#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 2.56 -4.66 0.55 4.77 -0.63 -4.59 117.00 115.00 1uls n LEU 3 Ca 0.00 -3.45 -0.52 0.00 -0.03 0.00 0.00 56.01 52.01 1uls n LEU 3 Cb 0.00 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 1uls n LEU 3 CO 0.00 1.26 1.49 1.17 -1.33 0.00 0.00 177.39 179.98 1uls n LYS 4 N -0.52 1.65 -0.88 3.23 4.81 -1.11 -1.19 118.16 124.15 1uls n LYS 4 Ca 0.19 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1uls n LYS 4 Cb 0.89 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.50 1uls n LYS 4 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1uls n ASP 5 N 6.81 -4.27 -4.73 3.14 8.00 -0.14 -4.95 116.55 120.40 1uls n ASP 5 Ca 0.27 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.36 1uls n ASP 5 Cb 0.23 -3.02 -0.03 0.00 -0.02 0.00 0.00 41.12 38.28 1uls n ASP 5 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1uls s LYS 6 N -1.60 4.44 -0.32 -1.24 -0.14 -0.33 -4.69 119.74 115.85 1uls s LYS 6 Ca 0.00 1.94 -0.18 0.00 -1.36 0.00 0.00 55.97 56.36 1uls s LYS 6 Cb 0.00 -3.24 -0.01 0.00 -1.68 0.00 0.00 37.83 32.90 1uls s LYS 6 CO 0.00 -0.18 0.53 0.00 -0.76 0.00 0.00 175.35 174.94 1uls s ALA 7 N 0.19 3.52 -0.01 5.17 0.00 -1.26 -0.93 121.76 128.44 1uls s ALA 7 Ca 0.55 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.72 1uls s ALA 7 Cb -0.34 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1uls s ALA 7 CO 0.36 -1.05 -0.14 0.08 0.00 0.00 0.00 175.76 175.01 1uls s VAL 8 N 2.40 1.08 -0.10 0.00 1.01 -0.74 -0.17 120.40 123.89 1uls s VAL 8 Ca 0.20 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1uls s VAL 8 Cb -0.15 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1uls s VAL 8 CO 0.12 0.27 -0.15 -0.22 0.00 0.00 0.00 175.10 175.12 1uls s LEU 9 N -0.41 2.63 -0.08 3.92 0.20 -0.93 -1.85 118.68 122.17 1uls s LEU 9 Ca 0.05 -0.32 0.02 0.00 0.69 0.00 0.00 54.13 54.58 1uls s LEU 9 Cb -0.06 -1.56 0.01 0.00 -0.43 0.00 0.00 46.19 44.15 1uls s LEU 9 CO -0.00 0.23 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.50 1uls s ILE 10 N -0.02 1.41 0.30 6.68 1.01 -0.69 -1.66 121.20 128.23 1uls s ILE 10 Ca -0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1uls s ILE 10 Cb -0.14 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1uls s ILE 10 CO 0.04 0.42 0.51 0.42 0.00 0.00 0.00 174.94 176.33 1uls s THR 11 N 0.70 5.12 -1.72 2.92 -4.23 -0.70 -0.38 115.64 117.35 1uls s THR 11 Ca -0.13 -0.36 -0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1uls s THR 11 Cb -0.16 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1uls s THR 11 CO 0.03 -0.42 0.01 0.61 -0.54 0.00 0.00 174.62 174.31 1uls n GLY 12 N -1.36 -0.50 0.00 3.99 0.00 0.47 -3.70 105.19 104.08 1uls n GLY 12 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.06 1.92 0.03 4.61 0.00 -0.45 -3.32 120.51 121.23 1uls n ALA 13 Ca -0.24 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 1uls n ALA 13 Cb 0.68 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 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 2.79 0.53 -1.55 0.00 0.00 -1.87 -3.03 119.26 116.12 1uls h ALA 14 Ca 0.00 -1.17 -0.50 0.00 0.00 0.00 0.00 54.91 53.24 1uls h ALA 14 Cb 0.18 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1uls h ALA 14 CO 0.00 1.39 -0.40 -1.01 0.00 0.00 0.00 179.25 179.23 1uls s HIS 15 N -2.65 2.71 0.00 0.00 3.76 -1.21 -4.68 115.29 113.22 1uls s HIS 15 Ca -0.02 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 1uls s HIS 15 Cb 0.09 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.66 1uls s HIS 15 CO 0.82 -0.06 0.00 0.41 -0.85 0.00 0.00 174.74 175.06 1uls n GLY 16 N -1.50 0.00 0.28 -2.22 0.00 -1.26 0.12 105.19 100.61 1uls n GLY 16 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 0.60 -0.59 -0.61 2.04 -1.90 -0.30 117.51 116.75 1uls h ILE 17 Ca 0.00 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1uls h ILE 17 Cb 0.00 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 1uls h ILE 17 CO 0.00 0.07 0.28 1.23 0.00 0.00 0.00 178.15 179.74 1uls h GLY 18 N 0.40 0.91 1.12 5.37 0.00 -1.40 -1.11 103.07 108.36 1uls h GLY 18 Ca 0.44 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 1uls h GLY 18 CO -0.45 0.43 0.12 -0.09 0.00 0.00 0.00 176.54 176.55 1uls h ARG 19 N 0.80 1.08 -0.06 4.80 9.65 0.73 -1.29 114.38 130.10 1uls h ARG 19 Ca 0.20 -0.28 -0.12 0.00 -1.10 0.00 0.00 59.98 58.68 1uls h ARG 19 Cb 0.12 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1uls h ARG 19 CO -0.03 0.99 -0.50 0.00 2.80 0.00 0.00 179.97 183.23 1uls h ALA 20 N 1.10 1.05 -0.16 2.80 0.00 -0.86 -1.97 119.26 121.21 1uls h ALA 20 Ca 0.20 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 1uls h ALA 20 Cb 0.42 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1uls h ALA 20 CO 0.01 0.65 -0.61 1.15 0.00 0.00 0.00 179.25 180.45 1uls h THR 21 N 0.12 1.33 -0.49 0.00 2.02 -0.91 -1.78 112.91 113.20 1uls h THR 21 Ca 0.00 -1.89 -0.02 0.00 0.77 0.00 0.00 66.41 65.28 1uls h THR 21 Cb 0.93 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 1uls h THR 21 CO 0.07 0.58 0.24 0.25 0.37 0.00 0.00 175.52 177.04 1uls h LEU 22 N 0.41 0.64 -0.24 2.58 6.46 -0.91 -0.22 115.31 124.03 1uls h LEU 22 Ca -0.01 -0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.60 1uls h LEU 22 Cb 1.17 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 1uls h LEU 22 CO 0.11 0.59 0.03 -0.33 -0.62 0.00 0.00 178.44 178.22 1uls h GLU 23 N 0.65 0.41 -0.27 1.25 5.08 -1.27 -1.81 114.58 118.63 1uls h GLU 23 Ca 0.17 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1uls h GLU 23 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1uls h GLU 23 CO -0.02 0.56 0.11 1.25 -1.00 0.00 0.00 179.01 179.90 1uls h LEU 24 N 0.21 0.36 -0.95 1.33 6.46 -1.19 -2.00 115.31 119.53 1uls h LEU 24 Ca 0.07 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1uls h LEU 24 Cb 0.35 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.14 1uls h LEU 24 CO 0.01 0.42 0.58 -0.26 -0.62 0.00 0.00 178.44 178.57 1uls h PHE 25 N 0.28 1.24 -0.25 1.25 -1.00 -1.04 -1.39 116.94 116.03 1uls h PHE 25 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1uls h PHE 25 Cb 0.17 -0.41 -0.01 0.00 3.61 0.00 0.00 35.95 39.31 1uls h PHE 25 CO -0.01 0.82 0.16 0.00 -1.61 0.00 0.00 178.31 177.67 1uls h ALA 26 N 1.32 0.31 -0.13 2.45 0.00 -1.06 -1.26 119.26 120.89 1uls h ALA 26 Ca 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1uls h ALA 26 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1uls h ALA 26 CO -0.07 -0.21 0.06 0.87 0.00 0.00 0.00 179.25 179.90 1uls h LYS 27 N 0.33 0.18 -0.05 0.00 1.57 -0.93 -0.65 116.57 117.04 1uls h LYS 27 Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1uls h LYS 27 Cb -0.04 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1uls h LYS 27 CO -0.02 0.15 0.00 0.39 -0.57 0.00 0.00 179.45 179.40 1uls n GLU 28 N -4.48 1.14 -1.90 3.15 -0.58 -0.52 -4.92 120.64 112.53 1uls n GLU 28 Ca -0.01 -0.21 -0.02 0.00 -0.42 0.00 0.00 57.16 56.50 1uls n GLU 28 Cb 0.11 -1.19 -0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 0.74 0.32 3.88 0.62 0.00 -0.25 -1.60 105.19 108.90 1uls n GLY 29 Ca 0.09 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.09 3.59 -0.45 4.61 0.00 -1.03 -0.96 121.76 125.42 1uls s ALA 30 Ca 0.00 -0.37 -0.21 0.00 0.00 0.00 0.00 51.96 51.38 1uls s ALA 30 Cb 0.00 -2.39 0.03 0.00 0.00 0.00 0.00 23.12 20.76 1uls s ALA 30 CO 0.00 0.42 0.66 1.03 0.00 0.00 0.00 175.76 177.87 1uls s ARG 31 N -3.07 3.27 0.10 0.00 0.52 -0.11 -4.72 118.95 114.95 1uls s ARG 31 Ca 0.46 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 55.30 1uls s ARG 31 Cb -0.11 -3.96 -0.04 0.00 0.52 0.00 0.00 34.95 31.36 1uls s ARG 31 CO 0.24 -1.05 0.14 -0.51 0.02 0.00 0.00 175.30 174.14 1uls s LEU 32 N 2.87 3.97 -0.18 2.53 1.43 -1.26 -1.80 118.68 126.24 1uls s LEU 32 Ca 0.23 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1uls s LEU 32 