.89 -0.09 0.00 -1.00 0.00 0.00 179.01 178.67 1ufa h ARG 45 N 0.70 -0.24 -0.74 2.33 3.08 -0.64 -0.75 114.38 118.13 1ufa h ARG 45 Ca 0.14 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.32 1ufa h ARG 45 Cb 0.50 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 1ufa h ARG 45 CO 0.02 -0.01 0.49 -0.07 -1.07 0.00 0.00 179.97 179.34 1ufa h LEU 46 N -0.45 0.49 -0.11 3.04 4.07 -1.27 0.24 115.31 121.32 1ufa h LEU 46 Ca -0.03 0.02 -0.17 0.00 0.08 0.00 0.00 57.88 57.78 1ufa h LEU 46 Cb 0.34 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 42.01 1ufa h LEU 46 CO 0.04 0.27 -0.59 -0.09 -1.08 0.00 0.00 178.44 176.99 1ufa h ARG 47 N 0.53 0.60 -0.45 1.13 2.43 -1.29 0.16 114.38 117.50 1ufa h ARG 47 Ca 0.35 -0.50 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 1ufa h ARG 47 Cb 0.64 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1ufa h ARG 47 CO -0.12 1.12 -0.06 0.00 -1.51 0.00 0.00 179.97 179.39 1ufa h ALA 48 N 0.49 1.04 -0.14 2.80 0.00 0.09 -2.86 119.26 120.68 1ufa h ALA 48 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ufa h ALA 48 Cb 1.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ufa h ALA 48 CO 0.12 0.59 0.00 0.39 0.00 0.00 0.00 179.25 180.35 1ufa n GLU 49 N -4.19 1.82 -1.54 0.00 1.02 0.72 -4.94 120.64 113.54 1ufa n GLU 49 Ca 0.02 -1.23 -0.12 0.00 -0.02 0.00 0.00 57.16 55.81 1ufa n GLU 49 Cb 0.34 -1.43 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 1ufa n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ufa n GLY 50 N 1.19 0.97 3.67 0.62 0.00 -0.84 -4.97 105.19 105.83 1ufa n GLY 50 Ca 0.17 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1ufa n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ufa s VAL 51 N -2.47 4.36 -0.62 1.61 1.01 0.51 -4.99 120.40 119.80 1ufa s VAL 51 Ca 0.00 1.64 -0.16 0.00 0.00 0.00 0.00 61.98 63.47 1ufa s VAL 51 Cb 0.00 -4.06 0.15 0.00 0.00 0.00 0.00 36.38 32.47 1ufa s VAL 51 CO 0.00 -0.12 0.60 -1.61 0.00 0.00 0.00 175.10 173.97 1ufa s GLU 52 N 3.19 3.15 -0.47 2.72 2.02 -1.26 -4.67 118.70 123.38 1ufa s GLU 52 Ca 0.53 -1.84 0.06 0.00 0.02 0.00 0.00 54.97 53.74 1ufa s GLU 52 Cb -0.21 -4.34 0.22 0.00 0.10 0.00 0.00 34.13 29.90 1ufa s GLU 52 CO 0.15 -1.36 0.71 0.00 0.02 0.00 0.00 175.26 174.78 1ufa n ALA 53 N 5.11 -0.19 -1.79 5.21 0.00 -1.26 -4.39 120.51 123.20 1ufa n ALA 53 Ca -0.06 -1.94 -0.35 0.00 0.00 0.00 0.00 53.44 51.09 1ufa n ALA 53 Cb 0.42 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 1ufa n ALA 53 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ufa s PRO 54 N 0.26 3.75 0.28 0.00 0.04 -1.26 -4.98 135.00 133.08 1ufa s PRO 54 Ca 0.32 1.45 0.06 0.00 0.04 0.00 0.00 61.00 62.87 1ufa s PRO 54 Cb 0.14 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1ufa s PRO 54 CO -0.17 -0.49 0.24 1.97 0.04 0.00 0.00 177.00 178.60 1ufa n PHE 55 N -0.91 -0.70 -4.94 0.56 1.16 -1.24 -3.33 117.46 108.05 1ufa n PHE 55 Ca 0.09 -2.30 -0.33 0.00 -1.87 0.00 0.00 57.45 53.05 1ufa n PHE 55 Cb 0.52 0.26 -0.14 0.00 -1.61 0.00 0.00 39.48 38.51 1ufa n PHE 55 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1ufa s THR 56 N -3.10 2.91 -0.08 1.97 2.01 0.41 -1.38 115.64 118.38 1ufa s THR 56 Ca 0.32 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.57 1ufa s THR 56 Cb 0.01 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.40 1ufa s THR 56 CO 0.23 0.58 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.40 1ufa s LEU 57 N -0.59 1.63 -0.08 4.42 2.96 0.15 -0.82 118.68 126.34 1ufa s LEU 57 Ca 0.08 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1ufa s LEU 57 Cb -0.11 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.67 1ufa s LEU 57 CO 0.01 0.02 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.16 1ufa s GLY 58 N 0.77 1.68 -0.23 7.98 0.00 0.13 -1.25 107.32 116.40 1ufa s GLY 58 Ca -0.12 -0.89 -0.00 0.00 0.00 0.00 0.00 44.72 43.71 1ufa s GLY 58 CO 0.02 -0.55 -0.02 -0.42 0.00 0.00 0.00 173.10 172.14 1ufa s ILE 59 N -0.54 1.18 0.44 0.90 1.01 -1.21 0.56 121.20 123.53 1ufa s ILE 59 Ca 0.08 -1.03 -0.25 0.00 0.00 0.00 0.00 60.65 59.45 1ufa s ILE 59 Cb -0.12 -1.55 -0.09 0.00 0.01 0.00 0.00 42.46 40.71 1ufa s ILE 59 CO 0.02 -0.17 1.28 0.35 0.00 0.00 0.00 174.94 176.41 1ufa n THR 60 N 4.80 2.73 -0.27 2.92 -2.24 -0.81 -4.66 114.28 116.74 1ufa n THR 60 Ca -0.10 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.26 1ufa n THR 60 Cb 0.45 -1.58 0.22 0.00 -2.10 0.00 0.00 70.33 67.33 1ufa n THR 60 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ufa h PRO 61 N 1.98 0.38 0.00 -0.78 0.11 -1.76 0.11 132.00 132.04 1ufa h PRO 61 Ca -0.48 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1ufa h PRO 61 Cb 1.30 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ufa h PRO 61 CO 0.59 0.25 -0.22 0.97 -0.21 0.00 0.00 178.00 179.38 1ufa h ILE 62 N 0.39 1.07 -0.02 4.15 6.09 -1.36 -0.71 117.51 127.12 1ufa h ILE 62 Ca 0.46 -0.79 -0.06 0.00 -1.37 0.00 0.00 64.86 63.11 1ufa h ILE 62 Cb 0.79 1.43 0.00 0.00 0.47 0.00 0.00 36.82 39.52 1ufa h ILE 62 CO -0.47 0.22 -0.22 0.25 -3.07 0.00 0.00 178.15 174.86 1ufa h LEU 63 N 0.00 0.23 -1.23 2.19 5.85 -1.20 -3.08 115.31 118.07 1ufa h LEU 63 Ca -0.00 -0.71 0.05 0.00 0.84 0.00 0.00 57.88 58.05 1ufa h LEU 63 Cb 0.42 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1ufa h LEU 63 CO 0.03 0.91 0.54 0.00 -0.34 0.00 0.00 178.44 179.58 1ufa h ALA 64 N 0.32 1.55 -0.40 1.25 0.00 -0.92 -0.76 119.26 120.31 1ufa h ALA 64 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ufa h ALA 64 Cb 0.92 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ufa h ALA 64 CO 0.04 0.34 0.18 0.93 0.00 0.00 0.00 179.25 180.75 1ufa h GLU 65 N 0.96 0.55 0.23 0.00 4.39 -1.16 -1.60 114.58 117.96 1ufa h GLU 65 Ca 0.35 -0.06 -0.30 0.00 0.34 0.00 0.00 59.36 59.68 1ufa h GLU 65 Cb 0.14 -0.11 0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1ufa h GLU 65 CO -0.12 0.44 -1.32 1.96 -1.16 0.00 0.00 179.01 178.81 1ufa h GLN 66 N 0.55 0.48 -0.51 2.33 4.20 -1.17 -3.15 115.11 117.85 1ufa h GLN 66 Ca 0.14 -0.82 0.02 0.00 0.06 0.00 0.00 58.65 58.05 1ufa h GLN 66 Cb 0.08 0.31 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1ufa h GLN 66 CO -0.02 1.39 0.34 -0.07 -0.67 0.00 0.00 178.83 179.80 1ufa h LEU 67 N 0.01 0.52 -1.15 1.46 3.38 -0.95 -0.87 115.31 117.72 1ufa h LEU 67 Ca -0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1ufa h LEU 67 Cb 2.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1ufa h LEU 67 CO 0.24 0.37 0.00 0.00 0.09 0.00 0.00 178.44 179.14 1ufa n ALA 68 N -2.47 2.49 -2.26 1.53 0.00 -0.62 -4.59 120.51 114.59 1ufa n ALA 68 Ca 0.05 -0.55 -0.39 0.00 0.00 0.00 0.00 53.44 52.55 1ufa n ALA 68 Cb 0.11 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 1ufa n ALA 68 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ufa s ASP 69 N -1.36 7.19 0.19 0.00 -1.08 -0.33 -4.99 116.67 116.30 1ufa s ASP 69 Ca 0.29 1.42 -0.12 0.00 -0.52 0.00 0.00 52.55 53.62 1ufa s ASP 69 Cb 0.15 -2.44 0.14 0.00 -1.46 0.00 0.00 42.92 39.32 1ufa s ASP 69 CO 0.22 0.14 1.83 0.00 0.52 0.00 0.00 175.17 177.89 1ufa h ALA 70 N 5.01 0.78 -0.45 3.66 0.00 -1.91 -0.32 119.26 126.03 1ufa h ALA 70 Ca -0.46 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1ufa h ALA 70 Cb 1.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1ufa h ALA 70 CO 0.68 0.10 0.10 -0.09 0.00 0.00 0.00 179.25 180.03 1ufa h ARG 71 N 0.72 0.72 -0.48 0.00 2.43 -1.94 -1.54 114.38 114.30 1ufa h ARG 71 Ca 0.24 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1ufa h ARG 71 Cb 0.02 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1ufa h ARG 71 CO -0.10 0.73 0.10 0.82 -1.51 0.00 0.00 179.97 180.01 1ufa h ILE 72 N 0.59 1.24 -0.20 1.20 1.08 -1.75 0.21 117.51 119.89 1ufa h ILE 72 Ca 0.14 -0.87 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 1ufa h ILE 72 Cb 0.34 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 1ufa h ILE 72 CO 0.00 0.31 0.09 0.11 -0.69 0.00 0.00 178.15 177.98 1ufa h LYS 73 N 0.66 0.20 -0.67 2.37 1.57 -0.93 0.39 116.57 120.16 1ufa h LYS 73 Ca 0.15 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1ufa h LYS 73 Cb 0.36 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1ufa h LYS 73 CO 0.01 0.13 0.10 1.49 -0.57 0.00 0.00 179.45 180.60 1ufa h GLU 74 N 0.20 1.12 -0.78 3.15 4.57 -1.15 -2.03 114.58 119.67 1ufa h GLU 74 Ca 0.08 -0.31 -0.03 0.00 -1.18 0.00 0.00 59.36 57.92 1ufa h GLU 74 Cb 0.02 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 1ufa h GLU 74 CO -0.06 1.03 0.36 0.78 -1.18 0.00 0.00 179.01 179.94 1ufa h GLY 75 N 1.04 1.21 1.06 1.92 0.00 -0.01 -1.86 103.07 106.43 1ufa h GLY 75 Ca 0.20 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1ufa h GLY 75 CO 0.02 0.58 0.18 -2.75 0.00 0.00 0.00 176.54 174.56 1ufa h PHE 76 N 1.10 1.19 -0.50 5.60 3.57 0.02 -1.02 116.94 126.89 1ufa h PHE 76 Ca 0.26 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1ufa h PHE 76 Cb 0.14 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 1ufa h PHE 76 CO 0.01 0.97 0.31 2.35 -2.23 0.00 0.00 178.31 179.72 1ufa h TRP 77 N 1.08 0.58 -0.55 0.41 2.91 -0.93 0.13 115.95 119.57 1ufa h TRP 77 Ca 0.22 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.16 1ufa h TRP 77 Cb 0.37 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.81 1ufa h TRP 77 CO 0.03 0.34 -0.06 0.00 -1.03 0.00 0.00 178.44 177.72 1ufa h ALA 78 N 1.21 0.85 0.11 2.65 0.00 -1.15 -1.81 119.26 121.13 1ufa h ALA 78 Ca 0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ufa h ALA 78 Cb -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ufa h ALA 78 CO -0.08 0.66 -0.07 -0.92 0.00 0.00 0.00 179.25 178.84 1ufa h TYR 79 N 0.90 -0.19 -0.72 0.00 3.20 -0.43 -0.63 116.97 119.10 1ufa h TYR 79 Ca 0.15 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1ufa h TYR 79 Cb 0.60 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 1ufa h TYR 79 CO 0.04 -0.11 0.38 0.00 -1.64 0.00 0.00 178.16 176.83 1ufa h ALA 80 N 0.71 0.93 -0.38 1.82 0.00 -0.69 -0.33 119.26 121.32 1ufa h ALA 80 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1ufa h ALA 80 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1ufa h ALA 80 CO 0.00 0.46 0.18 -0.22 0.00 0.00 0.00 179.25 179.67 1ufa h LYS 81 N 1.00 0.55 -0.76 0.00 3.64 -1.16 -0.81 116.57 119.02 1ufa h LYS 81 Ca 0.25 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1ufa h LYS 81 Cb 0.06 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1ufa h LYS 81 CO -0.04 0.49 0.37 0.22 -2.27 0.00 0.00 179.45 178.23 1ufa h ASP 82 N 0.47 0.99 -0.77 4.20 3.58 -0.78 -2.34 116.42 121.76 1ufa h ASP 82 Ca 0.13 -0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1ufa h ASP 82 Cb 0.13 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 1ufa h ASP 82 CO -0.02 0.84 0.26 0.03 -2.88 0.00 0.00 179.24 177.48 1ufa h ARG 83 N 1.06 1.18 -0.37 0.28 2.47 -0.71 -1.61 114.38 116.69 1ufa h ARG 83 Ca 0.26 -0.24 0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1ufa h ARG 83 Cb 0.11 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 1ufa h ARG 83 CO -0.03 0.99 0.23 1.25 0.56 0.00 0.00 179.97 182.96 1ufa h LEU 84 N 1.14 0.38 -1.28 3.04 5.85 -0.87 0.33 115.31 123.91 1ufa h LEU 84 Ca 0.25 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1ufa h LEU 84 Cb 0.28 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1ufa h LEU 84 CO -0.01 0.28 0.42 -0.33 -0.34 0.00 0.00 178.44 178.45 1ufa h GLU 85 N 0.47 0.91 -0.11 1.25 5.08 -1.09 0.12 114.58 121.21 1ufa h GLU 85 Ca 0.14 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 1ufa h GLU 85 Cb -0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1ufa h GLU 85 CO -0.05 0.63 -0.45 0.00 -1.00 0.00 0.00 179.01 178.13 1ufa h ARG 86 N 0.93 0.25 -0.15 2.33 3.08 -0.65 -1.65 114.38 118.52 1ufa h ARG 86 Ca 0.24 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1ufa h ARG 86 Cb -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1ufa h ARG 86 CO -0.05 0.66 -0.25 0.00 -1.07 0.00 0.00 179.97 179.26 1ufa h ALA 87 N 1.32 0.24 -0.62 0.04 0.00 0.35 -1.80 119.26 118.79 1ufa h ALA 87 Ca 0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1ufa h ALA 87 Cb 0.88 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1ufa h ALA 87 CO 0.07 0.22 0.30 1.96 0.00 0.00 0.00 179.25 181.80 1ufa h GLN 88 N 0.06 0.87 -0.37 0.00 4.20 -0.72 -0.97 115.11 118.19 1ufa h GLN 88 Ca 0.01 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.48 1ufa h GLN 88 Cb 0.83 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1ufa h GLN 88 CO 0.06 0.68 -0.28 0.78 -0.67 0.00 0.00 178.83 179.39 1ufa h GLY 89 N 0.96 0.86 1.65 3.46 0.00 -1.24 -2.84 103.07 105.93 1ufa h GLY 89 Ca 0.22 -0.78 -0.11 0.00 0.00 0.00 0.00 47.33 46.66 1ufa h GLY 89 CO -0.03 0.71 -0.37 -0.55 0.00 0.00 0.00 176.54 176.30 1ufa h ASP 90 N 0.68 0.40 -0.23 0.19 5.19 -0.67 -2.11 116.42 119.87 1ufa h ASP 90 Ca 0.08 -0.16 -0.07 0.00 -0.62 0.00 0.00 57.03 56.26 1ufa h ASP 90 Cb 0.81 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 1ufa h ASP 90 CO 0.07 0.74 -0.07 0.22 -3.12 0.00 0.00 179.24 177.08 1ufa h TYR 91 N 0.33 0.62 0.01 4.55 3.20 -1.04 0.18 116.97 124.82 1ufa h TYR 91 Ca 0.04 -0.09 -0.22 0.00 3.14 0.00 0.00 58.73 61.60 1ufa h TYR 91 Cb 0.80 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 1ufa h TYR 91 CO 0.02 0.65 -0.94 1.96 -1.64 0.00 0.00 178.16 178.21 1ufa h GLN 92 N 0.55 0.35 -0.19 1.82 1.08 -1.29 -0.65 115.11 116.78 1ufa h GLN 92 Ca 0.10 -0.39 -0.13 0.00 -1.45 0.00 0.00 58.65 56.78 1ufa h GLN 92 Cb 0.46 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1ufa h GLN 92 CO 0.02 1.08 -0.39 0.00 -0.95 0.00 0.00 178.83 178.59 1ufa h ARG 93 N 0.20 0.61 -0.15 1.46 3.08 -1.10 -3.32 114.38 115.15 1ufa h ARG 93 Ca -0.07 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1ufa h ARG 93 Cb 1.58 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.68 1ufa h ARG 93 CO 0.16 1.01 0.00 0.66 -1.07 0.00 0.00 179.97 180.72 1ufa n TYR 94 N -4.26 0.17 -1.69 3.04 0.53 0.59 -4.95 117.16 110.60 1ufa n TYR 94 Ca -0.06 -0.09 -0.44 0.00 -1.02 0.00 0.00 57.90 56.30 1ufa n TYR 94 Cb 0.53 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.82 1ufa n TYR 94 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 1ufa n ARG 95 N 1.04 2.15 -0.95 -0.72 0.63 -0.25 -0.99 116.66 117.57 1ufa n ARG 95 Ca 0.17 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 1ufa n ARG 95 Cb 0.52 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 31.01 1ufa n ARG 95 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ufa n GLY 96 N 1.81 0.70 3.89 5.14 0.00 -1.26 -4.98 105.19 110.48 1ufa n GLY 96 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1ufa n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ufa s THR 97 N -2.96 1.53 -0.04 2.61 -4.23 -0.16 -5.01 115.64 107.38 1ufa s THR 97 Ca 0.00 -1.56 0.30 0.00 -1.18 0.00 0.00 61.69 59.25 1ufa s THR 97 Cb 0.00 -2.09 0.33 0.00 1.34 0.00 0.00 72.50 72.08 1ufa s THR 97 CO 0.00 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 175.99 1ufa h ALA 98 N 0.80 1.00 -0.24 3.99 0.00 -1.95 -2.37 119.26 120.49 1ufa h ALA 98 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ufa h ALA 98 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ufa h ALA 98 CO 0.59 0.00 0.00 1.28 0.00 0.00 0.00 179.25 181.12 1ufa n LEU 99 N -2.68 2.83 0.19 0.00 4.77 -1.26 -4.51 117.00 116.34 1ufa n LEU 99 Ca 0.00 -1.14 -0.15 0.00 -0.03 0.00 0.00 56.01 54.69 1ufa n LEU 99 Cb 0.20 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1ufa n LEU 99 CO 0.21 0.57 0.76 -0.08 -1.33 0.00 0.00 177.39 177.52 1ufa h GLU 100 N 3.88 -0.43 -0.79 3.23 4.81 -1.41 -0.98 114.58 122.89 1ufa h GLU 100 Ca 0.00 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.38 1ufa h GLU 100 Cb 0.84 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.24 1ufa h GLU 100 CO 0.00 -0.28 0.40 0.00 -0.73 0.00 0.00 179.01 178.40 1ufa h ALA 101 N 0.25 1.15 -0.61 2.92 0.00 -1.81 0.20 119.26 121.35 1ufa h ALA 101 Ca -0.04 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1ufa h ALA 101 Cb 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ufa h ALA 101 CO 0.05 -0.06 0.01 1.03 0.00 0.00 0.00 179.25 180.29 1ufa h SER 102 N 0.63 1.05 -0.62 0.00 0.87 -1.67 -1.78 113.55 112.02 1ufa h SER 102 Ca 0.41 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 1ufa h SER 102 Cb 0.52 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1ufa h