#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 2.88 -4.70 0.55 4.77 -0.56 -4.62 117.00 115.33 1uls n LEU 3 Ca 0.00 -3.95 -0.54 0.00 -0.03 0.00 0.00 56.01 51.49 1uls n LEU 3 Cb 0.00 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.53 1uls n LEU 3 CO 0.00 1.46 1.36 1.17 -1.33 0.00 0.00 177.39 180.04 1uls n LYS 4 N -1.04 1.50 -0.92 3.23 4.81 -1.09 -0.99 118.16 123.66 1uls n LYS 4 Ca 0.21 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1uls n LYS 4 Cb 0.73 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.49 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 5.60 -4.49 -4.73 3.14 10.43 -0.53 -4.96 116.55 121.02 1uls n ASP 5 Ca 0.25 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 57.19 1uls n ASP 5 Cb 0.19 -2.82 -0.04 0.00 1.84 0.00 0.00 41.12 40.29 1uls n ASP 5 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1uls s LYS 6 N -1.51 4.58 -0.38 -1.24 -0.14 -0.16 -4.77 119.74 116.11 1uls s LYS 6 Ca 0.00 1.62 -0.19 0.00 -1.36 0.00 0.00 55.97 56.04 1uls s LYS 6 Cb 0.00 -3.34 0.01 0.00 -1.68 0.00 0.00 37.83 32.82 1uls s LYS 6 CO 0.00 0.02 0.58 0.00 -0.76 0.00 0.00 175.35 175.19 1uls s ALA 7 N 0.28 3.43 0.01 5.17 0.00 -1.26 -1.04 121.76 128.35 1uls s ALA 7 Ca 0.51 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.46 1uls s ALA 7 Cb -0.27 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1uls s ALA 7 CO 0.31 -1.45 -0.15 0.08 0.00 0.00 0.00 175.76 174.55 1uls s VAL 8 N 2.59 1.18 -0.08 0.00 1.01 -0.83 0.35 120.40 124.62 1uls s VAL 8 Ca 0.21 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1uls s VAL 8 Cb -0.15 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1uls s VAL 8 CO 0.15 0.19 -0.16 -0.22 0.00 0.00 0.00 175.10 175.06 1uls s LEU 9 N -0.72 2.57 -0.08 3.92 0.20 -0.93 -1.91 118.68 121.73 1uls s LEU 9 Ca 0.04 -0.31 0.03 0.00 0.69 0.00 0.00 54.13 54.58 1uls s LEU 9 Cb -0.07 -1.53 0.01 0.00 -0.43 0.00 0.00 46.19 44.17 1uls s LEU 9 CO 0.00 0.26 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.53 1uls s ILE 10 N -0.23 1.47 0.30 6.68 1.01 -0.66 -1.52 121.20 128.26 1uls s ILE 10 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1uls s ILE 10 Cb -0.13 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 1uls s ILE 10 CO 0.03 0.43 0.48 0.42 0.00 0.00 0.00 174.94 176.30 1uls s THR 11 N 0.61 5.16 -1.64 2.92 -4.23 -0.66 -0.68 115.64 117.11 1uls s THR 11 Ca -0.15 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1uls s THR 11 Cb -0.16 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.82 1uls s THR 11 CO 0.05 -0.46 0.08 0.61 -0.54 0.00 0.00 174.62 174.35 1uls n GLY 12 N -1.61 -0.50 0.00 3.99 0.00 0.22 -3.77 105.19 103.52 1uls n GLY 12 Ca -0.06 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.27 1.90 0.08 4.61 0.00 -0.64 -3.61 120.51 120.59 1uls n ALA 13 Ca -0.21 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 1uls n ALA 13 Cb 0.67 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 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 2.72 0.37 -0.24 0.00 0.00 -1.87 -2.96 119.26 117.27 1uls h ALA 14 Ca 0.00 -0.75 -0.68 0.00 0.00 0.00 0.00 54.91 53.47 1uls h ALA 14 Cb 0.28 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.90 1uls h ALA 14 CO 0.00 0.89 -0.50 -3.38 0.00 0.00 0.00 179.25 176.26 1uls s HIS 15 N -3.11 1.76 0.00 0.00 0.00 -1.24 -4.69 115.29 108.01 1uls s HIS 15 Ca -0.04 -1.03 0.00 0.00 -3.00 0.00 0.00 55.06 50.99 1uls s HIS 15 Cb 0.09 -1.55 0.00 0.00 -4.00 0.00 0.00 32.58 27.12 1uls s HIS 15 CO 0.86 0.16 0.00 0.41 -1.00 0.00 0.00 174.74 175.16 1uls n GLY 16 N -1.29 0.00 0.32 -1.38 0.00 -1.26 -0.00 105.19 101.58 1uls n GLY 16 Ca -0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 0.99 -0.45 -0.61 2.04 -1.89 -1.11 117.51 116.48 1uls h ILE 17 Ca 0.00 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1uls h ILE 17 Cb 0.00 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 1uls h ILE 17 CO 0.00 0.17 0.11 1.23 0.00 0.00 0.00 178.15 179.66 1uls h GLY 18 N 0.92 0.78 1.04 5.37 0.00 -1.45 -0.73 103.07 108.99 1uls h GLY 18 Ca 0.39 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1uls h GLY 18 CO -0.20 0.46 0.19 -0.09 0.00 0.00 0.00 176.54 176.90 1uls h ARG 19 N 0.60 1.05 -0.57 4.80 9.65 -0.04 -0.46 114.38 129.41 1uls h ARG 19 Ca 0.14 -0.24 -0.08 0.00 -1.10 0.00 0.00 59.98 58.71 1uls h ARG 19 Cb 0.32 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1uls h ARG 19 CO 0.00 0.92 0.05 0.00 2.80 0.00 0.00 179.97 183.74 1uls h ALA 20 N 1.08 1.00 -0.38 2.80 0.00 -1.02 -1.72 119.26 121.02 1uls h ALA 20 Ca 0.21 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1uls h ALA 20 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1uls h ALA 20 CO -0.00 0.62 -0.02 1.15 0.00 0.00 0.00 179.25 181.00 1uls h THR 21 N 0.89 1.26 -0.31 0.00 2.02 -0.82 -1.86 112.91 114.09 1uls h THR 21 Ca 0.17 -1.03 0.05 0.00 0.77 0.00 0.00 66.41 66.37 1uls h THR 21 Cb 0.46 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 1uls h THR 21 CO 0.02 0.35 0.02 0.25 0.37 0.00 0.00 175.52 176.52 1uls h LEU 22 N 0.50 -0.09 -0.40 2.58 6.46 -0.78 0.13 115.31 123.71 1uls h LEU 22 Ca 0.11 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1uls h LEU 22 Cb 0.50 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 1uls h LEU 22 CO 0.02 -0.01 0.22 -0.33 -0.62 0.00 0.00 178.44 177.72 1uls h GLU 23 N 0.11 0.56 -0.24 1.25 5.08 -1.19 -1.48 114.58 118.66 1uls h GLU 23 Ca 0.15 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1uls h GLU 23 Cb 0.19 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1uls h GLU 23 CO -0.24 0.45 0.06 1.25 -1.00 0.00 0.00 179.01 179.53 1uls h LEU 24 N 0.51 0.36 -1.71 1.33 6.46 -0.99 -2.40 115.31 118.88 1uls h LEU 24 Ca 0.14 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1uls h LEU 24 Cb 0.05 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1uls h LEU 24 CO -0.02 0.50 -0.16 -0.26 -0.62 0.00 0.00 178.44 177.87 1uls h PHE 25 N 0.22 0.00 -0.29 1.25 -1.00 -0.65 -1.45 116.94 115.02 1uls h PHE 25 Ca 0.08 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.68 1uls h PHE 25 Cb 0.27 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 1uls h PHE 25 CO 0.01 0.16 -0.49 0.00 -1.61 0.00 0.00 178.31 176.38 1uls h ALA 26 N 1.84 0.45 0.00 2.45 0.00 -0.98 -2.07 119.26 120.95 1uls h ALA 26 Ca -0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1uls h ALA 26 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1uls