#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uls n LEU 3 N 0.00 2.95 -4.49 2.89 4.77 -0.62 -4.55 117.00 117.96 1uls n LEU 3 Ca 0.00 -3.80 -0.49 0.00 -0.03 0.00 0.00 56.01 51.70 1uls n LEU 3 Cb 0.00 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 1uls n LEU 3 CO 0.00 1.43 1.81 1.17 -1.33 0.00 0.00 177.39 180.48 1uls n LYS 4 N -0.76 1.33 -1.06 3.23 4.81 -1.01 -2.05 118.16 122.64 1uls n LYS 4 Ca 0.23 0.36 -0.02 0.00 -0.87 0.00 0.00 58.31 58.01 1uls n LYS 4 Cb 0.83 -2.68 -0.01 0.00 0.02 0.00 0.00 35.03 33.19 1uls n LYS 4 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1uls n ASP 5 N 10.34 -5.33 -4.74 3.14 2.03 0.58 -4.95 116.55 117.61 1uls n ASP 5 Ca 0.38 0.05 -0.41 0.00 0.52 0.00 0.00 54.79 55.34 1uls n ASP 5 Cb 0.29 -3.03 -0.05 0.00 -0.72 0.00 0.00 41.12 37.61 1uls n ASP 5 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1uls s LYS 6 N -1.83 4.72 -0.37 -0.67 1.02 -0.87 -4.68 119.74 117.05 1uls s LYS 6 Ca 0.00 1.57 -0.26 0.00 0.02 0.00 0.00 55.97 57.31 1uls s LYS 6 Cb 0.00 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 34.03 1uls s LYS 6 CO 0.00 0.28 0.92 0.00 -0.92 0.00 0.00 175.35 175.63 1uls s ALA 7 N -0.58 3.40 -0.01 5.17 0.00 -1.26 -1.37 121.76 127.10 1uls s ALA 7 Ca 0.45 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.99 1uls s ALA 7 Cb -0.27 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.30 1uls s ALA 7 CO 0.33 -1.64 -0.18 0.08 0.00 0.00 0.00 175.76 174.36 1uls s VAL 8 N 3.49 1.39 -0.05 0.00 1.01 -0.73 -0.11 120.40 125.41 1uls s VAL 8 Ca 0.38 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1uls s VAL 8 Cb -0.12 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1uls s VAL 8 CO 0.19 0.39 -0.21 -0.22 0.00 0.00 0.00 175.10 175.25 1uls s LEU 9 N -0.39 2.31 -0.04 3.92 0.20 -0.84 -1.81 118.68 122.01 1uls s LEU 9 Ca 0.06 -0.39 0.04 0.00 0.69 0.00 0.00 54.13 54.53 1uls s LEU 9 Cb -0.07 -1.43 0.00 0.00 -0.43 0.00 0.00 46.19 44.26 1uls s LEU 9 CO -0.01 0.30 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.57 1uls s ILE 10 N -0.47 1.30 0.26 6.68 1.01 -0.78 -0.92 121.20 128.28 1uls s ILE 10 Ca 0.06 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.13 1uls s ILE 10 Cb -0.12 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1uls s ILE 10 CO 0.01 0.38 0.29 0.42 0.00 0.00 0.00 174.94 176.04 1uls s THR 11 N 0.16 4.66 -1.83 2.92 -4.23 -0.83 -0.22 115.64 116.27 1uls s THR 11 Ca -0.06 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1uls s THR 11 Cb -0.12 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1uls s THR 11 CO 0.02 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1uls n GLY 12 N -1.32 0.16 0.07 3.99 0.00 0.35 -3.44 105.19 105.00 1uls n GLY 12 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.04 1uls n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uls n ALA 13 N -1.14 1.60 0.11 4.61 0.00 -0.55 -2.79 120.51 122.34 1uls n ALA 13 Ca -0.23 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.33 1uls n ALA 13 Cb 0.67 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.84 1uls n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uls h ALA 14 N 2.35 0.60 -2.45 0.00 0.00 -1.88 -2.66 119.26 115.22 1uls h ALA 14 Ca 0.00 -0.18 -0.47 0.00 0.00 0.00 0.00 54.91 54.26 1uls h ALA 14 Cb 0.28 0.05 0.09 0.00 0.00 0.00 0.00 17.79 18.20 1uls h ALA 14 CO 0.00 0.20 0.32 -1.01 0.00 0.00 0.00 179.25 178.76 1uls s HIS 15 N -3.24 2.99 0.00 0.00 3.76 -1.12 -4.70 115.29 112.98 1uls s HIS 15 Ca 0.00 0.64 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 1uls s HIS 15 Cb 0.09 -3.28 0.00 0.00 1.11 0.00 0.00 32.58 30.49 1uls s HIS 15 CO 0.78 -1.51 0.49 0.41 -0.85 0.00 0.00 174.74 174.05 1uls n GLY 16 N -3.08 -2.64 0.19 -2.22 0.00 -1.26 0.02 105.19 96.21 1uls n GLY 16 Ca 0.08 0.55 -0.03 0.00 0.00 0.00 0.00 46.02 46.62 1uls n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1uls h ILE 17 N 0.00 0.76 -0.74 -0.61 2.04 -1.89 -1.45 117.51 115.62 1uls h ILE 17 Ca 0.00 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1uls h ILE 17 Cb 0.00 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1uls h ILE 17 CO 0.00 0.05 0.38 1.23 0.00 0.00 0.00 178.15 179.80 1uls h GLY 18 N 0.26 1.12 0.83 5.37 0.00 -1.57 -0.82 103.07 108.26 1uls h GLY 18 Ca 0.24 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1uls h GLY 18 CO -0.29 0.50 0.03 -0.09 0.00 0.00 0.00 176.54 176.69 1uls h ARG 19 N 1.05 0.27 -0.29 4.80 9.65 0.15 0.81 114.38 130.82 1uls h ARG 19 Ca 0.26 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 1uls h ARG 19 Cb 0.07 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1uls h ARG 19 CO -0.04 0.43 0.05 0.00 2.80 0.00 0.00 179.97 183.21 1uls h ALA 20 N 0.83 1.56 -0.10 2.80 0.00 -1.01 -1.45 119.26 121.89 1uls h ALA 20 Ca 0.05 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1uls h ALA 20 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1uls h ALA 20 CO 0.00 0.33 -0.62 1.15 0.00 0.00 0.00 179.25 180.11 1uls h THR 21 N 0.41 1.37 -0.23 0.00 2.02 -0.76 -1.63 112.91 114.09 1uls h THR 21 Ca 0.10 -1.98 -0.02 0.00 0.77 0.00 0.00 66.41 65.28 1uls h THR 21 Cb 0.20 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1uls h THR 21 CO -0.00 0.59 0.07 -0.07 0.37 0.00 0.00 175.52 176.48 1uls h LEU 22 N 0.26 0.33 -0.30 2.58 3.38 -0.01 -0.23 115.31 121.32 1uls h LEU 22 Ca -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1uls h LEU 22 Cb 1.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1uls h LEU 22 CO 0.10 0.46 0.20 -0.33 0.09 0.00 0.00 178.44 178.96 1uls h GLU 23 N 0.19 0.40 -0.23 1.13 5.08 -1.21 0.19 114.58 120.13 1uls h GLU 23 Ca 0.07 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1uls h GLU 23 Cb 0.24 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1uls h GLU 23 CO -0.00 0.27 -0.01 1.25 -1.00 0.00 0.00 179.01 179.51 1uls h LEU 24 N 0.41 0.41 -1.72 1.33 6.46 -1.23 -2.40 115.31 118.57 1uls h LEU 24 Ca 0.11 -0.32 -0.03 0.00 -0.12 0.00 0.00 57.88 57.51 1uls h LEU 24 Cb -0.04 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1uls h LEU 24 CO -0.02 0.63 -0.15 -0.26 -0.62 0.00 0.00 178.44 178.02 1uls h PHE 25 N 0.17 0.00 -0.26 1.25 -1.00 -0.92 -1.16 116.94 115.02 1uls h PHE 25 Ca 0.06 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.72 1uls h PHE 25 Cb 0.43 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.99 1uls h PHE 25 CO 0.04 0.15 -0.31 0.00 -1.61 0.00 0.00 178.31 176.58 1uls h ALA 26 N 1.85 0.38 -0.25 2.45 0.00 -0.72 -2.04 119.26 120.93 1uls h ALA 26 Ca -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1uls h ALA 26 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1uls h ALA 26 CO 0.02 0.42 -0.05 0.87 0.00 0.00 0.00 179.25 180.50 1uls h LYS 27 N 0.39 0.38 0.00 0.00 1.57 -0.87 -1.54 116.57 116.51 1uls h LYS 27 Ca 0.03 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1uls h LYS 27 Cb 0.89 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1uls h LYS 27 CO 0.07 0.46 0.00 0.39 -0.57 0.00 0.00 179.45 179.80 1uls n GLU 28 N -4.29 0.91 -0.99 3.15 -0.58 -0.51 -4.88 120.64 113.46 1uls n GLU 28 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1uls n GLU 28 Cb 0.25 -1.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 1uls n GLU 28 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uls n GLY 29 N 0.43 0.40 3.84 0.62 0.00 -0.58 -1.58 105.19 108.32 1uls n GLY 29 Ca 0.01 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 1uls n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uls s ALA 30 N -2.00 3.18 -0.46 4.61 0.00 -0.79 -0.31 121.76 125.99 1uls s ALA 30 Ca 0.00 0.