SER 102 CO -0.32 1.09 0.07 0.00 -0.53 0.00 0.00 176.83 177.14 1ufa h ALA 103 N 0.99 0.83 -0.40 6.23 0.00 0.26 -1.53 119.26 125.64 1ufa h ALA 103 Ca 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ufa h ALA 103 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ufa h ALA 103 CO 0.03 0.61 0.17 0.00 0.00 0.00 0.00 179.25 180.06 1ufa h ARG 104 N 0.95 0.59 -0.60 0.00 3.08 -0.54 -2.38 114.38 115.48 1ufa h ARG 104 Ca 0.18 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.19 1ufa h ARG 104 Cb 0.48 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1ufa h ARG 104 CO 0.02 0.55 0.31 1.25 -1.07 0.00 0.00 179.97 181.03 1ufa h HIS 105 N 0.50 0.56 -0.50 3.04 2.76 -1.04 -1.39 115.15 119.07 1ufa h HIS 105 Ca 0.13 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.37 1ufa h HIS 105 Cb 0.17 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 28.93 1ufa h HIS 105 CO -0.00 0.25 0.25 1.96 -1.30 0.00 0.00 177.93 179.09 1ufa h GLN 106 N 0.57 0.47 0.25 5.26 1.08 -1.00 0.14 115.11 121.89 1ufa h GLN 106 Ca 0.27 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.44 1ufa h GLN 106 Cb 0.20 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1ufa h GLN 106 CO -0.19 0.31 -0.14 0.28 -0.95 0.00 0.00 178.83 178.14 1ufa h VAL 107 N 0.49 0.70 -0.76 -0.54 2.07 -0.87 -1.50 116.25 115.84 1ufa h VAL 107 Ca 0.22 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.81 1ufa h VAL 107 Cb 0.13 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1ufa h VAL 107 CO -0.16 0.00 0.44 0.00 0.02 0.00 0.00 177.57 177.87 1ufa h ALA 108 N 0.37 1.04 0.01 1.67 0.00 -0.97 -0.89 119.26 120.49 1ufa h ALA 108 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ufa h ALA 108 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ufa h ALA 108 CO 0.03 0.13 -0.02 0.35 0.00 0.00 0.00 179.25 179.74 1ufa h PHE 109 N 0.80 -0.06 -0.12 0.00 3.57 -0.42 -1.57 116.94 119.14 1ufa h PHE 109 Ca 0.34 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.73 1ufa h PHE 109 Cb 0.21 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1ufa h PHE 109 CO -0.06 -0.04 -0.42 -1.49 -2.23 0.00 0.00 178.31 174.07 1ufa h TRP 110 N -0.05 0.30 -0.04 0.41 4.06 -1.02 0.51 115.95 120.12 1ufa h TRP 110 Ca 0.01 -0.08 -0.00 0.00 2.06 0.00 0.00 58.89 60.87 1ufa h TRP 110 Cb 0.06 -0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 28.15 1ufa h TRP 110 CO -0.09 0.64 0.02 0.93 -3.56 0.00 0.00 178.44 176.37 1ufa h GLU 111 N 0.22 0.06 -0.73 0.49 5.08 -1.01 -0.40 114.58 118.30 1ufa h GLU 111 Ca 0.02 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1ufa h GLU 111 Cb 0.83 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1ufa h GLU 111 CO 0.07 0.17 0.48 1.25 -1.00 0.00 0.00 179.01 179.98 1ufa h LEU 112 N -0.06 0.84 -0.06 1.33 5.85 -1.04 -1.47 115.31 120.70 1ufa h LEU 112 Ca 0.01 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ufa h LEU 112 Cb 0.13 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1ufa h LEU 112 CO -0.00 0.60 -0.07 0.74 -0.34 0.00 0.00 178.44 179.37 1ufa h THR 113 N 0.99 0.80 -0.35 1.05 2.02 -0.55 0.26 112.91 117.12 1ufa h THR 113 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 1ufa h THR 113 Cb -0.11 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1ufa h THR 113 CO -0.06 0.00 0.15 -0.07 0.37 0.00 0.00 175.52 175.91 1ufa h LEU 114 N -0.10 0.48 -0.49 2.58 3.38 -0.86 -0.18 115.31 120.12 1ufa h LEU 114 Ca 0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1ufa h LEU 114 Cb 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1ufa h LEU 114 CO -0.12 0.51 0.24 -0.78 0.09 0.00 0.00 178.44 178.38 1ufa h ASP 115 N 0.43 0.64 -0.12 -0.43 3.58 -1.06 -0.24 116.42 119.21 1ufa h ASP 115 Ca 0.12 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1ufa h ASP 115 Cb 0.17 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ufa h ASP 115 CO -0.01 0.59 -0.01 -0.74 -2.88 0.00 0.00 179.24 176.18 1ufa h HIS 116 N 0.65 0.25 -0.70 0.28 2.76 -0.39 -0.60 115.15 117.40 1ufa h HIS 116 Ca 0.17 -0.05 0.07 0.00 -2.20 0.00 0.00 60.37 58.36 1ufa h HIS 116 Cb 0.12 -0.06 -0.06 0.00 1.55 0.00 0.00 27.41 28.95 1ufa h HIS 116 CO -0.01 0.49 0.38 0.35 -1.30 0.00 0.00 177.93 177.85 1ufa h PHE 117 N -0.06 0.70 -0.63 5.26 3.57 -0.93 -1.45 116.94 123.39 1ufa h PHE 117 Ca 0.03 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1ufa h PHE 117 Cb 0.40 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1ufa h PHE 117 CO 0.04 0.31 0.09 1.96 -2.23 0.00 0.00 178.31 178.48 1ufa h GLN 118 N 0.69 1.06 0.00 1.11 4.20 -0.91 0.29 115.11 121.55 1ufa h GLN 118 Ca 0.32 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1ufa h GLN 118 Cb 0.24 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1ufa h GLN 118 CO -0.21 0.99 -0.13 0.00 -0.67 0.00 0.00 178.83 178.81 1ufa h ARG 119 N 0.97 0.00 -0.38 1.46 3.08 -0.36 -1.81 114.38 117.34 1ufa h ARG 119 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1ufa h ARG 119 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1ufa h ARG 119 CO 0.02 0.13 0.00 1.28 -1.07 0.00 0.00 179.97 180.33 1ufa n LEU 120 N -3.40 2.39 -2.36 3.04 4.77 -0.62 -4.89 117.00 115.93 1ufa n LEU 120 Ca -0.01 -1.13 -0.20 0.00 -0.03 0.00 0.00 56.01 54.64 1ufa n LEU 120 Cb 0.32 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1ufa n LEU 120 CO 0.30 0.57 -0.26 -1.20 -1.33 0.00 0.00 177.39 175.47 1ufa n SER 121 N 0.80 -5.81 -1.82 -1.43 7.64 -0.68 -1.80 113.62 110.51 1ufa n SER 121 Ca 0.16 0.02 -0.19 0.00 1.01 0.00 0.00 58.87 59.87 1ufa n SER 121 Cb 0.40 -4.86 -0.06 0.00 -1.01 0.00 0.00 64.21 58.69 1ufa n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufa n GLY 122 N -0.98 1.06 3.10 0.23 0.00 1.00 -4.94 105.19 104.66 1ufa n GLY 122 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1ufa n GLY 122 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ufa s ASP 123 N -2.42 5.22 0.22 1.61 -1.08 -0.74 -4.89 116.67 114.59 1ufa s ASP 123 Ca 0.00 -2.73 -0.05 0.00 -0.52 0.00 0.00 52.55 49.25 1ufa s ASP 123 Cb 0.00 -1.85 0.19 0.00 -1.46 0.00 0.00 42.92 39.80 1ufa s ASP 123 CO 0.00 -0.39 1.66 -0.07 0.52 0.00 0.00 175.17 176.89 1ufa h LEU 124 N 7.18 0.85 -1.03 -1.34 4.07 -1.86 -2.92 115.31 120.25 1ufa h LEU 124 Ca -0.03 -0.27 0.02 0.00 0.08 0.00 0.00 57.88 57.68 1ufa h LEU 124 Cb 0.97 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 42.42 1ufa h LEU 124 CO 0.71 0.98 0.65 0.58 -1.08 0.00 0.00 178.44 180.29 1ufa h VAL 125 N 0.76 1.22 -0.78 1.22 2.07 -1.92 -1.72 116.25 117.11 1ufa h VAL 125 Ca 0.12 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1ufa h VAL 125 Cb 0.64 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1ufa h VAL 125 CO 0.04 0.24 0.29 0.00 0.02 0.00 0.00 177.57 178.16 1ufa h ALA 126 N 1.40 1.04 -0.57 1.67 0.00 -1.87 -1.14 119.26 119.79 1ufa h ALA 126 Ca 0.37 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1ufa h ALA 126 Cb -0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1ufa h ALA 126 CO -0.09 0.67 0.08 0.00 0.00 0.00 0.00 179.25 179.90 1ufa h ALA 127 N 1.17 0.75 -0.50 0.00 0.00 -1.19 -0.46 119.26 119.03 1ufa h ALA 127 Ca 0.26 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ufa h ALA 127 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ufa h ALA 127 CO -0.02 0.51 -0.02 0.74 0.00 0.00 0.00 179.25 180.47 1ufa h PHE 128 N 0.84 0.92 -0.63 0.00 0.05 -1.13 -0.12 116.94 116.86 1ufa h PHE 128 Ca 0.17 -0.14 -0.01 0.00 3.82 0.00 0.00 57.97 61.81 1ufa h PHE 128 Cb 0.44 -0.25 -0.03 0.00 2.00 0.00 0.00 35.95 38.11 1ufa h PHE 128 CO 0.03 0.85 0.35 -0.09 -0.18 0.00 0.00 178.31 179.27 1ufa h ARG 129 N 0.79 0.88 -0.60 1.51 2.43 -0.85 -0.90 114.38 117.65 1ufa h ARG 129 Ca 0.15 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1ufa h ARG 129 Cb 0.50 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1ufa h ARG 129 CO 0.03 0.67 0.29 -0.22 -1.51 0.00 0.00 179.97 179.22 1ufa h LYS 130 N 0.86 0.86 -0.50 0.20 3.64 -0.41 -1.00 116.57 120.22 1ufa h LYS 130 Ca 0.22 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1ufa h LYS 130 Cb 0.04 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1ufa h LYS 130 CO -0.04 0.69 0.27 0.00 -2.27 0.00 0.00 179.45 178.11 1ufa h ALA 131 N 1.12 0.65 -0.89 5.00 0.00 -0.63 -0.85 119.26 123.67 1ufa h ALA 131 Ca 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ufa h ALA 131 Cb 0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1ufa h ALA 131 CO -0.03 0.18 0.47 1.49 0.00 0.00 0.00 179.25 181.36 1ufa h GLU 132 N 0.67 1.25 -0.57 0.00 4.22 -0.89 -1.28 114.58 117.98 1ufa h GLU 132 Ca 0.18 -0.16 0.02 0.00 0.08 0.00 0.00 59.36 59.48 1ufa h GLU 132 Cb 0.06 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1ufa h GLU 132 CO -0.03 0.93 0.38 1.49 -2.18 0.00 0.00 179.01 179.60 1ufa h GLU 133 N 1.25 0.69 0.00 1.92 4.81 -0.59 0.28 114.58 122.94 1ufa h GLU 133 Ca 0.31 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1ufa h GLU 133 Cb 0.05 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1ufa h GLU 133 CO -0.05 0.46 0.00 0.41 -0.73 0.00 0.00 179.01 179.10 1ufa n GLY 134 N -1.46 -1.56 1.73 1.92 0.00 -0.38 -4.90 105.19 100.53 1ufa n GLY 134 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ufa n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufa n GLY 135 N 1.07 0.79 0.24 -0.02 0.00 0.09 -4.92 105.19 102.43 1ufa n GLY 135 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.23 1ufa n GLY 135 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ufa h GLN 136 N 3.70 0.00 -2.58 1.61 1.08 -1.70 -3.45 115.11 113.77 1ufa h GLN 136 Ca 0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 1ufa h GLN 136 Cb 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.27 1ufa h GLN 136 CO 0.00 0.00 0.12 0.54 -0.95 0.00 0.00 178.83 178.54 1ufa s VAL 137 N -3.62 0.01 -0.14 -0.54 0.11 -1.25 -3.64 120.40 111.33 1ufa s VAL 137 Ca 0.01 -0.11 -0.05 0.00 -2.93 0.00 0.00 61.98 58.90 1ufa s VAL 137 Cb 0.09 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1ufa s VAL 137 CO 0.46 -0.06 0.03 -0.70 -3.33 0.00 0.00 175.10 171.50 1ufa s GLU 138 N -2.35 3.50 -0.15 1.54 2.12 -0.48 -4.24 118.70 118.63 1ufa s GLU 138 Ca -0.06 -0.38 -0.07 0.00 0.36 0.00 0.00 54.97 54.83 1ufa s GLU 138 Cb -0.01 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 1ufa s GLU 138 CO -0.01 0.48 0.10 -0.51 -0.54 0.00 0.00 175.26 174.78 1ufa s LEU 139 N -0.24 4.08 0.22 2.70 1.43 -1.26 0.30 118.68 125.91 1ufa s LEU 139 Ca 0.07 0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.52 1ufa s LEU 139 Cb -0.12 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 1ufa s LEU 139 CO 0.02 0.29 -0.16 0.27 0.23 0.00 0.00 176.35 177.00 1ufa s ILE 140 N -0.31 1.91 0.00 -0.59 -4.36 -0.38 -4.74 121.20 112.73 1ufa s ILE 140 Ca 0.10 -2.24 0.00 0.00 -0.26 0.00 0.00 60.65 58.24 1ufa s ILE 140 Cb -0.12 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.50 1ufa s ILE 140 CO 0.01 -0.54 0.00 1.07 0.24 0.00 0.00 174.94 175.72 1ufa n THR 141 N -0.40 0.00 -3.12 8.37 5.66 -1.10 -3.35 114.28 120.33 1ufa n THR 141 Ca -0.08 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1ufa n THR 141 Cb 0.60 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 1ufa n THR 141 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ufa n SER 142 N -1.67 -0.00 -4.75 1.09 2.88 -1.26 -0.65 113.62 109.25 1ufa n SER 142 Ca 0.00 -1.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.13 1ufa n SER 142 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1ufa n SER 142 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1ufa s ASN 143 N -1.00 6.53 0.14 -3.46 0.02 -1.26 -4.27 114.94 111.64 1ufa s ASN 143 Ca 0.00 2.80 -0.16 0.00 -1.02 0.00 0.00 52.86 54.49 1ufa s ASN 143 Cb -0.00 -2.63 0.07 0.00 0.02 0.00 0.00 41.25 38.71 1ufa s ASN 143 CO 0.00 -0.78 1.05 0.00 0.02 0.00 0.00 177.10 177.39 1ufa n ALA 144 N 1.97 -0.23 -1.34 0.60 0.00 -0.09 -1.38 120.51 120.04 1ufa n ALA 144 Ca 0.06 0.64 0.06 0.00 0.00 0.00 0.00 53.44 54.20 1ufa n ALA 144 Cb 0.39 -0.21 0.19 0.00 0.00 0.00 0.00 19.45 19.82 1ufa n ALA 144 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ufa n THR 145 N -4.94 2.15 -3.42 0.00 -2.24 -1.26 -1.04 114.28 103.54 1ufa n THR 145 Ca 0.05 -2.72 -0.19 0.00 -2.27 0.00 0.00 64.05 58.91 1ufa n THR 145 Cb 0.23 -0.25 0.08 0.00 -2.10 0.00 0.00 70.33 68.28 1ufa n THR 145 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ufa n HIS 146 N -1.18 -2.38 -2.11 4.78 -0.00 -0.48 -4.16 115.22 109.69 1ufa n HIS 146 Ca 0.20 0.89 -0.35 0.00 0.46 0.00 0.00 57.72 58.93 1ufa n HIS 146 Cb 0.74 -4.70 0.02 0.00 -0.12 0.00 0.00 29.99 25.92 1ufa n HIS 146 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1ufa s GLY 147 N -3.64 2.54 -0.93 1.57 0.00 -1.26 -2.13 107.32 103.48 1ufa s GLY 147 Ca 0.33 0.79 -0.24 0.00 0.00 0.00 0.00 44.72 45.61 1ufa s GLY 147 CO 0.66 1.15 1.38 -0.47 0.00 0.00 0.00 173.10 175.82 1ufa s TYR 148 N -1.87 2.49 0.18 1.90 5.04 -1.26 -4.68 117.35 119.16 1ufa s TYR 148 Ca 0.72 -0.65 -0.19 0.00 -2.44 0.00 0.00 57.07 54.52 1ufa s TYR 148 Cb -0.24 -4.65 0.12 0.00 0.35 0.00 0.00 41.96 37.53 1ufa s TYR 148 CO 0.31 -1.95 1.32 0.43 -1.34 0.00 0.00 175.55 174.32 1ufa n SER 149 N 8.88 -0.67 -0.10 4.32 7.64 -1.26 -1.96 113.62 130.48 1ufa n SER 149 Ca 0.24 1.50 0.09 0.00 1.01 0.00 0.00 58.87 61.71 1ufa n SER 149 Cb 0.50 -0.29 0.44 0.00 -1.01 0.00 0.00 64.21 63.85 1ufa n SER 149 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1ufa h PRO 150 N 0.00 0.52 -0.01 1.43 0.11 -1.88 -3.08 132.00 129.09 1ufa h PRO 150 Ca 0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1ufa h PRO 150 Cb 0.46 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1ufa h PRO 150 CO -0.83 0.35 -0.58 1.28 -0.21 0.00 0.00 178.00 178.01 1ufa n LEU 151 N -4.48 1.09 -4.74 2.35 4.77 -0.83 -4.92 117.00 110.25 1ufa n LEU 151 Ca 0.09 -0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.29 1ufa n LEU 151 Cb 0.28 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1ufa n LEU 151 CO 0.34 0.23 1.25 0.18 -1.33 0.00 0.00 177.39 178.05 1ufa n LEU 152 N -0.99 4.27 0.19 2.23 4.77 -1.13 -4.88 117.00 121.47 1ufa n LEU 152 Ca 0.07 1.14 0.05 0.00 -0.03 0.00 0.00 56.01 57.25 1ufa n LEU 152 Cb 0.37 -1.58 0.39 0.00 -2.33 0.00 0.00 43.42 40.26 1ufa n LEU 152 CO 0.34 0.12 0.72 1.23 -1.33 0.00 0.00 177.39 178.47 1ufa h GLY 153 N 4.95 0.00 -4.45 -0.72 0.00 -1.92 -3.45 103.07 97.48 1ufa h GLY 153 Ca -0.47 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.24 1ufa h GLY 153 CO 0.81 0.00 -0.86 -0.19 0.00 0.00 0.00 176.54 176.30 1ufa s TYR 154 N -3.86 1.98 0.28 5.60 1.51 -1.26 -4.70 117.35 116.90 1ufa s TYR 154 Ca -0.01 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1ufa s TYR 154 Cb 0.12 -1.19 0.40 0.00 -0.11 0.00 0.00 41.96 41.19 1ufa s TYR 154 CO 0.69 0.10 1.74 -0.44 -1.11 0.00 0.00 175.55 176.52 1ufa h ASP 155 N 4.88 0.57 0.23 2.29 3.32 -1.99 -1.84 116.42 123.88 1ufa h ASP 155 Ca -0.44 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.38 1ufa h ASP 155 Cb 1.15 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1ufa h ASP 155 CO 0.44 0.75 -0.26 -0.33 -1.72 0.00 0.00 179.24 178.12 1ufa h GLU 156 N 0.52 0.06 -0.08 3.56 3.07 -1.91 0.25 114.58 120.05 1ufa h GLU 156 Ca 0.09 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 58.77 1ufa h GLU 156 Cb 0.58 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.50 1ufa h GLU 156 CO 0.04 0.32 -0.56 0.00 -1.40 0.00 0.00 179.01 177.41 1ufa h ALA 157 N 1.68 0.18 -0.56 3.43 0.00 -1.73 -0.75 119.26 121.51 1ufa h ALA 157 Ca 0.01 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1ufa h ALA 157 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ufa h ALA 157 CO 0.04 0.41 0.02 1.25 0.00 0.00 0.00 179.25 180.97 1ufa h LEU 158 N 0.12 0.91 -0.58 0.00 5.85 -1.08 -0.79 115.31 119.75 1ufa h LEU 158 Ca -0.05 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1ufa h LEU 158 Cb 1.22 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1ufa h LEU 158 CO 0.12 0.96 0.34 -0.25 -0.34 0.00 0.00 178.44 179.26 1ufa h TRP 159 N 0.88 0.77 -0.65 1.25 2.91 -0.44 -0.05 115.95 120.63 1ufa h TRP 159 Ca 0.17 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 1ufa h TRP 159 Cb 0.48 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 28.85 1ufa h TRP 159 CO 0.03 0.54 0.35 0.00 -1.03 0.00 0.00 178.44 178.33 1ufa h ALA 160 N 1.16 0.83 0.10 2.65 0.00 -0.62 0.28 119.26 123.66 1ufa