h ALA 26 CO 0.02 0.63 -0.25 0.87 0.00 0.00 0.00 179.25 180.52 1uls h LYS 27 N 0.62 0.00 -0.10 0.00 1.57 -0.89 -1.31 116.57 116.46 1uls h LYS 27 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1uls h LYS 27 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1uls h LYS 27 CO 0.11 0.25 0.00 0.39 -0.57 0.00 0.00 179.45 179.63 1uls n GLU 28 N -4.02 1.27 -2.24 3.15 -0.58 -0.61 -4.91 120.64 112.70 1uls n GLU 28 Ca -0.02 -0.42 -0.05 0.00 -0.42 0.00 0.00 57.16 56.25 1uls n GLU 28 Cb 0.32 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 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 0.75 0.30 3.89 0.62 0.00 -0.49 -1.50 105.19 108.76 1uls n GLY 29 Ca 0.07 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.43 3.56 -0.45 4.61 0.00 -0.80 -1.45 121.76 124.80 1uls s ALA 30 Ca 0.03 -0.40 -0.17 0.00 0.00 0.00 0.00 51.96 51.42 1uls s ALA 30 Cb -0.01 -2.41 0.04 0.00 0.00 0.00 0.00 23.12 20.74 1uls s ALA 30 CO 0.04 0.30 0.47 1.03 0.00 0.00 0.00 175.76 177.60 1uls s ARG 31 N -3.32 3.07 0.21 0.00 0.52 -0.21 -4.75 118.95 114.47 1uls s ARG 31 Ca 0.46 -0.94 0.05 0.00 -0.52 0.00 0.00 55.73 54.78 1uls s ARG 31 Cb -0.11 -4.04 -0.03 0.00 0.52 0.00 0.00 34.95 31.29 1uls s ARG 31 CO 0.27 -0.98 0.26 -0.51 0.02 0.00 0.00 175.30 174.37 1uls s LEU 32 N 2.12 4.11 -0.13 2.53 1.43 -1.26 -1.96 118.68 125.51 1uls s LEU 32 Ca 0.11 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1uls s LEU 32 Cb -0.19 -2.66 0.04 0.00 0.03 0.00 0.00 46.19 43.40 1uls s LEU 32 CO 0.11 -0.01 -0.03 -0.69 0.23 0.00 0.00 176.35 175.97 1uls s VAL 33 N -1.93 0.76 -0.19 -1.59 1.01 -0.80 -1.62 120.40 116.04 1uls s VAL 33 Ca 0.33 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1uls s VAL 33 Cb -0.09 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1uls s VAL 33 CO 0.27 0.16 0.17 0.00 0.00 0.00 0.00 175.10 175.70 1uls s ALA 34 N 1.79 3.67 -0.02 5.51 0.00 -0.21 -1.66 121.76 130.85 1uls s ALA 34 Ca 0.03 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.41 1uls s ALA 34 Cb -0.14 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 1uls s ALA 34 CO -0.07 0.15 -0.21 0.00 0.00 0.00 0.00 175.76 175.63 1uls s ASP 36 N -0.41 -0.22 0.15 0.00 -1.08 -1.23 -0.61 116.67 113.27 1uls s ASP 36 Ca 0.06 -0.30 -0.08 0.00 -0.52 0.00 0.00 52.55 51.71 1uls s ASP 36 Cb -0.09 0.46 -0.01 0.00 -1.46 0.00 0.00 42.92 41.82 1uls s ASP 36 CO -0.00 -0.83 1.43 -0.29 0.52 0.00 0.00 175.17 176.00 1uls h ILE 37 N 2.00 1.30 -3.76 4.11 6.09 -1.95 -3.39 117.51 121.91 1uls h ILE 37 Ca -0.24 -1.84 -0.67 0.00 -1.37 0.00 0.00 64.86 60.75 1uls h ILE 37 Cb 1.23 1.79 -0.18 0.00 0.47 0.00 0.00 36.82 40.13 1uls h ILE 37 CO 0.27 0.58 -0.47 -1.61 -3.07 0.00 0.00 178.15 173.85 1uls s GLU 38 N -3.96 3.63 0.26 2.19 2.02 -1.26 -4.94 118.70 116.64 1uls s GLU 38 Ca -0.09 -0.53 -0.04 0.00 0.02 0.00 0.00 54.97 54.33 1uls s GLU 38 Cb 0.10 -3.77 0.33 0.00 0.10 0.00 0.00 34.13 30.90 1uls s GLU 38 CO 0.87 -0.38 1.93 1.49 0.02 0.00 0.00 175.26 179.19 1uls h GLU 39 N 8.45 1.24 0.00 1.61 4.81 -1.99 -2.28 114.58 126.42 1uls h GLU 39 Ca -0.32 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1uls h GLU 39 Cb 1.16 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1uls h GLU 39 CO 0.62 0.82 0.00 0.41 -0.73 0.00 0.00 179.01 180.12 1uls n GLY 40 N -1.38 -2.82 0.12 1.92 0.00 -1.26 -1.18 105.19 100.59 1uls n GLY 40 Ca 0.12 0.24 0.10 0.00 0.00 0.00 0.00 46.02 46.49 1uls n GLY 40 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uls n PRO 41 N -2.03 0.15 -0.02 1.61 -0.04 -1.24 -2.72 135.00 130.71 1uls n PRO 41 Ca 0.00 0.49 -0.13 0.00 -0.04 0.00 0.00 63.50 63.82 1uls n PRO 41 Cb 0.00 -1.85 -0.10 0.00 -0.04 0.00 0.00 33.50 31.50 1uls n PRO 41 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1uls h LEU 42 N 0.00 -0.03 -0.99 1.53 6.46 -1.05 -2.12 115.31 119.11 1uls h LEU 42 Ca 0.00 -0.63 0.01 0.00 -0.12 0.00 0.00 57.88 57.13 1uls h LEU 42 Cb 0.21 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 1uls h LEU 42 CO 0.00 0.65 0.65 0.03 -0.62 0.00 0.00 178.44 179.15 1uls h ARG 43 N -0.75 1.30 0.36 1.25 3.08 -0.98 -0.31 114.38 118.34 1uls h ARG 43 Ca -0.00 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1uls h ARG 43 Cb 0.67 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1uls h ARG 43 CO 0.01 0.86 -0.17 1.49 -1.07 0.00 0.00 179.97 181.09 1uls h GLU 44 N 1.34 -0.47 -0.75 0.04 4.81 -1.56 0.12 114.58 118.12 1uls h GLU 44 Ca 0.36 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.63 1uls h GLU 44 Cb -0.15 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1uls h GLU 44 CO -0.08 -0.27 0.49 0.00 -0.73 0.00 0.00 179.01 178.42 1uls h ALA 45 N 0.07 1.45 -0.05 2.92 0.00 -1.12 -1.97 119.26 120.56 1uls h ALA 45 Ca -0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1uls h ALA 45 Cb 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1uls h ALA 45 CO 0.08 0.50 -0.21 0.00 0.00 0.00 0.00 179.25 179.62 1uls h ALA 46 N 1.52 0.09 -0.97 0.00 0.00 -0.89 -3.30 119.26 115.70 1uls h ALA 46 Ca 0.27 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1uls h ALA 46 Cb -0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1uls h ALA 46 CO -0.06 0.07 0.63 0.93 0.00 0.00 0.00 179.25 180.82 1uls h GLU 47 N -0.32 1.29 0.00 0.00 5.08 -0.62 0.98 114.58 121.00 1uls h GLU 47 Ca -0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1uls h GLU 47 Cb 0.86 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1uls h GLU 47 CO 0.04 0.86 0.00 0.00 -1.00 0.00 0.00 179.01 178.92 1uls h ALA 48 N 1.35 1.00 0.00 3.43 0.00 -1.44 -2.71 119.26 120.89 1uls h ALA 48 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1uls h ALA 48 Cb -0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1uls h ALA 48 CO -0.07 0.00 0.00 1.55 0.00 0.00 0.00 179.25 180.73 1uls n VAL 49 N -2.30 0.00 -0.55 0.00 3.14 -0.59 -5.02 118.33 113.01 1uls n VAL 49 Ca -0.01 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 1uls n VAL 49 Cb 0.05 1.