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.93 1uls s ALA 30 Cb 0.00 -2.95 0.04 0.00 0.00 0.00 0.00 23.12 20.21 1uls s ALA 30 CO 0.00 0.11 0.56 1.03 0.00 0.00 0.00 175.76 177.47 1uls s ARG 31 N -3.36 3.14 0.12 0.00 0.52 -0.47 -4.74 118.95 114.15 1uls s ARG 31 Ca 0.57 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 55.05 1uls s ARG 31 Cb -0.10 -4.03 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 1uls s ARG 31 CO 0.20 -1.05 0.22 -0.51 0.02 0.00 0.00 175.30 174.18 1uls s LEU 32 N 2.48 4.18 -0.12 2.53 1.43 -1.26 -1.77 118.68 126.15 1uls s LEU 32 Ca 0.15 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1uls s LEU 32 Cb -0.18 -2.78 0.03 0.00 0.03 0.00 0.00 46.19 43.30 1uls s LEU 32 CO 0.14 0.09 -0.06 -0.69 0.23 0.00 0.00 176.35 176.06 1uls s VAL 33 N -1.65 0.96 -0.23 -1.59 1.01 -0.75 -0.94 120.40 117.21 1uls s VAL 33 Ca 0.33 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1uls s VAL 33 Cb -0.11 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1uls s VAL 33 CO 0.27 0.29 0.11 0.00 0.00 0.00 0.00 175.10 175.77 1uls s ALA 34 N 1.73 3.46 -0.04 5.51 0.00 0.31 -1.86 121.76 130.87 1uls s ALA 34 Ca 0.04 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1uls s ALA 34 Cb -0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 1uls s ALA 34 CO -0.08 -0.15 -0.22 0.00 0.00 0.00 0.00 175.76 175.32 1uls s ASP 36 N -0.58 -0.08 0.05 0.00 -1.08 -1.23 -0.49 116.67 113.25 1uls s ASP 36 Ca 0.09 -0.61 0.01 0.00 -0.52 0.00 0.00 52.55 51.52 1uls s ASP 36 Cb -0.11 0.54 -0.26 0.00 -1.46 0.00 0.00 42.92 41.64 1uls s ASP 36 CO 0.00 -1.04 1.02 -0.29 0.52 0.00 0.00 175.17 175.38 1uls h ILE 37 N 2.00 1.36 -3.69 4.11 6.09 -1.95 -3.40 117.51 122.04 1uls h ILE 37 Ca -0.26 -3.02 -0.66 0.00 -1.37 0.00 0.00 64.86 59.54 1uls h ILE 37 Cb 1.23 2.80 -0.22 0.00 0.47 0.00 0.00 36.82 41.10 1uls h ILE 37 CO 0.31 0.85 -0.56 -1.61 -3.07 0.00 0.00 178.15 174.07 1uls s GLU 38 N -2.65 3.50 0.15 2.19 2.02 -1.26 -4.96 118.70 117.69 1uls s GLU 38 Ca -0.05 -0.61 -0.18 0.00 0.02 0.00 0.00 54.97 54.15 1uls s GLU 38 Cb 0.08 -3.54 0.04 0.00 0.10 0.00 0.00 34.13 30.80 1uls s GLU 38 CO 0.85 -0.34 1.69 1.49 0.02 0.00 0.00 175.26 178.97 1uls h GLU 39 N 8.34 -0.00 -0.02 1.61 4.81 -1.99 -2.37 114.58 124.95 1uls h GLU 39 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1uls h GLU 39 Cb 1.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1uls h GLU 39 CO 0.60 -0.00 -0.06 0.78 -0.73 0.00 0.00 179.01 179.60 1uls h GLY 40 N -0.00 -1.65 2.00 1.92 0.00 -2.00 0.21 103.07 103.55 1uls h GLY 40 Ca 0.15 0.73 -0.01 0.00 0.00 0.00 0.00 47.33 48.20 1uls h GLY 40 CO -0.31 -0.60 -0.04 -0.56 0.00 0.00 0.00 176.54 175.02 1uls h PRO 41 N -0.05 0.00 0.21 4.80 0.13 -1.99 -2.86 132.00 132.24 1uls h PRO 41 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1uls h PRO 41 Cb 0.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1uls h PRO 41 CO -0.05 0.04 -0.10 1.25 -0.23 0.00 0.00 178.00 178.91 1uls h LEU 42 N 0.00 -0.24 -0.95 1.56 6.46 -0.85 -2.13 115.31 119.16 1uls h LEU 42 Ca -0.00 -0.28 0.12 0.00 -0.12 0.00 0.00 57.88 57.60 1uls h LEU 42 Cb 0.20 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.11 1uls h LEU 42 CO 0.01 0.21 0.58 0.03 -0.62 0.00 0.00 178.44 178.64 1uls h ARG 43 N -0.77 0.88 0.22 1.25 3.08 -0.80 0.10 114.38 118.34 1uls h ARG 43 Ca -0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1uls h ARG 43 Cb 0.51 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1uls h ARG 43 CO 0.05 0.58 -0.11 1.49 -1.07 0.00 0.00 179.97 180.92 1uls h GLU 44 N 0.91 -0.28 -0.73 0.04 4.81 -1.52 -0.26 114.58 117.53 1uls h GLU 44 Ca 0.47 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.70 1uls h GLU 44 Cb 0.49 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1uls h GLU 44 CO -0.27 -0.11 0.38 0.00 -0.73 0.00 0.00 179.01 178.28 1uls h ALA 45 N 0.36 0.94 -0.04 2.92 0.00 -0.72 -2.00 119.26 120.71 1uls h ALA 45 Ca -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1uls h ALA 45 Cb 0.31 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uls h ALA 45 CO 0.05 0.48 -0.00 0.00 0.00 0.00 0.00 179.25 179.77 1uls h ALA 46 N 1.19 0.06 -0.85 0.00 0.00 -0.74 -3.22 119.26 115.70 1uls h ALA 46 Ca 0.26 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1uls h ALA 46 Cb 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1uls h ALA 46 CO -0.04 -0.26 0.56 0.93 0.00 0.00 0.00 179.25 180.44 1uls h GLU 47 N -0.24 1.09 0.00 0.00 5.08 -0.97 0.74 114.58 120.27 1uls h GLU 47 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1uls h GLU 47 Cb 0.35 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1uls h GLU 47 CO 0.00 0.72 0.17 0.00 -1.00 0.00 0.00 179.01 178.91 1uls h ALA 48 N 1.32 1.15 0.00 3.43 0.00 -1.37 -1.89 119.26 121.90 1uls h ALA 48 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1uls h ALA 48 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1uls h ALA 48 CO -0.08 -0.15 -0.20 0.28 0.00 0.00 0.00 179.25 179.10 1uls n VAL 49 N -2.60 0.00 -0.89 0.00 0.31 -0.68 -5.02 118.33 109.46 1uls n VAL 49 Ca -0.02 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1uls n VAL 49 Cb 0.22 0.91 0.00 0.00 -0.91 0.00 0.00 33.84 34.06 1uls n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uls n GLY 50 N 1.27 0.56 3.93 2.92 0.00 0.08 -4.94 105.19 109.00 1uls n GLY 50 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 1uls n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uls s ALA 51 N -2.00 3.60 -0.27 4.61 0.00 -0.18 -4.77 121.76 122.75 1uls s ALA 51 Ca 0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 1uls s ALA 51 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 1uls s ALA 51 CO 0.00 -0.17 0.48 -1.58 0.00 0.00 0.00 175.76 174.49 1uls s HIS 52 N -2.48 3.26 0.05 0.00 2.46 -0.12 -4.33 115.29 114.13 1uls s HIS 52 Ca 0.43 0.56 -0.30 0.00 0.47 0.00 0.00 55.06 56.22 1uls s HIS 52 Cb -0.10 -2.69 -0.05 0.00 -0.13 0.00 0.00 32.58 29.61 1uls s HIS 52 CO 0.39 -0.28 1.07 -1.25 -2.47 0.00 0.00 174.74 172.20 1uls s PRO 53 N 2.25 4.53 -0.19 2.88 0.04 -1.26 -0.53 135.00 142.73 1uls s PRO 53 Ca 0.19 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 1uls s PRO 53 Cb -0.16 -3.39 0.06 0.00 0.04 0.00 0.00 34.50 31.06 1uls s PRO 53 CO 0.09 -0.08 0.09 0.08 0.04 0.00 0.00 177.00 177.22 1uls s VAL 54 N 0.78 -0.02 0.92 -0.36 1.01 -0.05 -4.92 120.40 117.75 1uls s VAL 54 Ca 0.53 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 1uls s VAL 54 Cb -0.25 -0.67 0.14 0.00 0.00 0.00 0.00 36.38 35.60 1uls s VAL 54 CO 0.29 -0.33 1.09 -0.69 0.00 0.00 0.00 175.10 175.47 1uls s VAL 55 N 2.10 2.57 -0.40 2.92 1.01 -1.26 -3.52 120.40 123.83 1uls s VAL 55 Ca 0.03 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.26 1uls s VAL 55 Cb -0.16 -2.56 0.17 0.00 0.00 0.00 0.00 36.38 33.83 1uls s VAL 55 CO -0.12 -0.24 0.57 -0.62 0.00 0.00 0.00 175.10 174.68 1uls s ASP 57 N -3.22 -0.88 0.19 3.32 -1.08 -1.26 -4.81 116.67 108.94 1uls s ASP 57 Ca 0.64 -0.93 0.07 0.00 -0.52 0.00 0.00 52.55 51.81 1uls s ASP 57 Cb -0.19 1.63 0.40 0.00 -1.46 0.00 0.00 42.92 43.29 1uls s ASP 57 CO 0.58 -0.20 1.07 1.33 0.52 0.00 0.00 175.17 178.47 1uls n VAL 58 N 4.42 0.78 0.85 1.11 0.24 -1.26 0.25 118.33 124.73 1uls n VAL 58 Ca 0.11 0.65 0.12 0.00 -2.04 0.00 0.00 64.34 63.17 1uls n VAL 58 Cb 0.54 -1.65 0.23 0.00 -1.47 0.00 0.00 33.84 31.49 1uls n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uls n ALA 59 N -1.44 3.32 -2.94 2.33 0.00 -1.26 -4.25 120.51 116.27 1uls n ALA 59 Ca -0.00 -0.31 -0.39 0.00 0.00 0.00 0.00 53.44 52.73 1uls n ALA 59 Cb 0.30 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 1uls n ALA 59 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uls s ASP 60 N -3.40 5.48 0.24 0.00 3.68 0.14 -4.95 116.67 117.86 1uls s ASP 60 Ca 0.09 -0.66 -0.06 0.00 2.13 0.00 0.00 52.55 54.06 1uls s ASP 60 Cb 0.16 -1.98 0.43 0.00 -1.45 0.00 0.00 42.92 40.08 1uls s ASP 60 CO 0.71 -0.23 1.69 -0.65 0.13 0.00 0.00 175.17 176.82 1uls h PRO 61 N 8.34 0.26 -0.17 4.34 0.11 -1.86 -0.68 132.00 142.33 1uls h PRO 61 Ca -0.31 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.64 1uls h PRO 61 Cb 1.13 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1uls h PRO 61 CO 0.62 0.17 -0.50 0.00 -0.21 0.00 0.00 178.00 178.08 1uls h ALA 62 N 1.59 0.81 -0.56 -0.75 0.00 -1.94 -1.49 119.26 116.91 1uls h ALA 62 Ca 0.40 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1uls h ALA 62 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1uls h ALA 62 CO -0.49 0.67 -0.09 1.03 0.00 0.00 0.00 179.25 180.37 1uls h SER 63 N 0.37 1.05 -0.51 0.00 0.87 -1.57 -0.17 113.55 113.59 1uls h SER 63 Ca 0.02 -0.34 -0.11 0.00 -1.23 0.00 0.00 61.79 60.12 1uls h SER 63 Cb 1.01 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 1uls h SER 63 CO 0.09 1.15 -0.12 0.58 -0.53 0.00 0.00 176.83 177.99 1uls h VAL 64 N 0.94 1.27 0.07 2.23 2.07 -1.06 -0.57 116.25 121.21 1uls h VAL 64 Ca 0.15 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 1uls h VAL 64 