h ALA 160 Ca 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ufa h ALA 160 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ufa h ALA 160 CO -0.04 0.35 -0.05 1.96 0.00 0.00 0.00 179.25 181.47 1ufa h GLN 161 N 0.88 -0.12 0.16 0.00 1.08 -0.59 0.82 115.11 117.33 1ufa h GLN 161 Ca 0.23 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.43 1ufa h GLN 161 Cb 0.05 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1ufa h GLN 161 CO -0.04 -0.07 -0.08 0.82 -0.95 0.00 0.00 178.83 178.52 1ufa h ILE 162 N -0.14 0.93 -0.79 2.54 2.04 -0.77 -0.07 117.51 121.25 1ufa h ILE 162 Ca -0.01 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 1ufa h ILE 162 Cb 0.11 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1ufa h ILE 162 CO 0.02 0.09 0.33 0.11 0.00 0.00 0.00 178.15 178.71 1ufa h LYS 163 N -0.40 1.16 -0.13 2.37 1.79 -0.44 -1.00 116.57 119.92 1ufa h LYS 163 Ca -0.02 -0.20 -0.05 0.00 -2.18 0.00 0.00 60.65 58.19 1ufa h LYS 163 Cb 0.32 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1ufa h LYS 163 CO 0.04 0.93 -0.16 1.15 -1.08 0.00 0.00 179.45 180.32 1ufa h THR 164 N 1.13 1.19 -0.22 -0.16 2.02 -0.84 0.31 112.91 116.34 1ufa h THR 164 Ca 0.26 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 1ufa h THR 164 Cb 0.19 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1ufa h THR 164 CO -0.03 0.26 -0.11 1.23 0.37 0.00 0.00 175.52 177.24 1ufa h GLY 165 N 0.78 0.51 0.99 2.16 0.00 -0.81 -0.46 103.07 106.23 1ufa h GLY 165 Ca 0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1ufa h GLY 165 CO 0.03 0.42 0.27 -2.08 0.00 0.00 0.00 176.54 175.17 1ufa h VAL 166 N 0.18 1.22 -0.43 4.60 2.07 -0.76 -1.62 116.25 121.49 1ufa h VAL 166 Ca 0.05 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1ufa h VAL 166 Cb 0.61 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1ufa h VAL 166 CO 0.03 0.25 0.25 0.28 0.02 0.00 0.00 177.57 178.40 1ufa h SER 167 N 0.80 0.53 -0.74 0.57 0.02 -0.86 -1.04 113.55 112.83 1ufa h SER 167 Ca 0.20 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1ufa h SER 167 Cb 0.14 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 1ufa h SER 167 CO -0.02 0.45 0.48 0.74 -1.14 0.00 0.00 176.83 177.34 1ufa h THR 168 N 0.57 1.19 -0.04 -2.27 2.02 -0.84 0.56 112.91 114.10 1ufa h THR 168 Ca 0.15 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 66.98 1ufa h THR 168 Cb 0.03 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 1ufa h THR 168 CO -0.03 0.19 -0.06 0.22 0.37 0.00 0.00 175.52 176.22 1ufa h TYR 169 N 1.00 -0.14 -0.33 3.16 3.20 -0.92 -1.29 116.97 121.65 1ufa h TYR 169 Ca 0.27 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.18 1ufa h TYR 169 Cb -0.10 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1ufa h TYR 169 CO -0.02 -0.09 0.15 0.00 -1.64 0.00 0.00 178.16 176.56 1ufa h ARG 170 N -0.08 0.31 -0.79 1.82 3.08 -0.73 0.12 114.38 118.11 1ufa h ARG 170 Ca 0.04 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.15 1ufa h ARG 170 Cb 0.14 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.05 1ufa h ARG 170 CO -0.09 0.20 0.45 -0.09 -1.07 0.00 0.00 179.97 179.37 1ufa h ARG 171 N 0.32 0.77 0.01 0.04 2.43 -0.57 0.23 114.38 117.60 1ufa h ARG 171 Ca 0.14 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 59.02 1ufa h ARG 171 Cb 0.07 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 1ufa h ARG 171 CO -0.11 0.51 -1.26 0.45 -1.51 0.00 0.00 179.97 178.05 1ufa h HIS 172 N 0.79 0.02 -0.00 2.20 3.86 -0.89 -3.39 115.15 117.73 1ufa h HIS 172 Ca 0.37 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1ufa h HIS 172 Cb 0.28 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1ufa h HIS 172 CO -0.06 1.02 -0.13 1.19 0.86 0.00 0.00 177.93 180.80 1ufa n PHE 173 N -3.25 0.00 -3.12 2.45 0.99 0.39 -4.92 117.46 110.00 1ufa n PHE 173 Ca -0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.16 1ufa n PHE 173 Cb 0.98 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 39.48 1ufa n PHE 173 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ufa n ALA 174 N -0.51 -1.00 -2.78 4.37 0.00 0.81 -4.96 120.51 116.45 1ufa n ALA 174 Ca 0.02 0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 1ufa n ALA 174 Cb 0.10 -3.42 -0.06 0.00 0.00 0.00 0.00 19.45 16.07 1ufa n ALA 174 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ufa s LYS 175 N -5.79 0.97 -0.03 0.00 1.02 -1.26 -5.09 119.74 109.57 1ufa s LYS 175 Ca 0.33 -0.84 -0.10 0.00 0.02 0.00 0.00 55.97 55.37 1ufa s LYS 175 Cb -0.16 0.41 -0.05 0.00 -0.52 0.00 0.00 37.83 37.51 1ufa s LYS 175 CO 0.40 -0.35 0.30 -0.51 -0.92 0.00 0.00 175.35 174.28 1ufa s ASP 176 N -2.84 6.61 0.15 2.83 1.01 -1.26 -3.94 116.67 119.24 1ufa s ASP 176 Ca 0.04 0.73 -0.22 0.00 0.71 0.00 0.00 52.55 53.81 1ufa s ASP 176 Cb 0.03 -2.16 -0.08 0.00 1.01 0.00 0.00 42.92 41.73 1ufa s ASP 176 CO -0.11 0.32 0.70 -2.16 0.21 0.00 0.00 175.17 174.13 1ufa s PRO 177 N -1.28 4.38 -0.07 8.23 0.04 -1.26 -4.95 135.00 140.10 1ufa s PRO 177 Ca 0.23 0.96 0.12 0.00 0.04 0.00 0.00 61.00 62.35 1ufa s PRO 177 Cb -0.14 -3.17 -0.18 0.00 0.04 0.00 0.00 34.50 31.05 1ufa s PRO 177 CO 0.12 0.55 0.17 0.25 0.04 0.00 0.00 177.00 178.13 1ufa n THR 178 N 1.43 0.41 -3.94 1.26 -2.24 -1.26 -4.49 114.28 105.45 1ufa n THR 178 Ca -0.06 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 60.99 1ufa n THR 178 Cb 0.50 -0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 1ufa n THR 178 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ufa s GLY 179 N -4.02 2.16 -0.04 3.38 0.00 -1.26 0.03 107.32 107.57 1ufa s GLY 179 Ca -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.80 1ufa s GLY 179 CO 0.53 -0.82 0.08 -0.12 0.00 0.00 0.00 173.10 172.78 1ufa s PHE 180 N -1.46 -0.07 -0.32 1.90 5.36 -0.88 -2.72 117.98 119.79 1ufa s PHE 180 Ca 0.33 0.26 -0.15 0.00 -0.96 0.00 0.00 56.93 56.41 1ufa s PHE 180 Cb -0.13 -0.10 -0.02 0.00 -0.34 0.00 0.00 43.02 42.43 1ufa s PHE 180 CO 0.26 -0.10 0.38 -0.46 -1.46 0.00 0.00 175.22 173.84 1ufa s TRP 181 N 0.78 3.22 -0.23 10.12 -0.11 0.17 -4.17 118.94 128.71 1ufa s TRP 181 Ca -0.06 0.14 -0.29 0.00 1.22 0.00 0.00 56.10 57.11 1ufa s TRP 181 Cb -0.09 -2.66 0.01 0.00 -1.50 0.00 0.00 33.47 29.23 1ufa s TRP 181 CO -0.03 -0.37 1.05 -0.51 -4.62 0.00 0.00 176.95 172.46 1ufa s LEU 182 N 2.07 4.09 0.15 5.86 1.43 -1.26 -4.32 118.68 126.70 1ufa s LEU 182 Ca 0.13 1.36 -0.34 0.00 -1.03 0.00 0.00 54.13 54.26 1ufa s LEU 182 Cb -0.16 -3.54 -0.16 0.00 0.03 0.00 0.00 46.19 42.36 1ufa s LEU 182 CO 0.11 -0.69 1.31 -2.65 0.23 0.00 0.00 176.35 174.67 1ufa n PRO 183 N 6.36 1.38 0.00 1.29 -0.02 -1.26 -4.11 135.00 138.64 1ufa n PRO 183 Ca 0.12 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1ufa n PRO 183 Cb 0.46 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1ufa n PRO 183 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ufa n GLU 184 N 2.29 0.00 0.00 -0.52 -0.58 -1.26 -4.77 120.64 115.80 1ufa n GLU 184 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1ufa n GLU 184 Cb 0.24 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.11 1ufa n GLU 184 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ufa n ALA 186 N 0.00 0.00 -2.54 0.62 0.00 -1.26 -1.87 120.51 115.47 1ufa n ALA 186 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1ufa n ALA 186 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1ufa n ALA 186 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ufa s TYR 187 N 0.00 1.66 -0.12 0.00 5.04 0.72 -4.47 117.35 120.20 1ufa s TYR 187 Ca 0.00 -0.45 -0.05 0.00 -2.44 0.00 0.00 57.07 54.13 1ufa s TYR 187 Cb 0.00 -0.89 0.06 0.00 0.35 0.00 0.00 41.96 41.48 1ufa s TYR 187 CO 0.00 0.21 0.24 0.50 -1.34 0.00 0.00 175.55 175.16 1ufa s ARG 188 N -2.21 0.15 0.77 4.97 3.52 -1.26 -1.71 118.95 123.18 1ufa s ARG 188 Ca 0.08 0.66 -0.10 0.00 -0.13 0.00 0.00 55.73 56.23 1ufa s ARG 188 Cb -0.08 -0.09 0.07 0.00 -1.56 0.00 0.00 34.95 33.29 1ufa s ARG 188 CO 0.04 -0.25 1.12 -1.25 -0.81 0.00 0.00 175.30 174.15 1ufa s PRO 189 N 2.05 2.03 0.67 5.12 0.04 -1.26 -0.93 135.00 142.73 1ufa s PRO 189 Ca -0.02 -0.03 -0.17 0.00 0.04 0.00 0.00 61.00 60.82 1ufa s PRO 189 Cb -0.12 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1ufa s PRO 189 CO -0.08 -1.48 1.27 0.21 0.04 0.00 0.00 177.00 176.96 1ufa s LYS 190 N -5.46 2.42 0.00 4.56 2.20 -1.26 -4.43 119.74 117.76 1ufa s LYS 190 Ca 0.61 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 1ufa s LYS 190 Cb -0.11 -1.84 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1ufa s LYS 190 CO 0.47 -1.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.20 1ufa n GLY 191 N 0.78 3.10 3.58 5.54 0.00 -0.33 -4.84 105.19 113.02 1ufa n GLY 191 Ca 0.15 -1.73 -0.47 0.00 0.00 0.00 0.00 46.02 43.98 1ufa n GLY 191 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ufa n PRO 192 N -1.98 1.25 -3.79 1.61 -0.02 -1.26 -1.87 135.00 128.94 1ufa n PRO 192 Ca 0.00 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.78 1ufa n PRO 192 Cb 0.00 -1.87 -0.15 0.00 -0.02 0.00 0.00 33.50 31.46 1ufa n PRO 192 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1ufa s TRP 193 N -0.60 -0.01 -0.12 6.00 -0.00 0.69 -4.86 118.94 120.05 1ufa s TRP 193 Ca 0.66 0.17 0.03 0.00 -0.00 0.00 0.00 56.10 56.96 1ufa s TRP 193 Cb -0.78 -0.17 0.01 0.00 -0.00 0.00 0.00 33.47 32.54 1ufa s TRP 193 CO 0.56 -0.09 -0.21 0.21 -0.00 0.00 0.00 176.95 177.42 1ufa s LYS 194 N 0.88 2.87 0.44 5.86 2.20 -1.26 -1.61 119.74 129.13 1ufa s LYS 194 Ca -0.07 -0.81 -0.23 0.00 -0.36 0.00 0.00 55.97 54.50 1ufa s LYS 194 Cb -0.10 -2.27 -0.10 0.00 -1.51 0.00 0.00 37.83 33.84 1ufa s LYS 194 CO -0.03 0.05 0.92 -2.30 -0.36 0.00 0.00 175.35 173.63 1ufa n PRO 195 N 3.88 1.16 0.17 4.03 -0.02 -1.26 -4.90 135.00 138.06 1ufa n PRO 195 Ca -0.20 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 61.74 1ufa n PRO 195 Cb 0.52 -1.97 0.20 0.00 -0.02 0.00 0.00 33.50 32.24 1ufa n PRO 195 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ufa h PRO 196 N 1.27 0.00 -4.51 0.52 0.11 -1.98 -3.45 132.00 123.96 1ufa h PRO 196 Ca -0.44 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.47 1ufa h PRO 196 Cb 1.35 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.31 1ufa h PRO 196 CO 0.55 0.44 -0.68 0.08 -0.21 0.00 0.00 178.00 178.19 1ufa s VAL 197 N -3.31 0.43 0.53 3.15 1.01 -1.26 -5.14 120.40 115.80 1ufa s VAL 197 Ca 0.02 -1.90 -0.21 0.00 0.00 0.00 0.00 61.98 59.89 1ufa s VAL 197 Cb 0.10 -1.79 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 1ufa s VAL 197 CO 0.71 -0.76 1.04 -0.62 0.00 0.00 0.00 175.10 175.47 1ufa n GLU 198 N -0.04 1.20 0.00 2.72 1.02 -1.26 -4.53 120.64 119.74 1ufa n GLU 198 Ca -0.10 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1ufa n GLU 198 Cb 0.62 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 1ufa n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ufa n GLY 199 N 1.17 1.31 3.61 0.62 0.00 -1.26 -4.83 105.19 105.80 1ufa n GLY 199 Ca 0.11 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1ufa n GLY 199 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ufa n PRO 200 N 0.00 0.43 -2.72 1.61 -0.02 -1.26 -4.97 135.00 128.06 1ufa n PRO 200 Ca 0.00 0.20 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 1ufa n PRO 200 Cb 0.00 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.20 1ufa n PRO 200 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ufa s PRO 201 N -3.42 4.66 -0.08 0.52 0.02 -1.26 -4.72 135.00 130.71 1ufa s PRO 201 Ca 0.72 1.45 -0.16 0.00 0.02 0.00 0.00 61.00 63.03 1ufa s PRO 201 Cb -0.33 -2.99 -0.05 0.00 0.02 0.00 0.00 34.50 31.15 1ufa s PRO 201 CO 0.51 0.33 0.43 -1.83 -0.33 0.00 0.00 177.00 176.11 1ufa s GLU 202 N -1.71 4.20 0.00 5.54 1.03 -1.26 -4.76 118.70 121.73 1ufa s GLU 202 Ca 0.47 0.39 0.00 0.00 0.03 0.00 0.00 54.97 55.86 1ufa s GLU 202 Cb -0.23 -3.37 0.00 0.00 -0.80 0.00 0.00 34.13 29.74 1ufa s GLU 202 CO 0.29 0.34 0.00 0.41 -1.33 0.00 0.00 175.26 174.97 1ufa n GLY 203 N 2.82 -1.48 3.71 -3.83 0.00 -0.63 -4.96 105.19 100.81 1ufa n GLY 203 Ca -0.10 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1ufa n GLY 203 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ufa s VAL 204 N -2.62 3.90 0.08 1.61 1.01 -1.26 -0.22 120.40 122.90 1ufa s VAL 204 Ca 0.00 1.33 0.10 0.00 0.00 0.00 0.00 61.98 63.41 1ufa s VAL 204 Cb 0.00 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1ufa s VAL 204 CO 0.00 0.07 -0.26 -0.13 0.00 0.00 0.00 175.10 174.78 1ufa s ARG 205 N 1.46 1.59 0.81 2.72 0.52 -0.78 -4.93 118.95 120.35 1ufa s ARG 205 Ca 0.60 -1.20 -0.11 0.00 -0.52 0.00 0.00 55.73 54.50 1ufa s ARG 205 Cb -0.30 -1.90 0.08 0.00 0.52 0.00 0.00 34.95 33.35 1ufa s ARG 205 CO 0.28 0.47 1.09 -1.25 0.02 0.00 0.00 175.30 175.91 1ufa s PRO 206 N -1.60 1.92 0.58 3.54 0.04 -1.26 -1.19 135.00 137.03 1ufa s PRO 206 Ca 0.12 1.04 -0.16 0.00 0.04 0.00 0.00 61.00 62.04 1ufa s PRO 206 Cb -0.10 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1ufa s PRO 206 CO 0.04 -1.84 1.05 0.20 0.04 0.00 0.00 177.00 176.48 1ufa s GLY 207 N -3.41 2.13 0.40 0.56 0.00 -1.26 -4.44 107.32 101.29 1ufa s GLY 207 Ca 0.62 0.37 0.10 0.00 0.00 0.00 0.00 44.72 45.82 1ufa s GLY 207 CO 0.56 0.69 1.96 -2.08 0.00 0.00 0.00 173.10 174.23 1ufa h VAL 208 N 0.52 0.93 0.00 1.40 2.07 -1.33 -0.62 116.25 119.22 1ufa h VAL 208 Ca -0.47 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1ufa h VAL 208 Cb 1.22 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1ufa h VAL 208 CO 0.58 0.10 -0.29 -2.24 0.02 0.00 0.00 177.57 175.74 1ufa h ASP 209 N 0.57 0.00 -0.42 0.57 3.04 -1.92 -2.39 116.42 115.87 1ufa h ASP 209 Ca 0.31 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 54.01 1ufa h ASP 209 Cb 0.48 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.75 1ufa h ASP 209 CO -0.10 0.29 -0.11 -0.33 -2.04 0.00 0.00 179.24 176.94 1ufa h GLU 210 N 0.00 0.82 -0.43 4.15 5.08 -1.47 -2.88 114.58 119.85 1ufa h GLU 210 Ca -0.00 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 57.92 1ufa h GLU 210 Cb 0.62 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1ufa h GLU 210 CO 0.04 0.95 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.71 1ufa h LEU 211 N 0.64 0.88 -1.35 1.33 3.38 -1.45 -1.39 115.31 117.36 1ufa h LEU 211 Ca 0.11 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ufa h LEU 211 Cb 0.65 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ufa h LEU 211 CO 0.04 1.07 0.00 0.18 0.09 0.00 0.00 178.44 179.82 1ufa n LEU 212 N -4.11 0.03 0.00 1.67 4.77 -0.92 -1.39 117.00 117.05 1ufa n LEU 212 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1ufa n LEU 212 Cb 0.44 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1ufa n LEU 212 CO 0.45 0.01 0.00 0.54 -1.33 0.00 0.00 177.39 177.06 1ufa n ARG 214 N 0.67 0.00 -0.09 3.23 1.74 -0.52 -1.36 116.66 120.33 1ufa n ARG 214 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1ufa n ARG 214 Cb 0.01 0.00 0.36 0.00 -1.02 0.00 0.00 32.46 31.80 1ufa n ARG 214 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ufa n ALA 215 N 0.00 2.52 -0.56 7.54 0.00 -0.48 -4.91 120.51 124.61 1ufa n ALA 215 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1ufa n ALA 215 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1ufa n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ufa n GLY 216 N 1.10 0.75 3.76 0.00 0.00 -1.08 -5.02 105.19 104.69 1ufa n GLY 216 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1ufa n GLY 216 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ufa s ILE 217 N -2.63 4.43 -0.20 -0.61 -1.09 -0.46 -4.64 121.20 116.00 1ufa s ILE 217 Ca 0.00 1.81 0.15 0.00 -2.23 0.00 0.00 60.65 60.38 1ufa s ILE 217 Cb 0.00 -4.20 -0.21 0.00 -1.58 0.00 0.00 42.46 36.47 1ufa s ILE 217 CO 0.00 0.44 0.41 0.54 -1.23 0.00 0.00 174.94 175.10 1ufa n ARG 218 N 2.08 0.93 -3.46 2.79 1.74 0.10 -4.83 116.66 116.01 1ufa n ARG 218 Ca -0.03 -0.10 -0.14 0.00 -0.77 0.00 0.00 57.85 56.81 1ufa n ARG 218 Cb 0.49 -1.31 -0.04 0.00 -1.02 0.00 0.00 32.46 30.58 1ufa n ARG 218 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1ufa s TYR 219 N -2.86 -0.58 0.11 -1.55 -0.85 -1.14 -1.06 117.35 109.40 1ufa s TYR 219 Ca -0.02 0.64 -0.01 0.00 -0.52 0.00 0.00 57.07 57.15 1ufa s TYR 219 Cb 0.10 0.50 0.01 0.00 0.38 0.00 0.00 41.96 42.95 1ufa s TYR 219 CO 0.62 -0.74 0.16 -2.37 -1.52 0.00 0.00 175.55 171.70 1ufa n THR 220 N 0.13 0.00 -4.25 -3.49 5.66 -0.43 -2.07 114.28 109.83 