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.86 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 0.65 0.66 3.94 7.55 0.00 0.17 -4.96 105.19 113.20 1uls n GLY 50 Ca 0.00 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 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 3.58 -0.36 4.61 0.00 -0.22 -4.79 121.76 122.58 1uls s ALA 51 Ca 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1uls s ALA 51 Cb 0.00 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 1uls s ALA 51 CO 0.00 -0.45 0.31 -1.58 0.00 0.00 0.00 175.76 174.04 1uls s HIS 52 N -2.67 3.22 0.15 0.00 2.46 -0.64 -4.33 115.29 113.47 1uls s HIS 52 Ca 0.49 -0.23 -0.30 0.00 0.47 0.00 0.00 55.06 55.49 1uls s HIS 52 Cb -0.10 -2.61 -0.07 0.00 -0.13 0.00 0.00 32.58 29.67 1uls s HIS 52 CO 0.41 -0.46 1.09 -1.25 -2.47 0.00 0.00 174.74 172.06 1uls s PRO 53 N 1.86 4.58 -0.19 2.88 0.04 -1.26 -1.04 135.00 141.87 1uls s PRO 53 Ca 0.08 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 1uls s PRO 53 Cb -0.17 -3.31 0.08 0.00 0.04 0.00 0.00 34.50 31.14 1uls s PRO 53 CO 0.11 0.04 0.17 0.08 0.04 0.00 0.00 177.00 177.44 1uls s VAL 54 N 0.02 -0.23 0.98 -0.36 1.01 0.06 -4.92 120.40 116.96 1uls s VAL 54 Ca 0.50 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 1uls s VAL 54 Cb -0.28 -0.63 0.18 0.00 0.00 0.00 0.00 36.38 35.64 1uls s VAL 54 CO 0.33 -0.24 1.08 -0.69 0.00 0.00 0.00 175.10 175.59 1uls s VAL 55 N 2.25 2.35 -0.30 2.92 1.01 -1.26 -3.56 120.40 123.81 1uls s VAL 55 Ca 0.05 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1uls s VAL 55 Cb -0.16 -2.44 0.16 0.00 0.00 0.00 0.00 36.38 33.94 1uls s VAL 55 CO -0.11 -0.15 0.41 -0.62 0.00 0.00 0.00 175.10 174.63 1uls s ASP 57 N -3.11 0.43 0.29 3.32 -1.08 -1.26 -4.79 116.67 110.47 1uls s ASP 57 Ca 0.65 -0.46 0.19 0.00 -0.52 0.00 0.00 52.55 52.41 1uls s ASP 57 Cb -0.20 1.08 1.03 0.00 -1.46 0.00 0.00 42.92 43.37 1uls s ASP 57 CO 0.59 -0.35 1.57 1.33 0.52 0.00 0.00 175.17 178.83 1uls n VAL 58 N 5.29 1.08 1.17 1.11 0.24 -1.26 -0.28 118.33 125.68 1uls n VAL 58 Ca 0.01 0.72 0.13 0.00 -2.04 0.00 0.00 64.34 63.16 1uls n VAL 58 Cb 0.49 -1.72 0.42 0.00 -1.47 0.00 0.00 33.84 31.57 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 -1.73 3.06 -3.49 2.33 0.00 -1.26 -4.29 120.51 115.14 1uls n ALA 59 Ca -0.01 -0.31 -0.36 0.00 0.00 0.00 0.00 53.44 52.76 1uls n ALA 59 Cb 0.06 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.72 4.70 0.20 0.00 3.68 0.61 -4.96 116.67 118.18 1uls s ASP 60 Ca 0.20 -0.83 -0.11 0.00 2.13 0.00 0.00 52.55 53.93 1uls s ASP 60 Cb 0.19 -1.76 0.26 0.00 -1.45 0.00 0.00 42.92 40.16 1uls s ASP 60 CO 0.57 -0.16 1.69 -0.65 0.13 0.00 0.00 175.17 176.74 1uls h PRO 61 N 8.10 0.17 -0.44 4.34 0.11 -1.85 -0.24 132.00 142.19 1uls h PRO 61 Ca -0.31 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.68 1uls h PRO 61 Cb 1.11 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1uls h PRO 61 CO 0.58 0.11 -0.16 0.00 -0.21 0.00 0.00 178.00 178.32 1uls h ALA 62 N 1.49 0.87 -0.36 -0.75 0.00 -1.95 -1.64 119.26 116.92 1uls h ALA 62 Ca 0.30 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1uls h ALA 62 Cb 0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1uls h ALA 62 CO -0.44 0.64 0.12 1.03 0.00 0.00 0.00 179.25 180.60 1uls h SER 63 N 0.75 0.52 -0.68 0.00 0.87 -1.60 -0.71 113.55 112.69 1uls h SER 63 Ca 0.11 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1uls h SER 63 Cb 0.68 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1uls h SER 63 CO 0.05 0.57 0.36 0.58 -0.53 0.00 0.00 176.83 177.86 1uls h VAL 64 N 0.44 1.22 0.01 2.23 2.07 -0.94 -1.07 116.25 120.20 1uls h VAL 64 Ca 0.12 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1uls h VAL 64 Cb 0.23 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1uls h VAL 64 CO -0.01 0.24 -0.01 -0.08 0.02 0.00 0.00 177.57 177.74 1uls h GLU 65 N 0.93 -0.02 -0.71 1.57 4.81 -1.03 -1.93 114.58 118.21 1uls h GLU 65 Ca 0.24 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1uls h GLU 65 Cb 0.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1uls h GLU 65 CO -0.04 0.09 0.39 0.00 -0.73 0.00 0.00 179.01 178.72 1uls h ARG 66 N -0.12 0.99 -0.46 1.92 3.08 -1.03 -2.30 114.38 116.47 1uls h ARG 66 Ca -0.00 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.00 1uls h ARG 66 Cb 0.11 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 29.91 1uls h ARG 66 CO 0.00 0.74 0.09 0.78 -1.07 0.00 0.00 179.97 180.52 1uls h GLY 67 N 0.98 0.55 2.00 0.04 0.00 -0.96 -0.78 103.07 104.89 1uls h GLY 67 Ca 0.25 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.49 1uls h GLY 67 CO -0.04 -0.05 -0.31 0.74 0.00 0.00 0.00 176.54 176.88 1uls h PHE 68 N 0.23 0.00 -0.29 5.60 -1.00 -1.11 -0.52 116.94 119.84 1uls h PHE 68 Ca 0.22 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.84 1uls h PHE 68 Cb 0.28 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 1uls h PHE 68 CO -0.21 0.31 -0.47 0.00 -1.61 0.00 0.00 178.31 176.32 1uls h ALA 69 N 1.69 0.45 -0.11 2.45 0.00 -0.77 -0.44 119.26 122.54 1uls h ALA 69 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1uls h ALA 69 Cb 0.77 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1uls h ALA 69 CO 0.04 0.61 -0.02 0.93 0.00 0.00 0.00 179.25 180.82 1uls h GLU 70 N 0.61 0.20 -0.47 0.00 5.08 -0.91 -0.09 114.58 118.99 1uls h GLU 70 Ca 0.02 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1uls h GLU 70 Cb 1.08 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.24 1uls h GLU 70 CO 0.11 0.49 0.07 0.00 -1.00 0.00 0.00 179.01 178.68 1uls h ALA 71 N 0.70 0.50 -0.41 3.43 0.00 -1.06 0.46 119.26 122.89 1uls h ALA 71 Ca 0.03 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1uls h ALA 71 Cb 0.41 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1uls h ALA 71 CO 0.01 -0.33 -0.23 -0.07 0.00 0.00 0.00 179.25 178.63 1uls h LEU 72 N 0.20 0.84 -0.93 0.00 -0.00 -0.99 0.67 115.31 115.11 1uls h LEU 72 Ca 0.24 -0.31 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1uls h LEU 72 Cb 0.32 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 40.71 1uls h LEU 72 CO -0.33 1.04 0.51 0.00 -0.00 0.00 0.00 178.44 179.66 1uls h ALA 73 N 1.03 1.18 0.15 1.53 0.00 -0.22 1.04 119.26 123.97 1uls h ALA 73 Ca 0.10 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1uls h ALA 73 Cb 0.75 -0.37 0.03 0.00 0.00 0.00 0.00 17.79 18.21 1uls h ALA 73 CO 0.06 0.67 -1.08 1.25 0.00 0.00 0.00 179.25 180.15 1uls h HIS 74 N 1.28 0.79 0.16 0.00 -0.00 -0.59 -3.38 115.15 113.41 1uls h HIS 74 Ca 0.32 -0.54 -0.34 0.00 -0.00 0.00 0.00 60.37 59.82 1uls h HIS 74 Cb 0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 1uls h HIS 74 CO 0.01 1.40 -1.69 -0.07 -0.00 0.00 0.00 177.93 177.58 1uls h LEU 75 N -0.04 0.51 0.00 0.26 3.38 0.47 -3.48 115.31 116.41 1uls h LEU 75 Ca -0.18 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.02 1uls h LEU 75 Cb 1.82 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1uls