Cb -0.14 -2.61 0.04 0.00 0.03 0.00 0.00 46.19 43.51 1uls s LEU 32 CO 0.19 0.14 -0.07 -0.69 0.23 0.00 0.00 176.35 176.15 1uls s VAL 33 N -1.51 1.36 -0.21 -1.59 1.01 -0.77 -1.21 120.40 117.48 1uls s VAL 33 Ca 0.31 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1uls s VAL 33 Cb -0.12 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1uls s VAL 33 CO 0.24 0.13 0.20 0.00 0.00 0.00 0.00 175.10 175.67 1uls s ALA 34 N 1.52 3.63 0.01 5.51 0.00 0.01 -1.71 121.76 130.72 1uls s ALA 34 Ca -0.01 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1uls s ALA 34 Cb -0.16 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1uls s ALA 34 CO -0.08 -0.04 -0.26 0.00 0.00 0.00 0.00 175.76 175.38 1uls s ASP 36 N -0.86 -0.18 0.14 0.00 -1.08 -1.24 -0.40 116.67 113.06 1uls s ASP 36 Ca 0.10 -0.30 -0.07 0.00 -0.52 0.00 0.00 52.55 51.77 1uls s ASP 36 Cb -0.10 0.41 -0.04 0.00 -1.46 0.00 0.00 42.92 41.73 1uls s ASP 36 CO 0.00 -0.75 1.38 -0.29 0.52 0.00 0.00 175.17 176.03 1uls h ILE 37 N 2.00 1.33 -3.85 4.11 6.09 -1.95 -3.39 117.51 121.86 1uls h ILE 37 Ca -0.25 -2.05 -0.64 0.00 -1.37 0.00 0.00 64.86 60.55 1uls h ILE 37 Cb 1.23 2.04 -0.17 0.00 0.47 0.00 0.00 36.82 40.39 1uls h ILE 37 CO 0.26 0.63 -0.52 -1.61 -3.07 0.00 0.00 178.15 173.85 1uls s GLU 38 N -3.69 3.96 0.16 2.19 2.02 -1.26 -4.94 118.70 117.13 1uls s GLU 38 Ca -0.08 -0.32 -0.14 0.00 0.02 0.00 0.00 54.97 54.46 1uls s GLU 38 Cb 0.10 -3.63 0.04 0.00 0.10 0.00 0.00 34.13 30.74 1uls s GLU 38 CO 0.87 -0.15 1.71 1.49 0.02 0.00 0.00 175.26 179.20 1uls h GLU 39 N 8.24 0.77 -0.01 1.61 4.81 -1.99 -2.36 114.58 125.66 1uls h GLU 39 Ca -0.36 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1uls h GLU 39 Cb 1.19 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1uls h GLU 39 CO 0.57 0.68 -0.07 0.78 -0.73 0.00 0.00 179.01 180.24 1uls h GLY 40 N 0.69 -1.45 2.00 1.92 0.00 -2.00 0.01 103.07 104.24 1uls h GLY 40 Ca 0.17 0.65 -0.01 0.00 0.00 0.00 0.00 47.33 48.14 1uls h GLY 40 CO -0.01 -0.53 -0.04 -0.56 0.00 0.00 0.00 176.54 175.40 1uls h PRO 41 N -0.08 0.00 0.01 4.80 0.13 -1.99 -2.97 132.00 131.91 1uls h PRO 41 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1uls h PRO 41 Cb 0.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1uls h PRO 41 CO -0.05 0.04 -0.01 1.25 -0.23 0.00 0.00 178.00 179.00 1uls h LEU 42 N 0.00 -0.02 -1.04 1.56 6.46 -0.90 -2.33 115.31 119.04 1uls h LEU 42 Ca -0.00 -0.44 -0.00 0.00 -0.12 0.00 0.00 57.88 57.31 1uls h LEU 42 Cb 0.28 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.17 1uls h LEU 42 CO 0.01 0.44 0.53 0.03 -0.62 0.00 0.00 178.44 178.82 1uls h ARG 43 N -0.47 1.18 0.25 1.25 3.08 -0.86 -0.88 114.38 117.93 1uls h ARG 43 Ca -0.00 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1uls h ARG 43 Cb 0.46 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1uls h ARG 43 CO 0.00 0.83 -0.12 1.49 -1.07 0.00 0.00 179.97 181.10 1uls h GLU 44 N 1.20 -0.32 -0.57 0.04 4.81 -1.51 0.74 114.58 118.97 1uls h GLU 44 Ca 0.31 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1uls h GLU 44 Cb -0.05 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1uls h GLU 44 CO -0.06 -0.21 0.35 0.00 -0.73 0.00 0.00 179.01 178.37 1uls h ALA 45 N 0.41 0.73 -0.06 2.92 0.00 -1.15 -2.07 119.26 120.04 1uls h ALA 45 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1uls h ALA 45 Cb 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1uls h ALA 45 CO 0.06 0.20 0.01 0.00 0.00 0.00 0.00 179.25 179.52 1uls h ALA 46 N 1.18 0.08 -0.72 0.00 0.00 -1.01 -3.16 119.26 115.62 1uls h ALA 46 Ca 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1uls h ALA 46 Cb -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1uls h ALA 46 CO -0.04 -0.30 0.38 0.93 0.00 0.00 0.00 179.25 180.22 1uls h GLU 47 N -0.12 1.01 0.00 0.00 5.08 -0.77 0.61 114.58 120.37 1uls h GLU 47 Ca 0.02 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1uls h GLU 47 Cb 0.24 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1uls h GLU 47 CO 0.00 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 178.76 1uls n ALA 48 N -2.43 1.84 -0.05 3.43 0.00 -0.79 -2.79 120.51 119.71 1uls n ALA 48 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1uls n ALA 48 Cb 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1uls n ALA 48 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1uls n VAL 49 N -1.14 0.00 -0.81 0.00 3.14 -0.72 -5.02 118.33 113.78 1uls n VAL 49 Ca 0.07 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1uls n VAL 49 Cb 0.07 1.05 0.00 0.00 -1.06 0.00 0.00 33.84 33.90 1uls n VAL 49 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1uls n GLY 50 N 0.36 0.70 3.95 7.55 0.00 -0.18 -4.94 105.19 112.63 1uls n GLY 50 Ca 0.00 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 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 3.75 -0.30 4.61 0.00 0.03 -4.75 121.76 123.09 1uls s ALA 51 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 1uls s ALA 51 Cb 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 1uls s ALA 51 CO 0.00 -0.33 0.17 -1.58 0.00 0.00 0.00 175.76 174.03 1uls s HIS 52 N -2.52 3.19 0.16 0.00 2.46 -0.35 -4.31 115.29 113.92 1uls s HIS 52 Ca 0.47 -0.28 -0.30 0.00 0.47 0.00 0.00 55.06 55.42 1uls s HIS 52 Cb -0.10 -2.37 -0.07 0.00 -0.13 0.00 0.00 32.58 29.91 1uls s HIS 52 CO 0.38 -0.34 0.97 -1.25 -2.47 0.00 0.00 174.74 172.03 1uls s PRO 53 N 1.68 4.74 -0.23 2.88 0.04 -1.26 -0.81 135.00 142.04 1uls s PRO 53 Ca 0.06 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.57 1uls s PRO 53 Cb -0.17 -3.33 0.10 0.00 0.04 0.00 0.00 34.50 31.14 1uls s PRO 53 CO 0.08 0.29 0.21 0.08 0.04 0.00 0.00 177.00 177.71 1uls s VAL 54 N -0.43 -0.29 1.05 -0.36 1.01 -0.25 -4.92 120.40 116.22 1uls s VAL 54 Ca 0.45 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 1uls s VAL 54 Cb -0.25 -0.76 0.22 0.00 0.00 0.00 0.00 36.38 35.59 1uls s VAL 54 CO 0.31 -0.32 1.08 -0.69 0.00 0.00 0.00 175.10 175.48 1uls s VAL 55 N 2.29 2.08 -0.34 2.92 1.01 -1.26 -3.71 120.40 123.38 1uls s VAL 55 Ca 0.07 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1uls s VAL 55 Cb -0.15 -2.09 0.17 0.00 0.00 0.00 0.00 36.38 34.31 1uls s VAL 55 CO -0.18 -0.03 0.46 -0.62 0.00 0.00 0.00 175.10 174.73 1uls s ASP 57 N -2.62 0.04 0.29 3.32 -1.08 -1.26 -4.76 116.67 110.60 1uls s ASP 57 Ca 0.67 -0.82 0.15 0.00 -0.52 0.00 0.00 52.55 52.03 1uls s ASP 57 Cb -0.24 1.20 0.80 0.00 -1.46 0.00 0.00 42.92 43.22 1uls s ASP 57 CO 0.62 -0.28 1.37 1.33 0.52 0.00 0.00 175.17 178.73 1uls n VAL 58 N 4.78 0.83 1.12 1.11 0.24 -1.26 0.53 118.33 125.68 1uls n VAL 58 Ca 0.07 0.72 0.13 0.00 -2.04 0.00 0.00 64.34 63.22 1uls n VAL 58 Cb 0.50 -1.72 0.39 0.00 -1.47 0.00 0.00 33.84 31.54 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 -1.62 3.15 -3.48 2.33 0.00 -1.26 -4.31 120.51 115.32 1uls n ALA 59 Ca -0.01 -0.32 -0.36 0.00 0.00 0.00 0.00 53.44 52.76 1uls n ALA 59 Cb 0.21 -1.20 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.80 4.84 0.21 0.00 3.68 0.19 -4.97 116.67 117.81 1uls s ASP 60 Ca 0.17 -0.98 -0.13 0.00 2.13 0.00 0.00 52.55 53.74 1uls s ASP 60 Cb 0.18 -1.76 0.25 0.00 -1.45 0.00 0.00 42.92 40.15 1uls s ASP 60 CO 0.60 -0.21 1.64 -0.65 0.13 0.00 0.00 175.17 176.68 1uls h PRO 61 N 8.10 0.04 -0.46 4.34 0.11 -1.85 0.22 132.00 142.49 1uls h PRO 61 Ca -0.28 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.73 1uls h PRO 61 Cb 1.10 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1uls h PRO 61 CO 0.57 0.02 -0.11 0.00 -0.21 0.00 0.00 178.00 178.27 1uls h ALA 62 N 1.60 0.93 -0.64 -0.75 0.00 -1.94 -0.97 119.26 117.48 1uls h ALA 62 Ca 0.31 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1uls h ALA 62 Cb 0.48 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1uls h ALA 62 CO -0.60 0.62 0.23 1.03 0.00 0.00 0.00 179.25 180.54 1uls h SER 63 N 0.76 0.90 -0.52 0.00 0.87 -1.51 0.30 113.55 114.35 