1ufa n THR 220 Ca -0.17 -0.48 -0.20 0.00 -3.05 0.00 0.00 64.05 60.15 1ufa n THR 220 Cb 0.62 0.32 -0.12 0.00 -1.55 0.00 0.00 70.33 69.59 1ufa n THR 220 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1ufa s PHE 221 N -4.88 1.30 0.20 1.09 0.40 -1.26 -2.32 117.98 112.51 1ufa s PHE 221 Ca 0.08 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1ufa s PHE 221 Cb -0.00 -0.74 -0.05 0.00 0.51 0.00 0.00 43.02 42.73 1ufa s PHE 221 CO 0.06 0.07 0.05 0.14 0.70 0.00 0.00 175.22 176.23 1ufa s VAL 222 N -1.12 0.51 0.71 -0.44 -7.23 -0.95 -4.63 120.40 107.25 1ufa s VAL 222 Ca 0.00 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 1ufa s VAL 222 Cb -0.09 -2.30 0.01 0.00 0.56 0.00 0.00 36.38 34.56 1ufa s VAL 222 CO 0.02 -0.29 1.06 -0.62 -0.31 0.00 0.00 175.10 174.97 1ufa s ASP 223 N -3.20 5.32 0.21 4.85 3.68 -1.26 -1.93 116.67 124.34 1ufa s ASP 223 Ca 0.30 1.53 -0.09 0.00 2.13 0.00 0.00 52.55 56.41 1ufa s ASP 223 Cb 0.07 -2.40 0.29 0.00 -1.45 0.00 0.00 42.92 39.43 1ufa s ASP 223 CO 0.07 -1.47 1.75 0.00 0.13 0.00 0.00 175.17 175.65 1ufa h ALA 224 N -0.74 0.81 0.00 3.66 0.00 -1.90 -2.42 119.26 118.68 1ufa h ALA 224 Ca -0.44 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ufa h ALA 224 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ufa h ALA 224 CO 0.58 -0.18 0.00 -2.39 0.00 0.00 0.00 179.25 177.26 1ufa n HIS 225 N -4.99 0.64 0.17 0.00 1.44 -1.26 -1.64 115.22 109.59 1ufa n HIS 225 Ca 0.09 0.30 0.05 0.00 -2.01 0.00 0.00 57.72 56.15 1ufa n HIS 225 Cb 0.28 -0.98 0.22 0.00 0.12 0.00 0.00 29.99 29.63 1ufa n HIS 225 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1ufa h LEU 226 N 0.00 0.00 0.00 2.39 3.38 -1.73 -0.80 115.31 118.55 1ufa h LEU 226 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ufa h LEU 226 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ufa h LEU 226 CO 0.00 0.40 -1.46 1.33 0.09 0.00 0.00 178.44 178.80 1ufa n VAL 227 N -3.36 0.00 -0.19 1.22 0.24 -0.65 -4.38 118.33 111.20 1ufa n VAL 227 Ca 0.01 -0.30 0.01 0.00 -2.04 0.00 0.00 64.34 62.02 1ufa n VAL 227 Cb 0.59 0.36 0.01 0.00 -1.47 0.00 0.00 33.84 33.34 1ufa n VAL 227 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ufa n GLN 228 N -1.87 2.59 0.00 7.34 10.64 -0.70 -4.86 117.38 130.52 1ufa n GLN 228 Ca -0.01 -1.53 0.00 0.00 -1.83 0.00 0.00 57.00 53.62 1ufa n GLN 228 Cb 0.36 -1.01 0.00 0.00 -0.86 0.00 0.00 30.24 28.73 1ufa n GLN 228 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ufa n GLY 229 N -0.55 0.17 7.00 2.61 0.00 -0.30 -4.95 105.19 109.16 1ufa n GLY 229 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1ufa n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufa n GLY 230 N 0.00 -1.81 3.77 -0.02 0.00 -1.26 -4.50 105.19 101.37 1ufa n GLY 230 Ca 0.00 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 1ufa n GLY 230 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ufa s GLU 231 N 0.00 4.36 0.89 1.61 0.41 -1.26 -4.90 118.70 119.81 1ufa s GLU 231 Ca 0.00 1.99 -0.11 0.00 -0.41 0.00 0.00 54.97 56.44 1ufa s GLU 231 Cb 0.00 -3.00 0.18 0.00 -1.78 0.00 0.00 34.13 29.53 1ufa s GLU 231 CO 0.00 -0.10 1.23 -1.25 -0.49 0.00 0.00 175.26 174.64 1ufa s PRO 232 N -1.82 0.95 -1.19 0.39 0.04 -1.26 -4.72 135.00 127.38 1ufa s PRO 232 Ca 0.50 -0.62 -0.08 0.00 0.04 0.00 0.00 61.00 60.84 1ufa s PRO 232 Cb -0.35 -1.99 0.23 0.00 0.04 0.00 0.00 34.50 32.43 1ufa s PRO 232 CO 0.46 -2.13 1.65 1.28 0.04 0.00 0.00 177.00 178.29 1ufa n LEU 233 N -3.49 6.39 -0.02 -3.56 4.77 -1.26 -4.91 117.00 114.91 1ufa n LEU 233 Ca 0.15 -4.87 -0.09 0.00 -0.03 0.00 0.00 56.01 51.17 1ufa n LEU 233 Cb 0.60 -1.41 -0.14 0.00 -2.33 0.00 0.00 43.42 40.13 1ufa n LEU 233 CO 0.45 1.44 -0.54 -1.54 -1.33 0.00 0.00 177.39 175.87 1ufa n SER 234 N 2.99 0.94 -4.76 -1.43 3.41 -1.26 -4.82 113.62 108.69 1ufa n SER 234 Ca 0.33 0.41 -0.37 0.00 -0.26 0.00 0.00 58.87 58.98 1ufa n SER 234 Cb 0.36 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 1ufa n SER 234 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ufa s PRO 243 N -2.60 4.18 -0.54 4.33 0.04 -1.26 -4.91 135.00 134.25 1ufa s PRO 243 Ca -0.06 0.27 -0.24 0.00 0.04 0.00 0.00 61.00 61.02 1ufa s PRO 243 Cb 0.08 -3.37 0.04 0.00 0.04 0.00 0.00 34.50 31.29 1ufa s PRO 243 CO 0.82 0.33 0.90 0.08 0.04 0.00 0.00 177.00 179.18 1ufa s VAL 244 N 0.12 4.45 0.67 -0.36 1.01 -1.26 -5.04 120.40 119.99 1ufa s VAL 244 Ca 0.21 0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.32 1ufa s VAL 244 Cb -0.14 -4.50 -0.01 0.00 0.00 0.00 0.00 36.38 31.73 1ufa s VAL 244 CO 0.08 -1.05 1.07 -1.61 0.00 0.00 0.00 175.10 173.59 1ufa s GLU 245 N 3.78 3.18 -0.50 2.72 0.41 -1.26 -4.76 118.70 122.27 1ufa s GLU 245 Ca 0.29 0.59 -0.17 0.00 -0.41 0.00 0.00 54.97 55.28 1ufa s GLU 245 Cb -0.13 -2.05 0.07 0.00 -1.78 0.00 0.00 34.13 30.25 1ufa s GLU 245 CO 0.19 -0.84 0.51 -1.54 -0.49 0.00 0.00 175.26 173.09 1ufa s SER 246 N -4.27 6.18 0.87 -0.19 1.04 -1.26 -4.94 113.70 111.13 1ufa s SER 246 Ca 0.57 -1.20 -0.12 0.00 0.48 0.00 0.00 55.95 55.68 1ufa s SER 246 Cb -0.11 -2.23 0.11 0.00 0.10 0.00 0.00 66.02 63.89 1ufa s SER 246 CO 0.53 -0.78 1.10 -1.10 0.98 0.00 0.00 173.24 173.97 1ufa s GLN 247 N 2.07 1.49 0.48 4.02 -1.52 -1.26 -4.92 119.66 120.02 1ufa s GLN 247 Ca 0.09 0.67 0.13 0.00 -1.95 0.00 0.00 55.36 54.29 1ufa s GLN 247 Cb -0.23 -1.85 1.12 0.00 -0.22 0.00 0.00 33.01 31.84 1ufa s GLN 247 CO 0.08 -2.04 2.12 1.49 -0.25 0.00 0.00 175.29 176.69 1ufa h GLU 248 N -1.40 0.20 -0.73 2.91 4.81 -2.00 -2.25 114.58 116.12 1ufa h GLU 248 Ca -0.49 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 58.85 1ufa h GLU 248 Cb 1.29 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 1ufa h GLU 248 CO 0.57 0.13 0.48 0.00 -0.73 0.00 0.00 179.01 179.47 1ufa h ALA 249 N 1.91 1.98 0.00 2.92 0.00 -1.91 -1.00 119.26 123.15 1ufa h ALA 249 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ufa h ALA 249 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ufa h ALA 249 CO -0.01 -0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.34 1ufa n THR 250 N -4.49 0.84 1.10 0.00 -2.24 -0.84 -2.40 114.28 106.25 1ufa n THR 250 Ca 0.13 0.26 0.12 0.00 -2.27 0.00 0.00 64.05 62.29 1ufa n THR 250 Cb 0.43 -1.19 0.16 0.00 -2.10 0.00 0.00 70.33 67.63 1ufa n THR 250 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ufa n TYR 251 N -2.24 0.00 -3.62 4.78 4.02 -0.38 -4.34 117.16 115.38 1ufa n TYR 251 Ca 0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.66 1ufa n TYR 251 Cb 0.22 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.50 1ufa n TYR 251 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1ufa s HIS 252 N -2.21 3.48 0.04 -0.72 3.76 -1.01 -0.66 115.29 117.97 1ufa s HIS 252 Ca 0.26 0.30 -0.20 0.00 -0.15 0.00 0.00 55.06 55.27 1ufa s HIS 252 Cb 0.19 -1.83 -0.06 0.00 1.11 0.00 0.00 32.58 31.99 1ufa s HIS 252 CO 0.42 0.30 0.59 0.08 -0.85 0.00 0.00 174.74 175.28 1ufa s VAL 253 N -2.04 4.81 -0.08 -0.90 1.01 -1.26 -4.61 120.40 117.32 1ufa s VAL 253 Ca 0.38 1.26 0.02 0.00 0.00 0.00 0.00 61.98 63.65 1ufa s VAL 253 Cb -0.10 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1ufa s VAL 253 CO 0.31 0.48 -0.14 -1.00 0.00 0.00 0.00 175.10 174.76 1ufa s HIS 254 N -0.64 2.75 -0.18 5.22 3.76 -0.50 -1.01 115.29 124.70 1ufa s HIS 254 Ca 0.30 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.84 1ufa s HIS 254 Cb -0.19 -1.72 -0.00 0.00 1.11 0.00 0.00 32.58 31.78 1ufa s HIS 254 CO 0.18 0.02 -0.12 -2.00 -0.85 0.00 0.00 174.74 171.97 1ufa s GLU 255 N -0.28 3.26 0.66 1.40 2.12 0.11 0.25 118.70 126.22 1ufa s GLU 255 Ca 0.02 -0.71 -0.06 0.00 0.36 0.00 0.00 54.97 54.58 1ufa s GLU 255 Cb -0.13 -2.75 0.04 0.00 0.26 0.00 0.00 34.13 31.55 1ufa s GLU 255 CO 0.03 -0.06 0.97 -0.51 -0.54 0.00 0.00 175.26 175.15 1ufa s LEU 256 N 1.03 2.99 0.43 2.70 1.43 0.15 -1.54 118.68 125.87 1ufa s LEU 256 Ca -0.01 0.56 0.14 0.00 -1.03 0.00 0.00 54.13 53.80 1ufa s LEU 256 Cb -0.15 -3.29 1.03 0.00 0.03 0.00 0.00 46.19 43.81 1ufa s LEU 256 CO -0.02 -1.37 1.96 -0.08 0.23 0.00 0.00 176.35 177.06 1ufa h GLU 257 N -0.42 0.41 0.00 1.70 4.81 -1.88 0.94 114.58 120.14 1ufa h GLU 257 Ca -0.45 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1ufa h GLU 257 Cb 1.29 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1ufa h GLU 257 CO 0.60 0.27 -0.02 0.66 -0.73 0.00 0.00 179.01 179.79 1ufa h SER 258 N 0.42 0.00 0.00 1.04 4.64 -1.95 -3.46 113.55 114.25 1ufa h SER 258 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1ufa h SER 258 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1ufa h SER 258 CO -0.09 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.50 1ufa n GLY 259 N -0.20 0.38 3.77 -0.77 0.00 0.33 -5.04 105.19 103.65 1ufa n GLY 259 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ufa n GLY 259 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ufa s LEU 260 N 0.00 4.34 0.05 0.99 2.96 -1.26 -4.73 118.68 121.03 1ufa s LEU 260 Ca 0.00 2.26 0.03 0.00 -0.22 0.00 0.00 54.13 56.19 1ufa s LEU 260 Cb 0.00 -3.88 -0.04 0.00 0.50 0.00 0.00 46.19 42.77 1ufa s LEU 260 CO 0.00 -0.40 0.03 -0.13 -1.32 0.00 0.00 176.35 174.53 1ufa s ARG 261 N -1.97 2.76 0.01 1.98 0.52 -0.23 -0.68 118.95 121.35 1ufa s ARG 261 Ca 0.52 -0.69 0.01 0.00 -0.52 0.00 0.00 55.73 55.05 1ufa s ARG 261 Cb -0.29 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 1ufa s ARG 261 CO 0.38 0.58 -0.04 0.14 0.02 0.00 0.00 175.30 176.38 1ufa s VAL 262 N -1.25 0.30 0.05 3.52 -7.23 0.14 -1.32 120.40 114.62 1ufa s VAL 262 Ca 0.24 -0.56 0.04 0.00 -1.81 0.00 0.00 61.98 59.90 1ufa s VAL 262 Cb -0.12 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.45 1ufa s VAL 262 CO 0.16 -0.17 -0.03 -0.76 -0.31 0.00 0.00 175.10 173.99 1ufa s LEU 263 N -0.78 3.36 -0.07 1.32 1.43 -0.98 -1.41 118.68 121.56 1ufa s LEU 263 Ca -0.05 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1ufa s LEU 263 Cb -0.05 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1ufa s LEU 263 CO -0.00 0.22 0.03 0.00 0.23 0.00 0.00 176.35 176.82 1ufa s ALA 264 N -1.19 3.38 0.17 4.21 0.00 -1.26 -2.24 121.76 124.84 1ufa s ALA 264 Ca 0.22 -0.81 -0.32 0.00 0.00 0.00 0.00 51.96 51.05 1ufa s ALA 264 Cb -0.11 -1.53 -0.11 0.00 0.00 0.00 0.00 23.12 21.37 1ufa s ALA 264 CO 0.14 0.61 1.71 0.50 0.00 0.00 0.00 175.76 178.72 1ufa s ARG 265 N -1.07 4.15 -0.20 0.00 3.52 -0.81 -4.25 118.95 120.29 1ufa s ARG 265 Ca 0.15 2.54 -0.29 0.00 -0.13 0.00 0.00 55.73 58.01 1ufa s ARG 265 Cb -0.11 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 1ufa s ARG 265 CO 0.05 -0.74 1.01 1.21 -0.81 0.00 0.00 175.30 176.02 1ufa s ASN 266 N 1.57 7.11 0.09 -2.12 2.47 0.25 -3.94 114.94 120.37 1ufa s ASN 266 Ca 0.75 1.39 -0.22 0.00 0.42 0.00 0.00 52.86 55.20 1ufa s ASN 266 Cb -0.47 -2.54 -0.12 0.00 -1.45 0.00 0.00 41.25 36.67 1ufa s ASN 266 CO 0.33 -0.60 1.69 -0.65 -3.72 0.00 0.00 177.10 174.14 1ufa h PRO 267 N 7.38 0.13 0.07 0.43 0.11 -1.89 -3.06 132.00 135.18 1ufa h PRO 267 Ca -0.22 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.90 1ufa h PRO 267 Cb 1.08 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1ufa h PRO 267 CO 0.94 0.16 -0.30 0.93 -0.21 0.00 0.00 178.00 179.53 1ufa h GLU 268 N 0.07 -0.47 0.00 1.05 3.07 -1.93 0.13 114.58 116.50 1ufa h GLU 268 Ca 0.03 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 1ufa h GLU 268 Cb 0.07 0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1ufa h GLU 268 CO -0.01 -0.31 -0.09 1.79 -1.40 0.00 0.00 179.01 178.99 1ufa h THR 269 N -0.48 0.64 -0.00 1.13 1.35 -1.96 0.19 112.91 113.77 1ufa h THR 269 Ca 0.04 -0.37 -0.03 0.00 -0.55 0.00 0.00 66.41 65.51 1ufa h THR 269 Cb 0.54 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1ufa h THR 269 CO -0.21 0.09 -0.10 0.74 -0.25 0.00 0.00 175.52 175.79 1ufa h THR 270 N 0.00 1.58 -0.41 6.82 2.02 -1.28 -3.24 112.91 118.39 1ufa h THR 270 Ca -0.00 -1.84 -0.11 0.00 0.77 0.00 0.00 66.41 65.23 1ufa h THR 270 Cb 0.22 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.40 1ufa h THR 270 CO 0.01 0.49 -0.18 -0.07 0.37 0.00 0.00 175.52 176.14 1ufa h LEU 271 N -0.64 0.80 -2.38 2.58 3.38 -0.64 0.11 115.31 118.51 1ufa h LEU 271 Ca -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1ufa h LEU 271 Cb 0.86 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ufa h LEU 271 CO 0.02 0.97 -0.03 -0.61 0.09 0.00 0.00 178.44 178.88 1ufa h GLN 272 N 0.70 0.00 0.00 1.13 5.75 -0.74 -1.23 115.11 120.72 1ufa h GLN 272 Ca 0.10 0.00 -0.40 0.00 -0.15 0.00 0.00 58.65 58.21 1ufa h GLN 272 Cb 0.69 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.17 1ufa h GLN 272 CO 0.05 0.03 -2.40 0.28 -2.65 0.00 0.00 178.83 174.15 1ufa n VAL 273 N -3.68 1.39 0.09 2.39 0.31 -1.05 -2.39 118.33 115.39 1ufa n VAL 273 Ca -0.03 -0.43 0.01 0.00 -0.01 0.00 0.00 64.34 63.89 1ufa n VAL 273 Cb 0.12 -1.62 -0.02 0.00 -0.91 0.00 0.00 33.84 31.41 1ufa n VAL 273 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 1ufa h TRP 274 N -0.51 0.00 -1.78 3.52 4.06 -0.98 -3.31 115.95 116.95 1ufa h TRP 274 Ca -0.60 0.00 -0.67 0.00 2.06 0.00 0.00 58.89 59.69 1ufa h TRP 274 Cb 1.68 0.00 0.06 0.00 -1.00 0.00 0.00 29.16 29.90 1ufa h TRP 274 CO -0.03 0.53 0.44 0.45 -3.56 0.00 0.00 178.44 176.27 1ufa n SER 275 N -3.08 1.70 0.16 -3.49 2.88 -0.47 -4.79 113.62 106.53 1ufa n SER 275 Ca -0.03 1.12 0.13 0.00 -1.33 0.00 0.00 58.87 58.77 1ufa n SER 275 Cb 0.78 -1.21 0.46 0.00 -0.75 0.00 0.00 64.21 63.49 1ufa n SER 275 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ufa h ALA 276 N 4.41 1.00 0.01 -1.46 0.00 -1.92 0.16 119.26 121.46 1ufa h ALA 276 Ca -0.47 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.07 1ufa h ALA 276 Cb 1.33 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1ufa h ALA 276 CO 0.77 0.00 -2.36 -0.25 0.00 0.00 0.00 179.25 177.41 1ufa n ASP 277 N -2.53 1.28 0.00 0.00 8.00 -1.26 -4.74 116.55 117.30 1ufa n ASP 277 Ca 0.03 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ufa n ASP 277 Cb 0.34 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1ufa n ASP 277 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ufa n TYR 278 N -3.10 0.00 -2.03 1.24 0.18 -1.24 -5.03 117.16 107.18 1ufa n TYR 278 Ca -0.39 -0.14 -0.38 0.00 1.88 0.00 0.00 57.90 58.87 1ufa n TYR 278 Cb 1.05 -0.01 0.01 0.00 -0.38 0.00 0.00 39.34 40.02 1ufa n TYR 278 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1ufa s GLY 279 N -0.28 2.83 0.31 -7.48 0.00 0.56 -4.86 107.32 98.40 1ufa s GLY 279 Ca 0.00 1.13 0.07 0.00 0.00 0.00 0.00 44.72 45.93 1ufa s GLY 279 CO 0.00 1.62 1.73 -0.97 0.00 0.00 0.00 173.10 175.48 1ufa h TYR 280 N 1.79 0.94 -0.21 1.90 0.99 -1.56 -1.74 116.97 119.08 1ufa h TYR 280 Ca -0.50 0.04 0.06 0.00 2.00 0.00 0.00 58.73 60.33 1ufa h TYR 280 Cb 1.27 -0.26 -0.01 0.00 1.00 0.00 0.00 36.73 38.73 1ufa h TYR 280 CO 0.50 0.07 0.30 -1.35 -0.00 0.00 0.00 178.16 177.67 1ufa h PRO 281 N 0.57 0.00 0.00 4.88 0.11 -1.90 -1.45 132.00 134.21 1ufa h PRO 281 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 1ufa h PRO 281 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ufa h PRO 281 CO -0.47 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.73 1ufa n GLY 282 N -1.37 -1.24 3.70 -0.55 0.00 -0.65 -4.81 105.19 100.25 1ufa n GLY 282 Ca 0.02 -0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 1ufa n GLY 282 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ufa n GLU 283 N -1.50 2.47 -0.08 1.61 4.07 -0.55 -4.51 120.64 122.15 1ufa n GLU 283 Ca 0.05 0.89 0.26 0.00 -0.06 0.00 0.00 57.16 58.30 1ufa n GLU 283 Cb 0.25 -2.69 0.71 0.00 -0.06 0.00 0.00 31.44 29.65 1ufa n GLU 283 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1ufa h GLY 284 N 6.20 0.00 2.00 8.31 0.00 -1.88 -2.23 103.07 115.46 1ufa h GLY 284 Ca -0.44 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 1ufa h GLY 284 CO 0.91 0.00 -0.36 1.41 0.00 0.00 0.00 176.54 178.51 1ufa h LEU 285 N 0.00 0.00-10.11 3.11 3.38 -1.90 0.20 115.31 109.99 1ufa h LEU 285 Ca 0.34 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.78 1ufa h LEU 285 Cb 1.59 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.45 1ufa h LEU 285 CO -0.00 0.36 0.46 -0.31 0.09 0.00 0.00 178.44 179.03 1ufa s TYR 286 N -3.08 2.35 0.20 1.13 4.12 -0.84 -4.48 117.35 116.76 1ufa s TYR 286 Ca 0.04 1.53 -0.31 0.00 0.02 0.00 0.00 57.07 58.35 1ufa s TYR 286 Cb 0.07 -3.47 -0.10 0.00 -1.52 0.00 0.00 41.96 36.94 1ufa s TYR 286 CO 0.72 -2.26 1.49 0.50 0.02 0.00 0.00 175.55 176.02 1ufa s ARG 287 N -3.45 4.25 -0.08 -0.62 3.52 -1.26 -0.15 118.95 121.16 1ufa s ARG 287 Ca 0.77 2.32 -0.30 0.00 -0.13 0.00 0.00 55.73 58.39 1ufa s ARG 287 Cb -0.30 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1ufa s ARG 287 CO 0.35 -0.50 1.21 -2.00 -0.81 0.00 0.00 175.30 173.54 1ufa s GLU 288 N 0.37 4.33 0.11 5.12 2.56 0.13 -4.58 118.70 126.73 1ufa s GLU 288 Ca 0.64 1.67 -0.13 0.00 0.00 0.00 0.00 54.97 57.15 1ufa s GLU 288 Cb -0.42 -3.60 -0.12 0.00 2.00 0.00 0.00 34.13 31.99 1ufa s GLU 288 CO 0.37 -0.49 1.36 0.35 -0.56 0.00 0.00 175.26 176.29 1ufa h PHE 289 N 7.59 1.03 -0.00 5.30 3.57 -1.87 -3.33 116.94 129.22 1ufa h PHE 289 Ca -0.33 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 60.78 1ufa h PHE 289 Cb 1.15 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1ufa h PHE 289 CO 0.74 1.21 -0.01 0.72 -2.23 0.00 0.00 178.31 178.74 1ufa n HIS 290 N -4.04 0.00 -3.93 0.41 8.25 -1.26 -4.74 115.22 109.90 1ufa n HIS 290 Ca -0.06 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.06 1ufa n HIS 290 Cb 0.64 -0.04 -0.14 0.00 1.12 0.00 0.00 29.99 31.57 1ufa n HIS 290 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1ufa s ARG 291 N -2.09 2.73 0.12 -0.41 3.52 -1.25 -5.09 118.95 116.48 1ufa s ARG 291 Ca 0.42 -1.06 0.07 0.00 -0.13 0.00 0.00 55.73 55.04 1ufa s ARG 291 Cb 0.21 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.50 1ufa s ARG 291 CO 0.38 -0.47 -0.09 0.15 -0.81 0.00 0.00 175.30 174.46 1ufa s LYS 292 N 1.31 2.13 0.04 5.12 1.02 -1.26 -4.39 119.74 123.71 1ufa s LYS 292 Ca -0.01 -1.05 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 1ufa s LYS 292 Cb -0.18 -2.29 -0.07 0.00 -0.52 0.00 0.00 37.83 34.77 1ufa s LYS 292 CO -0.03 0.50 1.54 0.34 -0.92 0.00 0.00 175.35 176.77 1ufa s ASP 293 N -2.31 6.72 0.48 2.83 -1.08 0.24 -4.86 116.67 118.69 1ufa s ASP 293 Ca 0.22 2.32 0.26 0.00 -0.52 0.00 0.00 52.55 54.83 1ufa s ASP 293 Cb -0.11 -2.56 1.33 0.00 -1.46 0.00 0.00 42.92 40.12 1ufa s ASP 293 CO 0.14 -0.81 1.85 -0.65 0.52 0.00 0.00 175.17 176.23 1ufa h PRO 294 N 8.07 0.16 0.01 4.34 0.11 -1.96 0.34 132.00 143.08 1ufa h PRO 294 Ca -0.40 -0.01 -0.39 0.00 0.11 0.00 0.00 66.00 65.31 1ufa h PRO 294 Cb 1.19 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 1ufa h PRO 294 CO 0.92 0.11 -2.43 1.28 -0.21 0.00 0.00 178.00 177.66 1ufa n LEU 295 N -4.38 2.92 -0.05 2.35 4.77 -1.26 -4.70 117.00 116.65 1ufa n LEU 295 Ca 0.20 -0.09 -0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1ufa n LEU 295 Cb 0.91 -0.93 -0.16 0.00 -2.33 0.00 0.00 43.42 40.91 1ufa n LEU 295 CO 0.35 0.92 -0.91 -1.54 -1.33 0.00 0.00 177.39 174.88 1ufa n SER 296 N -3.31 0.08 0.00 -1.43 3.41 -1.16 -4.99 113.62 106.21 1ufa n SER 296 Ca -0.45 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1ufa n SER 296 Cb 0.99 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 66.29 1ufa n SER 296 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ufa n GLY 297 N 1.51 0.79 3.89 5.00 0.00 0.12 -4.94 105.19 111.56 1ufa n GLY 297 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1ufa n GLY 297 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ufa s LEU 298 N 0.00 3.59 -0.31 0.99 1.43 -1.26 -4.37 118.68 118.74 1ufa s LEU 298 Ca 0.00 1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 54.01 1ufa s LEU 298 Cb 0.00 -4.05 -0.01 0.00 0.03 0.00 0.00 46.19 42.15 1ufa s LEU 298 CO 0.00 -0.60 0.52 -1.00 0.23 0.00 0.00 176.35 175.50 1ufa s HIS 299 N -2.75 3.21 0.00 0.29 3.76 -1.26 -0.59 115.29 117.95 1ufa s HIS 299 Ca 0.50 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.78 1ufa s HIS 299 Cb -0.10 -2.86 0.00 0.00 1.11 0.00 0.00 32.58 30.73 1ufa s HIS 299 CO 0.43 -0.44 0.88 0.72 -0.85 0.00 0.00 174.74 175.48 1ufa n HIS 300 N 5.68 0.00 -4.40 1.40 8.25 -1.26 -4.99 115.22 119.90 1ufa n HIS 300 Ca -0.04 -0.39 -0.22 0.00 -0.26 0.00 0.00 57.72 56.81 1ufa n HIS 300 Cb 0.49 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.46 1ufa n HIS 300 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1ufa s TRP 301 N -0.77 2.00 0.20 4.41 0.51 -1.26 -0.14 118.94 123.88 1ufa s TRP 301 Ca 0.00 -0.45 0.07 0.00 -2.12 0.00 0.00 56.10 53.60 1ufa s TRP 301 Cb 0.00 -0.91 -0.04 0.00 -0.81 0.00 0.00 33.47 31.71 1ufa s TRP 301 CO 0.00 0.51 0.07 -0.98 -0.51 0.00 0.00 176.95 176.04 1ufa s ARG 302 N -3.41 2.60 0.27 4.98 1.70 -0.18 0.19 118.95 125.10 1ufa s ARG 302 Ca 0.24 -1.09 -0.02 0.00 -0.47 0.00 0.00 55.73 54.39 1ufa s ARG 302 Cb -0.04 -2.43 0.59 0.00 -0.57 0.00 0.00 34.95 32.51 1ufa s ARG 302 CO 0.10 0.44 1.64 0.28 -1.08 0.00 0.00 175.30 176.68 1ufa h VAL 303 N 2.08 0.31 0.00 4.99 2.07 -0.51 -3.33 116.25 121.86 1ufa h VAL 303 Ca -0.47 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ufa h VAL 303 Cb 1.22 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1ufa h VAL 303 CO 0.60 0.03 0.00 0.41 0.02 0.00 0.00 177.57 178.63 1ufa n THR 304 N -5.29 0.00 -3.62 2.57 -1.04 0.69 -4.59 114.28 103.00 1ufa n THR 304 Ca 0.18 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.05 1ufa n THR 304 Cb 0.60 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.04 1ufa n THR 304 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1ufa s HIS 305 N 0.00 -0.74 0.34 -1.42 2.46 -1.26 -4.45 115.29 110.22 1ufa s HIS 305 Ca 0.00 1.73 0.02 0.00 0.47 0.00 0.00 55.06 57.28 1ufa s HIS 305 Cb 0.00 0.29 0.61 0.00 -0.13 0.00 0.00 32.58 33.34 1ufa s HIS 305 CO 0.00 -0.41 2.00 0.00 -2.47 0.00 0.00 174.74 173.86 1ufa h ARG 306 N 4.68 0.86 0.07 2.88 3.08 -1.81 -2.72 114.38 121.43 1ufa h ARG 306 Ca -0.29 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 59.47 1ufa h ARG 306 Cb 1.16 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1ufa h ARG 306 CO 0.12 0.58 -1.12 0.87 -1.07 0.00 0.00 179.97 179.34 1ufa h LYS 307 N 0.89 0.15 -4.21 0.04 1.57 -1.97 -3.48 116.57 109.56 1ufa h LYS 307 Ca 0.24 -0.25 -0.46 0.00 -1.87 0.00 0.00 60.65 58.31 1ufa h LYS 307 Cb -0.10 0.09 0.08 0.00 0.08 0.00 0.00 32.23 32.39 1ufa h LYS 307 CO -0.05 1.12 -0.44 0.00 -0.57 0.00 0.00 179.45 179.51 1ufa n ALA 308 N -2.45 -2.36 -1.74 3.86 0.00 -1.03 -4.95 120.51 111.84 1ufa n ALA 308 Ca -0.05 0.26 -0.31 0.00 0.00 0.00 0.00 53.44 53.34 1ufa n ALA 308 Cb 0.98 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 19.34 1ufa n ALA 308 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ufa s ASP 309 N -0.70 5.95 0.17 0.00 1.11 -1.26 -4.93 116.67 117.00 1ufa s ASP 309 Ca 0.44 1.56 -0.14 0.00 0.18 0.00 0.00 52.55 54.59 1ufa s ASP 309 Cb -0.61 -2.49 0.07 0.00 1.07 0.00 0.00 42.92 40.96 1ufa s ASP 309 CO 0.40 -1.06 1.83 -0.07 1.18 0.00 0.00 175.17 177.46 1ufa h LEU 310 N -0.17 0.56 -2.13 1.23 4.07 -1.98 -0.32 115.31 116.57 1ufa h LEU 310 Ca -0.45 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1ufa h LEU 310 Cb 1.20 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1ufa h LEU 310 CO 0.60 0.40 0.00 0.00 -1.08 0.00 0.00 178.44 178.36 1ufa h ALA 311 N 1.20 1.00 -0.06 1.53 0.00 -2.01 -1.31 119.26 119.61 1ufa h ALA 311 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ufa h ALA 311 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ufa h ALA 311 CO -0.06 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.58 1ufa n GLU 312 N -2.81 1.98 -2.08 0.00 1.02 -0.15 -4.94 120.64 113.65 1ufa n GLU 312 Ca -0.01 -1.43 -0.41 0.00 -0.02 0.00 0.00 57.16 55.29 1ufa n GLU 312 Cb 0.12 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 1ufa n GLU 312 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1ufa s LYS 313 N -1.95 4.31 0.51 3.49 -0.14 -0.50 -4.85 119.74 120.62 1ufa s LYS 313 Ca 0.34 2.22 -0.05 0.00 -1.36 0.00 0.00 55.97 57.12 1ufa s LYS 313 Cb 0.20 -3.13 -0.02 0.00 -1.68 0.00 0.00 37.83 33.21 1ufa s LYS 313 CO 0.31 -0.34 0.81 0.00 -0.76 0.00 0.00 175.35 175.38 1ufa s ALA 314 N -0.16 3.41 0.48 5.17 0.00 -1.25 -4.87 121.76 124.54 1ufa s ALA 314 Ca 0.57 -0.63 -0.22 0.00 0.00 0.00 0.00 51.96 51.67 1ufa s ALA 314 Cb -0.40 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.10 1ufa s ALA 314 CO 0.43 -0.50 1.05 -2.30 0.00 0.00 0.00 175.76 174.44 1ufa n PRO 315 N -2.34 1.32 -2.79 0.00 -0.02 -1.26 -1.01 135.00 128.90 1ufa n PRO 315 Ca 0.02 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 1ufa n PRO 315 Cb 0.56 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1ufa n PRO 315 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ufa s TYR 316 N -1.34 3.74 -0.54 6.00 5.04 0.80 -4.27 117.35 126.77 1ufa s TYR 316 Ca 0.67 1.68 -0.01 0.00 -2.44 0.00 0.00 57.07 56.96 1ufa s TYR 316 Cb -0.50 -3.01 0.14 0.00 0.35 0.00 0.00 41.96 38.94 1ufa s TYR 316 CO 0.54 0.15 0.33 0.34 -1.34 0.00 0.00 175.55 175.58 1ufa s ASP 317 N 0.31 5.03 0.17 4.32 -1.08 -1.26 -4.13 116.67 120.04 1ufa s ASP 317 Ca 0.46 -2.68 -0.19 0.00 -0.52 0.00 0.00 52.55 49.62 1ufa s ASP 317 Cb -0.22 -1.79 0.10 0.00 -1.46 0.00 0.00 42.92 39.55 1ufa s ASP 317 CO 0.27 -0.38 1.63 -0.65 0.52 0.00 0.00 175.17 176.57 1ufa h PRO 318 N 7.16 -0.12 -0.08 4.34 0.11 -1.92 -1.39 132.00 140.10 1ufa h PRO 318 Ca -0.05 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.10 1ufa h PRO 318 Cb 0.96 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1ufa h PRO 318 CO 0.69 -0.08 -0.12 0.93 -0.21 0.00 0.00 178.00 179.22 1ufa h GLU 319 N -0.12 -0.15 -0.62 1.05 3.07 -1.95 -1.42 114.58 114.44 1ufa h GLU 319 Ca 0.20 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.02 1ufa h GLU 319 Cb 0.42 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1ufa h GLU 319 CO -0.48 -0.10 0.20 0.00 -1.40 0.00 0.00 179.01 177.22 1ufa h ALA 320 N 0.88 1.19 0.08 3.43 0.00 -1.91 -1.77 119.26 121.16 1ufa h ALA 320 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ufa h ALA 320 Cb 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ufa h ALA 320 CO -0.18 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.60 1ufa h ALA 321 N 1.31 -0.11 -0.01 0.00 0.00 -0.84 -2.21 119.26 117.39 1ufa h ALA 321 Ca 0.20 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1ufa h ALA 321 Cb 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ufa h ALA 321 CO -0.01 -0.46 -0.50 0.74 0.00 0.00 0.00 179.25 179.02 1ufa h PHE 322 N -0.31 0.03 -0.34 0.00 -1.00 -1.23 -2.55 116.94 111.54 1ufa h PHE 322 Ca -0.01 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.71 1ufa h PHE 322 Cb 0.26 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 1ufa h PHE 322 CO -0.01 0.51 -0.02 0.00 -1.61 0.00 0.00 178.31 177.18 1ufa h ALA 323 N 1.48 1.34 0.00 2.45 0.00 -1.24 -2.38 119.26 120.92 1ufa h ALA 323 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1ufa h ALA 323 Cb 0.88 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ufa h ALA 323 CO 0.07 0.45 -0.09 -0.22 0.00 0.00 0.00 179.25 179.46 1ufa h LYS 324 N 0.50 0.00 -0.01 0.00 1.63 -0.95 -2.67 116.57 115.07 1ufa h LYS 324 Ca 0.11 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 1ufa h LYS 324 Cb 0.36 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1ufa h LYS 324 CO 0.01 0.09 -0.05 1.79 -3.45 0.00 0.00 179.45 177.85 1ufa h THR 325 N 0.00 1.04 -0.57 1.00 1.35 -1.42 -1.80 112.91 112.51 1ufa h THR 325 Ca -0.00 -0.19 -0.04 0.00 -0.55 0.00 0.00 66.41 65.62 1ufa h THR 325 Cb 0.18 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 1ufa h THR 325 CO 0.01 0.06 0.18 -0.33 -0.25 0.00 0.00 175.52 175.19 1ufa h GLU 326 N 0.02 0.89 -0.46 4.72 4.39 -1.62 0.89 114.58 123.40 1ufa h GLU 326 Ca 0.00 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 1ufa h GLU 326 Cb 0.09 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1ufa h GLU 326 CO 0.01 0.80 0.17 1.49 -1.16 0.00 0.00 179.01 180.32 1ufa h GLU 327 N 0.80 0.70 0.00 2.33 4.81 -1.47 -1.85 114.58 119.90 1ufa h GLU 327 Ca 0.19 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1ufa h GLU 327 Cb 0.28 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1ufa h GLU 327 CO -0.01 0.65 -0.19 0.45 -0.73 0.00 0.00 179.01 179.18 1ufa h HIS 328 N 0.60 0.00 -0.19 0.92 3.86 -1.27 -1.88 115.15 117.20 1ufa h HIS 328 Ca 0.15 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1ufa h HIS 328 Cb 0.22 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 1ufa h HIS 328 CO 0.01 0.19 -0.15 0.00 0.86 0.00 0.00 177.93 178.84 1ufa h ALA 329 N 1.81 0.28 -0.47 2.45 0.00 -0.35 -0.56 119.26 122.41 1ufa h ALA 329 Ca -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1ufa h ALA 329 Cb 0.81 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1ufa h ALA 329 CO 0.03 0.16 0.18 0.00 0.00 0.00 0.00 179.25 179.62 1ufa h ARG 330 N 0.11 0.71 -0.24 0.00 3.08 -1.18 -1.38 114.38 115.49 1ufa h ARG 330 Ca 0.04 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1ufa h ARG 330 Cb 0.67 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1ufa h ARG 330 CO 0.04 0.64 0.13 1.25 -1.07 0.00 0.00 179.97 180.96 1ufa h HIS 331 N 0.62 0.24 -0.37 3.04 2.76 -1.29 0.35 115.15 120.50 1ufa h HIS 331 Ca 0.16 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 1ufa h HIS 331 Cb 0.20 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 1ufa h HIS 331 CO 0.00 0.14 0.20 0.35 -1.30 0.00 0.00 177.93 177.33 1ufa h PHE 332 N 0.27 0.38 0.00 5.26 3.57 -0.91 -0.52 116.94 124.99 1ufa h PHE 332 Ca 0.09 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1ufa h PHE 332 Cb 0.01 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 1ufa h PHE 332 CO -0.08 0.21 -0.13 0.28 -2.23 0.00 0.00 178.31 176.35 1ufa h VAL 333 N 0.41 1.07 -0.46 1.41 2.07 -0.95 -1.05 116.25 118.75 1ufa h VAL 333 Ca 0.15 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1ufa h VAL 333 Cb 0.04 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1ufa h VAL 333 CO -0.09 0.13 0.20 1.23 0.02 0.00 0.00 177.57 179.06 1ufa h GLY 334 N 0.41 0.73 1.04 2.17 0.00 0.65 -1.01 103.07 107.05 1ufa h GLY 334 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1ufa h GLY 334 CO 0.02 0.36 0.34 -2.00 0.00 0.00 0.00 176.54 175.26 1ufa h LEU 335 N 0.60 1.09 -1.22 3.11 5.85 -0.36 -1.99 115.31 122.39 1ufa h LEU 335 Ca 0.15 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1ufa h LEU 335 Cb 0.17 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1ufa h LEU 335 CO -0.01 0.95 0.15 -0.07 -0.34 0.00 0.00 178.44 179.12 1ufa h LEU 336 N 1.15 0.63 -0.89 2.25 3.38 -0.84 -1.20 115.31 119.80 1ufa h LEU 336 Ca 0.27 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1ufa h LEU 336 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ufa h LEU 336 CO -0.03 0.60 -0.53 -0.33 0.09 0.00 0.00 178.44 178.25 1ufa h GLU 337 N 0.68 0.06 -0.07 1.13 5.08 -0.52 -0.32 114.58 120.63 1ufa h GLU 337 Ca 0.16 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1ufa h GLU 337 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ufa h GLU 337 CO -0.01 0.58 -0.34 0.00 -1.00 0.00 0.00 179.01 178.24 1ufa h ARG 338 N 0.05 0.36 -0.87 2.33 3.08 -0.77 -0.46 114.38 118.10 1ufa h ARG 338 Ca -0.00 -0.29 0.04 0.00 0.07 0.00 0.00 59.98 59.79 1ufa h ARG 338 Cb 0.95 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.01 1ufa h ARG 338 CO 0.07 0.93 0.56 -0.07 -1.07 0.00 0.00 179.97 180.39 1ufa h LEU 339 N -0.12 0.93 -0.63 3.04 3.38 -1.16 -0.89 115.31 119.86 1ufa h LEU 339 Ca -0.02 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1ufa h LEU 339 Cb 0.99 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1ufa h LEU 339 CO 0.07 0.63 0.20 0.00 0.09 0.00 0.00 178.44 179.43 1ufa h ALA 340 N 1.37 0.83 -0.87 1.53 0.00 -0.98 -0.64 119.26 120.50 1ufa h ALA 340 Ca 0.35 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ufa h ALA 340 Cb 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1ufa h ALA 340 CO -0.12 0.50 0.54 0.78 0.00 0.00 0.00 179.25 180.95 1ufa h GLY 341 N 0.91 1.25 1.76 0.00 0.00 -0.22 0.31 103.07 107.08 1ufa h GLY 341 Ca 0.20 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 1ufa h GLY 341 CO -0.01 0.49 -0.45 3.21 0.00 0.00 0.00 176.54 179.78 1ufa h ARG 342 N 1.20 0.27 -2.37 4.80 3.08 -0.66 -3.37 114.38 117.33 1ufa h ARG 342 Ca 0.32 -0.14 -0.58 0.00 0.07 0.00 0.00 59.98 59.65 1ufa h ARG 342 Cb -0.08 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.60 1ufa h ARG 342 CO -0.06 0.67 -0.95 -1.01 -1.07 0.00 0.00 179.97 177.55 1ufa s HIS 343 N -4.07 0.97 0.52 3.04 3.76 -0.29 -5.00 115.29 114.21 1ufa s HIS 343 Ca -0.05 -2.18 0.24 0.00 -0.15 0.00 0.00 55.06 52.93 1ufa s