h LEU 75 CO 0.20 1.65 0.00 0.61 0.09 0.00 0.00 178.44 181.00 1uls n GLY 76 N 1.79 2.68 3.59 0.83 0.00 0.36 -4.93 105.19 109.52 1uls n GLY 76 Ca -0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.29 1.24 -0.07 1.61 1.70 -1.26 -5.02 118.95 116.86 1uls s ARG 77 Ca 0.00 -0.57 0.01 0.00 -0.47 0.00 0.00 55.73 54.71 1uls s ARG 77 Cb 0.00 0.50 0.02 0.00 -0.57 0.00 0.00 34.95 34.90 1uls s ARG 77 CO 0.00 -0.56 -0.09 -1.17 -1.08 0.00 0.00 175.30 172.40 1uls s LEU 78 N -2.75 1.44 -0.02 -1.89 0.20 -1.26 -4.78 118.68 109.62 1uls s LEU 78 Ca 0.06 -0.25 0.14 0.00 0.69 0.00 0.00 54.13 54.77 1uls s LEU 78 Cb -0.02 -0.73 -0.21 0.00 -0.43 0.00 0.00 46.19 44.80 1uls s LEU 78 CO -0.05 -0.03 0.30 0.47 -0.29 0.00 0.00 176.35 176.75 1uls n ASP 79 N 4.15 1.89 -3.60 3.68 8.00 0.16 -4.91 116.55 125.90 1uls n ASP 79 Ca -0.21 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.27 1uls n ASP 79 Cb 0.51 1.61 -0.01 0.00 -0.02 0.00 0.00 41.12 43.21 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 -3.58 -0.34 -0.08 0.44 0.00 -1.04 -1.91 107.32 100.81 1uls s GLY 80 Ca -0.05 1.17 -0.08 0.00 0.00 0.00 0.00 44.72 45.75 1uls s GLY 80 CO 0.57 0.35 0.23 0.14 0.00 0.00 0.00 173.10 174.38 1uls s VAL 81 N -2.54 0.01 -0.20 1.40 1.01 -0.77 -2.19 120.40 117.12 1uls s VAL 81 Ca 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1uls s VAL 81 Cb 0.01 -0.35 0.04 0.00 0.00 0.00 0.00 36.38 36.07 1uls s VAL 81 CO -0.04 -0.04 -0.13 -0.69 0.00 0.00 0.00 175.10 174.19 1uls s VAL 82 N -0.07 1.84 -0.23 2.92 1.01 -0.57 -0.87 120.40 124.43 1uls s VAL 82 Ca -0.02 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 1uls s VAL 82 Cb -0.02 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1uls s VAL 82 CO 0.01 0.26 0.11 -2.28 0.00 0.00 0.00 175.10 173.20 1uls s HIS 83 N 1.32 3.23 0.03 5.22 2.46 0.30 -1.66 115.29 126.20 1uls s HIS 83 Ca -0.00 0.02 -0.01 0.00 0.47 0.00 0.00 55.06 55.53 1uls s HIS 83 Cb -0.16 -2.21 -0.00 0.00 -0.13 0.00 0.00 32.58 30.07 1uls s HIS 83 CO -0.09 -0.03 -0.03 0.66 -2.47 0.00 0.00 174.74 172.78 1uls n TYR 84 N 4.28 0.00 0.00 3.88 0.53 -1.25 -1.80 117.16 122.81 1uls n TYR 84 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.72 1uls n TYR 84 Cb 0.52 -0.04 0.00 0.00 -1.03 0.00 0.00 39.34 38.79 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 -3.15 0.00 -2.85 -0.72 0.00 -1.26 -4.84 120.51 107.69 1uls n ALA 85 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1uls n ALA 85 Cb 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 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 0.72 0.14 0.00 0.00 -1.26 -4.75 107.32 102.17 1uls s GLY 86 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 44.72 43.55 1uls s GLY 86 CO 0.00 -0.85 0.30 -0.26 0.00 0.00 0.00 173.10 172.30 1uls s ILE 87 N -4.04 0.09 0.17 0.90 -4.36 -1.26 -5.06 121.20 107.64 1uls s ILE 87 Ca 0.25 -1.10 0.08 0.00 -0.26 0.00 0.00 60.65 59.61 1uls s ILE 87 Cb 0.02 -1.53 -0.04 0.00 1.25 0.00 0.00 42.46 42.16 1uls s ILE 87 CO 0.07 -0.39 -0.16 0.42 0.24 0.00 0.00 174.94 175.12 1uls s THR 88 N -3.89 1.67 -0.44 8.37 -4.23 -1.26 -4.91 115.64 110.95 1uls s THR 88 Ca 0.10 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 58.71 1uls s THR 88 Cb 0.03 -1.84 0.27 0.00 1.34 0.00 0.00 72.50 72.30 1uls s THR 88 CO -0.06 -0.44 0.76 0.54 -0.54 0.00 0.00 174.62 174.88 1uls n ARG 89 N 0.11 0.81 -1.34 3.99 3.00 -1.26 -5.06 116.66 116.92 1uls n ARG 89 Ca -0.12 -2.49 -0.35 0.00 -0.01 0.00 0.00 57.85 54.88 1uls n ARG 89 Cb 0.58 -1.35 0.10 0.00 0.00 0.00 0.00 32.46 31.79 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 1.24 1.05 0.00 0.55 8.00 -1.26 -4.93 116.55 121.20 1uls n ASP 90 Ca 0.15 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.32 1uls n ASP 90 Cb 0.61 -1.48 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 -2.37 0.00 -4.76 -2.24 3.02 0.53 -5.03 115.26 104.41 1uls n ASN 91 Ca 0.14 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.33 1uls n ASN 91 Cb 0.49 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.69 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 -1.23 2.52 0.43 3.10 0.40 -1.26 -4.15 117.98 117.79 1uls s PHE 92 Ca 0.00 1.51 0.18 0.00 -0.60 0.00 0.00 56.93 58.01 1uls s PHE 92 Cb 0.00 -3.46 1.09 0.00 0.51 0.00 0.00 43.02 41.16 1uls s PHE 92 CO 0.00 -2.04 1.87 1.12 0.70 0.00 0.00 175.22 176.87 1uls h HIS 93 N 1.24 0.50 0.00 0.36 2.07 -2.00 -0.02 115.15 117.30 1uls h HIS 93 Ca -0.50 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 1uls h HIS 93 Cb 1.28 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 31.11 1uls h HIS 93 CO 0.49 0.15 0.00 0.11 -3.07 0.00 0.00 177.93 175.60 1uls h TRP 94 N 0.39 0.00 -3.48 6.12 5.08 -2.04 -3.45 115.95 118.57 1uls h TRP 94 Ca 0.44 0.00 -0.69 0.00 1.08 0.00 0.00 58.89 59.72 1uls h TRP 94 Cb 1.11 0.00 -0.36 0.00 -3.00 0.00 0.00 29.16 26.91 1uls h TRP 94 CO -0.00 0.00 -0.31 0.15 -1.28 0.00 0.00 178.44 177.00 1uls s LYS 95 N -3.76 2.73 -0.06 0.12 1.02 -0.02 -5.18 119.74 114.59 1uls s LYS 95 Ca -0.00 -2.76 -0.08 0.00 0.02 0.00 0.00 55.97 53.15 1uls s LYS 95 Cb 0.10 -3.77 0.02 0.00 -0.52 0.00 0.00 37.83 33.66 1uls s LYS 95 CO 0.49 -1.20 0.19 -1.25 -0.92 0.00 0.00 175.35 172.67 1uls s PRO 97 N -0.46 0.31 0.23 -1.68 0.04 -1.26 -4.85 135.00 127.33 1uls s PRO 97 Ca 0.20 0.11 -0.12 0.00 0.04 0.00 0.00 61.00 61.23 1uls s PRO 97 Cb -0.17 0.14 0.30 0.00 0.04 0.00 0.00 34.50 34.82 1uls s PRO 97 CO -0.06 -0.05 1.62 1.25 0.04 0.00 0.00 177.00 179.79 1uls h LEU 98 N 5.39 -0.62 -1.18 -3.56 6.46 -1.99 0.68 115.31 120.50 1uls h LEU 98 Ca -0.27 0.21 0.19 0.00 -0.12 0.00 0.00 57.88 57.90 1uls h LEU 98 Cb 1.19 0.42 -0.09 0.00 -0.73 0.00 0.00 40.66 41.46 1uls h LEU 98 CO 0.39 -0.23 0.61 1.05 -0.62 0.00 0.00 178.44 179.64 1uls h GLU 99 N 0.01 0.63 -0.08 1.25 4.11 -2.04 0.45 114.58 118.92 1uls h GLU 99 Ca 0.35 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.61 1uls h GLU 99 Cb 0.54 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1uls h GLU 99 CO -0.72 0.42 -0.50 -0.44 0.07 0.00 0.00 179.01 177.84 1uls h ASP 100 N 0.65 0.23 -0.07 3.06 5.19 -1.28 -0.62 116.42 123.57 1uls h ASP 100 Ca 0.54 -0.11 -0.05 0.00 -0.62 0.00 0.00 57.03 56.80 1uls h ASP 100 Cb 0.99 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.44 1uls h ASP 100 CO -0.31 0.70 -0.14 -0.25 -3.12 0.00 0.00 179.24 176.12 1uls h TRP 101 N 0.17 0.28 0.00 4.55 2.91 -0.02 -3.12 115.95 