Cb 0.66 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1uls h VAL 64 CO 0.05 0.44 -0.04 -0.08 0.02 0.00 0.00 177.57 177.97 1uls h GLU 65 N 0.85 -0.10 -0.57 1.57 4.81 -1.03 -1.68 114.58 118.43 1uls h GLU 65 Ca 0.13 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1uls h GLU 65 Cb 0.69 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1uls h GLU 65 CO 0.05 0.08 0.37 0.00 -0.73 0.00 0.00 179.01 178.77 1uls h ARG 66 N -0.25 0.72 -0.25 1.92 3.08 -0.97 -1.98 114.38 116.65 1uls h ARG 66 Ca -0.01 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.04 1uls h ARG 66 Cb 0.22 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 1uls h ARG 66 CO 0.02 0.47 -0.03 0.78 -1.07 0.00 0.00 179.97 180.14 1uls h GLY 67 N 0.74 0.21 2.00 0.04 0.00 -0.95 -1.54 103.07 103.56 1uls h GLY 67 Ca 0.22 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 1uls h GLY 67 CO -0.07 -0.07 -0.25 0.74 0.00 0.00 0.00 176.54 176.89 1uls h PHE 68 N 0.03 0.00 -0.45 5.60 -1.00 -0.99 -0.21 116.94 119.93 1uls h PHE 68 Ca 0.12 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.76 1uls h PHE 68 Cb 0.17 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1uls h PHE 68 CO -0.23 0.25 -0.27 0.00 -1.61 0.00 0.00 178.31 176.45 1uls h ALA 69 N 1.75 0.63 -0.15 2.45 0.00 -0.72 -0.38 119.26 122.84 1uls h ALA 69 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1uls h ALA 69 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1uls h ALA 69 CO 0.03 0.66 0.06 0.93 0.00 0.00 0.00 179.25 180.93 1uls h GLU 70 N 0.81 0.23 -0.16 0.00 5.08 -0.65 -0.79 114.58 119.10 1uls h GLU 70 Ca 0.09 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1uls h GLU 70 Cb 0.86 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 1uls h GLU 70 CO 0.08 0.34 -0.22 0.00 -1.00 0.00 0.00 179.01 178.20 1uls h ALA 71 N 0.89 -0.16 -0.87 3.43 0.00 -0.89 0.07 119.26 121.72 1uls h ALA 71 Ca 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1uls h ALA 71 Cb 0.20 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1uls h ALA 71 CO -0.00 -0.67 0.49 -0.07 0.00 0.00 0.00 179.25 178.99 1uls h LEU 72 N -0.27 1.09 -1.08 0.00 -0.00 -0.98 0.65 115.31 114.71 1uls h LEU 72 Ca 0.11 -0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1uls h LEU 72 Cb 0.43 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.78 1uls h LEU 72 CO -0.32 0.87 0.36 0.00 -0.00 0.00 0.00 178.44 179.36 1uls h ALA 73 N 1.26 1.29 0.14 1.53 0.00 -0.47 1.23 119.26 124.25 1uls h ALA 73 Ca 0.31 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.79 1uls h ALA 73 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1uls h ALA 73 CO -0.05 0.56 -1.44 1.25 0.00 0.00 0.00 179.25 179.57 1uls h HIS 74 N 1.01 0.55 0.05 0.00 -0.00 -0.32 -3.38 115.15 113.05 1uls h HIS 74 Ca 0.25 -0.40 -0.35 0.00 -0.00 0.00 0.00 60.37 59.87 1uls h HIS 74 Cb 0.07 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.41 1uls h HIS 74 CO 0.01 1.39 -2.06 1.28 -0.00 0.00 0.00 177.93 178.55 1uls n LEU 75 N -3.52 1.78 0.00 0.26 4.77 0.22 -4.99 117.00 115.51 1uls n LEU 75 Ca -0.14 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1uls n LEU 75 Cb 1.05 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1uls n LEU 75 CO 0.53 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 1uls n GLY 76 N 1.87 2.47 3.78 -0.72 0.00 0.42 -4.93 105.19 108.10 1uls n GLY 76 Ca -0.30 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 1uls n GLY 76 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1uls s ARG 77 N -0.27 1.08 -0.10 1.61 1.70 -1.26 -5.03 118.95 116.68 1uls s ARG 77 Ca 0.00 -0.64 -0.02 0.00 -0.47 0.00 0.00 55.73 54.61 1uls s ARG 77 Cb 0.00 0.34 0.03 0.00 -0.57 0.00 0.00 34.95 34.75 1uls s ARG 77 CO 0.00 -0.50 0.01 -0.51 -1.08 0.00 0.00 175.30 173.22 1uls s LEU 78 N -3.14 0.72 -0.10 -1.89 1.43 -1.26 -4.80 118.68 109.65 1uls s LEU 78 Ca 0.16 -0.25 0.17 0.00 -1.03 0.00 0.00 54.13 53.18 1uls s LEU 78 Cb -0.01 -0.48 -0.23 0.00 0.03 0.00 0.00 46.19 45.50 1uls s LEU 78 CO 0.02 -0.22 0.40 0.47 0.23 0.00 0.00 176.35 177.25 1uls n ASP 79 N 5.12 0.38 -3.49 2.29 8.00 0.85 -4.88 116.55 124.82 1uls n ASP 79 Ca -0.08 0.18 -0.10 0.00 0.71 0.00 0.00 54.79 55.50 1uls n ASP 79 Cb 0.49 0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 42.23 1uls n ASP 79 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1uls s GLY 80 N -5.18 -0.49 -0.01 0.44 0.00 -0.94 -2.01 107.32 99.13 1uls s GLY 80 Ca -0.07 1.00 0.01 0.00 0.00 0.00 0.00 44.72 45.65 1uls s GLY 80 CO 0.83 0.38 -0.01 0.14 0.00 0.00 0.00 173.10 174.44 1uls s VAL 81 N -3.01 0.17 -0.19 1.40 1.01 -0.78 -1.99 120.40 117.01 1uls s VAL 81 Ca 0.03 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1uls s VAL 81 Cb -0.01 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.21 1uls s VAL 81 CO -0.08 0.08 -0.15 -0.69 0.00 0.00 0.00 175.10 174.26 1uls s VAL 82 N 0.32 1.89 -0.26 2.92 1.01 -0.10 -0.99 120.40 125.18 1uls s VAL 82 Ca -0.03 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 1uls s VAL 82 Cb -0.05 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1uls s VAL 82 CO -0.01 0.33 0.14 -2.28 0.00 0.00 0.00 175.10 173.29 1uls s HIS 83 N 1.32 3.18 -0.01 5.22 2.46 0.16 -1.97 115.29 125.64 1uls s HIS 83 Ca 0.01 -0.07 0.01 0.00 0.47 0.00 0.00 55.06 55.48 1uls s HIS 83 Cb -0.15 -2.31 -0.02 0.00 -0.13 0.00 0.00 32.58 29.97 1uls s HIS 83 CO -0.10 -0.20 0.01 0.66 -2.47 0.00 0.00 174.74 172.63 1uls n TYR 84 N 4.90 0.00 -1.56 3.88 0.53 -1.22 -2.01 117.16 121.68 1uls n TYR 84 Ca -0.15 0.00 -0.61 0.00 -1.02 0.00 0.00 57.90 56.13 1uls n TYR 84 Cb 0.52 -0.07 -0.09 0.00 -1.03 0.00 0.00 39.34 38.67 1uls n TYR 84 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1uls n ALA 85 N -2.02 -1.44 -3.61 -0.72 0.00 -1.26 -4.88 120.51 106.59 1uls n ALA 85 Ca -0.02 0.46 -0.07 0.00 0.00 0.00 0.00 53.44 53.81 1uls n ALA 85 Cb 0.51 -1.72 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 1uls n ALA 85 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1uls s GLY 86 N 2.44 -0.38 0.12 0.00 0.00 -1.26 -4.78 107.32 103.46 1uls s GLY 86 Ca 0.93 0.49 -0.07 0.00 0.00 0.00 0.00 44.72 46.08 1uls s GLY 86 CO 0.72 0.15 0.19 -0.26 0.00 0.00 0.00 173.10 173.90 1uls s ILE 87 N -3.37 0.11 0.10 0.90 -4.36 -1.26 -5.05 121.20 108.28 1uls s ILE 87 Ca 0.07 -1.43 0.04 0.00 -0.26 0.00 0.00 60.65 59.07 1uls s ILE 87 Cb -0.02 -1.67 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 1uls s ILE 87 CO -0.04 -0.51 -0.11 0.42 0.24 0.00 0.00 174.94 174.94 1uls s THR 88 N -3.94 1.03 -0.46 8.37 -4.23 -1.26 -4.91 115.64 110.24 1uls s THR 88 Ca 0.13 -1.68 0.06 0.00 -1.18 0.00 0.00 61.69 59.03 1uls s THR 88 Cb 0.05 -1.42 0.22 0.00 1.34 0.00 0.00 72.50 72.69 1uls s THR 88 CO -0.04 -0.54 0.67 -1.14 -0.54 0.00 0.00 174.62 173.03 1uls n ARG 89 N 0.51 0.61 -1.89 3.99 3.00 -1.26 -5.05 116.66 116.56 1uls n ARG 89 Ca -0.16 -2.39 -0.35 0.00 -0.00 0.00 0.00 57.85 54.96 1uls n ARG 89 Cb 0.58 -1.44 0.04 0.00 0.00 0.00 0.00 32.46 31.64 1uls n ARG 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1uls s ASP 90 N -0.66 5.08 0.00 6.15 1.01 -1.26 -4.91 116.67 122.09 1uls s ASP 90 Ca 0.32 2.26 0.00 0.00 0.71 0.00 0.00 52.55 55.84 1uls s ASP 90 Cb 0.13 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1uls s ASP 90 CO -0.16 -1.66 0.00 0.59 0.21 0.00 0.00 175.17 174.15 1uls n ASN 91 N -1.93 0.00 -4.75 0.27 3.02 0.17 -5.03 115.26 107.00 1uls n ASN 91 Ca 0.12 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.32 1uls n ASN 91 Cb 0.50 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.72 1uls n ASN 91 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1uls s PHE 92 N -1.47 2.35 0.29 3.10 0.40 -1.26 -4.08 117.98 117.31 1uls s PHE 92 Ca 0.00 1.53 0.03 0.00 -0.60 0.00 0.00 56.93 57.89 1uls s PHE 92 Cb 0.00 -3.46 0.62 0.00 0.51 0.00 0.00 43.02 40.69 1uls s PHE 92 CO 0.00 -2.25 1.81 1.12 0.70 0.00 0.00 175.22 176.61 1uls h HIS 93 N 0.63 1.12 0.00 0.36 2.07 -2.00 -0.79 115.15 116.54 1uls h HIS 93 Ca -0.50 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1uls h HIS 93 Cb 1.29 -0.35 0.00 0.00 2.57 0.00 0.00 27.41 30.93 1uls h HIS 93 CO 0.47 0.37 0.00 0.11 -3.07 0.00 0.00 177.93 175.81 1uls h TRP 94 N 0.91 0.00 -3.50 6.12 0.09 -2.04 -3.45 115.95 114.08 1uls h TRP 94 Ca 0.53 0.00 -0.70 0.00 0.09 0.00 0.00 58.89 