1uls h SER 63 Ca 0.12 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 1uls h SER 63 Cb 0.62 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1uls h SER 63 CO 0.04 0.84 0.02 0.58 -0.53 0.00 0.00 176.83 177.78 1uls h VAL 64 N 0.91 1.26 -0.31 2.23 2.07 -0.78 -1.42 116.25 120.21 1uls h VAL 64 Ca 0.21 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1uls h VAL 64 Cb 0.24 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1uls h VAL 64 CO -0.01 0.38 0.11 -0.08 0.02 0.00 0.00 177.57 177.99 1uls h GLU 65 N 0.78 0.46 -0.29 1.57 4.81 -0.84 -2.08 114.58 118.99 1uls h GLU 65 Ca 0.15 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1uls h GLU 65 Cb 0.50 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1uls h GLU 65 CO 0.02 0.49 0.09 0.00 -0.73 0.00 0.00 179.01 178.89 1uls h ARG 66 N 0.34 0.46 -0.59 1.92 3.08 -0.89 -2.46 114.38 116.24 1uls h ARG 66 Ca 0.10 -0.10 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1uls h ARG 66 Cb 0.21 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 1uls h ARG 66 CO -0.01 0.51 0.26 0.78 -1.07 0.00 0.00 179.97 180.44 1uls h GLY 67 N 0.32 0.83 1.94 0.04 0.00 -1.15 -0.83 103.07 104.23 1uls h GLY 67 Ca 0.10 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1uls h GLY 67 CO -0.00 0.04 -0.45 0.74 0.00 0.00 0.00 176.54 176.87 1uls h PHE 68 N 0.48 0.08 -0.34 5.60 -1.00 -1.31 -0.07 116.94 120.38 1uls h PHE 68 Ca 0.28 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 61.01 1uls h PHE 68 Cb 0.28 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1uls h PHE 68 CO -0.13 0.51 0.10 0.00 -1.61 0.00 0.00 178.31 177.17 1uls h ALA 69 N 1.49 0.44 -0.22 2.45 0.00 -0.85 0.11 119.26 122.69 1uls h ALA 69 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1uls h ALA 69 Cb 0.82 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1uls h ALA 69 CO 0.06 0.09 0.07 0.93 0.00 0.00 0.00 179.25 180.40 1uls h GLU 70 N 0.39 0.35 -0.39 0.00 5.08 -0.91 -0.53 114.58 118.57 1uls h GLU 70 Ca 0.11 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1uls h GLU 70 Cb 0.26 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1uls h GLU 70 CO -0.00 0.44 -0.02 0.00 -1.00 0.00 0.00 179.01 178.43 1uls h ALA 71 N 0.89 0.34 -0.57 3.43 0.00 -0.76 -0.08 119.26 122.51 1uls h ALA 71 Ca 0.07 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1uls h ALA 71 Cb 0.24 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1uls h ALA 71 CO -0.00 -0.41 0.08 -0.07 0.00 0.00 0.00 179.25 178.85 1uls h LEU 72 N 0.08 0.87 -0.84 0.00 -0.00 -0.59 0.53 115.31 115.36 1uls h LEU 72 Ca 0.19 -0.19 -0.06 0.00 -0.00 0.00 0.00 57.88 57.82 1uls h LEU 72 Cb 0.28 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.68 1uls h LEU 72 CO -0.34 0.88 0.20 0.00 -0.00 0.00 0.00 178.44 179.19 1uls h ALA 73 N 1.22 1.06 0.00 1.53 0.00 -0.40 0.98 119.26 123.65 1uls h ALA 73 Ca 0.18 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1uls h ALA 73 Cb 0.40 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1uls h ALA 73 CO 0.01 0.63 -0.53 1.25 0.00 0.00 0.00 179.25 180.61 1uls h HIS 74 N 1.02 0.53 0.11 0.00 -0.00 -0.57 -3.37 115.15 112.86 1uls h HIS 74 Ca 0.22 -0.29 -0.32 0.00 -0.00 0.00 0.00 60.37 59.98 1uls h HIS 74 Cb 0.31 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1uls h HIS 74 CO 0.02 1.11 -1.64 -0.07 -0.00 0.00 0.00 177.93 177.35 1uls h LEU 75 N -0.21 0.38 0.00 0.26 3.38 0.11 -3.48 115.31 115.75 1uls h LEU 75 Ca -0.07 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1uls h LEU 75 Cb 1.26 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1uls h LEU 75 CO 0.10 1.50 0.00 0.61 0.09 0.00 0.00 178.44 180.74 1uls n GLY 76 N 1.72 3.10 3.85 0.83 0.00 0.34 -4.92 105.19 110.12 1uls n GLY 76 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.28 1.84 -0.04 1.61 1.70 -1.26 -5.01 118.95 117.51 1uls s ARG 77 Ca 0.00 -1.04 0.01 0.00 -0.47 0.00 0.00 55.73 54.23 1uls s ARG 77 Cb 0.00 0.61 0.02 0.00 -0.57 0.00 0.00 34.95 35.01 1uls s ARG 77 CO 0.00 -0.84 -0.03 -1.17 -1.08 0.00 0.00 175.30 172.18 1uls s LEU 78 N -2.94 1.27 -0.01 -1.89 0.20 -1.26 -4.81 118.68 109.24 1uls s LEU 78 Ca 0.12 -0.10 0.10 0.00 0.69 0.00 0.00 54.13 54.94 1uls s LEU 78 Cb -0.06 -0.38 -0.15 0.00 -0.43 0.00 0.00 46.19 45.17 1uls s LEU 78 CO 0.07 -0.07 0.24 0.47 -0.29 0.00 0.00 176.35 176.78 1uls n ASP 79 N 4.08 2.46 -3.61 3.68 8.00 0.77 -4.90 116.55 127.02 1uls n ASP 79 Ca -0.25 -0.09 -0.02 0.00 0.71 0.00 0.00 54.79 55.13 1uls n ASP 79 Cb 0.51 1.39 -0.01 0.00 -0.02 0.00 0.00 41.12 42.99 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 -2.98 -0.35 -0.10 0.44 0.00 -1.00 -2.04 107.32 101.29 1uls s GLY 80 Ca -0.03 1.10 -0.08 0.00 0.00 0.00 0.00 44.72 45.71 1uls s GLY 80 CO 0.41 0.32 0.27 0.14 0.00 0.00 0.00 173.10 174.24 1uls s VAL 81 N -2.55 -0.01 -0.23 1.40 1.01 -0.95 -2.18 120.40 116.90 1uls s VAL 81 Ca 0.11 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1uls s VAL 81 Cb 0.01 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 36.05 1uls s VAL 81 CO -0.04 0.01 -0.14 -0.69 0.00 0.00 0.00 175.10 174.24 1uls s VAL 82 N 0.40 2.10 -0.25 2.92 1.01 -0.66 -0.77 120.40 125.15 1uls s VAL 82 Ca -0.02 -1.35 -0.09 0.00 0.00 0.00 0.00 61.98 60.52 1uls s VAL 82 Cb -0.04 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1uls s VAL 82 CO -0.02 0.19 0.13 -2.28 0.00 0.00 0.00 175.10 173.12 1uls s HIS 83 N 1.19 3.19 -0.02 5.22 2.46 0.07 -1.71 115.29 125.69 1uls s HIS 83 Ca -0.03 -0.06 -0.06 0.00 0.47 0.00 0.00 55.06 55.37 1uls s HIS 83 Cb -0.17 -2.27 -0.02 0.00 -0.13 0.00 0.00 32.58 29.98 1uls s HIS 83 CO -0.08 -0.16 -0.12 0.66 -2.47 0.00 0.00 174.74 172.57 1uls n TYR 84 N 4.70 0.00 0.00 3.88 0.53 -1.24 -1.80 117.16 123.23 1uls n TYR 84 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.73 1uls n TYR 84 Cb 0.52 -0.21 0.00 0.00 -1.03 0.00 0.00 39.34 38.62 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 -3.77 0.00 -2.49 -0.72 0.00 -1.26 -4.85 120.51 107.41 1uls n ALA 85 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1uls n ALA 85 Cb 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 0.88 0.13 0.00 0.00 -1.26 -4.73 107.32 102.34 1uls s GLY 86 Ca 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 44.72 43.36 1uls s GLY 86 CO 0.00 -1.10 0.26 -0.26 0.00 0.00 0.00 173.10 172.00 1uls s ILE 87 N -4.05 0.10 0.13 0.90 -4.36 -1.26 -5.05 121.20 107.61 1uls s ILE 87 Ca 0.26 -1.20 0.06 0.00 -0.26 0.00 0.00 60.65 59.50 1uls s ILE 87 Cb 0.05 -1.54 -0.04 0.00 1.25 0.00 0.00 42.46 42.18 1uls s ILE 87 CO 0.05 -0.46 -0.13 0.42 0.24 0.00 0.00 174.94 175.06 1uls s THR 88 N -3.90 1.29 -0.44 8.37 -4.23 -1.26 -4.90 115.64 110.56 1uls s THR 88 Ca 0.10 -1.78 0.07 0.00 -1.18 0.00 0.00 61.69 58.90 1uls s THR 88 Cb 0.04 -1.58 0.26 0.00 1.34 0.00 0.00 72.50 72.56 1uls s THR 88 CO -0.06 -0.49 0.78 0.54 -0.54 0.00 0.00 174.62 174.86 1uls n ARG 89 N 0.39 0.80 -1.62 3.99 3.00 -1.26 -5.05 116.66 116.91 1uls n ARG 89 Ca -0.14 -2.39 -0.37 0.00 -0.01 0.00 0.00 57.85 54.94 1uls n ARG 89 Cb 0.58 -1.35 0.07 0.00 0.00 0.00 0.00 32.46 31.76 1uls n ARG 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1uls n ASP 90 N 1.28 1.45 0.00 0.55 8.00 -1.26 -4.93 116.55 121.64 1uls n ASP 90 Ca 0.14 0.78 0.00 0.00 0.71 0.00 0.00 54.79 56.42 1uls n ASP 90 Cb 0.61 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1uls n ASP 90 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1uls n ASN 91 N -1.66 0.00 -4.76 -2.24 3.02 0.91 -5.03 115.26 105.49 1uls n ASN 91 Ca 0.15 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.32 1uls n ASN 91 Cb 0.48 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.25 2.67 0.36 3.10 0.40 -1.26 -4.18 117.98 117.83 1uls s PHE 92 Ca 0.00 1.46 0.16 0.00 -0.60 0.00 0.00 56.93 57.95 1uls s PHE 92 Cb 0.00 -3.57 1.05 0.00 0.51 0.00 0.00 43.02 41.01 1uls s PHE 92 CO 0.00 -2.07 1.73 1.12 0.70 0.00 0.00 