120.72 1uls h TRP 101 Ca 0.01 -0.10 -0.07 0.00 1.13 0.00 0.00 58.89 59.86 1uls h TRP 101 Cb 0.95 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.54 1uls h TRP 101 CO 0.02 0.73 -0.31 0.93 -1.03 0.00 0.00 178.44 178.78 1uls h GLU 102 N -0.26 0.00 -0.18 2.65 5.08 -0.21 -3.00 114.58 118.66 1uls h GLU 102 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1uls h GLU 102 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1uls h GLU 102 CO 0.03 0.31 -0.44 1.25 -1.00 0.00 0.00 179.01 179.16 1uls h LEU 103 N 0.00 0.71 -0.83 1.33 5.85 -1.15 -1.55 115.31 119.67 1uls h LEU 103 Ca -0.00 -0.57 -0.12 0.00 0.84 0.00 0.00 57.88 58.03 1uls h LEU 103 Cb 0.70 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1uls h LEU 103 CO 0.04 1.15 -0.43 -0.37 -0.34 0.00 0.00 178.44 178.49 1uls h VAL 104 N 0.30 1.31 -0.08 1.05 -1.51 -1.53 -0.91 116.25 114.89 1uls h VAL 104 Ca -0.00 -1.59 -0.03 0.00 -1.23 0.00 0.00 66.70 63.85 1uls h VAL 104 Cb 1.05 1.68 -0.00 0.00 -2.13 0.00 0.00 31.29 31.89 1uls h VAL 104 CO 0.10 0.48 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.77 1uls h LEU 105 N 0.28 0.21 -0.28 4.19 3.38 -1.55 0.24 115.31 121.79 1uls h LEU 105 Ca 0.02 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.56 1uls h LEU 105 Cb 0.87 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1uls h LEU 105 CO 0.07 0.65 -0.00 -0.09 0.09 0.00 0.00 178.44 179.15 1uls h ARG 106 N -0.23 0.07 -0.01 1.13 2.43 -1.16 0.33 114.38 116.95 1uls h ARG 106 Ca 0.01 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1uls h ARG 106 Cb 0.59 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1uls h ARG 106 CO 0.02 0.05 -0.07 0.28 -1.51 0.00 0.00 179.97 178.74 1uls h VAL 107 N 0.08 1.56 0.10 0.20 2.07 -1.19 -1.21 116.25 117.87 1uls h VAL 107 Ca 0.13 -1.76 -0.14 0.00 0.82 0.00 0.00 66.70 65.76 1uls h VAL 107 Cb 0.17 2.72 0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1uls h VAL 107 CO -0.23 0.46 -0.61 0.78 0.02 0.00 0.00 177.57 178.00 1uls h ASN 108 N -0.64 0.35 0.00 0.57 2.35 -0.49 -2.93 115.58 114.79 1uls h ASN 108 Ca -0.01 -0.97 -0.04 0.00 -0.55 0.00 0.00 56.30 54.74 1uls h ASN 108 Cb 0.80 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 1uls h ASN 108 CO 0.01 1.29 -0.30 0.25 -1.65 0.00 0.00 177.43 177.04 1uls h LEU 109 N -0.53 0.00 -0.75 1.61 5.85 -0.50 -3.15 115.31 117.84 1uls h LEU 109 Ca -0.11 -0.41 -0.12 0.00 0.84 0.00 0.00 57.88 58.09 1uls h LEU 109 Cb 1.48 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1uls h LEU 109 CO 0.11 0.87 -0.29 0.74 -0.34 0.00 0.00 178.44 179.53 1uls h THR 110 N -1.00 1.28 -0.68 1.05 2.02 -1.10 -2.45 112.91 112.03 1uls h THR 110 Ca -0.06 -1.40 0.07 0.00 0.77 0.00 0.00 66.41 65.80 1uls h THR 110 Cb 0.63 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 68.35 1uls h THR 110 CO -0.04 0.45 0.36 1.23 0.37 0.00 0.00 175.52 177.89 1uls h GLY 111 N 1.01 1.00 1.06 2.16 0.00 -1.01 0.36 103.07 107.65 1uls h GLY 111 Ca 0.07 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 1uls h GLY 111 CO 0.06 0.11 0.01 1.76 0.00 0.00 0.00 176.54 178.49 1uls h SER 112 N 0.64 1.00 -0.63 0.19 0.02 -1.47 -1.47 113.55 111.82 1uls h SER 112 Ca 0.32 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1uls h SER 112 Cb 0.26 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1uls h SER 112 CO -0.22 1.06 0.42 0.15 -1.14 0.00 0.00 176.83 177.09 1uls h PHE 113 N 0.91 0.79 -0.23 3.45 3.57 -0.82 0.21 116.94 124.82 1uls h PHE 113 Ca 0.17 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1uls h PHE 113 Cb 0.54 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1uls h PHE 113 CO 0.04 0.49 0.05 -0.07 -2.23 0.00 0.00 178.31 176.59 1uls h LEU 114 N 0.85 0.36 -0.43 0.59 3.38 -0.74 -0.03 115.31 119.29 1uls h LEU 114 Ca 0.23 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1uls h LEU 114 Cb -0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1uls h LEU 114 CO -0.06 0.50 -0.18 0.58 0.09 0.00 0.00 178.44 179.38 1uls h VAL 115 N 0.20 1.28 -0.30 1.22 2.07 -1.05 -1.47 116.25 118.19 1uls h VAL 115 Ca 0.07 -1.32 -0.11 0.00 0.82 0.00 0.00 66.70 66.17 1uls h VAL 115 Cb 0.28 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1uls h VAL 115 CO 0.00 0.45 -0.26 0.00 0.02 0.00 0.00 177.57 177.78 1uls h ALA 116 N 0.84 1.00 -0.45 1.67 0.00 -0.55 -0.51 119.26 121.26 1uls h ALA 116 Ca 0.10 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1uls h ALA 116 Cb 0.73 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1uls h ALA 116 CO 0.06 0.59 0.01 -0.22 0.00 0.00 0.00 179.25 179.69 1uls h LYS 117 N 0.52 0.79 -0.44 0.00 3.64 -0.86 0.11 116.57 120.33 1uls h LYS 117 Ca 0.07 -0.25 -0.14 0.00 -1.27 0.00 0.00 60.65 59.06 1uls h LYS 117 Cb 0.71 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1uls h LYS 117 CO 0.05 0.85 -0.28 0.00 -2.27 0.00 0.00 179.45 177.80 1uls h ALA 118 N 0.91 0.67 -0.53 5.00 0.00 -1.14 -1.48 119.26 122.69 1uls h ALA 118 Ca 0.13 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1uls h ALA 118 Cb 0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1uls h ALA 118 CO 0.02 0.67 0.21 0.00 0.00 0.00 0.00 179.25 180.16 1uls h ALA 119 N 0.86 0.69 -0.23 0.00 0.00 -0.84 -2.18 119.26 117.56 1uls h ALA 119 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1uls h ALA 119 Cb 0.86 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1uls h ALA 119 CO 0.08 0.30 0.10 1.03 0.00 0.00 0.00 179.25 180.75 1uls h SER 120 N 0.72 0.32 -0.83 0.00 0.87 -0.68 -2.83 113.55 111.11 1uls h SER 120 Ca 0.18 -0.16 0.10 0.00 -1.23 0.00 0.00 61.79 60.68 1uls h SER 120 Cb 0.19 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 1uls h SER 120 CO -0.01 0.39 0.54 -0.08 -0.53 0.00 0.00 176.83 177.13 1uls h GLU 121 N 0.23 0.77 -0.21 2.24 4.22 -1.10 0.48 114.58 121.20 1uls h GLU 121 Ca 0.08 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1uls h GLU 121 Cb 0.16 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1uls h GLU 121 CO -0.01 0.51 0.00 0.00 -2.18 0.00 0.00 179.01 177.33 1uls n ALA 122 N -2.43 2.14 -0.89 2.92 0.00 -0.84 -4.99 120.51 116.43 1uls n ALA 122 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1uls n ALA 122 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.30 0.00 -0.81 0.00 0.63 0.17 -4.57 116.66 111.77 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 0.05 -0.30 0.00 0.00 0.45 0.00 0.00 32.46 32.67 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 0.91 0.00 -0.10 -0.14 1.02 -1.26 -4.78 120.64 116.29 1uls n GLU 125 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 1uls n GLU 125 Cb 0.00 -2.91 -0.08 0.00 -0.02 0.00 0.00 31.44 28.43 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 -2.00 0.46 -3.55 3.49 4.01 -1.26 -5.09 118.16 114.22 1uls n LYS 126 Ca 0.00 0.15 -0.07 0.00 -0.51 0.00 0.00 58.31 57.88 1uls n LYS 126 Cb 0.00 -1.32 -0.03 0.00 -0.51 0.00 0.00 35.03 33.17 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 -6.30 -0.27 0.74 4.39 4.22 -1.26 -5.16 114.94 111.31 1uls s ASN 127 Ca -0.27 0.06 -0.11 0.00 -2.14 0.00 0.00 52.86 50.40 1uls s ASN 127 Cb 0.09 0.27 0.04 0.00 1.28 0.00 0.00 41.25 42.93 1uls s ASN 127 CO 0.41 -0.42 1.08 -2.16 -2.04 0.00 0.00 177.10 173.98 1uls s PRO 128 N -2.50 2.48 0.07 3.55 0.04 -1.26 -4.55 135.00 132.84 1uls s PRO 128 Ca 0.06 1.14 -0.09 0.00 0.04 0.00 0.00 61.00 62.14 1uls s PRO 128 Cb -0.01 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1uls s PRO 128 CO -0.06 -1.47 0.45 0.41 0.04 0.00 0.00 177.00 176.37 1uls n GLY 129 N -1.33 0.97 2.84 0.56 0.00 -0.69 -4.86 105.19 102.67 1uls n GLY 129 Ca 0.09 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.06 0.27 -0.16 1.61 0.15 -0.81 -0.64 113.70 112.07 1uls s SER 130 Ca 0.10 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.75 1uls s SER 130 Cb -0.01 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.20 1uls s SER 130 CO 0.02 -0.06 -0.20 -0.63 1.20 0.00 0.00 173.24 173.57 1uls s ILE 131 N 0.64 2.00 -0.27 6.45 1.01 0.17 -1.85 121.20 129.34 1uls s ILE 131 Ca -0.06 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 1uls s ILE 131 Cb -0.09 -1.80 0.03 0.00 0.01 0.00 0.00 42.46 40.62 1uls s ILE 131 CO -0.01 0.53 -0.03 -0.69 0.00 0.00 0.00 174.94 174.74 1uls s VAL 132 N 1.11 2.99 -0.11 2.92 1.01 -0.05 -0.90 120.40 127.37 1uls s VAL 132 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 1uls s VAL 132 Cb -0.14 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1uls s VAL 132 CO -0.08 0.07 0.04 -0.76 0.00 0.00 0.00 175.10 174.37 1uls s LEU 133 N 1.31 3.81 -0.29 3.92 1.43 -0.54 -0.54 118.68 127.78 1uls s LEU 133 Ca -0.02 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 1uls s LEU 133 Cb -0.18 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1uls s LEU 133 CO -0.03 0.34 0.28 -0.89 0.23 0.00 0.00 176.35 176.29 1uls s THR 134 N -0.65 5.24 0.00 5.49 2.01 -0.74 -1.45 115.64 125.53 1uls s THR 134 Ca 0.11 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1uls s THR 134 Cb -0.12 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1uls s THR 134 CO 0.02 0.16 0.00 0.00 -0.69 0.00 0.00 174.62 174.11 1uls n ALA 135 N 5.21 0.00 0.00 7.40 0.00 0.19 -4.93 120.51 128.38 1uls n ALA 135 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1uls n ALA 135 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1uls n ALA 135 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uls n SER 136 N 0.00 0.00 0.10 0.00 2.88 -1.25 -4.56 113.62 110.80 1uls n SER 136 Ca 0.00 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.73 1uls n SER 136 Cb 0.00 0.00 0.75 0.00 -0.75 0.00 0.00 64.21 64.21 1uls n SER 136 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1uls h ARG 137 N 0.00 0.00 0.00 -1.46 1.12 -1.46 0.18 114.38 112.76 1uls h ARG 137 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1uls h ARG 137 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1uls h ARG 137 CO 0.00 0.00 0.00 0.28 -3.11 0.00 0.00 179.97 177.14 1uls n VAL 138 N -3.98 1.31 0.27 0.20 0.31 -1.26 -2.41 118.33 112.78 1uls n VAL 138 Ca 0.06 0.33 0.17 0.00 -0.01 0.00 0.00 64.34 64.89 1uls n VAL 138 Cb 0.51 -1.18 0.87 0.00 -0.91 0.00 0.00 33.84 33.12 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 -0.18 3.52 -0.00 -1.17 0.20 116.97 119.33 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 0.14 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.87 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 -2.70 1.47 0.00 0.10 4.77 -1.01 -4.52 117.00 115.11 1uls n LEU 140 Ca -0.02 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1uls n LEU 140 Cb 0.09 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1uls n LEU 140 CO 0.17 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1uls n GLY 141 N 1.05 2.20 3.63 -0.72 0.00 0.71 -5.14 105.19 106.92 1uls n GLY 141 Ca 0.14 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.76 0.21 1.61 2.47 -1.26 -4.85 114.94 112.36 1uls s ASN 142 Ca 0.00 1.45 -0.32 0.00 0.42 0.00 0.00 52.86 54.41 1uls s ASN 142 Cb 0.00 1.46 -0.14 0.00 -1.45 0.00 0.00 41.25 41.12 1uls s ASN 142 CO 0.00 -0.25 1.36 0.18 -3.72 0.00 0.00 177.10 174.67 1uls n LEU 143 N 2.82 2.65 -0.22 3.21 4.77 -1.26 -1.89 117.00 127.08 1uls n LEU 143 Ca -0.14 1.14 -0.03 0.00 -0.03 0.00 0.00 56.01 56.94 1uls n LEU 143 Cb 0.55 -1.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.27 1uls n LEU 143 CO 0.03 -0.70 -0.03 0.61 -1.33 0.00 0.00 177.39 175.97 1uls n GLY 144 N 2.25 0.52 2.21 -0.72 0.00 -1.26 -4.90 105.19 103.29 1uls n GLY 144 Ca 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.55 1.84 -0.23 1.61 6.02 -0.79 -0.35 117.38 123.92 1uls n GLN 145 Ca -0.03 -3.37 0.03 0.00 -0.01 0.00 0.00 57.00 53.62 1uls n GLN 145 Cb 0.27 -1.47 0.13 0.00 1.02 0.00 0.00 30.24 30.19 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 2.08 0.70 -0.34 -1.58 0.00 -1.80 0.46 119.26 118.78 1uls h ALA 146 Ca -0.03 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1uls h ALA 146 Cb 1.43 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1uls h ALA 146 CO 0.28 -0.40 -0.01 -2.95 0.00 0.00 0.00 179.25 176.17 1uls h ASN 147 N 0.11 0.60 -0.36 0.00 -1.07 -1.91 -1.25 115.58 111.69 1uls h ASN 147 Ca 0.37 -0.32 -0.09 0.00 0.07 0.00 0.00 56.30 56.34 1uls h ASN 147 Cb 0.62 -0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 36.70 1uls h ASN 147 CO -0.60 0.77 -0.11 0.22 0.07 0.00 0.00 177.43 177.77 1uls h TYR 148 N 0.41 0.81 -0.32 4.14 3.20 -1.69 -1.36 116.97 122.16 1uls h TYR 148 Ca 0.09 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1uls h TYR 148 Cb 0.47 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1uls h TYR 148 CO 0.04 0.88 0.17 0.00 -1.64 0.00 0.00 178.16 177.61 1uls h ALA 149 N 0.81 0.40 -0.51 1.82 0.00 -0.08 -3.00 119.26 118.70 1uls h ALA 149 Ca 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1uls h ALA 149 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1uls