58.81 1uls h TRP 94 Cb 0.65 0.00 -0.36 0.00 0.08 0.00 0.00 29.16 29.53 1uls h TRP 94 CO -0.00 0.00 -0.32 0.15 0.09 0.00 0.00 178.44 178.35 1uls s LYS 95 N -3.58 2.69 -0.03 0.12 1.02 -0.31 -5.18 119.74 114.47 1uls s LYS 95 Ca 0.00 -2.70 -0.03 0.00 0.02 0.00 0.00 55.97 53.26 1uls s LYS 95 Cb 0.09 -3.76 0.01 0.00 -0.52 0.00 0.00 37.83 33.65 1uls s LYS 95 CO 0.35 -1.19 0.09 -1.25 -0.92 0.00 0.00 175.35 172.43 1uls s PRO 97 N -0.35 0.14 0.30 -1.68 0.04 -1.26 -4.85 135.00 127.33 1uls s PRO 97 Ca 0.19 0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.35 1uls s PRO 97 Cb -0.18 0.06 0.78 0.00 0.04 0.00 0.00 34.50 35.20 1uls s PRO 97 CO -0.05 -0.02 1.64 1.25 0.04 0.00 0.00 177.00 179.86 1uls h LEU 98 N 5.87 0.05 -0.75 -3.56 6.46 -1.99 0.13 115.31 121.52 1uls h LEU 98 Ca -0.25 0.20 0.14 0.00 -0.12 0.00 0.00 57.88 57.85 1uls h LEU 98 Cb 1.20 0.26 -0.09 0.00 -0.73 0.00 0.00 40.66 41.30 1uls h LEU 98 CO 0.45 -0.17 0.29 1.05 -0.62 0.00 0.00 178.44 179.44 1uls h GLU 99 N 0.21 0.43 -0.06 1.25 4.11 -2.04 0.15 114.58 118.63 1uls h GLU 99 Ca 0.59 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 59.89 1uls h GLU 99 Cb 1.22 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1uls h GLU 99 CO -0.67 0.28 -0.42 -0.44 0.07 0.00 0.00 179.01 177.84 1uls h ASP 100 N 0.44 0.13 -0.04 3.06 3.32 -1.16 -1.11 116.42 121.05 1uls h ASP 100 Ca 0.41 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 1uls h ASP 100 Cb 0.61 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1uls h ASP 100 CO -0.40 0.53 -0.05 -0.25 -1.72 0.00 0.00 179.24 177.35 1uls h TRP 101 N 0.10 0.13 -0.01 4.55 2.91 -0.71 -3.03 115.95 119.89 1uls h TRP 101 Ca 0.01 -0.04 -0.06 0.00 1.13 0.00 0.00 58.89 59.93 1uls h TRP 101 Cb 0.79 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.40 1uls h TRP 101 CO 0.01 0.60 -0.27 0.93 -1.03 0.00 0.00 178.44 178.67 1uls h GLU 102 N -0.37 0.03 0.11 2.65 5.08 -0.69 -2.78 114.58 118.60 1uls h GLU 102 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1uls h GLU 102 Cb 0.58 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1uls h GLU 102 CO 0.01 0.30 -0.05 1.25 -1.00 0.00 0.00 179.01 179.52 1uls h LEU 103 N 0.02 -0.12 -1.57 1.33 5.85 -1.21 -1.44 115.31 118.17 1uls h LEU 103 Ca 0.00 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 1uls h LEU 103 Cb 0.50 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1uls h LEU 103 CO 0.04 0.36 -0.11 -0.37 -0.34 0.00 0.00 178.44 178.01 1uls h VAL 104 N -0.64 1.14 -0.23 1.05 -1.51 -1.52 -0.67 116.25 113.86 1uls h VAL 104 Ca -0.01 -0.60 -0.11 0.00 -1.23 0.00 0.00 66.70 64.75 1uls h VAL 104 Cb 0.50 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1uls h VAL 104 CO 0.02 0.18 -0.28 -0.07 -1.23 0.00 0.00 177.57 176.20 1uls h LEU 105 N 0.13 0.65 -0.18 4.19 3.38 -1.49 0.11 115.31 122.11 1uls h LEU 105 Ca 0.03 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1uls h LEU 105 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1uls h LEU 105 CO 0.02 1.01 0.09 -0.09 0.09 0.00 0.00 178.44 179.56 1uls h ARG 106 N 0.30 0.25 0.28 1.13 2.43 -0.77 -0.67 114.38 117.32 1uls h ARG 106 Ca 0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1uls h ARG 106 Cb 0.85 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1uls h ARG 106 CO 0.07 0.25 -0.13 0.28 -1.51 0.00 0.00 179.97 178.93 1uls h VAL 107 N 0.17 0.52 0.23 0.20 2.07 -1.17 -1.26 116.25 117.01 1uls h VAL 107 Ca 0.06 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1uls h VAL 107 Cb 0.08 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1uls h VAL 107 CO -0.01 0.12 -0.11 0.78 0.02 0.00 0.00 177.57 178.37 1uls h ASN 108 N -0.95 -0.26 0.09 0.57 2.35 -0.86 -2.45 115.58 114.06 1uls h ASN 108 Ca -0.04 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1uls h ASN 108 Cb 0.49 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1uls h ASN 108 CO 0.06 0.22 -0.04 0.25 -1.65 0.00 0.00 177.43 176.28 1uls h LEU 109 N -0.87 -0.10 -1.28 1.61 5.85 -1.28 -2.94 115.31 116.30 1uls h LEU 109 Ca -0.03 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1uls h LEU 109 Cb 0.51 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1uls h LEU 109 CO 0.05 0.40 0.29 0.74 -0.34 0.00 0.00 178.44 179.58 1uls h THR 110 N -1.03 1.18 -0.52 1.05 2.02 -1.20 -1.50 112.91 112.91 1uls h THR 110 Ca -0.01 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1uls h THR 110 Cb 0.10 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1uls h THR 110 CO 0.02 0.20 0.31 1.23 0.37 0.00 0.00 175.52 177.65 1uls h GLY 111 N 0.87 0.74 1.56 2.16 0.00 -0.72 0.81 103.07 108.51 1uls h GLY 111 Ca 0.20 -0.30 -0.20 0.00 0.00 0.00 0.00 47.33 47.03 1uls h GLY 111 CO -0.03 0.29 -0.80 1.76 0.00 0.00 0.00 176.54 177.77 1uls h SER 112 N 0.71 0.51 -0.14 0.19 0.02 -1.11 -2.28 113.55 111.45 1uls h SER 112 Ca 0.19 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1uls h SER 112 Cb -0.02 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1uls h SER 112 CO -0.03 1.12 0.05 0.15 -1.14 0.00 0.00 176.83 176.97 1uls h PHE 113 N 0.27 0.21 -0.14 3.45 3.57 -0.49 0.12 116.94 123.93 1uls h PHE 113 Ca -0.05 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.46 1uls h PHE 113 Cb 1.39 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 40.04 1uls h PHE 113 CO 0.05 0.32 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.35 1uls h LEU 114 N 0.05 -0.12 -0.44 0.59 3.38 -0.85 0.11 115.31 118.02 1uls h LEU 114 Ca 0.04 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1uls h LEU 114 Cb 0.20 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1uls h LEU 114 CO -0.00 -0.04 -0.12 0.58 0.09 0.00 0.00 178.44 178.94 1uls h VAL 115 N 0.00 1.27 -0.67 1.22 2.07 -1.33 -1.38 116.25 117.43 1uls h VAL 115 Ca 0.07 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 1uls h VAL 115 Cb 0.10 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1uls h VAL 115 CO -0.14 0.42 0.14 0.00 0.02 0.00 0.00 177.57 178.01 1uls h ALA 116 N 0.86 0.89 -0.44 1.67 0.00 -0.59 0.41 119.26 122.06 1uls h ALA 116 Ca 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1uls h ALA 116 Cb 0.67 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1uls h ALA 116 CO 0.05 0.63 0.14 -0.22 0.00 0.00 0.00 179.25 179.85 1uls h LYS 117 N 1.02 0.68 -0.10 0.00 3.64 -0.71 0.52 116.57 121.62 1uls h LYS 117 Ca 0.21 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1uls h LYS 117 Cb 0.40 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1uls h LYS 117 CO 0.01 0.66 0.01 0.00 -2.27 0.00 0.00 179.45 177.86 1uls h ALA 118 N 0.99 0.13 -0.28 5.00 0.00 -1.02 -0.70 119.26 123.38 1uls h ALA 118 Ca 0.14 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1uls h ALA 118 Cb 0.26 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1uls h ALA 118 CO -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 179.25 178.99 1uls h ALA 119 N 0.77 0.20 -0.35 0.00 0.00 -0.80 -1.46 119.26 117.62 1uls h ALA 119 Ca 0.03 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1uls h ALA 119 Cb 0.31 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1uls h ALA 119 CO 0.00 -0.45 0.18 1.03 0.00 0.00 0.00 179.25 180.01 1uls h SER 120 N 0.02 0.27 -0.85 0.00 0.87 -0.79 -2.30 113.55 110.76 1uls h SER 120 Ca 0.13 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.78 1uls h SER 120 Cb 0.20 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.06 1uls h SER 120 CO -0.27 0.20 0.56 -0.08 -0.53 0.00 0.00 176.83 176.70 1uls h GLU 121 N 0.37 0.89 -0.16 2.24 4.22 -0.65 0.37 114.58 121.86 1uls h GLU 121 Ca 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1uls h GLU 121 Cb 0.05 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1uls h GLU 121 CO -0.10 0.59 0.00 0.00 -2.18 0.00 0.00 179.01 177.32 1uls n ALA 122 N -2.41 2.04 -1.17 2.92 0.00 -0.59 -4.97 120.51 116.32 1uls n ALA 122 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1uls n ALA 122 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1uls n ALA 122 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1uls n ARG 124 N -0.31 0.00 -0.96 0.00 0.63 0.13 -4.56 116.66 111.60 1uls n ARG 124 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1uls n ARG 124 Cb 0.04 -0.39 0.00 0.00 0.45 0.00 0.00 32.46 32.56 1uls n ARG 124 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1uls