175.22 176.69 1uls h HIS 93 N 1.97 0.82 0.00 0.36 2.07 -2.00 0.45 115.15 118.82 1uls h HIS 93 Ca -0.50 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.05 1uls h HIS 93 Cb 1.26 -0.23 -0.00 0.00 2.57 0.00 0.00 27.41 31.01 1uls h HIS 93 CO 0.51 0.00 -0.01 0.11 -3.07 0.00 0.00 177.93 175.47 1uls h TRP 94 N 0.43 0.00 -3.59 6.12 5.08 -2.04 -3.45 115.95 118.49 1uls h TRP 94 Ca 0.66 0.00 -0.71 0.00 1.08 0.00 0.00 58.89 59.91 1uls h TRP 94 Cb 1.52 0.00 -0.34 0.00 -3.00 0.00 0.00 29.16 27.35 1uls h TRP 94 CO -0.01 0.01 -0.27 0.15 -1.28 0.00 0.00 178.44 177.04 1uls s LYS 95 N -3.86 2.78 -0.04 0.12 1.02 0.15 -5.17 119.74 114.74 1uls s LYS 95 Ca -0.01 -2.56 -0.03 0.00 0.02 0.00 0.00 55.97 53.38 1uls s LYS 95 Cb 0.11 -3.86 0.02 0.00 -0.52 0.00 0.00 37.83 33.57 1uls s LYS 95 CO 0.50 -1.20 0.11 -1.25 -0.92 0.00 0.00 175.35 172.59 1uls s PRO 97 N -0.10 0.11 0.32 -1.68 0.04 -1.26 -4.85 135.00 127.57 1uls s PRO 97 Ca 0.18 0.18 0.09 0.00 0.04 0.00 0.00 61.00 61.49 1uls s PRO 97 Cb -0.18 0.00 0.92 0.00 0.04 0.00 0.00 34.50 35.28 1uls s PRO 97 CO -0.04 -0.05 1.66 1.25 0.04 0.00 0.00 177.00 179.86 1uls h LEU 98 N 6.27 0.33 -1.03 -3.56 6.46 -2.00 0.23 115.31 122.02 1uls h LEU 98 Ca -0.29 0.19 0.06 0.00 -0.12 0.00 0.00 57.88 57.72 1uls h LEU 98 Cb 1.19 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 41.23 1uls h LEU 98 CO 0.44 -0.12 0.64 1.05 -0.62 0.00 0.00 178.44 179.84 1uls h GLU 99 N 0.31 1.14 -0.48 1.25 4.11 -2.04 -0.06 114.58 118.82 1uls h GLU 99 Ca 0.65 -0.07 -0.11 0.00 0.07 0.00 0.00 59.36 59.91 1uls h GLU 99 Cb 1.41 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1uls h GLU 99 CO -0.61 0.76 -0.14 -0.44 0.07 0.00 0.00 179.01 178.64 1uls h ASP 100 N 1.18 0.90 -0.12 3.06 5.19 -0.96 -0.65 116.42 125.02 1uls h ASP 100 Ca 0.42 -0.30 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 1uls h ASP 100 Cb 0.14 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.40 1uls h ASP 100 CO -0.16 1.04 0.00 -0.25 -3.12 0.00 0.00 179.24 176.76 1uls h TRP 101 N 0.80 0.24 0.00 4.55 2.91 -0.97 -2.97 115.95 120.51 1uls h TRP 101 Ca 0.12 -0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.07 1uls h TRP 101 Cb 0.67 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.26 1uls h TRP 101 CO 0.04 0.45 -0.16 0.93 -1.03 0.00 0.00 178.44 178.67 1uls h GLU 102 N -0.04 0.00 -0.01 2.65 5.08 -0.92 -2.87 114.58 118.46 1uls h GLU 102 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1uls h GLU 102 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1uls h GLU 102 CO 0.01 0.16 -0.07 1.25 -1.00 0.00 0.00 179.01 179.36 1uls h LEU 103 N 0.00 0.09 -1.48 1.33 5.85 -1.03 -1.81 115.31 118.26 1uls h LEU 103 Ca -0.00 -0.67 -0.04 0.00 0.84 0.00 0.00 57.88 58.01 1uls h LEU 103 Cb 0.60 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1uls h LEU 103 CO 0.02 0.74 -0.14 -0.37 -0.34 0.00 0.00 178.44 178.35 1uls h VAL 104 N -0.56 1.16 -0.10 1.05 -1.51 -1.53 -0.29 116.25 114.48 1uls h VAL 104 Ca -0.00 -0.72 -0.06 0.00 -1.23 0.00 0.00 66.70 64.68 1uls h VAL 104 Cb 0.74 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 1uls h VAL 104 CO 0.01 0.22 -0.16 -0.07 -1.23 0.00 0.00 177.57 176.34 1uls h LEU 105 N 0.16 0.32 -0.60 4.19 3.38 -1.53 0.30 115.31 121.54 1uls h LEU 105 Ca 0.03 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.48 1uls h LEU 105 Cb 0.35 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1uls h LEU 105 CO 0.02 0.80 0.38 -0.09 0.09 0.00 0.00 178.44 179.64 1uls h ARG 106 N -0.15 0.74 0.02 1.13 2.43 -0.96 0.64 114.38 118.23 1uls h ARG 106 Ca 0.01 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1uls h ARG 106 Cb 0.73 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1uls h ARG 106 CO 0.04 0.49 -0.20 0.28 -1.51 0.00 0.00 179.97 179.06 1uls h VAL 107 N 0.76 1.64 0.01 0.20 2.07 -1.07 -1.40 116.25 118.46 1uls h VAL 107 Ca 0.23 -2.13 -0.00 0.00 0.82 0.00 0.00 66.70 65.62 1uls h VAL 107 Cb -0.03 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1uls h VAL 107 CO -0.08 0.57 -0.00 0.78 0.02 0.00 0.00 177.57 178.86 1uls h ASN 108 N -0.69 -0.01 0.00 0.57 2.35 -0.40 -3.06 115.58 114.34 1uls h ASN 108 Ca -0.03 -0.82 -0.03 0.00 -0.55 0.00 0.00 56.30 54.87 1uls h ASN 108 Cb 1.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.42 1uls h ASN 108 CO 0.04 0.87 -0.18 0.25 -1.65 0.00 0.00 177.43 176.76 1uls h LEU 109 N -0.95 0.00 -0.90 1.61 5.85 -1.04 -3.02 115.31 116.86 1uls h LEU 109 Ca -0.00 -0.60 -0.11 0.00 0.84 0.00 0.00 57.88 58.01 1uls h LEU 109 Cb 0.83 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1uls h LEU 109 CO 0.00 0.90 -0.45 0.74 -0.34 0.00 0.00 178.44 179.30 1uls h THR 110 N -1.00 1.32 -0.31 1.05 2.02 -1.10 -2.19 112.91 112.71 1uls h THR 110 Ca -0.04 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.54 1uls h THR 110 Cb 0.72 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1uls h THR 110 CO -0.03 0.48 0.20 1.23 0.37 0.00 0.00 175.52 177.77 1uls h GLY 111 N 1.27 0.44 1.72 2.16 0.00 -1.14 0.27 103.07 107.79 1uls h GLY 111 Ca 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1uls h GLY 111 CO 0.07 0.17 -0.03 1.76 0.00 0.00 0.00 176.54 178.51 1uls h SER 112 N 0.41 0.33 -0.09 0.19 0.02 -1.37 -0.83 113.55 112.21 1uls h SER 112 Ca 0.11 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1uls h SER 112 Cb -0.03 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 1uls h SER 112 CO -0.02 0.41 0.01 0.15 -1.14 0.00 0.00 176.83 176.24 1uls h PHE 113 N 0.35 0.17 -0.19 3.45 3.57 -0.71 -0.02 116.94 123.55 1uls h PHE 113 Ca 0.08 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1uls h PHE 113 Cb 0.28 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1uls h PHE 113 CO 0.01 0.38 0.08 -0.07 -2.23 0.00 0.00 178.31 176.49 1uls h LEU 114 N -0.10 0.12 -0.35 0.59 3.38 -0.40 0.12 115.31 118.67 1uls h LEU 114 Ca 0.03 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1uls h LEU 114 Cb 0.31 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1uls h LEU 114 CO 0.00 0.10 -0.06 0.58 0.09 0.00 0.00 178.44 179.15 1uls h VAL 115 N 0.19 1.27 -0.65 1.22 2.07 -1.16 -1.49 116.25 117.70 1uls h VAL 115 Ca 0.08 -1.11 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 1uls h VAL 115 Cb 0.03 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1uls h VAL 115 CO -0.07 0.36 0.12 0.00 0.02 0.00 0.00 177.57 178.01 1uls h ALA 116 N 0.83 0.99 -0.16 1.67 0.00 -0.85 0.24 119.26 121.97 1uls h ALA 116 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1uls h ALA 116 Cb 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1uls h ALA 116 CO 0.03 0.64 0.07 -0.22 0.00 0.00 0.00 179.25 179.78 1uls h LYS 117 N 0.99 0.24 -0.03 0.00 3.64 -0.64 0.34 116.57 121.11 1uls h LYS 117 Ca 0.20 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1uls h LYS 117 Cb 0.41 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1uls h LYS 117 CO 0.01 0.30 -0.02 0.00 -2.27 0.00 0.00 179.45 177.47 1uls h ALA 118 N 0.93 0.00 -0.58 5.00 0.00 -1.04 0.25 119.26 123.82 1uls h ALA 118 Ca 0.06 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1uls h ALA 118 Cb 0.15 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1uls h ALA 118 CO -0.01 -0.51 0.21 0.00 0.00 0.00 0.00 179.25 178.94 1uls h ALA 119 N 1.00 0.73 -0.32 0.00 0.00 -0.77 -1.54 119.26 118.37 1uls h ALA 119 Ca 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1uls h ALA 119 Cb 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1uls h ALA 119 CO -0.05 -0.20 0.16 1.03 0.00 0.00 0.00 179.25 180.19 1uls h SER 120 N 0.39 0.41 -0.55 0.00 0.87 -0.50 -2.64 113.55 111.52 1uls h SER 120 Ca 0.29 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1uls h SER 120 Cb 0.35 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1uls h SER 120 CO -0.29 0.40 0.37 -0.08 -0.53 0.00 0.00 176.83 176.69 1uls h GLU 121 N 0.38 0.61 -0.29 2.24 4.22 -0.37 0.38 114.58 