HIS 343 Cb 0.13 -0.89 1.36 0.00 1.11 0.00 0.00 32.58 34.29 1ufa s HIS 343 CO 0.78 -0.84 1.99 -1.35 -0.85 0.00 0.00 174.74 174.48 1ufa h PRO 344 N 5.86 0.04 -0.26 8.40 0.11 -0.58 -1.91 132.00 143.67 1ufa h PRO 344 Ca 0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1ufa h PRO 344 Cb 0.92 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1ufa h PRO 344 CO 0.35 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.55 1ufa n GLU 345 N -4.39 2.81 -2.29 1.05 1.02 -1.26 0.44 120.64 118.02 1ufa n GLU 345 Ca 0.10 -2.58 -0.26 0.00 -0.02 0.00 0.00 57.16 54.40 1ufa n GLU 345 Cb 0.59 -1.65 0.10 0.00 -0.02 0.00 0.00 31.44 30.46 1ufa n GLU 345 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ufa s GLY 346 N -1.73 1.74 -0.15 0.62 0.00 -0.72 -4.84 107.32 102.23 1ufa s GLY 346 Ca 0.35 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1ufa s GLY 346 CO 0.10 -0.72 -0.18 0.14 0.00 0.00 0.00 173.10 172.44 1ufa s VAL 347 N -3.31 2.41 -0.43 1.40 1.01 0.17 -1.03 120.40 120.62 1ufa s VAL 347 Ca 0.64 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1ufa s VAL 347 Cb -0.08 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.34 1ufa s VAL 347 CO 0.46 0.53 0.35 -0.63 0.00 0.00 0.00 175.10 175.81 1ufa s ILE 348 N 0.88 5.22 -0.35 2.22 1.01 0.20 -4.43 121.20 125.95 1ufa s ILE 348 Ca -0.05 -0.72 -0.17 0.00 0.00 0.00 0.00 60.65 59.72 1ufa s ILE 348 Cb -0.15 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 1ufa s ILE 348 CO -0.02 -0.41 0.44 -0.22 0.00 0.00 0.00 174.94 174.73 1ufa s LEU 349 N 1.76 4.41 -0.56 2.97 2.96 -1.26 -0.93 118.68 128.04 1ufa s LEU 349 Ca 0.06 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1ufa s LEU 349 Cb -0.20 -2.46 0.14 0.00 0.50 0.00 0.00 46.19 44.17 1ufa s LEU 349 CO 0.10 -0.41 0.33 -0.44 -1.32 0.00 0.00 176.35 174.60 1ufa s SER 350 N 1.75 4.78 -0.20 3.68 0.01 -0.77 -0.59 113.70 122.36 1ufa s SER 350 Ca 0.15 -2.87 -0.11 0.00 1.31 0.00 0.00 55.95 54.42 1ufa s SER 350 Cb -0.16 -1.74 -0.05 0.00 0.21 0.00 0.00 66.02 64.28 1ufa s SER 350 CO 0.12 -0.31 0.18 -2.16 0.41 0.00 0.00 173.24 171.49 1ufa s PRO 351 N -0.09 4.18 0.06 12.44 0.04 -1.26 -1.54 135.00 148.83 1ufa s PRO 351 Ca 0.16 -0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.07 1ufa s PRO 351 Cb -0.23 -3.46 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 1ufa s PRO 351 CO -0.02 0.21 -0.06 0.71 0.04 0.00 0.00 177.00 177.89 1ufa s TYR 352 N 0.60 0.68 -0.06 0.56 1.51 0.08 -4.98 117.35 115.74 1ufa s TYR 352 Ca 0.10 -0.81 -0.30 0.00 -1.01 0.00 0.00 57.07 55.05 1ufa s TYR 352 Cb -0.12 -0.42 -0.04 0.00 -0.11 0.00 0.00 41.96 41.26 1ufa s TYR 352 CO 0.01 -0.19 1.38 -0.51 -1.11 0.00 0.00 175.55 175.13 1ufa s ASP 353 N -2.49 6.87 0.29 2.29 1.01 -1.26 -1.03 116.67 122.35 1ufa s ASP 353 Ca 0.02 1.98 0.02 0.00 0.71 0.00 0.00 52.55 55.28 1ufa s ASP 353 Cb 0.01 -2.55 0.60 0.00 1.01 0.00 0.00 42.92 41.99 1ufa s ASP 353 CO -0.04 -0.75 1.82 0.00 0.21 0.00 0.00 175.17 176.41 1ufa h ALA 354 N 8.16 1.54 0.00 5.23 0.00 -1.34 -1.76 119.26 131.09 1ufa h ALA 354 Ca -0.34 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ufa h ALA 354 Cb 1.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ufa h ALA 354 CO 0.93 0.14 0.00 0.39 0.00 0.00 0.00 179.25 180.70 1ufa n GLU 355 N -4.67 0.01 -0.26 0.00 4.71 -1.26 -1.31 120.64 117.86 1ufa n GLU 355 Ca 0.20 0.42 -0.07 0.00 -0.01 0.00 0.00 57.16 57.70 1ufa n GLU 355 Cb 0.42 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.39 1ufa n GLU 355 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1ufa h LEU 356 N 0.00 1.03 -8.69 -4.62 5.85 -1.71 -2.75 115.31 104.42 1ufa h LEU 356 Ca 0.00 -0.20 -0.64 0.00 0.84 0.00 0.00 57.88 57.88 1ufa h LEU 356 Cb 0.02 -0.27 -0.14 0.00 0.37 0.00 0.00 40.66 40.65 1ufa h LEU 356 CO 0.00 0.96 0.18 -0.36 -0.34 0.00 0.00 178.44 178.87 1ufa s PHE 357 N -5.43 3.09 0.00 1.25 0.40 -0.42 -0.30 117.98 116.57 1ufa s PHE 357 Ca -0.12 0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.39 1ufa s PHE 357 Cb 0.15 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.37 1ufa s PHE 357 CO 0.83 -0.78 0.00 0.41 0.70 0.00 0.00 175.22 176.39 1ufa n GLY 358 N 4.85 3.14 0.11 4.36 0.00 0.19 -4.48 105.19 113.36 1ufa n GLY 358 Ca -0.01 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 1ufa n GLY 358 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ufa n HIS 359 N 0.00 0.65 -0.08 1.61 -0.00 -1.14 -4.01 115.22 112.25 1ufa n HIS 359 Ca 0.00 0.28 -0.14 0.00 -0.00 0.00 0.00 57.72 57.86 1ufa n HIS 359 Cb 0.00 -0.97 -0.11 0.00 -0.00 0.00 0.00 29.99 28.91 1ufa n HIS 359 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.34 178.69 1ufa h TRP 360 N -1.00 0.00 -3.38 1.57 2.91 -1.44 -3.41 115.95 111.20 1ufa h TRP 360 Ca -0.36 0.00 -0.73 0.00 1.13 0.00 0.00 58.89 58.93 1ufa h TRP 360 Cb 1.23 0.00 -0.30 0.00 -0.51 0.00 0.00 29.16 29.58 1ufa h TRP 360 CO -0.05 0.98 -0.33 -0.46 -1.03 0.00 0.00 178.44 177.55 1ufa s TRP 361 N -2.19 3.46 0.22 2.65 -0.00 0.59 -4.74 118.94 118.93 1ufa s TRP 361 Ca -0.20 -1.98 -0.08 0.00 -0.00 0.00 0.00 56.10 53.84 1ufa s TRP 361 Cb 0.00 -3.51 0.35 0.00 -0.00 0.00 0.00 33.47 30.32 1ufa s TRP 361 CO 0.56 -0.98 1.70 -0.92 -0.00 0.00 0.00 176.95 177.32 1ufa h TYR 362 N 8.21 0.23 -0.00 5.86 3.20 -1.80 0.60 116.97 133.27 1ufa h TYR 362 Ca -0.15 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1ufa h TYR 362 Cb 1.05 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1ufa h TYR 362 CO 0.69 -0.04 0.00 0.39 -1.64 0.00 0.00 178.16 177.56 1ufa n GLU 363 N -5.13 1.16 -0.06 1.82 4.71 -1.26 -4.06 120.64 117.81 1ufa n GLU 363 Ca 0.11 -0.23 0.12 0.00 -0.01 0.00 0.00 57.16 57.15 1ufa n GLU 363 Cb 0.37 -1.49 0.51 0.00 -1.01 0.00 0.00 31.44 29.81 1ufa n GLU 363 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1ufa h GLY 364 N 4.97 0.53 1.42 0.62 0.00 -1.39 -2.06 103.07 107.16 1ufa h GLY 364 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1ufa h GLY 364 CO 0.00 0.10 -0.49 -2.08 0.00 0.00 0.00 176.54 174.07 1ufa h VAL 365 N 0.38 1.31 -0.25 4.60 2.07 -1.77 -1.17 116.25 121.42 1ufa h VAL 365 Ca 0.26 -1.70 -0.10 0.00 0.82 0.00 0.00 66.70 65.98 1ufa h VAL 365 Cb 0.52 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1ufa h VAL 365 CO -0.07 0.54 -0.28 0.00 0.02 0.00 0.00 177.57 177.78 1ufa h ALA 366 N 0.97 1.05 -0.26 1.67 0.00 -1.71 -1.99 119.26 118.99 1ufa h ALA 366 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1ufa h ALA 366 Cb 1.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ufa h ALA 366 CO 0.10 0.58 0.12 2.35 0.00 0.00 0.00 179.25 182.39 1ufa h TRP 367 N 0.43 0.38 -0.25 0.00 7.01 -1.10 -0.92 115.95 121.50 1ufa h TRP 367 Ca 0.06 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.09 1ufa h TRP 367 Cb 0.72 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.61 1ufa h TRP 367 CO 0.02 0.37 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.90 1ufa h LEU 368 N 0.28 -0.26 -0.81 0.65 3.38 -0.84 0.42 115.31 118.14 1ufa h LEU 368 Ca 0.09 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1ufa h LEU 368 Cb 0.14 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1ufa h LEU 368 CO -0.01 -0.10 0.50 -0.08 0.09 0.00 0.00 178.44 178.85 1ufa h GLU 369 N -0.02 0.92 -0.42 1.13 4.81 -1.14 -0.44 114.58 119.43 1ufa h GLU 369 Ca 0.12 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1ufa h GLU 369 Cb 0.20 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1ufa h GLU 369 CO -0.26 0.61 0.19 0.00 -0.73 0.00 0.00 179.01 178.82 1ufa h ALA 370 N 1.36 0.54 -0.48 2.92 0.00 -0.36 -1.25 119.26 122.00 1ufa h ALA 370 Ca 0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ufa h ALA 370 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ufa h ALA 370 CO -0.14 0.12 0.29 0.28 0.00 0.00 0.00 179.25 179.80 1ufa h VAL 371 N 0.54 1.14 -0.52 0.00 2.07 -0.36 -1.75 116.25 117.36 1ufa h VAL 371 Ca 0.14 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1ufa h VAL 371 Cb 0.14 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1ufa h VAL 371 CO -0.02 0.14 0.14 -0.07 0.02 0.00 0.00 177.57 177.79 1ufa h LEU 372 N 0.64 0.78 -1.03 2.57 3.38 -0.92 -1.05 115.31 119.69 1ufa h LEU 372 Ca 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ufa h LEU 372 Cb -0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1ufa h LEU 372 CO -0.03 0.80 0.60 0.03 0.09 0.00 0.00 178.44 179.93 1ufa h ARG 373 N 0.73 1.26 -0.41 1.13 3.08 -1.01 -1.34 114.38 117.82 1ufa h ARG 373 Ca 0.17 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 1ufa h ARG 373 Cb 0.32 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1ufa h ARG 373 CO -0.00 0.85 -0.34 -0.07 -1.07 0.00 0.00 179.97 179.34 1ufa h LEU 374 N 1.29 1.01 -1.34 3.04 3.38 -1.05 -3.18 115.31 118.47 1ufa h LEU 374 Ca 0.34 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1ufa h LEU 374 Cb -0.11 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.35 1ufa h LEU 374 CO -0.07 1.25 -0.13 -0.07 0.09 0.00 0.00 178.44 179.50 1ufa h LEU 375 N 0.79 0.00 -1.57 1.67 3.38 -0.75 -2.98 115.31 115.85 1ufa h LEU 375 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1ufa h LEU 375 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1ufa h LEU 375 CO 0.09 0.13 -0.19 0.00 0.09 0.00 0.00 178.44 178.56 1ufa h ALA 376 N 1.87 1.65 -0.30 1.53 0.00 -1.23 -2.75 119.26 120.02 1ufa h ALA 376 Ca -0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1ufa h ALA 376 Cb 0.61 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1ufa h ALA 376 CO 0.02 0.27 -0.05 1.04 0.00 0.00 0.00 179.25 180.52 1ufa n GLN 377 N -4.30 2.13 -3.60 0.00 6.02 -1.13 -4.92 117.38 111.59 1ufa n GLN 377 Ca -0.02 -3.04 -0.38 0.00 -0.01 0.00 0.00 57.00 53.55 1ufa n GLN 377 Cb 0.26 -1.81 -0.11 0.00 1.02 0.00 0.00 30.24 29.61 1ufa n GLN 377 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ufa s ASN 378 N -2.38 6.05 0.48 1.08 3.84 -1.04 -4.98 114.94 117.99 1ufa s ASN 378 Ca 0.43 0.03 0.27 0.00 0.21 0.00 0.00 52.86 53.80 1ufa s ASN 378 Cb 0.38 -2.12 0.95 0.00 -0.55 0.00 0.00 41.25 39.91 1ufa s ASN 378 CO 0.03 -0.03 1.83 1.55 -2.79 0.00 0.00 177.10 177.69 1ufa h PRO 379 N 8.17 0.00 0.01 0.43 0.13 -1.93 -3.32 132.00 135.49 1ufa h PRO 379 Ca -0.36 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.43 1ufa h PRO 379 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1ufa h PRO 379 CO 0.58 0.11 -2.14 1.63 -0.23 0.00 0.00 178.00 177.95 1ufa n LYS 380 N -3.21 0.67 -4.03 0.86 5.02 -1.26 -4.88 118.16 111.32 1ufa n LYS 380 Ca 0.01 0.13 -0.31 0.00 -2.02 0.00 0.00 58.31 56.13 1ufa n LYS 380 Cb 0.42 -1.63 -0.16 0.00 -0.02 0.00 0.00 35.03 33.64 1ufa n LYS 380 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ufa s VAL 381 N -2.54 1.71 -0.23 -0.18 1.01 -1.25 -2.63 120.40 116.29 1ufa s VAL 381 Ca -0.12 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1ufa s VAL 381 Cb 0.07 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1ufa s VAL 381 CO 0.80 0.38 0.04 -0.60 0.00 0.00 0.00 175.10 175.72 1ufa s ARG 382 N 1.41 3.62 0.04 2.72 3.52 -0.50 -4.50 118.95 125.26 1ufa s ARG 382 Ca 0.03 -0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 1ufa s ARG 382 Cb -0.14 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 1ufa s ARG 382 CO -0.10 -0.13 1.24 -1.25 -0.81 0.00 0.00 175.30 174.24 1ufa s PRO 383 N 1.43 4.39 0.15 5.12 0.04 -1.26 -0.81 135.00 144.05 1ufa s PRO 383 Ca 0.05 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1ufa s PRO 383 Cb -0.15 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 1ufa s PRO 383 CO 0.02 -0.33 0.03 0.14 0.04 0.00 0.00 177.00 176.90 1ufa s VAL 384 N 1.38 0.37 0.77 -0.36 -7.23 -0.21 -4.30 120.40 110.82 1ufa s VAL 384 Ca 0.59 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.71 1ufa s VAL 384 Cb -0.30 -2.06 0.06 0.00 0.56 0.00 0.00 36.38 34.64 1ufa s VAL 384 CO 0.28 -0.49 1.15 0.42 -0.31 0.00 0.00 175.10 176.15 1ufa s THR 385 N -3.87 2.53 0.19 5.32 -4.23 -1.26 -4.28 115.64 110.04 1ufa s THR 385 Ca 0.23 0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.80 1ufa s THR 385 Cb 0.07 -3.17 0.11 0.00 1.34 0.00 0.00 72.50 70.85 1ufa s THR 385 CO 0.02 -0.22 1.78 0.00 -0.54 0.00 0.00 174.62 175.66 1ufa h ALA 386 N -0.92 0.85 -0.65 3.99 0.00 -1.90 -0.63 119.26 120.00 1ufa h ALA 386 Ca -0.46 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.39 1ufa h ALA 386 Cb 1.30 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1ufa h ALA 386 CO 0.65 0.41 0.32 -0.09 0.00 0.00 0.00 179.25 180.54 1ufa h ARG 387 N 0.91 0.55 -0.06 0.00 2.43 -1.99 -0.85 114.38 115.38 1ufa h ARG 387 Ca 0.23 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.20 1ufa h ARG 387 Cb 0.11 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1ufa h ARG 387 CO -0.03 0.37 -0.67 1.49 -1.51 0.00 0.00 179.97 179.62 1ufa h GLU 388 N 0.57 0.27 -0.06 0.20 4.81 -1.87 -3.13 114.58 115.37 1ufa h GLU 388 Ca 0.31 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1ufa h GLU 388 Cb 0.29 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1ufa h GLU 388 CO -0.24 0.84 -0.05 0.00 -0.73 0.00 0.00 179.01 178.83 1ufa h ALA 389 N 1.10 1.80 -0.22 2.92 0.00 0.21 -2.65 119.26 122.42 1ufa h ALA 389 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ufa h ALA 389 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ufa h ALA 389 CO 0.11 0.15 0.00 1.33 0.00 0.00 0.00 179.25 180.84 1ufa n VAL 390 N -4.42 0.29 -2.33 0.00 0.24 -0.55 -4.92 118.33 106.63 1ufa n VAL 390 Ca -0.02 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.34 61.57 1ufa n VAL 390 Cb 0.16 0.41 -0.01 0.00 -1.47 0.00 0.00 33.84 32.93 1ufa n VAL 390 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ufa s GLN 391 N -1.71 3.68 0.61 7.34 -0.21 -1.00 -4.95 119.66 123.43 1ufa s GLN 391 Ca 0.32 0.60 0.00 0.00 0.02 0.00 0.00 55.36 56.30 1ufa s GLN 391 Cb 0.17 -2.22 0.00 0.00 1.00 0.00 0.00 33.01 31.96 1ufa s GLN 391 CO 0.25 -0.33 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 1ufa n GLY 392 N -2.16 -1.81 3.63 3.09 0.00 -1.26 -4.96 105.19 101.73 1ufa n GLY 392 Ca 0.04 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 1ufa n GLY 392 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ufa n PRO 393 N 0.00 1.64 -3.99 1.61 -0.02 -1.26 -5.02 135.00 127.96 1ufa n PRO 393 Ca 0.00 0.58 -0.09 0.00 -2.02 0.00 0.00 63.50 61.97 1ufa n PRO 393 Cb 0.00 -2.07 -0.11 0.00 -0.02 0.00 0.00 33.50 31.30 1ufa n PRO 393 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ufa s ALA 394 N -1.12 0.14 -0.14 3.55 0.00 -1.26 -4.46 121.76 118.47 1ufa s ALA 394 Ca 0.58 -0.66 -0.17 0.00 0.00 0.00 0.00 51.96 51.71 1ufa s ALA 394 Cb -0.62 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1ufa s ALA 394 CO 0.60 -0.21 0.42 0.08 0.00 0.00 0.00 175.76 176.65 1ufa s VAL 395 N -1.95 5.22 -0.15 0.00 1.01 -0.18 -4.83 120.40 119.52 1ufa s VAL 395 Ca -0.11 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 1ufa s VAL 395 Cb -0.06 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1ufa s VAL 395 CO -0.03 0.33 1.26 -0.13 0.00 0.00 0.00 175.10 176.54 1ufa s ARG 396 N 0.68 4.25 0.04 2.72 0.52 -1.26 -0.71 118.95 125.19 1ufa s ARG 396 Ca 0.23 1.67 0.01 0.00 -0.52 0.00 0.00 55.73 57.12 1ufa s ARG 396 Cb -0.14 -3.74 -0.03 0.00 0.52 0.00 0.00 34.95 31.56 1ufa s ARG 396 CO 0.08 -0.68 -0.05 0.99 0.02 0.00 0.00 175.30 175.67 1ufa s THR 397 N 3.33 0.36 -0.09 0.02 2.01 -0.59 -4.92 115.64 115.76 1ufa s THR 397 Ca 0.55 -1.25 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1ufa s THR 397 Cb -0.22 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1ufa s THR 397 CO 0.16 -0.59 -0.14 0.00 -0.69 0.00 0.00 174.62 173.36 1ufa s ALA 398 N -2.12 2.61 -0.14 7.40 0.00 -1.26 -4.21 121.76 124.04 1ufa s ALA 398 Ca -0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 1ufa s ALA 398 Cb -0.05 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1ufa s ALA 398 CO -0.02 0.39 -0.02 -0.51 0.00 0.00 0.00 175.76 175.60 1ufa s LEU 399 N -0.15 3.36 1.05 0.00 1.43 -1.26 -5.01 118.68 118.10 1ufa s LEU 399 Ca -0.01 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 52.88 1ufa s LEU 399 Cb -0.14 -1.80 0.23 0.00 0.03 0.00 0.00 46.19 44.52 1ufa s LEU 399 CO 0.03 0.23 1.22 -2.16 0.23 0.00 0.00 176.35 175.90 1ufa s PRO 400 N -0.00 -0.06 0.24 1.29 0.04 -1.26 -4.32 135.00 130.93 1ufa s PRO 400 Ca 0.02 -0.20 -0.22 0.00 0.04 0.00 0.00 61.00 60.63 1ufa s PRO 400 Cb -0.13 