n GLU 125 N 1.14 -0.46 -0.05 -0.14 1.02 -1.26 -4.81 120.64 116.08 1uls n GLU 125 Ca 0.00 0.12 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 1uls n GLU 125 Cb 0.00 -3.50 -0.04 0.00 -0.02 0.00 0.00 31.44 27.89 1uls n GLU 125 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1uls n LYS 126 N -1.81 0.21 -3.52 3.49 4.01 -1.26 -5.11 118.16 114.17 1uls n LYS 126 Ca 0.00 0.08 -0.09 0.00 -0.51 0.00 0.00 58.31 57.78 1uls n LYS 126 Cb 0.12 -0.98 -0.03 0.00 -0.51 0.00 0.00 35.03 33.63 1uls n LYS 126 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1uls s ASN 127 N -5.47 -0.37 1.08 4.39 4.22 -1.26 -5.16 114.94 112.36 1uls s ASN 127 Ca -0.13 0.12 -0.13 0.00 -2.14 0.00 0.00 52.86 50.57 1uls s ASN 127 Cb 0.04 0.36 0.23 0.00 1.28 0.00 0.00 41.25 43.17 1uls s ASN 127 CO 0.19 -0.55 1.07 -2.16 -2.04 0.00 0.00 177.10 173.61 1uls s PRO 128 N -2.58 -0.20 -0.03 3.55 0.04 -1.26 -4.56 135.00 129.95 1uls s PRO 128 Ca 0.03 0.51 -0.27 0.00 0.04 0.00 0.00 61.00 61.32 1uls s PRO 128 Cb -0.01 -1.66 0.09 0.00 0.04 0.00 0.00 34.50 32.96 1uls s PRO 128 CO -0.06 -3.16 1.20 0.41 0.04 0.00 0.00 177.00 175.44 1uls n GLY 129 N -0.55 0.22 2.86 0.56 0.00 -0.68 -4.84 105.19 102.76 1uls n GLY 129 Ca 0.05 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.87 1uls n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uls s SER 130 N -3.65 0.53 -0.10 1.61 0.15 -0.85 -0.56 113.70 110.84 1uls s SER 130 Ca 0.28 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.92 1uls s SER 130 Cb -0.01 -0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1uls s SER 130 CO -0.01 -0.06 -0.24 -0.63 1.20 0.00 0.00 173.24 173.50 1uls s ILE 131 N 0.80 2.10 -0.22 6.45 1.01 0.95 -1.86 121.20 130.43 1uls s ILE 131 Ca -0.09 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.57 1uls s ILE 131 Cb -0.12 -1.79 0.04 0.00 0.01 0.00 0.00 42.46 40.60 1uls s ILE 131 CO -0.01 0.56 -0.13 -0.69 0.00 0.00 0.00 174.94 174.67 1uls s VAL 132 N 0.27 1.97 -0.05 2.92 1.01 -0.16 -1.47 120.40 124.88 1uls s VAL 132 Ca -0.17 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 60.51 1uls s VAL 132 Cb -0.17 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1uls s VAL 132 CO 0.08 0.17 0.14 -0.76 0.00 0.00 0.00 175.10 174.74 1uls s LEU 133 N 1.24 4.27 -0.31 3.92 1.43 -0.08 -0.66 118.68 128.49 1uls s LEU 133 Ca -0.03 0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 1uls s LEU 133 Cb -0.17 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 1uls s LEU 133 CO -0.08 0.33 0.15 -0.89 0.23 0.00 0.00 176.35 176.08 1uls s THR 134 N -1.17 4.55 0.00 5.49 2.01 -0.85 -0.57 115.64 125.09 1uls s THR 134 Ca 0.21 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.77 1uls s THR 134 Cb -0.12 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.06 1uls s THR 134 CO 0.12 0.06 0.00 0.00 -0.69 0.00 0.00 174.62 174.11 1uls n ALA 135 N 4.97 0.00 -3.63 7.40 0.00 0.17 -4.91 120.51 124.51 1uls n ALA 135 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 1uls n ALA 135 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 1uls n ALA 135 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uls s SER 136 N -1.00 -0.07 0.63 0.00 0.15 -1.25 -4.55 113.70 107.61 1uls s SER 136 Ca 0.00 0.05 0.35 0.00 0.70 0.00 0.00 55.95 57.06 1uls s SER 136 Cb 0.00 0.06 2.01 0.00 -1.71 0.00 0.00 66.02 66.38 1uls s SER 136 CO 0.00 -0.08 2.24 -0.09 1.20 0.00 0.00 173.24 176.52 1uls h ARG 137 N 2.07 0.00 0.00 5.44 1.12 -1.61 -0.85 114.38 120.55 1uls h ARG 137 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1uls h ARG 137 Cb 1.17 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.13 1uls h ARG 137 CO 0.22 0.00 0.00 0.28 -3.11 0.00 0.00 179.97 177.36 1uls n VAL 138 N -3.47 0.57 0.30 0.20 0.31 -1.26 -3.02 118.33 111.96 1uls n VAL 138 Ca -0.02 0.14 0.19 0.00 -0.01 0.00 0.00 64.34 64.64 1uls n VAL 138 Cb 0.15 -0.83 0.93 0.00 -0.91 0.00 0.00 33.84 33.18 1uls n VAL 138 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 1uls h TYR 139 N 0.00 0.00 -0.03 3.52 -0.00 -1.38 0.11 116.97 119.19 1uls h TYR 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1uls h TYR 139 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.97 1uls h TYR 139 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 1uls n LEU 140 N -2.90 0.34 0.00 0.10 4.77 -1.17 -4.52 117.00 113.62 1uls n LEU 140 Ca -0.01 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1uls n LEU 140 Cb 0.15 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1uls n LEU 140 CO 0.21 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1uls n GLY 141 N 0.87 2.25 3.62 -0.72 0.00 0.39 -5.07 105.19 106.54 1uls n GLY 141 Ca 0.15 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 1uls n GLY 141 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uls s ASN 142 N 0.00 -0.79 0.12 1.61 2.47 -1.26 -4.86 114.94 112.24 1uls s ASN 142 Ca 0.00 1.45 -0.35 0.00 0.42 0.00 0.00 52.86 54.38 1uls s ASN 142 Cb 0.00 1.43 -0.16 0.00 -1.45 0.00 0.00 41.25 41.07 1uls s ASN 142 CO 0.00 -0.25 1.23 0.18 -3.72 0.00 0.00 177.10 174.54 1uls n LEU 143 N 3.09 1.45 -1.10 3.21 4.77 -1.26 -1.55 117.00 125.60 1uls n LEU 143 Ca -0.15 1.13 -0.14 0.00 -0.03 0.00 0.00 56.01 56.81 1uls n LEU 143 Cb 0.56 -1.18 -0.06 0.00 -2.33 0.00 0.00 43.42 40.40 1uls n LEU 143 CO 0.02 -1.25 -0.14 0.61 -1.33 0.00 0.00 177.39 175.31 1uls n GLY 144 N 2.22 1.46 2.64 -0.72 0.00 -1.26 -4.90 105.19 104.63 1uls n GLY 144 Ca 0.17 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1uls n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uls n GLN 145 N -2.20 1.63 -0.23 1.61 6.02 -0.60 -0.66 117.38 122.96 1uls n GLN 145 Ca -0.14 -3.49 -0.04 0.00 -0.01 0.00 0.00 57.00 53.32 1uls n GLN 145 Cb 0.52 -1.47 0.07 0.00 1.02 0.00 0.00 30.24 30.38 1uls n GLN 145 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uls h ALA 146 N 2.85 0.86 -0.07 -1.58 0.00 -1.80 0.12 119.26 119.64 1uls h ALA 146 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1uls h ALA 146 Cb 1.17 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1uls h ALA 146 CO 0.50 0.15 -0.07 -2.95 0.00 0.00 0.00 179.25 176.88 1uls h ASN 147 N 0.78 0.19 -0.16 0.00 -1.07 -1.90 -1.14 115.58 112.28 1uls h ASN 147 Ca 0.27 -0.48 -0.00 0.00 0.07 0.00 0.00 56.30 56.15 1uls h ASN 147 Cb 0.04 -0.05 -0.01 0.00 -2.07 0.00 0.00 38.32 36.23 1uls h ASN 147 CO -0.12 0.64 0.08 0.22 0.07 0.00 0.00 177.43 178.33 1uls h TYR 148 N -0.25 0.23 -0.45 4.14 3.20 -1.88 -1.28 116.97 120.68 1uls h TYR 148 Ca 0.01 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1uls h TYR 148 Cb 0.58 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1uls h TYR 148 CO 0.09 0.24 0.22 0.00 -1.64 0.00 0.00 178.16 177.07 1uls h ALA 149 N 0.97 0.56 -0.55 1.82 0.00 -0.79 -2.78 119.26 118.48 1uls h ALA 149 Ca 0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1uls h ALA 149 Cb 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1uls h ALA 149 CO -0.01 -0.14 0.25 0.00 0.00 0.00 0.00 179.25 179.35 1uls h ALA 150 N 1.25 0.72 0.00 0.00 0.00 -1.07 0.42 119.26 120.58 1uls h ALA 150 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1uls h ALA 150 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1uls h ALA 150 CO -0.15 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.27 1uls n SER 151 N -4.54 0.66 0.00 0.00 3.41 -0.50 -1.78 113.62 110.88 1uls n SER 151 Ca 0.03 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1uls n SER 151 Cb 0.13 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1uls n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uls n ALA 153 N 0.44 0.00 -0.02 7.33 0.00 0.14 -1.84 120.51 126.56 1uls n ALA 153 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1uls n ALA 153 Cb 0.13 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.71 1uls n ALA 153 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1uls h GLY 154 N 0.00 0.65 1.02 0.00 0.00 -1.58 -2.39 103.07 100.77 1uls h GLY 154 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 1uls h GLY 154 CO 0.00 0.54 0.24 -2.08 0.00 0.00 0.00 176.54 175.24 1uls h VAL 155 N 0.51 1.25 -0.77 4.60 2.07 -1.65 0.15 116.25 122.41 1uls h VAL 155 Ca 0.06 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1uls h VAL 155 Cb 0.81 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1uls