121.76 1uls h GLU 121 Ca 0.11 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1uls h GLU 121 Cb 0.10 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1uls h GLU 121 CO -0.02 0.41 0.00 0.00 -2.18 0.00 0.00 179.01 177.22 1uls n ALA 122 N -2.47 2.21 -0.89 2.92 0.00 -0.63 -4.99 120.51 116.65 1uls n ALA 122 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1uls n ALA 122 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.26 0.00 -0.95 0.00 0.63 0.13 -4.60 116.66 111.61 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 0.07 -0.30 0.00 0.00 0.45 0.00 0.00 32.46 32.68 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 0.78 -0.81 -0.05 -0.14 1.02 -1.26 -4.78 120.64 115.40 1uls n GLU 125 Ca 0.00 0.20 -0.08 0.00 -0.02 0.00 0.00 57.16 57.27 1uls n GLU 125 Cb 0.00 -3.90 -0.04 0.00 -0.02 0.00 0.00 31.44 27.47 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 -1.19 0.23 -3.56 3.49 4.01 -1.26 -5.11 118.16 114.77 1uls n LYS 126 Ca 0.00 0.06 -0.06 0.00 -0.51 0.00 0.00 58.31 57.80 1uls n LYS 126 Cb 0.20 -1.10 -0.02 0.00 -0.51 0.00 0.00 35.03 33.60 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 -5.16 -0.24 0.81 4.39 4.22 -1.26 -5.16 114.94 112.54 1uls s ASN 127 Ca -0.13 0.04 -0.11 0.00 -2.14 0.00 0.00 52.86 50.52 1uls s ASN 127 Cb 0.04 0.25 0.08 0.00 1.28 0.00 0.00 41.25 42.89 1uls s ASN 127 CO 0.20 -0.38 1.09 -2.16 -2.04 0.00 0.00 177.10 173.81 1uls s PRO 128 N -2.51 1.96 0.02 3.55 0.04 -1.26 -4.58 135.00 132.22 1uls s PRO 128 Ca 0.07 1.01 -0.28 0.00 0.04 0.00 0.00 61.00 61.84 1uls s PRO 128 Cb -0.01 -1.87 0.10 0.00 0.04 0.00 0.00 34.50 32.75 1uls s PRO 128 CO -0.06 -1.81 1.24 0.20 0.04 0.00 0.00 177.00 176.62 1uls s GLY 129 N -3.46 -0.14 -0.05 0.56 0.00 -0.81 -4.82 107.32 98.60 1uls s GLY 129 Ca 0.62 0.10 0.02 0.00 0.00 0.00 0.00 44.72 45.46 1uls s GLY 129 CO 0.56 4.01 -0.08 -0.45 0.00 0.00 0.00 173.10 177.14 1uls s SER 130 N -3.58 1.28 -0.20 1.64 0.15 -0.87 0.10 113.70 112.23 1uls s SER 130 Ca 0.25 -0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 1uls s SER 130 Cb 0.00 -0.58 0.01 0.00 -1.71 0.00 0.00 66.02 63.74 1uls s SER 130 CO -0.00 -0.00 -0.13 -0.63 1.20 0.00 0.00 173.24 173.68 1uls s ILE 131 N 0.72 2.66 -0.25 6.45 1.01 0.16 -2.24 121.20 129.71 1uls s ILE 131 Ca -0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 1uls s ILE 131 Cb -0.14 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.16 1uls s ILE 131 CO 0.02 0.48 -0.01 -0.69 0.00 0.00 0.00 174.94 174.74 1uls s VAL 132 N 1.37 3.42 -0.07 2.92 1.01 0.05 -0.96 120.40 128.15 1uls s VAL 132 Ca 0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1uls s VAL 132 Cb -0.14 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1uls s VAL 132 CO -0.09 0.25 0.00 -0.76 0.00 0.00 0.00 175.10 174.51 1uls s LEU 133 N 1.44 3.57 -0.27 3.92 1.43 0.21 -0.75 118.68 128.23 1uls s LEU 133 Ca 0.03 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1uls s LEU 133 Cb -0.16 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1uls s LEU 133 CO -0.02 0.36 0.18 -0.89 0.23 0.00 0.00 176.35 176.22 1uls s THR 134 N -0.92 5.32 0.00 5.49 2.01 -0.74 -0.75 115.64 126.04 1uls s THR 134 Ca 0.14 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1uls s THR 134 Cb -0.11 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1uls s THR 134 CO 0.04 0.27 0.00 0.00 -0.69 0.00 0.00 174.62 174.23 1uls n ALA 135 N 4.93 0.00 -3.61 7.40 0.00 0.27 -4.90 120.51 124.59 1uls n ALA 135 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.25 1uls n ALA 135 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.44 -0.16 0.63 0.00 0.15 -1.25 -4.48 113.70 108.16 1uls s SER 136 Ca 0.00 0.14 0.37 0.00 0.70 0.00 0.00 55.95 57.16 1uls s SER 136 Cb 0.00 0.13 2.11 0.00 -1.71 0.00 0.00 66.02 66.55 1uls s SER 136 CO 0.00 -0.17 2.30 -0.09 1.20 0.00 0.00 173.24 176.49 1uls h ARG 137 N 2.19 0.00 0.00 5.44 1.12 -1.43 -1.73 114.38 119.97 1uls h ARG 137 Ca -0.11 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.76 1uls h ARG 137 Cb 1.18 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.14 1uls h ARG 137 CO 0.25 0.01 0.00 0.28 -3.11 0.00 0.00 179.97 177.39 1uls n VAL 138 N -3.45 0.88 0.13 0.20 0.31 -1.26 -2.91 118.33 112.22 1uls n VAL 138 Ca -0.03 0.28 0.08 0.00 -0.01 0.00 0.00 64.34 64.66 1uls n VAL 138 Cb 0.09 -1.21 0.42 0.00 -0.91 0.00 0.00 33.84 32.23 1uls n VAL 138 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uls n TYR 139 N -2.17 0.52 1.44 3.52 0.18 -0.65 0.11 117.16 120.11 1uls n TYR 139 Ca 0.02 0.27 0.12 0.00 1.88 0.00 0.00 57.90 60.19 1uls n TYR 139 Cb 0.20 -0.89 0.47 0.00 -0.38 0.00 0.00 39.34 38.74 1uls n TYR 139 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1uls n LEU 140 N -2.04 1.31 0.00 -3.48 4.77 -1.15 -4.55 117.00 111.86 1uls n LEU 140 Ca -0.01 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1uls n LEU 140 Cb 0.09 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1uls n LEU 140 CO 0.07 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1uls n GLY 141 N 1.09 2.09 3.63 -0.72 0.00 0.29 -5.13 105.19 106.44 1uls n GLY 141 Ca 0.17 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.69 0.28 1.61 2.47 -1.26 -4.87 114.94 112.49 1uls s ASN 142 Ca 0.00 1.31 -0.30 0.00 0.42 0.00 0.00 52.86 54.30 1uls s ASN 142 Cb 0.00 1.33 -0.13 0.00 -1.45 0.00 0.00 41.25 41.00 1uls s ASN 142 CO 0.00 -0.23 1.31 0.18 -3.72 0.00 0.00 177.10 174.64 1uls n LEU 143 N 2.65 3.06 0.00 3.21 4.77 -1.26 -1.95 117.00 127.49 1uls n LEU 143 Ca -0.14 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1uls n LEU 143 Cb 0.55 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1uls n LEU 143 CO 0.03 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.07 1uls n GLY 144 N 1.51 0.31 2.40 -0.72 0.00 -1.26 -4.89 105.19 102.54 1uls n GLY 144 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.32 2.61 -0.26 1.61 6.02 -0.82 -0.07 117.38 125.16 1uls n GLN 145 Ca 0.00 -3.80 0.04 0.00 -0.01 0.00 0.00 57.00 53.23 1uls n GLN 145 Cb 0.19 -1.91 0.17 0.00 1.02 0.00 0.00 30.24 29.72 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 2.36 1.05 -0.26 -1.58 0.00 -1.80 0.20 119.26 119.23 1uls h ALA 146 Ca 0.10 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1uls h ALA 146 Cb 1.40 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1uls h ALA 146 CO 0.45 -0.13 -0.25 -2.95 0.00 0.00 0.00 179.25 176.38 1uls h ASN 147 N 0.53 0.66 -0.22 0.00 -1.07 -1.91 -1.05 115.58 112.52 1uls h ASN 147 Ca 0.39 -0.47 -0.04 0.00 0.07 0.00 0.00 56.30 56.25 1uls h ASN 147 Cb 0.52 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.58 1uls h ASN 147 CO -0.34 1.00 -0.04 0.22 0.07 0.00 0.00 177.43 178.34 1uls h TYR 148 N 0.34 0.45 -0.17 4.14 3.20 -1.82 -1.18 116.97 121.93 1uls h TYR 148 Ca 0.04 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.84 1uls h TYR 148 Cb 0.80 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1uls h TYR 148 CO 0.07 0.63 0.02 0.00 -1.64 0.00 0.00 178.16 177.25 1uls h ALA 149 N 0.76 0.17 -0.48 1.82 0.00 -0.62 -2.84 119.26 118.07 1uls h ALA 149 Ca 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1uls h ALA 149 Cb 0.47 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1uls h ALA 149 CO 0.02 -0.41 0.26 0.00 0.00 0.00 0.00 179.25 179.11 1uls h ALA 150 N 1.13 0.61 0.00 0.00 0.00 -1.14 0.19 119.26 120.06 1uls h ALA 150 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uls h ALA 150 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1uls h ALA 150 CO -0.11 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1uls n SER 151 N -4.67 0.05 0.00 0.00 3.41 -0.45 -0.60 113.62 111.35 1uls n SER 151 Ca 0.02 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1uls n SER 151 Cb 0.09 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.26 0.00 0.01 7.33 0.00 0.68 -1.54 120.51 127.25 1uls n ALA 153 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1uls