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 1ufa s PRO 400 CO 0.02 -2.91 0.79 -2.00 0.04 0.00 0.00 177.00 172.94 1ufa s GLU 401 N -5.64 4.38 0.00 4.56 2.12 -1.26 -4.67 118.70 118.19 1ufa s GLU 401 Ca 0.72 1.03 0.00 0.00 0.36 0.00 0.00 54.97 57.08 1ufa s GLU 401 Cb -0.07 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.42 1ufa s GLU 401 CO 0.54 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 176.05 1ufa n GLY 402 N 0.78 -1.56 2.74 -1.50 0.00 -0.70 -4.95 105.19 100.01 1ufa n GLY 402 Ca -0.02 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 1ufa n GLY 402 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ufa n SER 403 N 1.41 -1.34 -1.65 1.61 3.41 -0.88 -0.20 113.62 115.99 1ufa n SER 403 Ca 0.00 -2.39 0.08 0.00 -0.26 0.00 0.00 58.87 56.30 1ufa n SER 403 Cb 0.00 2.36 0.37 0.00 -0.26 0.00 0.00 64.21 66.68 1ufa n SER 403 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1ufa n TRP 404 N -0.44 1.68 -2.20 7.33 4.27 -0.78 -4.39 117.44 122.92 1ufa n TRP 404 Ca -0.02 -0.68 -0.27 0.00 -3.89 0.00 0.00 57.50 52.65 1ufa n TRP 404 Cb 0.46 -0.35 0.12 0.00 -1.36 0.00 0.00 31.31 30.17 1ufa n TRP 404 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1ufa s GLY 405 N -0.93 1.73 0.08 -1.67 0.00 -1.26 -4.87 107.32 100.39 1ufa s GLY 405 Ca 0.52 -1.20 -0.36 0.00 0.00 0.00 0.00 44.72 43.68 1ufa s GLY 405 CO 0.20 -0.64 1.51 -2.13 0.00 0.00 0.00 173.10 172.05 1ufa n ARG 406 N -3.19 1.66 -0.33 2.90 0.63 -1.26 -0.08 116.66 117.00 1ufa n ARG 406 Ca 0.12 0.60 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 1ufa n ARG 406 Cb 0.60 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 31.20 1ufa n ARG 406 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ufa n GLY 407 N 3.16 1.61 2.63 5.14 0.00 -1.26 -4.11 105.19 112.37 1ufa n GLY 407 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 1ufa n GLY 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufa n GLY 408 N -2.00 0.37 0.00 -0.02 0.00 0.89 -4.83 105.19 99.60 1ufa n GLY 408 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ufa n GLY 408 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ufa n ASP 409 N -0.61 0.00 -0.44 1.61 5.68 -1.26 -2.06 116.55 119.47 1ufa n ASP 409 Ca -0.02 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.32 1ufa n ASP 409 Cb 0.36 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.41 1ufa n ASP 409 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1ufa n HIS 410 N 0.00 0.12 -0.34 2.11 8.25 -1.26 -4.19 115.22 119.91 1ufa n HIS 410 Ca 0.00 -0.15 0.24 0.00 -0.26 0.00 0.00 57.72 57.55 1ufa n HIS 410 Cb 0.00 -0.01 0.48 0.00 1.12 0.00 0.00 29.99 31.58 1ufa n HIS 410 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1ufa h ARG 411 N 1.86 0.32 -0.79 -0.41 0.11 -1.82 0.32 114.38 113.97 1ufa h ARG 411 Ca 0.00 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 1ufa h ARG 411 Cb 0.49 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.46 1ufa h ARG 411 CO 0.00 0.21 0.45 0.28 0.10 0.00 0.00 179.97 181.01 1ufa h VAL 412 N 0.33 1.23 0.00 0.08 2.07 -1.85 -3.18 116.25 114.93 1ufa h VAL 412 Ca 0.73 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1ufa h VAL 412 Cb 1.68 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1ufa h VAL 412 CO -0.58 0.25 -1.80 0.79 0.02 0.00 0.00 177.57 176.25 1ufa n TRP 413 N -4.36 0.00 -4.01 1.57 8.01 -0.23 -4.62 117.44 113.80 1ufa n TRP 413 Ca 0.08 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.94 1ufa n TRP 413 Cb 0.09 -0.40 -0.15 0.00 -2.01 0.00 0.00 31.31 28.84 1ufa n TRP 413 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 1ufa s LEU 414 N -4.22 3.58 0.00 -0.99 0.20 0.97 -4.81 118.68 113.41 1ufa s LEU 414 Ca -0.06 -1.34 -0.19 0.00 0.69 0.00 0.00 54.13 53.23 1ufa s LEU 414 Cb 0.13 -1.61 0.07 0.00 -0.43 0.00 0.00 46.19 44.35 1ufa s LEU 414 CO 0.83 -0.21 0.91 -0.46 -0.29 0.00 0.00 176.35 177.13 1ufa n ASN 415 N 4.50 -1.37 -0.32 3.68 6.94 -1.26 -4.17 115.26 123.26 1ufa n ASN 415 Ca -0.14 -1.66 -0.06 0.00 -0.02 0.00 0.00 54.58 52.71 1ufa n ASN 415 Cb 0.43 2.21 -0.01 0.00 -2.36 0.00 0.00 39.78 40.05 1ufa n ASN 415 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1ufa h GLU 416 N 0.00 -0.08 0.00 -3.83 4.57 -1.97 0.41 114.58 113.67 1ufa h GLU 416 Ca -0.22 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1ufa h GLU 416 Cb 1.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1ufa h GLU 416 CO 0.30 -0.05 0.00 0.87 -1.18 0.00 0.00 179.01 178.94 1ufa h LYS 417 N -0.09 0.00 -0.30 1.92 1.57 -1.99 -3.16 116.57 114.53 1ufa h LYS 417 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1ufa h LYS 417 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1ufa h LYS 417 CO -0.86 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 178.27 1ufa n THR 418 N -2.64 1.19 -0.09 -0.16 -2.24 0.09 -4.67 114.28 105.77 1ufa n THR 418 Ca 0.00 -1.14 -0.10 0.00 -2.27 0.00 0.00 64.05 60.54 1ufa n THR 418 Cb 0.19 0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1ufa n THR 418 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ufa h LEU 419 N 1.78 0.39 -1.34 3.22 3.38 -1.41 -2.39 115.31 118.94 1ufa h LEU 419 Ca 0.00 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1ufa h LEU 419 Cb 0.81 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1ufa h LEU 419 CO 0.03 0.47 0.46 -0.78 0.09 0.00 0.00 178.44 178.72 1ufa h ASP 420 N 0.28 0.76 0.76 -0.43 1.82 -1.84 -1.30 116.42 116.47 1ufa h ASP 420 Ca 0.09 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1ufa h ASP 420 Cb 0.22 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.05 1ufa h ASP 420 CO -0.00 0.53 -0.39 0.22 -1.61 0.00 0.00 179.24 177.99 1ufa h TYR 421 N 0.89 -1.01 -0.14 0.28 3.20 -1.75 -1.57 116.97 116.86 1ufa h TYR 421 Ca 0.27 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 1ufa h TYR 421 Cb -0.00 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1ufa h TYR 421 CO -0.00 -0.62 -0.03 -1.49 -1.64 0.00 0.00 178.16 174.38 1ufa h TRP 422 N -1.05 0.21 -0.04 -3.82 4.06 -1.26 -0.62 115.95 113.43 1ufa h TRP 422 Ca -0.10 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.85 1ufa h TRP 422 Cb 0.82 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.90 1ufa h TRP 422 CO -0.04 0.25 -0.03 1.49 -3.56 0.00 0.00 178.44 176.55 1ufa h GLU 423 N 0.20 -0.04 -0.01 0.49 4.81 -0.98 0.16 114.58 119.21 1ufa h GLU 423 Ca 0.05 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1ufa h GLU 423 Cb 0.20 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1ufa h GLU 423 CO 0.01 -0.03 -0.49 0.87 -0.73 0.00 0.00 179.01 178.64 1ufa h LYS 424 N -0.04 0.03 -0.21 1.92 1.57 -0.65 -2.16 116.57 117.04 1ufa h LYS 424 Ca 0.03 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1ufa h LYS 424 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1ufa h LYS 424 CO -0.07 0.52 0.01 0.28 -0.57 0.00 0.00 179.45 179.62 1ufa h VAL 425 N 0.03 1.25 -0.44 0.50 2.07 -0.57 -0.63 116.25 118.45 1ufa h VAL 425 Ca -0.00 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1ufa h VAL 425 Cb 0.88 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1ufa h VAL 425 CO 0.07 0.26 0.19 1.88 0.02 0.00 0.00 177.57 179.98 1ufa h TYR 426 N 0.13 0.67 -0.20 1.57 0.05 -0.55 0.50 116.97 119.13 1ufa h TYR 426 Ca 0.06 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1ufa h TYR 426 Cb 0.38 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1ufa h TYR 426 CO 0.03 0.57 0.12 -0.09 -1.05 0.00 0.00 178.16 177.74 1ufa h ARG 427 N 0.57 0.28 -0.52 4.88 2.43 -1.35 -2.14 114.38 118.53 1ufa h ARG 427 Ca 0.15 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1ufa h ARG 427 Cb 0.18 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1ufa h ARG 427 CO -0.01 0.25 0.27 0.00 -1.51 0.00 0.00 179.97 178.97 1ufa h ALA 428 N 1.01 0.67 -0.79 2.80 0.00 -0.93 -1.53 119.26 120.49 1ufa h ALA 428 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ufa h ALA 428 Cb 0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1ufa h ALA 428 CO -0.01 0.21 0.48 0.93 0.00 0.00 0.00 179.25 180.86 1ufa h GLU 429 N 0.70 1.06 -0.46 0.00 5.08 -0.77 -2.42 114.58 117.77 1ufa h GLU 429 Ca 0.18 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 1ufa h GLU 429 Cb 0.08 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1ufa h GLU 429 CO -0.03 0.74 -0.26 0.78 -1.00 0.00 0.00 179.01 179.24 1ufa h GLY 430 N 1.10 1.07 -1.76 -3.84 0.00 -1.05 -2.29 103.07 96.30 1ufa h GLY 430 Ca 0.28 -0.98 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1ufa h GLY 430 CO -0.06 0.89 0.00 0.00 0.00 0.00 0.00 176.54 177.38 1ufa n ALA 431 N -2.52 1.74 0.00 3.60 0.00 -0.61 -1.66 120.51 121.06 1ufa n ALA 431 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ufa n ALA 431 Cb 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1ufa n ALA 431 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ufa n ARG 433 N 0.72 0.00 0.07 0.00 0.63 -0.86 -0.18 116.66 117.03 1ufa n ARG 433 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 1ufa n ARG 433 Cb 0.14 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.99 1ufa n ARG 433 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1ufa h GLU 434 N 0.00 -0.16 -0.77 -0.14 4.57 -1.59 -1.58 114.58 114.90 1ufa h GLU 434 Ca 0.00 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.30 1ufa h GLU 434 Cb 0.00 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 1ufa h GLU 434 CO 0.00 -0.11 0.51 0.00 -1.18 0.00 0.00 179.01 178.23 1ufa h ALA 435 N 0.78 1.87 -0.44 2.92 0.00 -0.84 0.08 119.26 123.63 1ufa h ALA 435 Ca 0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1ufa h ALA 435 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ufa h ALA 435 CO -0.06 -0.05 -0.29 0.00 0.00 0.00 0.00 179.25 178.85 1ufa h ALA 436 N 1.62 0.65 0.17 0.00 0.00 -1.65 -1.42 119.26 118.64 1ufa h ALA 436 Ca 0.36 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ufa h ALA 436 Cb 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ufa h ALA 436 CO -0.14 0.68 -0.08 0.00 0.00 0.00 0.00 179.25 179.71 1ufa h ARG 437 N 0.82 -0.22 -0.77 0.00 3.08 -0.23 -3.19 114.38 113.87 1ufa h ARG 437 Ca 0.09 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.25 1ufa h ARG 437 Cb 0.87 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.90 1ufa h ARG 437 CO 0.08 0.13 0.41 0.00 -1.07 0.00 0.00 179.97 179.52 1ufa h ARG 438 N -0.60 0.68 -3.02 0.04 3.08 -1.07 -3.46 114.38 110.04 1ufa h ARG 438 Ca -0.02 -0.04 -0.38 0.00 0.07 0.00 0.00 59.98 59.61 1ufa h ARG 438 Cb 0.45 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1ufa h ARG 438 CO 0.04 0.45 -0.47 0.41 -1.07 0.00 0.00 179.97 179.33 1ufa n GLY 439 N -1.31 -0.28 0.12 0.04 0.00 -0.53 -4.89 105.19 98.33 1ufa n GLY 439 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 1ufa n GLY 439 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ufa n VAL 440 N -3.70 1.71 -1.63 1.61 0.24 -1.26 -4.93 118.33 110.37 1ufa n VAL 440 Ca -0.22 -0.70 -0.34 0.00 -2.04 0.00 0.00 64.34 61.04 1ufa n VAL 440 Cb 0.66 -1.48 0.07 0.00 -1.47 0.00 0.00 33.84 31.62 1ufa n VAL 440 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ufa s LEU 441 N -6.70 3.41 0.63 1.34 1.43 -1.26 -4.95 118.68 112.58 1ufa s LEU 441 Ca -0.17 2.29 -0.18 0.00 -1.03 0.00 0.00 54.13 55.04 1ufa s LEU 441 Cb 0.07 -4.58 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 1ufa s LEU 441 CO 0.78 -1.99 1.19 -2.65 0.23 0.00 0.00 176.35 173.91 1ufa n PRO 442 N -2.41 1.05 -0.06 1.29 -0.02 -1.26 -4.78 135.00 128.81 1ufa n PRO 442 Ca 0.13 0.41 -0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1ufa n PRO 442 Cb 0.50 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1ufa n PRO 442 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ufa h GLU 443 N 0.52 -0.27 -0.89 -0.52 4.81 -1.96 -1.22 114.58 115.05 1ufa h GLU 443 Ca -0.50 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 58.84 1ufa h GLU 443 Cb 1.35 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.71 1ufa h GLU 443 CO 0.52 -0.18 0.54 0.78 -0.73 0.00 0.00 179.01 179.94 1ufa h GLY 444 N -0.28 1.40 1.22 1.92 0.00 -1.99 -0.54 103.07 104.80 1ufa h GLY 444 Ca 0.14 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1ufa h GLY 444 CO -0.42 0.17 0.14 -2.08 0.00 0.00 0.00 176.54 174.36 1ufa h VAL 445 N 0.90 1.25 -0.47 4.60 2.07 -1.69 -0.85 116.25 122.06 1ufa h VAL 445 Ca 0.42 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.92 1ufa h VAL 445 Cb 0.35 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1ufa h VAL 445 CO -0.24 0.34 -0.18 -0.07 0.02 0.00 0.00 177.57 177.45 1ufa h LEU 446 N 0.93 0.95 -0.25 2.57 3.38 -0.10 -0.52 115.31 122.27 1ufa h LEU 446 Ca 0.20 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1ufa h LEU 446 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ufa h LEU 446 CO 0.00 1.10 -0.01 0.03 0.09 0.00 0.00 178.44 179.65 1ufa h ARG 447 N 0.82 0.45 -0.49 1.13 3.08 -0.80 -3.13 114.38 115.44 1ufa h ARG 447 Ca 0.12 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 1ufa h ARG 447 Cb 0.73 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1ufa h ARG 447 CO 0.06 0.63 -0.14 0.37 -1.07 0.00 0.00 179.97 179.82 1ufa h GLN 448 N 0.21 0.93 -1.21 0.04 5.75 -1.09 -0.79 115.11 118.96 1ufa h GLN 448 Ca 0.07 -0.35 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 1ufa h GLN 448 Cb 0.44 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1ufa h GLN 448 CO 0.02 1.01 0.00 0.00 -2.65 0.00 0.00 178.83 177.20 1ufa n ALA 449 N -2.50 1.28 0.00 3.38 0.00 -0.21 -0.84 120.51 121.61 1ufa n ALA 449 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1ufa n ALA 449 Cb 0.41 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1ufa n ALA 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ufa n ARG 451 N 0.79 0.00 -0.18 0.00 1.74 -0.30 -0.50 116.66 118.21 1ufa n ARG 451 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 1ufa n ARG 451 Cb 0.00 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 31.59 1ufa n ARG 451 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1ufa h GLU 452 N 0.00 0.95 0.21 5.56 4.39 -1.27 0.13 114.58 124.56 1ufa h GLU 452 Ca 0.00 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1ufa h GLU 452 Cb 0.00 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1ufa h GLU 452 CO 0.00 0.82 -0.10 1.25 -1.16 0.00 0.00 179.01 179.82 1ufa h LEU 453 N 0.92 -0.24 -0.47 1.33 5.85 -1.06 -0.63 115.31 121.02 1ufa h LEU 453 Ca 0.21 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1ufa h LEU 453 Cb 0.27 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1ufa h LEU 453 CO -0.01 -0.07 0.17 -0.07 -0.34 0.00 0.00 178.44 178.12 1ufa h LEU 454 N -0.40 0.18 -0.97 2.25 3.38 -1.74 0.07 115.31 118.08 1ufa h LEU 454 Ca -0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1ufa h LEU 454 Cb 0.30 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1ufa h LEU 454 CO 0.05 0.13 0.56 -0.07 0.09 0.00 0.00 178.44 179.20 1ufa h LEU 455 N 0.35 1.13 -0.98 1.67 3.38 -0.86 -2.01 115.31 117.98 1ufa h LEU 455 Ca 0.22 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1ufa h LEU 455 Cb 0.22 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1ufa h LEU 455 CO -0.22 0.87 0.30 0.25 0.09 0.00 0.00 178.44 179.73 1ufa h LEU 456 N 1.29 0.95 0.00 1.67 5.85 -0.08 -2.51 115.31 122.48 1ufa h LEU 456 Ca 0.34 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1ufa h LEU 456 Cb -0.05 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.74 1ufa h LEU 456 CO -0.06 0.83 0.00 -0.62 -0.34 0.00 0.00 178.44 178.25 1ufa n GLU 457 N -4.31 0.36 -1.68 1.25 1.02 -0.09 -4.81 120.64 112.38 1ufa n GLU 457 Ca 0.06 0.08 -0.44 0.00 -0.02 0.00 0.00 57.16 56.84 1ufa n GLU 457 Cb 0.16 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 1ufa n GLU 457 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ufa n ALA 458 N -1.18 1.70 0.42 0.62 0.00 -0.95 -4.00 120.51 117.12 1ufa n ALA 458 Ca 0.10 0.32 0.08 0.00 0.00 0.00 0.00 53.44 53.94 1ufa n ALA 458 Cb 0.11 -2.54 0.34 0.00 0.00 0.00 0.00 19.45 17.36 1ufa n ALA 458 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ufa n SER 459 N 5.66 0.18 0.16 0.00 3.41 -0.90 -2.88 113.62 119.25 1ufa n SER 459 Ca 0.19 0.55 0.04 0.00 -0.26 0.00 0.00 58.87 59.39 1ufa n SER 459 Cb 0.34 -0.59 0.45 0.00 -0.26 0.00 0.00 64.21 64.16 1ufa n SER 459 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ufa h ASP 460 N 