h VAL 155 CO 0.07 0.31 0.47 0.58 0.02 0.00 0.00 177.57 179.02 1uls h VAL 156 N 0.95 1.21 -0.38 2.57 2.07 -1.81 0.29 116.25 121.16 1uls h VAL 156 Ca 0.22 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 1uls h VAL 156 Cb 0.25 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1uls h VAL 156 CO -0.01 0.22 -0.16 1.23 0.02 0.00 0.00 177.57 178.87 1uls h GLY 157 N 1.05 0.75 0.83 2.17 0.00 -0.91 -1.85 103.07 105.11 1uls h GLY 157 Ca 0.28 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1uls h GLY 157 CO -0.05 0.53 0.00 -2.00 0.00 0.00 0.00 176.54 175.02 1uls h LEU 158 N 0.62 0.37 -0.11 3.11 5.85 0.06 -2.30 115.31 122.91 1uls h LEU 158 Ca 0.10 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1uls h LEU 158 Cb 0.62 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1uls h LEU 158 CO 0.04 0.59 -0.15 0.74 -0.34 0.00 0.00 178.44 179.32 1uls h THR 159 N 0.15 0.60 -0.97 1.05 2.02 -0.26 -0.02 112.91 115.48 1uls h THR 159 Ca 0.06 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.33 1uls h THR 159 Cb 0.39 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 1uls h THR 159 CO 0.01 0.00 0.61 0.03 0.37 0.00 0.00 175.52 176.54 1uls h ARG 160 N -0.19 1.01 -0.12 6.66 3.08 -1.24 0.79 114.38 124.36 1uls h ARG 160 Ca 0.09 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1uls h ARG 160 Cb 0.32 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1uls h ARG 160 CO -0.23 0.67 -0.15 1.15 -1.07 0.00 0.00 179.97 180.34 1uls h THR 161 N 1.04 1.36 -0.53 2.04 2.02 -0.92 -2.87 112.91 115.06 1uls h THR 161 Ca 0.45 -1.34 0.02 0.00 0.77 0.00 0.00 66.41 66.30 1uls h THR 161 Cb 0.31 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 1uls h THR 161 CO -0.22 0.39 0.35 -0.07 0.37 0.00 0.00 175.52 176.34 1uls h LEU 162 N -0.09 0.58 -0.87 2.58 4.07 -0.41 -1.49 115.31 119.67 1uls h LEU 162 Ca 0.02 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.85 1uls h LEU 162 Cb 0.69 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1uls h LEU 162 CO 0.03 0.41 -0.41 0.00 -1.08 0.00 0.00 178.44 177.39 1uls h ALA 163 N 1.68 1.04 -0.35 1.53 0.00 -0.81 -0.68 119.26 121.67 1uls h ALA 163 Ca 0.20 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1uls h ALA 163 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1uls h ALA 163 CO -0.05 0.61 -0.43 -0.07 0.00 0.00 0.00 179.25 179.31 1uls h LEU 164 N 0.26 0.96 -0.20 0.00 3.38 -1.08 -1.87 115.31 116.76 1uls h LEU 164 Ca 0.02 -0.46 -0.19 0.00 0.09 0.00 0.00 57.88 57.35 1uls h LEU 164 Cb 0.84 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1uls h LEU 164 CO 0.07 1.25 -0.90 -0.33 0.09 0.00 0.00 178.44 178.62 1uls h GLU 165 N 0.72 0.00 0.00 1.13 5.08 -1.10 -3.33 114.58 117.07 1uls h GLU 165 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1uls h GLU 165 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1uls h GLU 165 CO 0.10 0.90 -1.00 1.28 -1.00 0.00 0.00 179.01 179.28 1uls n LEU 166 N -3.47 0.81 -0.23 1.33 4.77 -0.28 -4.60 117.00 115.33 1uls n LEU 166 Ca -0.00 -0.34 -0.03 0.00 -0.03 0.00 0.00 56.01 55.61 1uls n LEU 166 Cb 0.85 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.92 1uls n LEU 166 CO 0.46 0.19 0.64 1.23 -1.33 0.00 0.00 177.39 178.58 1uls h GLY 167 N 4.88 0.04 2.00 -0.72 0.00 -1.42 0.12 103.07 107.96 1uls h GLY 167 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1uls h GLY 167 CO 0.00 -0.22 0.00 -0.96 0.00 0.00 0.00 176.54 175.36 1uls n ARG 168 N -5.45 0.10 -0.55 4.80 1.85 -1.26 -1.81 116.66 114.34 1uls n ARG 168 Ca 0.06 0.44 0.07 0.00 -1.00 0.00 0.00 57.85 57.42 1uls n ARG 168 Cb 0.36 -1.74 0.30 0.00 -1.05 0.00 0.00 32.46 30.34 1uls n ARG 168 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 1uls n TRP 169 N -1.94 1.31 -1.29 2.89 7.02 0.39 -4.90 117.44 120.92 1uls n TRP 169 Ca 0.01 -0.51 -0.10 0.00 -1.02 0.00 0.00 57.50 55.89 1uls n TRP 169 Cb 0.14 -0.25 -0.04 0.00 -2.42 0.00 0.00 31.31 28.74 1uls n TRP 169 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1uls n GLY 170 N 0.92 1.09 3.42 6.99 0.00 -0.75 -4.35 105.19 112.51 1uls n GLY 170 Ca 0.22 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1uls n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uls s ILE 171 N -2.20 4.04 0.01 -0.61 1.01 -1.13 -1.68 121.20 120.64 1uls s ILE 171 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 1uls s ILE 171 Cb 0.00 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1uls s ILE 171 CO 0.00 0.38 0.26 -0.13 0.00 0.00 0.00 174.94 175.45 1uls s ARG 172 N 1.45 3.57 -0.08 2.79 0.52 0.28 -3.76 118.95 123.72 1uls s ARG 172 Ca 0.05 -0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.18 1uls s ARG 172 Cb -0.15 -3.08 0.02 0.00 0.52 0.00 0.00 34.95 32.27 1uls s ARG 172 CO 0.02 0.65 -0.07 0.08 0.02 0.00 0.00 175.30 176.00 1uls s VAL 173 N -1.31 0.83 0.09 3.52 1.01 -1.26 -0.03 120.40 123.26 1uls s VAL 173 Ca 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 1uls s VAL 173 Cb -0.13 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1uls s VAL 173 CO 0.16 0.31 -0.01 0.20 0.00 0.00 0.00 175.10 175.77 1uls s ASN 174 N 1.33 0.58 -0.03 3.32 0.01 -0.55 0.51 114.94 120.12 1uls s ASN 174 Ca -0.03 -1.08 0.07 0.00 -0.71 0.00 0.00 52.86 51.11 1uls s ASN 174 Cb -0.14 0.21 -0.02 0.00 0.41 0.00 0.00 41.25 41.71 1uls s ASN 174 CO -0.03 -0.62 -0.24 -0.89 -1.51 0.00 0.00 177.10 173.81 1uls s THR 175 N -3.90 1.93 -0.10 1.60 2.01 0.76 -0.90 115.64 117.04 1uls s THR 175 Ca 0.14 -1.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 1uls s THR 175 Cb 0.07 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 1uls s THR 175 CO -0.05 0.54 0.18 -0.76 -0.69 0.00 0.00 174.62 173.85 1uls s LEU 176 N -0.46 4.40 -0.58 4.42 1.43 0.26 -0.81 118.68 127.35 1uls s LEU 176 Ca 0.06 0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.76 1uls s LEU 176 Cb -0.10 -2.16 0.19 0.00 0.03 0.00 0.00 46.19 44.14 1uls s LEU 176 CO 0.00 0.39 0.49 0.00 0.23 0.00 0.00 176.35 177.46 1uls n ALA 177 N 1.93 3.26 -1.48 4.21 0.00 -0.00 0.46 120.51 128.89 1uls n ALA 177 Ca -0.19 -4.04 -0.33 0.00 0.00 0.00 0.00 53.44 48.88 1uls n ALA 177 Cb 0.55 -0.91 0.06 0.00 0.00 0.00 0.00 19.45 19.14 1uls n ALA 177 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1uls s PRO 178 N -1.13 2.64 0.00 0.00 0.04 -1.26 -1.58 135.00 133.71 1uls s PRO 178 Ca 0.30 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1uls s PRO 178 Cb 0.03 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1uls s PRO 178 CO -0.15 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 175.90 1uls n GLY 179 N -0.22 0.52 3.52 0.56 0.00 0.21 -2.53 105.19 107.25 1uls n GLY 179 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1uls n GLY 179 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uls s PHE 180 N 3.93 2.56 -0.17 1.61 5.36 -1.26 -4.95 117.98 125.06 1uls s PHE 180 Ca 0.00 -0.11 -0.05 0.00 -0.96 0.00 0.00 56.93 55.81 1uls s PHE 180 Cb 0.00 -4.38 -0.03 0.00 -0.34 0.00 0.00 43.02 38.26 1uls s PHE 180 CO 0.00 -1.71 -0.00 0.42 -1.46 0.00 0.00 175.22 172.47 1uls s ILE 181 N 4.72 4.21 -0.61 3.12 -1.09 -1.26 0.41 121.20 130.69 1uls s ILE 181 Ca 0.31 -0.24 -0.27 0.00 -2.23 0.00 0.00 60.65 58.22 1uls s ILE 181 Cb -0.12 -2.86 -0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1uls s ILE 181 CO 0.16 0.48 1.63 -0.70 -1.23 0.00 0.00 174.94 175.28 1uls s GLU 182 N 0.38 2.95 0.00 2.79 2.56 0.17 -4.84 118.70 122.70 1uls s GLU 182 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 54.97 55.40 1uls s GLU 182 Cb -0.14 -4.27 0.00 0.00 2.00 0.00 0.00 34.13 31.73 1uls s GLU 182 CO 0.02 -2.37 0.00 0.25 -0.56 0.00 0.00 175.26 172.60 1uls n THR 183 N 6.96 0.00 -2.64 -1.70 -2.24 -1.26 -4.30 114.28 109.10 1uls n THR 183 Ca 0.15 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.84 1uls n THR 183 Cb 0.50 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1uls n THR 183 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1uls n ARG 184 N 0.00 1.94 0.00 -0.78 1.74 -1.26 -4.27 116.66 114.03 1uls n ARG 184 Ca 0.00 -3.61 0.00 0.00 -0.77 0.00 0.00 57.85 53.47 1uls n ARG 184 Cb 0.00 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 1uls n ARG 184 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1uls n THR 186 N -0.42 0.00 -0.31 0.55 -2.24 -1.26 -4.41 114.28 106.18 