n ALA 153 Cb 0.01 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.52 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 0.59 1.00 0.00 0.00 -1.08 -2.72 103.07 100.86 1uls h GLY 154 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.60 1uls h GLY 154 CO 0.00 0.62 0.23 -2.08 0.00 0.00 0.00 176.54 175.31 1uls h VAL 155 N 0.42 1.23 -0.61 4.60 2.07 -1.54 0.15 116.25 122.56 1uls h VAL 155 Ca 0.01 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1uls h VAL 155 Cb 1.09 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1uls h VAL 155 CO 0.10 0.29 0.39 0.58 0.02 0.00 0.00 177.57 178.95 1uls h VAL 156 N 0.84 1.10 -0.20 2.57 2.07 -1.83 0.29 116.25 121.09 1uls h VAL 156 Ca 0.20 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1uls h VAL 156 Cb 0.23 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1uls h VAL 156 CO -0.01 0.14 -0.12 1.23 0.02 0.00 0.00 177.57 178.83 1uls h GLY 157 N 0.77 0.34 0.72 2.17 0.00 -1.12 -1.68 103.07 104.27 1uls h GLY 157 Ca 0.24 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1uls h GLY 157 CO -0.08 0.20 -0.14 -2.00 0.00 0.00 0.00 176.54 174.52 1uls h LEU 158 N 0.30 0.34 -0.59 3.11 5.85 0.19 -2.52 115.31 121.99 1uls h LEU 158 Ca 0.06 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 58.33 1uls h LEU 158 Cb 0.39 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1uls h LEU 158 CO 0.02 0.76 0.33 0.74 -0.34 0.00 0.00 178.44 179.96 1uls h THR 159 N -0.07 1.00 -0.58 1.05 2.02 -0.17 0.20 112.91 116.35 1uls h THR 159 Ca 0.02 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1uls h THR 159 Cb 0.67 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1uls h THR 159 CO 0.03 0.12 0.20 0.03 0.37 0.00 0.00 175.52 176.27 1uls h ARG 160 N 0.63 0.90 -0.10 6.66 3.08 -1.31 -0.50 114.38 123.74 1uls h ARG 160 Ca 0.25 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1uls h ARG 160 Cb 0.11 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1uls h ARG 160 CO -0.15 0.79 0.03 1.15 -1.07 0.00 0.00 179.97 180.72 1uls h THR 161 N 0.82 1.18 -0.69 2.04 2.02 -1.06 -2.22 112.91 115.00 1uls h THR 161 Ca 0.19 -0.57 0.05 0.00 0.77 0.00 0.00 66.41 66.85 1uls h THR 161 Cb 0.26 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 1uls h THR 161 CO -0.01 0.16 0.41 -0.07 0.37 0.00 0.00 175.52 176.39 1uls h LEU 162 N -0.04 0.65 -0.93 2.58 4.07 -0.83 -1.11 115.31 119.70 1uls h LEU 162 Ca 0.03 0.02 0.03 0.00 0.08 0.00 0.00 57.88 58.04 1uls h LEU 162 Cb 0.23 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 41.80 1uls h LEU 162 CO -0.00 0.43 0.60 0.00 -1.08 0.00 0.00 178.44 178.40 1uls h ALA 163 N 1.33 1.22 -0.64 1.53 0.00 -0.96 0.20 119.26 121.95 1uls h ALA 163 Ca 0.30 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1uls h ALA 163 Cb 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1uls h ALA 163 CO -0.15 0.48 0.05 -0.07 0.00 0.00 0.00 179.25 179.56 1uls h LEU 164 N 1.17 1.07 -0.15 0.00 3.38 -0.68 -1.80 115.31 118.30 1uls h LEU 164 Ca 0.37 -0.29 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1uls h LEU 164 Cb -0.00 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1uls h LEU 164 CO -0.12 1.09 -0.76 -0.33 0.09 0.00 0.00 178.44 178.42 1uls h GLU 165 N 1.01 0.00 -0.00 1.13 5.08 -0.43 -3.35 114.58 118.03 1uls h GLU 165 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1uls h GLU 165 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1uls h GLU 165 CO 0.02 0.76 -0.87 1.28 -1.00 0.00 0.00 179.01 179.20 1uls n LEU 166 N -3.37 1.10 -0.24 1.33 4.77 0.64 -4.59 117.00 116.64 1uls n LEU 166 Ca 0.01 -0.54 0.04 0.00 -0.03 0.00 0.00 56.01 55.49 1uls n LEU 166 Cb 0.81 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 42.07 1uls n LEU 166 CO 0.44 0.26 0.97 1.23 -1.33 0.00 0.00 177.39 178.95 1uls h GLY 167 N 4.71 1.02 2.00 -0.72 0.00 -1.43 -0.64 103.07 108.01 1uls h GLY 167 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1uls h GLY 167 CO 0.00 -0.13 0.00 0.07 0.00 0.00 0.00 176.54 176.48 1uls h ARG 168 N 0.35 0.00 -0.43 4.80 0.11 -1.84 -1.72 114.38 115.65 1uls h ARG 168 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1uls h ARG 168 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 1uls h ARG 168 CO -0.43 0.00 0.00 0.91 0.10 0.00 0.00 179.97 180.55 1uls n TRP 169 N -2.72 0.56 -1.10 4.08 7.02 -0.27 -4.93 117.44 120.09 1uls n TRP 169 Ca -0.01 -0.28 -0.03 0.00 -1.02 0.00 0.00 57.50 56.16 1uls n TRP 169 Cb 0.15 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.03 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 1.43 0.64 3.41 6.99 0.00 -0.65 -4.34 105.19 112.67 1uls n GLY 170 Ca 0.19 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.06 4.56 0.17 -0.61 1.01 -1.08 -1.92 121.20 121.27 1uls s ILE 171 Ca 0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 1uls s ILE 171 Cb 0.00 -3.41 -0.07 0.00 0.01 0.00 0.00 42.46 38.99 1uls s ILE 171 CO 0.00 -0.05 0.60 -0.13 0.00 0.00 0.00 174.94 175.36 1uls s ARG 172 N 1.58 4.06 -0.08 2.79 0.52 0.12 -3.85 118.95 124.09 1uls s ARG 172 Ca 0.03 0.61 0.01 0.00 -0.52 0.00 0.00 55.73 55.86 1uls s ARG 172 Cb -0.18 -2.92 0.02 0.00 0.52 0.00 0.00 34.95 32.39 1uls s ARG 172 CO 0.06 0.46 -0.07 0.08 0.02 0.00 0.00 175.30 175.84 1uls s VAL 173 N -1.48 0.88 0.04 3.52 1.01 -1.26 0.35 120.40 123.47 1uls s VAL 173 Ca 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1uls s VAL 173 Cb -0.16 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1uls s VAL 173 CO 0.20 0.32 -0.03 0.20 0.00 0.00 0.00 175.10 175.79 1uls s ASN 174 N 1.25 0.43 -0.07 3.32 0.01 -0.13 0.67 114.94 120.42 1uls s ASN 174 Ca -0.04 -0.88 0.05 0.00 -0.71 0.00 0.00 52.86 51.28 1uls s ASN 174 Cb -0.14 0.18 -0.01 0.00 0.41 0.00 0.00 41.25 41.69 1uls s ASN 174 CO -0.02 -0.53 -0.24 -0.89 -1.51 0.00 0.00 177.10 173.90 1uls s THR 175 N -3.34 2.03 -0.00 1.60 2.01 0.46 -0.62 115.64 117.78 1uls s THR 175 Ca 0.02 -1.04 -0.15 0.00 0.31 0.00 0.00 61.69 60.82 1uls s THR 175 Cb 0.04 -1.73 -0.06 0.00 0.01 0.00 0.00 72.50 70.76 1uls s THR 175 CO -0.08 0.56 0.42 -0.76 -0.69 0.00 0.00 174.62 174.08 1uls s LEU 176 N -0.01 4.47 -0.61 4.42 1.43 0.07 -0.50 118.68 127.95 1uls s LEU 176 Ca -0.08 0.98 0.05 0.00 -1.03 0.00 0.00 54.13 54.05 1uls s LEU 176 Cb -0.15 -2.61 0.20 0.00 0.03 0.00 0.00 46.19 43.66 1uls s LEU 176 CO 0.05 0.30 0.56 0.00 0.23 0.00 0.00 176.35 177.50 1uls n ALA 177 N 1.92 3.46 -1.42 4.21 0.00 0.85 0.95 120.51 130.48 1uls n ALA 177 Ca -0.13 -4.31 -0.34 0.00 0.00 0.00 0.00 53.44 48.66 1uls n ALA 177 Cb 0.52 -0.93 0.07 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.57 2.45 0.00 0.00 0.04 -1.26 -1.51 135.00 133.14 1uls s PRO 178 Ca 0.32 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1uls s PRO 178 Cb 0.05 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1uls s PRO 178 CO -0.12 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 175.78 1uls n GLY 179 N -0.08 0.64 3.53 0.56 0.00 0.66 -1.57 105.19 108.92 1uls n GLY 179 Ca 0.12 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 3.80 2.91 -0.14 1.61 5.36 -1.26 -4.88 117.98 125.38 1uls s PHE 180 Ca 0.00 0.06 0.01 0.00 -0.96 0.00 0.00 56.93 56.04 1uls s PHE 180 Cb 0.00 -3.86 -0.00 0.00 -0.34 0.00 0.00 43.02 38.81 1uls s PHE 180 CO 0.00 -1.16 -0.17 0.42 -1.46 0.00 0.00 175.22 172.85 1uls s ILE 181 N 3.57 2.57 -0.46 3.12 -1.09 -1.26 -0.05 121.20 127.59 1uls s ILE 181 Ca 0.30 -0.82 -0.13 0.00 -2.23 0.00 0.00 60.65 57.77 1uls s ILE 181 Cb -0.13 -2.06 0.08 0.00 -1.58 0.00 0.00 42.46 38.78 1uls s ILE 181 CO 0.21 0.53 0.36 -1.61 -1.23 0.00 0.00 174.94 173.20 1uls s GLU 182 N 0.60 2.85 0.12 2.79 2.02 -0.67 -4.90 118.70 121.51 1uls s GLU 182 Ca -0.10 -1.44 -0.23 0.00 0.02 0.00 0.00 54.97 53.23 1uls s GLU 182 Cb -0.16 -4.04 -0.07 0.00 0.10 0.00 0.00 34.13 29.96 1uls s GLU 182 CO 0.03 -1.05 0.68 0.95 0.02 0.00 0.00 175.26 175.90 1uls s