0.00 0.14 0.66 4.04 3.32 -1.88 -2.18 116.42 120.53 1ufa h ASP 460 Ca 0.00 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1ufa h ASP 460 Cb 0.25 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1ufa h ASP 460 CO 0.00 0.27 -0.32 -0.50 -1.72 0.00 0.00 179.24 176.98 1ufa h TRP 461 N 0.15 -0.82 -0.34 4.55 -0.00 -1.87 0.86 115.95 118.47 1ufa h TRP 461 Ca 0.03 -0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.93 1ufa h TRP 461 Cb 0.29 0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 29.70 1ufa h TRP 461 CO 0.00 -0.51 0.23 -1.00 -0.00 0.00 0.00 178.44 177.16 1ufa h PRO 462 N -1.21 0.36 0.18 0.49 0.13 -1.76 -2.67 132.00 127.52 1ufa h PRO 462 Ca -0.09 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1ufa h PRO 462 Cb 0.68 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1ufa h PRO 462 CO 0.15 0.24 -0.09 0.35 -0.23 0.00 0.00 178.00 178.42 1ufa h PHE 463 N 0.37 -0.23 0.00 1.56 3.57 -1.33 -2.47 116.94 118.41 1ufa h PHE 463 Ca 0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1ufa h PHE 463 Cb 0.09 0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1ufa h PHE 463 CO -0.00 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 177.36 1ufa n LEU 464 N -5.11 0.84 0.00 0.59 4.77 0.29 -1.57 117.00 116.80 1ufa n LEU 464 Ca -0.09 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1ufa n LEU 464 Cb 0.19 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1ufa n LEU 464 CO 0.33 0.15 0.00 1.21 -1.33 0.00 0.00 177.39 177.75 1ufa n GLU 466 N 1.24 0.00 -0.04 3.23 4.07 -0.93 -2.73 120.64 125.47 1ufa n GLU 466 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 1ufa n GLU 466 Cb 0.11 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.44 1ufa n GLU 466 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1ufa h THR 467 N 0.00 1.28 0.00 6.31 1.35 -1.56 -3.47 112.91 116.82 1ufa h THR 467 Ca 0.00 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 1ufa h THR 467 Cb 0.00 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1ufa h THR 467 CO 0.00 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1ufa n GLY 468 N 0.56 0.99 0.26 5.82 0.00 -1.16 -4.97 105.19 106.68 1ufa n GLY 468 Ca -0.06 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1ufa n GLY 468 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ufa h GLN 469 N 3.83 0.00 0.00 1.61 4.20 -1.86 -3.40 115.11 119.49 1ufa h GLN 469 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ufa h GLN 469 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ufa h GLN 469 CO 0.00 0.09 0.00 0.00 -0.67 0.00 0.00 178.83 178.25 1ufa n ALA 470 N -2.15 0.00 0.19 3.87 0.00 -1.11 -4.99 120.51 116.33 1ufa n ALA 470 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1ufa n ALA 470 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 1ufa n ALA 470 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ufa h GLU 471 N 0.00 -0.43 -0.80 0.00 4.81 -1.74 -0.02 114.58 116.39 1ufa h GLU 471 Ca 0.00 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1ufa h GLU 471 Cb 0.00 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1ufa h GLU 471 CO 0.00 -0.21 0.39 0.00 -0.73 0.00 0.00 179.01 178.46 1ufa h ALA 472 N 0.05 1.03 0.30 2.92 0.00 -1.97 -0.20 119.26 121.38 1ufa h ALA 472 Ca -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ufa h ALA 472 Cb 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ufa h ALA 472 CO 0.08 0.59 -0.14 -0.92 0.00 0.00 0.00 179.25 178.85 1ufa h TYR 473 N 1.13 -0.37 -0.72 0.00 3.20 -1.96 -1.52 116.97 116.73 1ufa h TYR 473 Ca 0.28 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.17 1ufa h TYR 473 Cb 0.10 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 1ufa h TYR 473 CO 0.01 -0.15 0.44 0.00 -1.64 0.00 0.00 178.16 176.83 1ufa h ALA 474 N 0.15 0.95 -0.08 1.82 0.00 -0.85 0.11 119.26 121.35 1ufa h ALA 474 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ufa h ALA 474 Cb 0.39 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ufa h ALA 474 CO 0.07 0.20 0.06 -0.09 0.00 0.00 0.00 179.25 179.48 1ufa h ARG 475 N 0.85 0.11 -0.54 0.00 2.43 -0.94 -1.31 114.38 114.98 1ufa h ARG 475 Ca 0.30 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1ufa h ARG 475 Cb 0.06 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1ufa h ARG 475 CO -0.13 0.08 0.14 0.93 -1.51 0.00 0.00 179.97 179.48 1ufa h GLU 476 N 0.11 0.82 0.24 0.20 4.39 -0.83 -2.04 114.58 117.47 1ufa h GLU 476 Ca 0.03 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1ufa h GLU 476 Cb -0.01 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1ufa h GLU 476 CO -0.01 0.73 -0.11 0.00 -1.16 0.00 0.00 179.01 178.46 1ufa h ARG 477 N 0.79 -0.31 -0.16 2.33 2.47 -0.26 -0.86 114.38 118.37 1ufa h ARG 477 Ca 0.18 0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.80 1ufa h ARG 477 Cb 0.28 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1ufa h ARG 477 CO -0.00 -0.21 -0.40 0.10 0.56 0.00 0.00 179.97 180.02 1ufa h TYR 478 N -0.32 0.44 -0.53 3.04 -0.00 -1.18 -2.14 116.97 116.28 1ufa h TYR 478 Ca -0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 58.73 58.52 1ufa h TYR 478 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 36.73 36.86 1ufa h TYR 478 CO -0.06 0.72 0.09 0.93 -0.00 0.00 0.00 178.16 179.84 1ufa h GLU 479 N 0.31 0.84 -0.19 0.10 4.39 -1.22 -0.97 114.58 117.83 1ufa h GLU 479 Ca 0.03 -0.19 -0.18 0.00 0.34 0.00 0.00 59.36 59.36 1ufa h GLU 479 Cb 0.85 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1ufa h GLU 479 CO 0.07 0.78 -0.58 1.49 -1.16 0.00 0.00 179.01 179.62 1ufa h GLU 480 N 0.80 0.72 -0.49 2.33 4.57 -0.88 0.54 114.58 122.16 1ufa h GLU 480 Ca 0.17 -0.53 -0.08 0.00 -1.18 0.00 0.00 59.36 57.74 1ufa h GLU 480 Cb 0.35 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1ufa h GLU 480 CO 0.01 1.14 -0.02 0.45 -1.18 0.00 0.00 179.01 179.41 1ufa h HIS 481 N 0.43 0.89 -0.05 0.92 3.86 -1.25 0.19 115.15 120.14 1ufa h HIS 481 Ca -0.02 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1ufa h HIS 481 Cb 1.20 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.43 1ufa h HIS 481 CO 0.09 0.83 0.02 0.00 0.86 0.00 0.00 177.93 179.72 1ufa h ALA 482 N 1.20 0.06 -0.54 2.45 0.00 -1.11 0.16 119.26 121.49 1ufa h ALA 482 Ca 0.15 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ufa h ALA 482 Cb 0.49 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1ufa h ALA 482 CO 0.02 -0.33 0.25 -0.09 0.00 0.00 0.00 179.25 179.10 1ufa h ARG 483 N -0.11 0.46 -0.52 0.00 1.12 -0.55 -1.58 114.38 113.21 1ufa h ARG 483 Ca 0.02 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 58.77 1ufa h ARG 483 Cb 0.20 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.04 1ufa h ARG 483 CO -0.00 0.30 -0.02 0.00 -3.11 0.00 0.00 179.97 177.14 1ufa h ALA 484 N 1.32 1.00 0.41 2.80 0.00 -0.50 -1.79 119.26 122.50 1ufa h ALA 484 Ca 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ufa h ALA 484 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ufa h ALA 484 CO -0.21 0.61 -0.20 0.35 0.00 0.00 0.00 179.25 179.81 1ufa h PHE 485 N 0.81 -0.51 -0.07 0.00 3.57 -0.04 -1.84 116.94 118.87 1ufa h PHE 485 Ca 0.15 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 1ufa h PHE 485 Cb 0.51 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1ufa h PHE 485 CO 0.03 -0.29 -0.50 0.74 -2.23 0.00 0.00 178.31 176.06 1ufa h PHE 486 N -0.59 0.21 -0.78 0.41 -1.00 -1.34 -2.77 116.94 111.07 1ufa h PHE 486 Ca -0.06 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 60.61 1ufa h PHE 486 Cb 0.44 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 1ufa h PHE 486 CO -0.04 0.64 0.28 1.25 -1.61 0.00 0.00 178.31 178.83 1ufa h HIS 487 N 0.14 1.21 -0.44 -0.55 2.76 -1.27 0.19 115.15 117.18 1ufa h HIS 487 Ca 0.00 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.00 1ufa h HIS 487 Cb 0.93 -0.36 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 1ufa h HIS 487 CO 0.01 0.93 0.01 -0.07 -1.30 0.00 0.00 177.93 177.52 1ufa h LEU 488 N 1.14 0.68 0.16 0.26 3.38 -1.08 -0.70 115.31 119.16 1ufa h LEU 488 Ca 0.26 -0.15 -0.28 0.00 0.09 0.00 0.00 57.88 57.79 1ufa h LEU 488 Cb 0.26 -0.18 0.03 0.00 0.09 0.00 0.00 40.66 40.86 1ufa h LEU 488 CO -0.02 0.74 -1.21 -0.07 0.09 0.00 0.00 178.44 177.97 1ufa h LEU 489 N 0.68 0.78 -1.10 1.67 3.38 -1.19 -3.29 115.31 116.23 1ufa h LEU 489 Ca 0.14 -0.87 -0.07 0.00 0.09 0.00 0.00 57.88 57.16 1ufa h LEU 489 Cb 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ufa h LEU 489 CO 0.01 1.59 -0.16 0.50 0.09 0.00 0.00 178.44 180.47 1ufa h LYS 490 N 0.10 0.44 0.00 1.13 3.64 -0.58 -3.47 116.57 117.83 1ufa h LYS 490 Ca -0.20 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1ufa h LYS 490 Cb 1.92 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 1ufa h LYS 490 CO 0.23 0.60 0.00 0.41 -2.27 0.00 0.00 179.45 178.42 1ufa n GLY 491 N -0.60 2.55 3.50 5.01 0.00 -0.28 -5.08 105.19 110.29 1ufa n GLY 491 Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 1ufa n GLY 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufa s ALA 492 N 0.00 2.78 0.71 4.61 0.00 -1.19 -4.87 121.76 123.80 1ufa s ALA 492 Ca 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 51.96 50.18 1ufa s ALA 492 Cb 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1ufa s ALA 492 CO 0.00 0.38 1.07 -1.54 0.00 0.00 0.00 175.76 175.66 1ufa s SER 493 N -3.07 5.29 0.24 0.00 1.04 -1.26 -4.86 113.70 111.07 1ufa s SER 493 Ca 0.26 1.47 -0.05 0.00 0.48 0.00 0.00 55.95 58.10 1ufa s SER 493 Cb -0.07 -2.33 0.35 0.00 0.10 0.00 0.00 66.02 64.07 1ufa s SER 493 CO 0.14 -1.48 1.83 -0.65 0.98 0.00 0.00 173.24 174.06 1ufa h PRO 494 N -0.74 0.82 0.00 4.02 0.11 -2.00 -1.58 132.00 132.62 1ufa h PRO 494 Ca -0.45 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1ufa h PRO 494 Cb 1.23 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1ufa h PRO 494 CO 0.59 0.54 -0.38 1.05 -0.21 0.00 0.00 178.00 179.59 1ufa h GLU 495 N 0.84 0.00 -0.30 1.05 9.09 -1.99 -1.75 114.58 121.53 1ufa h GLU 495 Ca 0.37 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.60 1ufa h GLU 495 Cb 0.26 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1ufa h GLU 495 CO -0.21 0.38 -0.53 0.93 0.05 0.00 0.00 179.01 179.63 1ufa h GLU 496 N 0.00 0.87 -0.31 1.06 5.08 -1.70 -1.95 114.58 117.62 1ufa h GLU 496 Ca -0.00 -0.54 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1ufa h GLU 496 Cb 0.84 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1ufa h GLU 496 CO 0.05 1.17 0.19 1.25 -1.00 0.00 0.00 179.01 180.67 1ufa h LEU 497 N 0.67 0.38 -1.19 1.33 5.85 -1.03 -2.19 115.31 119.13 1ufa h LEU 497 Ca 0.02 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1ufa h LEU 497 Cb 1.13 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1ufa h LEU 497 CO 0.12 0.33 0.28 0.03 -0.34 0.00 0.00 178.44 178.86 1ufa h ARG 498 N 0.40 0.85 -0.42 1.25 3.08 -1.23 0.18 114.38 118.49 1ufa h ARG 498 Ca 0.11 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1ufa h ARG 498 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1ufa h ARG 498 CO -0.02 0.66 -0.05 0.00 -1.07 0.00 0.00 179.97 179.49 1ufa h ALA 499 N 1.46 1.11 -0.04 0.04 0.00 -1.03 -0.91 119.26 119.89 1ufa h ALA 499 Ca 0.21 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 1ufa h ALA 499 Cb 0.10 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ufa h ALA 499 CO -0.03 0.56 -0.92 -0.07 0.00 0.00 0.00 179.25 178.79 1ufa h LEU 500 N 0.66 0.74 -1.05 0.00 3.38 -0.76 -1.50 115.31 116.78 1ufa h LEU 500 Ca 0.12 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1ufa h LEU 500 Cb 0.49 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1ufa h LEU 500 CO 0.03 1.35 0.53 -0.33 0.09 0.00 0.00 178.44 180.11 1ufa h GLU 501 N 0.36 1.18 -0.00 1.13 5.08 -0.30 0.19 114.58 122.22 1ufa h GLU 501 Ca -0.09 -0.10 -0.26 0.00 -1.00 0.00 0.00 59.36 57.92 1ufa h GLU 501 Cb 1.55 -0.25 0.02 0.00 0.50 0.00 0.00 28.75 30.57 1ufa h GLU 501 CO 0.17 0.82 -1.02 1.49 -1.00 0.00 0.00 179.01 179.47 1ufa h GLU 502 N 1.20 0.64 -0.17 2.33 4.57 -1.16 -3.20 114.58 118.80 1ufa h GLU 502 Ca 0.32 -0.69 -0.06 0.00 -1.18 0.00 0.00 59.36 57.75 1ufa h GLU 502 Cb -0.06 0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1ufa h GLU 502 CO -0.06 1.28 -0.12 -0.09 -1.18 0.00 0.00 179.01 178.83 1ufa h ARG 503 N 0.36 0.38 -3.45 1.92 2.43 -0.92 -3.38 114.38 111.73 1ufa h ARG 503 Ca -0.12 -0.18 -0.67 0.00 -0.81 0.00 0.00 59.98 58.20 1ufa h ARG 503 Cb 1.67 -0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 30.84 1ufa h ARG 503 CO 0.20 0.72 -0.48 -0.51 -1.51 0.00 0.00 179.97 178.39 1ufa s ASP 504 N -6.10 4.82 -0.16 -3.80 1.01 0.64 -4.66 116.67 108.41 1ufa s ASP 504 Ca -0.14 -3.02 0.16 0.00 0.71 0.00 0.00 52.55 50.26 1ufa s ASP 504 Cb 0.06 -1.75 0.63 0.00 1.01 0.00 0.00 42.92 42.86 1ufa s ASP 504 CO 0.75 -0.28 1.54 -0.46 0.21 0.00 0.00 175.17 176.93 1ufa n ASN 505 N 3.19 4.47 -4.80 0.27 6.94 -1.21 -4.55 115.26 119.57 1ufa n ASN 505 Ca 0.08 -2.73 -0.33 0.00 -0.02 0.00 0.00 54.58 51.58 1ufa n ASN 505 Cb 0.35 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 1ufa n ASN 505 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ufa s PRO 506 N -2.34 3.40 -0.52 -0.53 0.04 -1.26 -4.38 135.00 129.41 1ufa s PRO 506 Ca 0.45 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.73 1ufa s PRO 506 Cb 0.33 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 1ufa s PRO 506 CO 0.15 -0.75 0.49 1.19 0.04 0.00 0.00 177.00 178.12 1ufa n PHE 507 N -1.82 -1.93 0.25 0.56 0.99 -1.26 -4.88 117.46 109.37 1ufa n PHE 507 Ca 0.09 0.73 0.18 0.00 -0.00 0.00 0.00 57.45 58.45 1ufa n PHE 507 Cb 0.53 -3.29 0.89 0.00 -1.00 0.00 0.00 39.48 36.61 1ufa n PHE 507 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1ufa h PRO 508 N 0.16 0.00 -0.38 -1.08 0.13 -2.02 -1.38 132.00 127.43 1ufa h PRO 508 Ca -0.06 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.83 1ufa h PRO 508 Cb 1.03 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.00 1ufa h PRO 508 CO 0.21 0.00 -0.30 0.39 -0.23 0.00 0.00 178.00 178.07 1ufa n GLU 509 N -3.43 2.21 -1.62 0.86 1.02 -1.26 -5.05 120.64 113.37 1ufa n GLU 509 Ca 0.00 -3.45 -0.47 0.00 -0.02 0.00 0.00 57.16 53.22 1ufa n GLU 509 Cb 0.32 -1.89 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 1ufa n GLU 509 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ufa n ALA 510 N -1.02 0.05 -3.81 0.62 0.00 -0.52 -4.94 120.51 110.88 1ufa n ALA 510 Ca 0.34 0.45 -0.35 0.00 0.00 0.00 0.00 53.44 53.87 1ufa n ALA 510 Cb 0.91 -2.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.09 1ufa n ALA 510 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ufa s ASP 511 N 0.19 5.12 0.62 0.00 2.15 -1.26 -4.88 116.67 118.60 1ufa s ASP 511 Ca 0.72 -1.97 0.32 0.00 0.43 0.00 0.00 52.55 52.05 1ufa s ASP 511 Cb -0.77 -1.77 1.80 0.00 -0.30 0.00 0.00 42.92 41.87 1ufa s ASP 511 CO 0.50 -0.48 2.12 -0.65 -0.17 0.00 0.00 175.17 176.49 1ufa h PRO 512 N 7.95 0.00 -0.07 4.34 0.11 -1.92 -1.78 132.00 140.64 1ufa h PRO 512 Ca -0.12 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.01 1ufa h PRO 512 Cb 1.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ufa h PRO 512 CO 0.64 0.00 0.06 0.00 -0.21 0.00 0.00 178.00 178.49 1ufa h ARG 513 N 0.00 0.00 -0.21 1.05 3.08 -1.93 -1.68 114.38 114.69 1ufa h ARG 513 Ca 0.06 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.17 1ufa h ARG 513 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1ufa h ARG 513 CO -0.00 0.00 0.31 -0.07 -1.07 0.00 0.00 179.97 179.14 1ufa h LEU 514 N 0.00 0.00 -0.27 3.04 3.38 -1.71 0.27 115.31 120.02 1ufa h LEU 514 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ufa h LEU 514 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ufa h LEU 514 CO -0.00 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 1ufa n TYR 515 N -3.50 0.07 -4.41 1.13 4.02 -0.63 -4.50 117.16 109.34 1ufa n TYR 515 Ca 0.03 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.90 57.59 1ufa n TYR 515 Cb 0.43 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.71 1ufa n TYR 515 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1ufa n LEU 516 N -0.43 0.00 0.00 7.72 4.77 0.95 -4.82 117.00 125.19 1ufa n LEU 516 Ca 0.10 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.15 1ufa n LEU 516 Cb 0.10 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1ufa n LEU 516 CO 0.07 -0.48 0.00 0.33 -1.33 0.00 0.00 177.39 175.98