1uls n THR 186 Ca 0.16 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.10 1uls n THR 186 Cb 0.82 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 69.39 1uls n THR 186 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uls h ALA 187 N 0.00 1.47 -0.97 6.98 0.00 -1.94 -1.73 119.26 123.07 1uls h ALA 187 Ca 0.00 0.23 -0.57 0.00 0.00 0.00 0.00 54.91 54.57 1uls h ALA 187 Cb 0.00 0.31 -0.42 0.00 0.00 0.00 0.00 17.79 17.68 1uls h ALA 187 CO 0.00 -0.53 -0.67 1.63 0.00 0.00 0.00 179.25 179.68 1uls n LYS 188 N -5.21 3.51 -2.52 0.00 5.02 -1.26 -5.03 118.16 112.66 1uls n LYS 188 Ca 0.25 -4.20 -0.38 0.00 -2.02 0.00 0.00 58.31 51.95 1uls n LYS 188 Cb 0.79 -2.27 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 1uls n LYS 188 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1uls s VAL 189 N -4.86 3.63 -0.00 -0.18 0.11 -0.65 -4.90 120.40 113.54 1uls s VAL 189 Ca 0.51 1.43 -0.36 0.00 -2.93 0.00 0.00 61.98 60.63 1uls s VAL 189 Cb 0.41 -3.83 -0.14 0.00 -1.53 0.00 0.00 36.38 31.29 1uls s VAL 189 CO -0.03 0.18 1.65 -0.81 -3.33 0.00 0.00 175.10 172.76 1uls n PRO 190 N 0.54 1.79 -0.61 1.54 -0.04 -1.26 -4.69 135.00 132.27 1uls n PRO 190 Ca 0.02 0.65 0.47 0.00 -0.04 0.00 0.00 63.50 64.60 1uls n PRO 190 Cb 0.47 -2.40 0.73 0.00 -0.04 0.00 0.00 33.50 32.26 1uls n PRO 190 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1uls n GLU 191 N 4.55 -0.01 0.21 0.54 4.07 -1.26 0.12 120.64 128.86 1uls n GLU 191 Ca 0.21 1.05 0.09 0.00 -0.06 0.00 0.00 57.16 58.45 1uls n GLU 191 Cb 0.24 -2.33 0.34 0.00 -0.06 0.00 0.00 31.44 29.64 1uls n GLU 191 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1uls h LYS 192 N 0.00 0.00 0.04 5.31 1.57 -1.99 -1.40 116.57 120.11 1uls h LYS 192 Ca 0.87 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.64 1uls h LYS 192 Cb 3.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.62 1uls h LYS 192 CO -0.12 0.23 -0.02 0.28 -0.57 0.00 0.00 179.45 179.25 1uls h VAL 193 N 0.00 1.23 -0.75 0.50 2.07 0.60 -1.63 116.25 118.27 1uls h VAL 193 Ca -0.00 -1.66 0.11 0.00 0.82 0.00 0.00 66.70 65.97 1uls h VAL 193 Cb 0.90 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 32.84 1uls h VAL 193 CO 0.03 0.37 0.50 -0.09 0.02 0.00 0.00 177.57 178.40 1uls h ARG 194 N -0.89 0.57 -0.17 1.57 2.43 -1.49 -0.81 114.38 115.59 1uls h ARG 194 Ca -0.01 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 58.91 1uls h ARG 194 Cb 0.66 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1uls h ARG 194 CO 0.01 0.38 -0.74 1.49 -1.51 0.00 0.00 179.97 179.59 1uls h GLU 195 N 0.59 0.78 0.36 0.20 4.81 -1.29 -2.94 114.58 117.09 1uls h GLU 195 Ca 0.36 -0.61 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1uls h GLU 195 Cb 0.58 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1uls h GLU 195 CO -0.13 1.22 -0.28 -0.22 -0.73 0.00 0.00 179.01 178.87 1uls h LYS 196 N 0.54 -0.62 -1.00 1.92 1.63 -0.15 -2.49 116.57 116.41 1uls h LYS 196 Ca -0.04 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1uls h LYS 196 Cb 1.36 0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 33.07 1uls h LYS 196 CO 0.15 -0.41 0.65 0.00 -3.45 0.00 0.00 179.45 176.39 1uls h ALA 197 N -0.09 1.35 -0.23 5.00 0.00 -1.45 -2.58 119.26 121.26 1uls h ALA 197 Ca -0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1uls h ALA 197 Cb 0.56 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1uls h ALA 197 CO -0.01 0.50 -0.38 0.82 0.00 0.00 0.00 179.25 180.18 1uls h ILE 198 N 1.22 1.30 0.00 0.00 2.04 -1.44 -2.72 117.51 117.90 1uls h ILE 198 Ca 0.41 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.71 1uls h ILE 198 Cb 0.07 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1uls h ILE 198 CO -0.15 0.48 -0.21 0.00 0.00 0.00 0.00 178.15 178.27 1uls h ALA 199 N 1.15 1.20 -0.12 1.87 0.00 -1.05 -1.82 119.26 120.49 1uls h ALA 199 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1uls h ALA 199 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1uls h ALA 199 CO 0.07 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1uls n ALA 200 N -2.29 2.51 -3.17 0.00 0.00 -1.05 -4.81 120.51 111.69 1uls n ALA 200 Ca -0.01 -0.59 -0.37 0.00 0.00 0.00 0.00 53.44 52.46 1uls n ALA 200 Cb 0.34 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.63 1uls n ALA 200 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1uls s THR 201 N -1.86 3.96 0.32 0.00 2.01 -0.68 -4.39 115.64 114.99 1uls s THR 201 Ca 0.34 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.68 1uls s THR 201 Cb 0.20 -3.07 0.31 0.00 0.01 0.00 0.00 72.50 69.95 1uls s THR 201 CO 0.30 0.05 1.79 -0.65 -0.69 0.00 0.00 174.62 175.41 1uls h PRO 202 N 8.24 0.71 0.00 4.92 0.11 -1.77 0.28 132.00 144.50 1uls h PRO 202 Ca -0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1uls h PRO 202 Cb 1.12 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1uls h PRO 202 CO 0.60 0.47 0.00 1.28 -0.21 0.00 0.00 178.00 180.14 1uls n LEU 203 N -4.73 0.00 -3.16 2.35 4.77 -1.08 -4.91 117.00 110.24 1uls n LEU 203 Ca 0.23 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.00 1uls n LEU 203 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1uls n LEU 203 CO 0.22 0.00 -0.05 0.61 -1.33 0.00 0.00 177.39 176.84 1uls n GLY 204 N 0.53 -0.49 3.85 -0.72 0.00 1.00 -4.95 105.19 104.41 1uls n GLY 204 Ca 0.15 0.08 -0.07 0.00 0.00 0.00 0.00 46.02 46.18 1uls n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1uls s ARG 205 N -5.80 1.76 0.45 1.61 1.70 -1.26 -5.01 118.95 112.40 1uls s ARG 205 Ca 0.32 -0.97 -0.12 0.00 -0.47 0.00 0.00 55.73 54.48 1uls s ARG 205 Cb -0.16 0.60 -0.07 0.00 -0.57 0.00 0.00 34.95 34.75 1uls s ARG 205 CO 0.39 -0.80 0.85 0.00 -1.08 0.00 0.00 175.30 174.66 1uls s ALA 206 N -3.84 3.25 0.59 7.88 0.00 -1.26 -4.91 121.76 123.47 1uls s ALA 206 Ca 0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 1uls s ALA 206 Cb -0.06 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.23 1uls s ALA 206 CO 0.07 -0.13 0.90 0.20 0.00 0.00 0.00 175.76 176.79 1uls s GLY 207 N -3.23 1.61 0.05 0.00 0.00 0.16 -4.83 107.32 101.09 1uls s GLY 207 Ca 0.54 -0.72 0.06 0.00 0.00 0.00 0.00 44.72 44.59 1uls s GLY 207 CO 0.33 -0.44 -0.10 0.54 0.00 0.00 0.00 173.10 173.43 1uls s LYS 208 N -4.99 2.29 0.24 2.90 1.02 -1.26 0.41 119.74 120.35 1uls s LYS 208 Ca 0.54 -0.90 -0.05 0.00 0.02 0.00 0.00 55.97 55.59 1uls s LYS 208 Cb -0.11 -2.36 0.44 0.00 -0.52 0.00 0.00 37.83 35.29 1uls s LYS 208 CO 0.45 0.55 1.72 -1.00 -0.92 0.00 0.00 175.35 176.15 1uls h PRO 209 N 4.15 0.38 -0.96 -1.68 0.13 -1.92 0.61 132.00 132.71 1uls h PRO 209 Ca -0.48 -0.02 0.21 0.00 -0.87 0.00 0.00 66.00 64.84 1uls h PRO 209 Cb 1.16 -0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.13 1uls h PRO 209 CO 0.52 0.25 0.62 1.25 -0.23 0.00 0.00 178.00 180.41 1uls h LEU 210 N 0.39 0.50 -1.07 1.56 6.46 -1.90 0.12 115.31 121.37 1uls h LEU 210 Ca 0.40 0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 58.14 1uls h LEU 210 Cb 0.62 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1uls h LEU 210 CO -0.42 0.18 -0.23 -0.33 -0.62 0.00 0.00 178.44 177.02 1uls h GLU 211 N 0.49 0.38 -0.01 1.25 5.08 -1.28 -1.25 114.58 119.23 1uls h GLU 211 Ca 0.52 -0.13 -0.17 0.00 -1.00 0.00 0.00 59.36 58.58 1uls h GLU 211 Cb 1.18 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1uls h GLU 211 CO -0.24 0.59 -0.78 0.28 -1.00 0.00 0.00 179.01 177.86 1uls h VAL 212 N 0.34 1.49 -0.68 3.13 2.07 -0.97 -3.13 116.25 118.50 1uls h VAL 212 Ca 0.05 -2.47 -0.04 0.00 0.82 0.00 0.00 66.70 65.06 1uls h VAL 212 Cb 0.60 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1uls h VAL 212 CO 0.04 0.72 0.26 0.00 0.02 0.00 0.00 177.57 178.60 1uls h ALA 213 N 1.12 0.88 -0.54 1.67 0.00 -0.33 -2.04 119.26 120.02 1uls h ALA 213 Ca -0.02 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1uls h ALA 213 Cb 1.36 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1uls h ALA 213 CO 0.11 0.52 0.07 1.88 0.00 0.00 0.00 179.25 181.83 1uls h TYR 214 N 0.97 0.93 -0.57 0.00 -1.99 -1.23 0.94 116.97 116.02 1uls h TYR 214 Ca 0.22 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 1uls h TYR 214 Cb 0.23 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 38.68 1uls h TYR 214 CO 0.02 0.81 0.13 0.00 -0.00 0.00 0.00 178.16 179.12 1uls h ALA 215 N 1.24 1.17 -0.46 3.88 