THR 183 N 1.56 4.55 -0.18 3.63 -4.23 -1.26 -4.70 115.64 115.01 1uls s THR 183 Ca 0.04 1.48 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 1uls s THR 183 Cb -0.25 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.57 1uls s THR 183 CO 0.05 0.53 0.00 -1.14 -0.54 0.00 0.00 174.62 173.52 1uls n ARG 184 N 1.68 0.00 -1.78 3.99 0.63 -1.26 -4.82 116.66 115.10 1uls n ARG 184 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1uls n ARG 184 Cb 0.50 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 32.34 1uls n ARG 184 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1uls n THR 186 N 0.69 -5.62 -0.80 5.15 -1.04 -1.26 -5.11 114.28 106.30 1uls n THR 186 Ca 0.00 2.59 -0.33 0.00 -2.04 0.00 0.00 64.05 64.27 1uls n THR 186 Cb 0.00 -3.50 0.12 0.00 -1.82 0.00 0.00 70.33 65.13 1uls n THR 186 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uls n ALA 187 N -0.49 -3.19 -2.58 2.41 0.00 -1.26 -4.95 120.51 110.45 1uls n ALA 187 Ca 0.00 -0.74 -0.37 0.00 0.00 0.00 0.00 53.44 52.33 1uls n ALA 187 Cb 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 19.45 17.72 1uls n ALA 187 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1uls s LYS 188 N -3.42 3.80 0.48 0.00 -0.14 -1.26 -5.02 119.74 114.17 1uls s LYS 188 Ca 0.55 0.26 -0.20 0.00 -1.36 0.00 0.00 55.97 55.22 1uls s LYS 188 Cb -0.19 -3.15 -0.09 0.00 -1.68 0.00 0.00 37.83 32.73 1uls s LYS 188 CO 0.69 0.66 1.00 0.14 -0.76 0.00 0.00 175.35 177.08 1uls s VAL 189 N -1.18 4.11 0.77 3.17 -7.23 -1.26 -4.98 120.40 113.81 1uls s VAL 189 Ca 0.26 1.25 -0.16 0.00 -1.81 0.00 0.00 61.98 61.52 1uls s VAL 189 Cb -0.15 -3.53 -0.08 0.00 0.56 0.00 0.00 36.38 33.18 1uls s VAL 189 CO 0.14 -0.34 0.09 -0.81 -0.31 0.00 0.00 175.10 173.87 1uls n PRO 190 N -0.99 0.10 -0.06 4.82 -0.04 -1.26 -4.62 135.00 132.95 1uls n PRO 190 Ca 0.08 0.06 0.03 0.00 -0.04 0.00 0.00 63.50 63.63 1uls n PRO 190 Cb 0.53 -1.49 0.38 0.00 -0.04 0.00 0.00 33.50 32.88 1uls n PRO 190 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1uls h GLU 191 N -0.59 0.65 -0.24 0.54 4.11 -2.00 -2.32 114.58 114.73 1uls h GLU 191 Ca -0.44 -0.04 -0.11 0.00 0.07 0.00 0.00 59.36 58.84 1uls h GLU 191 Cb 1.35 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1uls h GLU 191 CO 0.37 0.43 -0.33 -0.22 0.07 0.00 0.00 179.01 179.34 1uls h LYS 192 N 0.67 0.49 -0.05 1.06 1.63 -2.00 -2.67 116.57 115.70 1uls h LYS 192 Ca 0.19 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1uls h LYS 192 Cb -0.05 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1uls h LYS 192 CO -0.04 0.76 -0.04 0.28 -3.45 0.00 0.00 179.45 176.95 1uls h VAL 193 N 0.42 1.36 -0.44 2.00 2.07 -1.76 -2.69 116.25 117.22 1uls h VAL 193 Ca 0.05 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1uls h VAL 193 Cb 0.78 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 1uls h VAL 193 CO 0.06 0.31 0.19 -0.09 0.02 0.00 0.00 177.57 178.07 1uls h ARG 194 N -0.31 0.38 -0.91 1.57 2.43 -1.46 -0.18 114.38 115.91 1uls h ARG 194 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1uls h ARG 194 Cb 0.52 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1uls h ARG 194 CO 0.01 0.25 0.57 0.93 -1.51 0.00 0.00 179.97 180.22 1uls h GLU 195 N 0.39 1.22 -0.13 0.20 5.08 -1.52 -1.30 114.58 118.51 1uls h GLU 195 Ca 0.20 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1uls h GLU 195 Cb 0.14 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1uls h GLU 195 CO -0.17 0.83 -0.45 -0.22 -1.00 0.00 0.00 179.01 178.01 1uls h LYS 196 N 1.24 0.32 0.62 2.33 1.63 -1.09 -1.43 116.57 120.17 1uls h LYS 196 Ca 0.33 -0.16 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 1uls h LYS 196 Cb -0.09 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1uls h LYS 196 CO -0.07 0.70 -0.30 0.00 -3.45 0.00 0.00 179.45 176.34 1uls h ALA 197 N 1.27 -0.83 -0.76 5.00 0.00 -0.37 -2.66 119.26 120.93 1uls h ALA 197 Ca 0.02 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.81 1uls h ALA 197 Cb 0.89 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1uls h ALA 197 CO 0.07 -0.79 0.43 0.82 0.00 0.00 0.00 179.25 179.78 1uls h ILE 198 N -1.18 0.95 -0.06 0.00 2.04 -1.30 -0.96 117.51 117.00 1uls h ILE 198 Ca -0.08 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1uls h ILE 198 Cb 0.66 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1uls h ILE 198 CO 0.14 0.14 0.04 0.00 0.00 0.00 0.00 178.15 178.47 1uls h ALA 199 N 1.40 2.05 -0.23 1.87 0.00 -1.29 -0.93 119.26 122.13 1uls h ALA 199 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1uls h ALA 199 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1uls h ALA 199 CO -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 178.97 1uls n ALA 200 N -2.55 2.49 -3.26 0.00 0.00 -0.39 -4.79 120.51 112.01 1uls n ALA 200 Ca -0.02 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.43 1uls n ALA 200 Cb 0.15 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.70 3.80 0.32 0.00 2.01 -0.35 -4.20 115.64 115.52 1uls s THR 201 Ca 0.32 -1.20 0.11 0.00 0.31 0.00 0.00 61.69 61.23 1uls s THR 201 Cb 0.18 -3.19 0.32 0.00 0.01 0.00 0.00 72.50 69.82 1uls s THR 201 CO 0.26 -0.23 1.68 -0.65 -0.69 0.00 0.00 174.62 174.98 1uls h PRO 202 N 8.23 0.35 0.00 4.92 0.11 -1.77 0.79 132.00 144.63 1uls h PRO 202 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1uls h PRO 202 Cb 1.08 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1uls h PRO 202 CO 0.62 0.23 0.00 1.28 -0.21 0.00 0.00 178.00 179.92 1uls n LEU 203 N -5.05 0.00 -2.00 2.35 4.77 -1.05 -4.90 117.00 111.11 1uls n LEU 203 Ca 0.28 0.37 -0.18 0.00 -0.03 0.00 0.00 56.01 56.46 1uls n LEU 203 Cb 0.86 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1uls n LEU 203 CO 0.10 -0.18 -0.23 0.61 -1.33 0.00 0.00 177.39 176.37 1uls n GLY 204 N 0.04 -0.10 3.85 -0.72 0.00 0.27 -4.98 105.19 103.55 1uls n GLY 204 Ca 0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.74 1.81 0.54 1.61 1.70 -1.26 -5.01 118.95 113.61 1uls s ARG 205 Ca 0.00 -1.02 -0.07 0.00 -0.47 0.00 0.00 55.73 54.17 1uls s ARG 205 Cb 0.00 0.61 -0.03 0.00 -0.57 0.00 0.00 34.95 34.96 1uls s ARG 205 CO 0.00 -0.83 0.88 0.00 -1.08 0.00 0.00 175.30 174.27 1uls s ALA 206 N -3.84 3.29 0.50 7.88 0.00 -1.26 -4.89 121.76 123.43 1uls s ALA 206 Ca 0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 1uls s ALA 206 Cb -0.06 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1uls s ALA 206 CO 0.07 -0.53 0.78 0.20 0.00 0.00 0.00 175.76 176.28 1uls s GLY 207 N -4.16 1.53 0.04 0.00 0.00 0.93 -4.88 107.32 100.78 1uls s GLY 207 Ca 0.51 -0.73 0.05 0.00 0.00 0.00 0.00 44.72 44.55 1uls s GLY 207 CO 0.48 -0.54 -0.11 0.54 0.00 0.00 0.00 173.10 173.47 1uls s LYS 208 N -4.74 2.31 0.37 2.90 1.02 -1.26 -1.67 119.74 118.67 1uls s LYS 208 Ca 0.49 -0.87 0.14 0.00 0.02 0.00 0.00 55.97 55.75 1uls s LYS 208 Cb -0.10 -2.36 0.96 0.00 -0.52 0.00 0.00 37.83 35.81 1uls s LYS 208 CO 0.43 0.56 1.82 -1.00 -0.92 0.00 0.00 175.35 176.23 1uls h PRO 209 N 4.36 0.52 -0.64 -1.68 0.13 -1.94 -0.77 132.00 131.97 1uls h PRO 209 Ca -0.48 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1uls h PRO 209 Cb 1.16 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 1uls h PRO 209 CO 0.51 0.34 0.42 1.25 -0.23 0.00 0.00 178.00 180.30 1uls h LEU 210 N 0.54 0.70 -1.05 1.56 6.46 -1.92 -0.37 115.31 121.21 1uls h LEU 210 Ca 0.53 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.24 1uls h LEU 210 Cb 1.12 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.85 1uls h LEU 210 CO -0.26 0.49 0.27 -0.33 -0.62 0.00 0.00 178.44 177.99 1uls h GLU 211 N 0.81 0.94 -0.05 1.25 5.08 -1.55 0.91 114.58 121.97 1uls h GLU 211 Ca 0.25 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 1uls h GLU 211 Cb -0.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1uls h GLU 211 CO -0.06 0.76 -0.71 0.28 -1.00 0.00 0.00 179.01 178.27 1uls h VAL 212 N 0.93 1.42 -0.60 3.13 2.07 -1.27 -2.99 116.25 118.94 1uls h VAL 212 Ca 0.22 -2.21 -0.02 0.00 0.82 0.00 0.00 66.70 65.51 1uls h VAL 212 Cb 0.16 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 1uls h VAL 212 CO -0.02 0.65 0.29 0.00 0.02 0.00 0.00 177.57 178.51 1uls h ALA 213 N 1.07 0.77 -0.60 1.67 0.00 0.12 -1.96 119.26 120.33 1uls h ALA 213 Ca -0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1uls h ALA 213 Cb 1.27 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1uls h ALA 213 CO 0.11 0.33 0.18 1.88 0.00 0.00 0.00 179.25 181.75 1uls h TYR 214 N 0.82 0.94 -0.77 0.00 -1.99 -0.81 0.61 116.97 115.78 1uls h TYR 214 Ca 0.21 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.82 1uls h TYR 214 Cb 0.11 -0.28 -0.04 0.00 2.00 0.00 0.00 36.73 38.53 1uls h TYR 214 CO -0.00 0.76 0.35 0.00 -0.00 0.00 0.00 178.16 179.28 1uls h ALA 215 N 1.30 1.18 -0.43 3.88 0.00 -1.32 -0.52 119.26 123.36 1uls h ALA 215 Ca 0.20 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1uls h ALA 215 Cb 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1uls h ALA 215 CO -0.01 0.62 -0.26 0.00 0.00 0.00 0.00 179.25 179.60 1uls h ALA 216 N 1.29 0.61 -0.24 0.00 0.00 -0.67 -2.35 119.26 117.90 1uls h ALA 216 Ca 0.26 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1uls h ALA 216 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1uls h ALA 216 CO -0.03 0.62 0.03 1.25 0.00 0.00 0.00 179.25 181.12 1uls h LEU 217 N 0.76 -0.03 -0.05 0.00 6.46 -0.26 -0.69 115.31 121.48 1uls h LEU 217 Ca 0.09 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1uls h LEU 217 Cb 0.84 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.82 1uls h LEU 217 CO 0.07 0.01 -0.05 0.15 -0.62 0.00 0.00 178.44 178.01 1uls h PHE 218 N 0.11 -0.13 0.00 1.25 3.57 -1.00 -0.73 116.94 120.01 1uls h PHE 218 Ca 0.11 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 1uls h PHE 218 Cb 0.13 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1uls h PHE 218 CO -0.17 -0.08 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.48 1uls h LEU 219 N -0.07 0.00 0.00 0.59 3.38 -1.18 -3.15 115.31 114.88 1uls h LEU 219 Ca 0.04 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.75 1uls h LEU 219 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1uls h LEU 219 CO -0.10 0.28 -1.52 0.25 0.09 0.00 0.00 178.44 177.44 1uls h LEU 220 N 0.00 0.00-10.45 1.67 6.46 -0.92 -3.46 115.31 108.61 1uls h LEU 220 Ca -0.00 0.00 -0.48 0.00 -0.12 0.00 0.00 57.88 57.28 1uls h LEU 220 Cb 0.63 0.00 0.12 0.00 -0.73 0.00 0.00 40.66 40.68 1uls h LEU 220 CO 0.04 0.94 0.33 -0.94 -0.62 0.00 0.00 178.44 178.19 1uls s SER 221 N -6.18 4.24 0.00 1.25 1.04 -0.30 -4.69 113.70 109.05 1uls s SER 221 Ca -0.03 1.17 0.18 0.00 0.48 0.00 0.00 55.95 57.75 1uls s SER 221 Cb 0.08 -1.85 1.03 0.00 0.10 0.00 0.00 66.02 65.38 1uls s SER 221 CO 0.82 -2.12 1.50 0.47 0.98 0.00 0.00 173.24 174.90 1uls n ASP 222 N -3.51 0.00 0.26 7.02 8.00 -1.26 -2.75 116.55 124.31 1uls n ASP 222 Ca 0.07 -0.37 0.15 0.00 0.71 0.00 0.00 54.79 55.35 1uls n ASP 222 Cb 0.57 -0.10 0.53 0.00 -0.02 0.00 0.00 41.12 42.11 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 -0.40 -1.24 5.08 -1.92 -2.61 114.58 113.49 1uls h GLU 223 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1uls h GLU 223 Cb 0.06 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1uls h GLU 223 CO 0.00 0.04 0.05 -1.13 -1.00 0.00 0.00 179.01 176.97 1uls n SER 224 N -3.14 3.93 -0.16 1.42 3.41 -1.11 -4.74 113.62 113.24 1uls n SER 224 Ca 0.01 -3.21 0.29 0.00 -0.26 0.00 0.00 58.87 55.70 1uls n SER 224 Cb 0.38 -0.62 0.69 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 1.95 0.00 -0.47 4.04 4.64 -1.63 0.19 113.55 122.26 1uls h SER 225 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1uls h SER 225 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 1uls h SER 225 CO 0.38 0.00 0.00 0.33 -0.87 0.00 0.00 176.83 176.67 1uls n PHE 226 N -3.83 1.27 -4.33 4.77 7.35 -1.26 -4.92 117.46 116.50 1uls n PHE 226 Ca 0.19 -0.69 -0.34 0.00 -0.76 0.00 0.00 57.45 55.85 1uls n PHE 226 Cb 1.08 -0.28 -0.15 0.00 0.35 0.00 0.00 39.48 40.49 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 -2.16 2.95 -0.05 -2.13 1.01 0.65 -5.11 121.20 116.36 1uls s ILE 227 Ca 0.45 -0.66 -0.25 0.00 0.00 0.00 0.00 60.65 60.18 1uls s ILE 227 Cb 0.32 -2.28 0.05 0.00 0.01 0.00 0.00 42.46 40.56 1uls s ILE 227 CO 0.17 0.49 0.56 0.28 0.00 0.00 0.00 174.94 176.44 1uls s THR 228 N 0.96 0.02 -0.81 2.92 -1.32 -1.26 -4.75 115.64 111.40 1uls s THR 228 Ca -0.02 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.32 1uls s THR 228 Cb -0.15 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1uls s THR 228 CO -0.01 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 1uls n GLY 229 N 1.12 0.75 3.89 6.08 0.00 0.21 -4.96 105.19 112.28 1uls n GLY 229 Ca -0.20 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.13 3.25 -0.30 1.61 -1.52 -1.26 -4.79 119.66 113.52 1uls s GLN 230 Ca 0.00 -0.68 -0.02 0.00 -1.95 0.00 0.00 55.36 52.71 1uls s GLN 230 Cb 0.00 -2.86 0.05 0.00 -0.22 0.00 0.00 33.01 29.98 1uls s GLN 230 CO 0.00 0.52 0.00 0.08 -0.25 0.00 0.00 175.29 175.64 1uls s VAL 231 N -1.72 2.98 -0.35 1.09 1.01 -1.26 -0.41 120.40 121.75 1uls s VAL 231 Ca 0.33 -1.41 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 1uls s VAL 231 Cb -0.11 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1uls s VAL 231 CO 0.27 -0.13 0.25 -0.22 0.00 0.00 0.00 175.10 175.27 1uls s LEU 232 N 1.24 4.59 -0.12 3.92 2.96 0.35 -4.94 118.68 126.68 1uls s LEU 232 Ca -0.05 -0.48 -0.24 0.00 -0.22 0.00 0.00 54.13 53.15 1uls s LEU 232 Cb -0.20 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 1uls s LEU 232 CO -0.01 -0.26 0.75 -0.36 -1.32 0.00 0.00 176.35 175.15 1uls s PHE 233 N 1.72 3.50 -0.65 5.38 0.40 -1.26 -0.10 117.98 126.96 1uls s PHE 233 Ca 0.06 1.23 0.06 0.00 -0.60 0.00 0.00 56.93 57.68 1uls s PHE 233 Cb -0.18 -2.89 0.21 0.00 0.51 0.00 0.00 43.02 40.67 1uls s PHE 233 CO 0.10 -0.07 0.62 0.28 0.70 0.00 0.00 175.22 176.86 1uls n VAL 234 N 4.24 1.80 -1.00 -0.44 0.31 -0.57 -4.80 118.33 117.86 1uls n VAL 234 Ca 0.01 -4.96 0.01 0.00 -0.01 0.00 0.00 64.34 59.40 1uls n VAL 234 Cb 0.50 -2.12 0.02 0.00 -0.91 0.00 0.00 33.84 31.34 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 1.42 0.82 -1.71 4.52 3.85 -1.26 -0.25 116.55 123.94 1uls n ASP 235 Ca 0.25 -1.77 -0.19 0.00 -0.71 0.00 0.00 54.79 52.37 1uls n ASP 235 Cb 0.39 -0.11 -0.05 0.00 -1.35 0.00 0.00 41.12 40.00 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 -0.33 1.01 1.60 6.12 0.00 -1.26 -2.12 105.19 110.21 1uls n GLY 236 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.78 0.76 0.34 -0.02 0.00 -1.26 -2.54 105.19 101.69 1uls n GLY 237 Ca -0.20 0.00 0.17 0.00 0.00 0.00 0.00 46.02 45.99 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 3.06 0.00 -0.54 1.61 9.65 -1.59 -1.72 114.38 124.85 1uls h ARG 238 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1uls h ARG 238 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1uls h ARG 238 CO 0.00 0.00 0.00 -2.37 2.80 0.00 0.00 179.97 180.40 1uls n THR 239 N -3.88 0.71 0.15 0.20 5.66 -1.26 -4.00 114.28 111.86 1uls n THR 239 Ca 0.03 -0.80 0.01 0.00 -3.05 0.00 0.00 64.05 60.23 1uls n THR 239 Cb 0.38 0.63 0.30 0.00 -1.55 0.00 0.00 70.33 70.08 1uls n THR 239 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1uls h ILE 240 N 4.00 1.30 0.00 1.09 2.04 -1.68 -3.39 117.51 120.87 1uls h ILE 240 Ca 0.00 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.42 1uls h ILE 240 Cb 0.90 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1uls h ILE 240 CO 0.00 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.18 1uls n GLY 241 N -0.31 -0.80 3.86 5.37 0.00 -1.26 -5.21 105.19 106.84 1uls n GLY 241 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1uls n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32