0.00 -1.45 0.69 119.26 124.33 1uls h ALA 215 Ca 0.17 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1uls h ALA 215 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1uls h ALA 215 CO 0.01 0.56 -0.09 0.00 0.00 0.00 0.00 179.25 179.73 1uls h ALA 216 N 1.30 0.63 -0.16 0.00 0.00 -0.64 -2.08 119.26 118.31 1uls h ALA 216 Ca 0.18 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1uls h ALA 216 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1uls h ALA 216 CO -0.00 0.50 0.04 1.25 0.00 0.00 0.00 179.25 181.05 1uls h LEU 217 N 0.71 0.04 0.08 0.00 6.46 -0.02 -1.14 115.31 121.43 1uls h LEU 217 Ca 0.12 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1uls h LEU 217 Cb 0.63 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.53 1uls h LEU 217 CO 0.04 0.05 -0.36 0.15 -0.62 0.00 0.00 178.44 177.70 1uls h PHE 218 N 0.12 -0.98 -0.48 1.25 3.57 -0.74 0.45 116.94 120.12 1uls h PHE 218 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1uls h PHE 218 Cb 0.05 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1uls h PHE 218 CO -0.12 -0.46 0.30 -0.07 -2.23 0.00 0.00 178.31 175.73 1uls h LEU 219 N -0.56 0.56 0.04 0.59 3.38 -1.21 -3.06 115.31 115.05 1uls h LEU 219 Ca 0.04 -0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.72 1uls h LEU 219 Cb 0.61 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1uls h LEU 219 CO -0.24 0.42 -1.38 0.25 0.09 0.00 0.00 178.44 177.59 1uls h LEU 220 N 0.66 0.14-10.39 1.67 6.46 -0.94 -3.45 115.31 109.46 1uls h LEU 220 Ca 0.17 -0.19 -0.46 0.00 -0.12 0.00 0.00 57.88 57.28 1uls h LEU 220 Cb -0.04 -0.05 0.15 0.00 -0.73 0.00 0.00 40.66 39.99 1uls h LEU 220 CO -0.03 1.16 0.23 -0.94 -0.62 0.00 0.00 178.44 178.24 1uls s SER 221 N -6.64 3.07 0.00 1.25 1.04 0.13 -4.74 113.70 107.81 1uls s SER 221 Ca -0.04 1.20 0.13 0.00 0.48 0.00 0.00 55.95 57.72 1uls s SER 221 Cb 0.08 -1.85 0.65 0.00 0.10 0.00 0.00 66.02 65.00 1uls s SER 221 CO 0.83 -2.85 1.32 0.47 0.98 0.00 0.00 173.24 173.99 1uls n ASP 222 N -3.99 0.00 0.15 7.02 8.00 -1.26 -2.93 116.55 123.53 1uls n ASP 222 Ca 0.06 0.09 0.13 0.00 0.71 0.00 0.00 54.79 55.77 1uls n ASP 222 Cb 0.57 -0.28 0.49 0.00 -0.02 0.00 0.00 41.12 41.88 1uls n ASP 222 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1uls h GLU 223 N 0.00 0.00 -0.08 -1.24 5.08 -1.91 -2.84 114.58 113.60 1uls h GLU 223 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1uls h GLU 223 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1uls h GLU 223 CO 0.00 0.00 -0.26 -1.13 -1.00 0.00 0.00 179.01 176.62 1uls n SER 224 N -2.39 2.15 0.06 1.42 3.41 -1.15 -4.81 113.62 112.31 1uls n SER 224 Ca 0.03 -3.62 0.21 0.00 -0.26 0.00 0.00 58.87 55.23 1uls n SER 224 Cb 0.30 -0.52 0.68 0.00 -0.26 0.00 0.00 64.21 64.41 1uls n SER 224 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1uls h SER 225 N 0.80 0.00 -0.38 4.04 4.64 -1.68 0.68 113.55 121.65 1uls h SER 225 Ca 0.04 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 1uls h SER 225 Cb 1.15 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.18 1uls h SER 225 CO 0.09 0.00 0.04 0.33 -0.87 0.00 0.00 176.83 176.41 1uls n PHE 226 N -3.52 1.27 -4.53 4.77 7.35 -1.26 -4.93 117.46 116.61 1uls n PHE 226 Ca 0.09 -1.13 -0.32 0.00 -0.76 0.00 0.00 57.45 55.33 1uls n PHE 226 Cb 0.78 -0.43 -0.16 0.00 0.35 0.00 0.00 39.48 40.01 1uls n PHE 226 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1uls s ILE 227 N -2.98 1.94 0.04 -2.13 1.01 0.23 -5.11 121.20 114.20 1uls s ILE 227 Ca 0.45 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 1uls s ILE 227 Cb 0.38 -1.73 0.04 0.00 0.01 0.00 0.00 42.46 41.16 1uls s ILE 227 CO 0.07 0.53 0.46 0.28 0.00 0.00 0.00 174.94 176.28 1uls s THR 228 N 0.94 0.04 -1.06 2.92 -1.32 -1.26 -4.77 115.64 111.14 1uls s THR 228 Ca -0.05 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 1uls s THR 228 Cb -0.15 -0.95 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1uls s THR 228 CO -0.04 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 1uls n GLY 229 N 0.51 0.45 3.76 6.08 0.00 0.18 -4.96 105.19 111.21 1uls n GLY 229 Ca -0.19 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 1uls n GLY 229 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uls s GLN 230 N -3.91 2.77 -0.33 1.61 -1.52 -1.26 -4.80 119.66 112.23 1uls s GLN 230 Ca 0.00 -0.89 -0.05 0.00 -1.95 0.00 0.00 55.36 52.47 1uls s GLN 230 Cb 0.00 -2.59 0.04 0.00 -0.22 0.00 0.00 33.01 30.24 1uls s GLN 230 CO 0.00 0.49 0.07 0.08 -0.25 0.00 0.00 175.29 175.69 1uls s VAL 231 N -1.67 3.52 -0.39 1.09 1.01 -1.26 -0.17 120.40 122.53 1uls s VAL 231 Ca 0.30 -1.23 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 1uls s VAL 231 Cb -0.10 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.29 1uls s VAL 231 CO 0.22 -0.17 0.24 -0.22 0.00 0.00 0.00 175.10 175.17 1uls s LEU 232 N 1.35 4.87 0.08 3.92 2.96 0.01 -4.96 118.68 126.91 1uls s LEU 232 Ca -0.03 -1.00 -0.30 0.00 -0.22 0.00 0.00 54.13 52.58 1uls s LEU 232 Cb -0.20 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 1uls s LEU 232 CO 0.01 -0.42 1.02 -0.36 -1.32 0.00 0.00 176.35 175.29 1uls s PHE 233 N 1.58 3.68 -0.54 5.38 0.40 -1.26 -0.82 117.98 126.40 1uls s PHE 233 Ca 0.03 1.67 0.07 0.00 -0.60 0.00 0.00 56.93 58.09 1uls s PHE 233 Cb -0.19 -3.16 0.27 0.00 0.51 0.00 0.00 43.02 40.45 1uls s PHE 233 CO 0.07 -0.19 0.72 0.28 0.70 0.00 0.00 175.22 176.80 1uls n VAL 234 N 3.24 1.43 -1.63 -0.44 0.31 -0.62 -4.85 118.33 115.78 1uls n VAL 234 Ca 0.04 -4.90 0.05 0.00 -0.01 0.00 0.00 64.34 59.52 1uls n VAL 234 Cb 0.49 -1.79 0.07 0.00 -0.91 0.00 0.00 33.84 31.69 1uls n VAL 234 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1uls n ASP 235 N 0.78 1.11 -1.94 4.52 3.85 -1.26 -0.62 116.55 122.99 1uls n ASP 235 Ca 0.27 -2.54 -0.20 0.00 -0.71 0.00 0.00 54.79 51.61 1uls n ASP 235 Cb 0.46 -0.32 -0.05 0.00 -1.35 0.00 0.00 41.12 39.87 1uls n ASP 235 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1uls n GLY 236 N -0.62 0.73 1.72 6.12 0.00 -1.26 -1.93 105.19 109.95 1uls n GLY 236 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1uls n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uls n GLY 237 N -0.75 0.54 0.29 -0.02 0.00 -1.26 -2.64 105.19 101.36 1uls n GLY 237 Ca -0.22 -0.26 0.19 0.00 0.00 0.00 0.00 46.02 45.73 1uls n GLY 237 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1uls h ARG 238 N 1.03 0.00 -0.01 1.61 1.12 -1.59 -2.38 114.38 114.16 1uls h ARG 238 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1uls h ARG 238 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1uls h ARG 238 CO 0.00 0.00 -0.61 -2.37 -3.11 0.00 0.00 179.97 173.88 1uls n THR 239 N -2.98 0.00 -1.75 0.20 5.66 -1.26 -4.90 114.28 109.26 1uls n THR 239 Ca -0.01 -0.16 -0.42 0.00 -3.05 0.00 0.00 64.05 60.41 1uls n THR 239 Cb 0.16 1.03 -0.03 0.00 -1.55 0.00 0.00 70.33 69.95 1uls n THR 239 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1uls s ILE 240 N -2.66 2.99 0.00 1.09 1.01 -0.90 -1.76 121.20 120.97 1uls s ILE 240 Ca 0.16 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1uls s ILE 240 Cb 0.18 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.54 1uls s ILE 240 CO 0.66 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.20 1uls n GLY 241 N 4.38 2.49 3.78 6.18 0.00 -1.26 -5.09 105.19 115.67 1uls n GLY 241 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1uls n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uls s ALA 242 N -2.23 3.50 0.09 4.61 0.00 -0.72 -5.01 121.76 122.01 1uls s ALA 242 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 1uls s ALA 242 Cb 0.00 -2.78 -0.11 0.00 0.00 0.00 0.00 23.12 20.23 1uls s ALA 242 CO 0.00 0.28 1.86 0.00 0.00 0.00 0.00 175.76 177.89 1uls n ALA 243 N 2.08 1.93 -0.68 0.00 0.00 -1.26 -4.93 120.51 117.64 1uls n ALA 243 Ca -0.07 0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.35 1uls n ALA 243 Cb 0.50 -2.59 0.17 0.00 0.00 0.00 0.00 19.45 17.53 1uls n ALA 243 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1uls n PRO 244 N 6.00 -0.85 0.00 0.00 -0.04 -1.26 -5.07 135.00 133.78 1uls n PRO 244 Ca 0.19 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1uls n PRO 244 Cb 0.37 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1uls n PRO 244 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46