h ALA 149 CO 0.04 -0.06 0.16 0.00 0.00 0.00 0.00 179.25 179.39 1uls h ALA 150 N 1.04 0.67 0.00 0.00 0.00 -1.19 0.18 119.26 119.95 1uls h ALA 150 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1uls h ALA 150 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1uls h ALA 150 CO -0.02 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 1uls n SER 151 N -4.49 0.18 0.00 0.00 3.41 -0.52 -1.14 113.62 111.06 1uls n SER 151 Ca 0.02 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1uls n SER 151 Cb 0.19 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.11 7.33 0.00 0.05 -1.92 120.51 126.52 1uls n ALA 153 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1uls n ALA 153 Cb 0.04 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.79 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 0.24 1.44 0.00 0.00 -1.37 -2.24 103.07 101.13 1uls h GLY 154 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1uls h GLY 154 CO 0.00 0.18 -0.33 -2.08 0.00 0.00 0.00 176.54 174.31 1uls h VAL 155 N 0.20 1.28 -0.69 4.60 2.07 -1.65 0.42 116.25 122.48 1uls h VAL 155 Ca 0.03 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.03 1uls h VAL 155 Cb 0.62 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1uls h VAL 155 CO 0.04 0.47 0.17 0.58 0.02 0.00 0.00 177.57 178.85 1uls h VAL 156 N 0.54 1.26 -0.17 2.57 2.07 -1.75 0.18 116.25 120.94 1uls h VAL 156 Ca 0.06 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.51 1uls h VAL 156 Cb 0.82 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1uls h VAL 156 CO 0.07 0.37 -0.38 1.23 0.02 0.00 0.00 177.57 178.87 1uls h GLY 157 N 1.04 0.41 0.62 2.17 0.00 -1.12 -1.92 103.07 104.26 1uls h GLY 157 Ca 0.22 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1uls h GLY 157 CO 0.00 0.35 -0.01 -2.00 0.00 0.00 0.00 176.54 174.88 1uls h LEU 158 N 0.32 -0.02 -0.49 3.11 5.85 -0.38 -2.27 115.31 121.43 1uls h LEU 158 Ca 0.03 -0.37 0.09 0.00 0.84 0.00 0.00 57.88 58.47 1uls h LEU 158 Cb 0.82 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 1uls h LEU 158 CO 0.07 0.36 0.07 0.74 -0.34 0.00 0.00 178.44 179.34 1uls h THR 159 N -0.41 0.70 -0.73 1.05 2.02 -0.56 0.99 112.91 115.97 1uls h THR 159 Ca -0.00 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1uls h THR 159 Cb 0.39 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1uls h THR 159 CO 0.00 0.04 0.32 0.03 0.37 0.00 0.00 175.52 176.28 1uls h ARG 160 N 0.20 1.06 -0.06 6.66 3.08 -1.32 -0.11 114.38 123.88 1uls h ARG 160 Ca 0.24 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1uls h ARG 160 Cb 0.34 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1uls h ARG 160 CO -0.34 0.84 0.00 1.15 -1.07 0.00 0.00 179.97 180.54 1uls h THR 161 N 1.04 1.25 -0.80 2.04 2.02 -0.72 -2.53 112.91 115.21 1uls h THR 161 Ca 0.25 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1uls h THR 161 Cb 0.15 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 1uls h THR 161 CO -0.03 0.21 0.51 -0.07 0.37 0.00 0.00 175.52 176.51 1uls h LEU 162 N -0.18 0.85 -0.79 2.58 4.07 -0.59 -1.58 115.31 119.68 1uls h LEU 162 Ca 0.02 -0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.02 1uls h LEU 162 Cb 0.33 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.82 1uls h LEU 162 CO 0.00 0.59 0.49 0.00 -1.08 0.00 0.00 178.44 178.44 1uls h ALA 163 N 1.33 1.05 -0.57 1.53 0.00 -0.92 0.13 119.26 121.81 1uls h ALA 163 Ca 0.32 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1uls h ALA 163 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1uls h ALA 163 CO -0.11 0.26 0.03 -0.07 0.00 0.00 0.00 179.25 179.36 1uls h LEU 164 N 0.92 0.94 -0.21 0.00 3.38 -0.93 -1.89 115.31 117.52 1uls h LEU 164 Ca 0.33 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 1uls h LEU 164 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1uls h LEU 164 CO -0.14 0.98 -0.93 -0.33 0.09 0.00 0.00 178.44 178.11 1uls h GLU 165 N 0.90 0.13 -0.01 1.13 5.08 -0.43 -3.34 114.58 118.03 1uls h GLU 165 Ca 0.17 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1uls h GLU 165 Cb 0.49 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1uls h GLU 165 CO 0.02 0.96 -0.61 1.28 -1.00 0.00 0.00 179.01 179.66 1uls n LEU 166 N -3.58 1.55 -0.25 1.33 4.77 0.36 -4.52 117.00 116.68 1uls n LEU 166 Ca -0.03 -0.60 0.04 0.00 -0.03 0.00 0.00 56.01 55.40 1uls n LEU 166 Cb 0.85 -0.02 0.17 0.00 -2.33 0.00 0.00 43.42 42.09 1uls n LEU 166 CO 0.48 0.31 1.00 1.23 -1.33 0.00 0.00 177.39 179.08 1uls h GLY 167 N 4.91 1.08 2.00 -0.72 0.00 -1.43 0.15 103.07 109.06 1uls h GLY 167 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1uls h GLY 167 CO 0.00 -0.09 0.00 0.07 0.00 0.00 0.00 176.54 176.52 1uls h ARG 168 N 0.42 0.00 -0.65 4.80 0.11 -1.84 -1.58 114.38 115.64 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 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1uls h ARG 168 CO -0.40 0.00 0.00 0.91 0.10 0.00 0.00 179.97 180.58 1uls n TRP 169 N -2.94 1.34 -1.42 4.08 7.02 0.00 -4.91 117.44 120.61 1uls n TRP 169 Ca -0.01 -0.54 -0.13 0.00 -1.02 0.00 0.00 57.50 55.80 1uls n TRP 169 Cb 0.17 -0.21 -0.05 0.00 -2.42 0.00 0.00 31.31 28.80 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 1.14 1.31 3.40 6.99 0.00 -0.59 -4.27 105.19 113.16 1uls n GLY 170 Ca 0.24 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.49 4.10 0.10 -0.61 1.01 -0.97 -1.71 121.20 120.63 1uls s ILE 171 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 1uls s ILE 171 Cb 0.00 -2.97 -0.06 0.00 0.01 0.00 0.00 42.46 39.44 1uls s ILE 171 CO 0.00 0.27 0.44 -0.13 0.00 0.00 0.00 174.94 175.52 1uls s ARG 172 N 1.57 3.81 -0.10 2.79 0.52 0.19 -3.76 118.95 123.96 1uls s ARG 172 Ca 0.05 0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 55.50 1uls s ARG 172 Cb -0.16 -2.96 0.03 0.00 0.52 0.00 0.00 34.95 32.38 1uls s ARG 172 CO 0.02 0.53 -0.03 0.08 0.02 0.00 0.00 175.30 175.92 1uls s VAL 173 N -1.44 0.70 0.08 3.52 1.01 -1.26 0.45 120.40 123.46 1uls s VAL 173 Ca 0.35 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1uls s VAL 173 Cb -0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1uls s VAL 173 CO 0.19 0.28 -0.08 0.20 0.00 0.00 0.00 175.10 175.69 1uls s ASN 174 N 1.84 1.12 -0.04 3.32 0.01 -0.08 0.36 114.94 121.47 1uls s ASN 174 Ca 0.05 -0.84 0.05 0.00 -0.71 0.00 0.00 52.86 51.40 1uls s ASN 174 Cb -0.13 0.06 -0.00 0.00 0.41 0.00 0.00 41.25 41.59 1uls s ASN 174 CO -0.07 -0.35 -0.18 0.28 -1.51 0.00 0.00 177.10 175.27 1uls s THR 175 N -2.76 1.50 0.14 1.60 -1.32 0.63 -1.46 115.64 113.96 1uls s THR 175 Ca 0.04 -0.76 -0.17 0.00 -1.21 0.00 0.00 61.69 59.60 1uls s THR 175 Cb -0.01 -1.28 -0.07 0.00 -1.51 0.00 0.00 72.50 69.63 1uls s THR 175 CO -0.02 0.43 0.60 -0.76 -2.21 0.00 0.00 174.62 172.66 1uls s LEU 176 N -0.00 4.40 -0.55 9.08 1.43 -0.53 -0.98 118.68 131.53 1uls s LEU 176 Ca -0.03 1.22 0.05 0.00 -1.03 0.00 0.00 54.13 54.34 1uls s LEU 176 Cb -0.12 -3.23 0.20 0.00 0.03 0.00 0.00 46.19 43.07 1uls s LEU 176 CO 0.02 0.14 0.50 0.00 0.23 0.00 0.00 176.35 177.24 1uls n ALA 177 N 1.07 3.19 -1.27 4.21 0.00 0.12 0.57 120.51 128.40 1uls n ALA 177 Ca -0.06 -3.93 -0.32 0.00 0.00 0.00 0.00 53.44 49.12 1uls n ALA 177 Cb 0.51 -0.88 0.09 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.12 2.20 0.00 0.00 0.04 -1.26 -1.54 135.00 133.32 1uls s PRO 178 Ca 0.32 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1uls s PRO 178 Cb 0.05 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1uls s PRO 178 CO -0.14 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.58 1uls n GLY 179 N -0.34 0.77 3.53 0.56 0.00 0.25 -1.71 105.19 108.24 1uls n GLY 179 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 3.55 2.76 -0.18 1.61 5.36 -1.26 -4.90 117.98 124.91 1uls s PHE 180 Ca 0.00 0.06 -0.06 0.00 -0.96 0.00 0.00 56.93 55.98 1uls s PHE 180 Cb 0.00 -4.16 -0.03 0.00 -0.34 0.00 0.00 43.02 38.49 1uls s PHE 180 CO 0.00 -1.40 0.01 0.42 -1.46 0.00 0.00 175.22 172.80 1uls s ILE 181 N 4.14 4.26 -0.36 3.12 -1.09 -1.26 -0.22 121.20 129.78 1uls s ILE 181 Ca 0.33 -0.22 -0.28 0.00 -2.23 0.00 0.00 60.65 58.25 1uls s ILE 181 Cb -0.12 -2.91 -0.03 0.00 -1.58 0.00 0.00 42.46 37.83 1uls s ILE 181 CO 0.20 0.46 1.93 -0.70 -1.23 0.00 0.00 174.94 175.60 1uls s GLU 182 N 0.57 3.11 0.24 2.79 2.56 0.24 -4.70 118.70 123.51 1uls s GLU 182 Ca 0.00 1.42 0.03 0.00 0.00 0.00 0.00 54.97 56.43 1uls s GLU 182 Cb -0.14 -4.28 -0.01 0.00 2.00 0.00 0.00 34.13 31.70 1uls s GLU 182 CO 0.02 -2.13 0.11 0.25 -0.56 0.00 0.00 175.26 172.95 1uls n THR 183 N 7.49 0.00 -1.33 -1.70 -2.24 -1.26 -4.37 114.28 110.87 1uls n THR 183 Ca 0.25 -1.45 -0.23 0.00 -2.27 0.00 0.00 64.05 60.35 1uls n THR 183 Cb 0.48 0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.51 2.25 0.00 -0.78 5.12 -1.26 -2.89 116.66 118.59 1uls n ARG 184 Ca -0.01 -1.98 0.00 0.00 -1.93 0.00 0.00 57.85 53.93 1uls n ARG 184 Cb 0.37 -2.05 0.00 0.00 -1.16 0.00 0.00 32.46 29.62 1uls n ARG 184 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1uls n THR 186 N 1.16 0.00 -0.21 0.55 -2.24 -1.26 -4.84 114.28 107.44 1uls n THR 186 Ca 0.45 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 62.17 1uls n THR 186 Cb 0.63 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.89 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 0.76 0.00 6.98 0.00 -1.90 -2.29 119.26 122.80 1uls h ALA 187 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1uls h ALA 187 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1uls h ALA 187 CO 0.00 0.29 0.00 0.87 0.00 0.00 0.00 179.25 180.41 1uls h LYS 188 N 0.80 0.00 -6.50 0.00 6.56 -1.89 -3.45 116.57 112.09 1uls h LYS 188 Ca 0.21 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 59.20 1uls h LYS 188 Cb 0.07 0.00 0.07 0.00 -0.57 0.00 0.00 32.23 31.80 1uls h LYS 188 CO -0.03 0.00 0.63 0.28 -2.06 0.00 0.00 179.45 178.27 1uls n VAL 189 N -2.48 0.49 -1.72 0.50 0.31 -0.86 -4.89 118.33 109.67 1uls n VAL 189 Ca 0.03 -0.12 -0.38 0.00 -0.01 0.00 0.00 64.34 63.86 1uls n VAL 189 Cb 0.35 -1.36 0.05 0.00 -0.91 0.00 0.00 33.84 31.97 1uls n VAL 189 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1uls n PRO 190 N 2.56 1.49 -0.07 5.55 -0.04 -1.26 -4.77 135.00 138.45 1uls n PRO 190 Ca 0.15 0.56 0.16 0.00 -0.04 0.00 0.00 63.50 64.32 1uls n PRO 190 Cb 0.28 -2.49 0.57 0.00 -0.04 0.00 0.00 33.50 31.81 1uls n PRO 190 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1uls h GLU 191 N 1.19 0.26 -0.47 0.54 4.39 -1.95 -0.47 114.58 118.07 1uls h GLU 191 Ca -0.50 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.28 1uls h GLU 191 Cb 1.32 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 29.81 1uls h GLU 191 CO 0.56 0.17 -0.25 0.87 -1.16 0.00 0.00 179.01 179.20 1uls h LYS 192 N 0.27 -0.14 0.38 2.33 1.79 -2.00 -0.27 116.57 118.92 1uls h LYS 192 Ca 0.29 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.75 1uls h LYS 192 Cb 0.78 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1uls h LYS 192 CO -0.06 -0.10 -0.18 0.28 -1.08 0.00 0.00 179.45 178.31 1uls h VAL 193 N -0.15 0.64 -0.41 0.50 2.07 -1.45 -2.75 116.25 114.71 1uls h VAL 193 Ca 0.21 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1uls h VAL 193 Cb 0.49 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 1uls h VAL 193 CO -0.56 0.04 -0.50 -0.09 0.02 0.00 0.00 177.57 176.48 1uls h ARG 194 N -0.62 -0.36 -0.82 1.57 2.43 -0.96 0.30 114.38 115.92 1uls h ARG 194 Ca -0.05 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.28 1uls h ARG 194 Cb 0.46 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 30.00 1uls h ARG 194 CO 0.08 -0.24 0.40 0.93 -1.51 0.00 0.00 179.97 179.64 1uls h GLU 195 N -0.37 0.57 -0.62 0.20 5.08 -1.11 0.54 114.58 118.87 1uls h GLU 195 Ca 0.10 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1uls h GLU 195 Cb 0.60 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1uls h GLU 195 CO -0.59 0.38 0.02 -0.22 -1.00 0.00 0.00 179.01 177.60 1uls h LYS 196 N 0.59 1.07 0.14 2.33 1.63 -0.82 -0.85 116.57 120.66 1uls h LYS 196 Ca 0.44 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1uls h LYS 196 Cb 0.63 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1uls h LYS 196 CO -0.36 1.03 -0.07 0.00 -3.45 0.00 0.00 179.45 176.60 1uls h ALA 197 N 1.02 -0.19 -0.79 5.00 0.00 0.69 -2.84 119.26 122.15 1uls h ALA 197 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1uls h ALA 197 Cb 0.54 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1uls h ALA 197 CO 0.03 -0.36 0.47 0.82 0.00 0.00 0.00 179.25 180.21 1uls h ILE 198 N -0.69 1.22 -0.39 0.00 2.04 -0.99 -2.01 117.51 116.68 1uls h ILE 198 Ca -0.02 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1uls h ILE 198 Cb 0.51 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1uls h ILE 198 CO 0.03 0.23 0.16 0.00 0.00 0.00 0.00 178.15 178.58 1uls h ALA 199 N 1.43 1.55 -0.33 1.87 0.00 -1.18 -1.57 119.26 121.03 1uls h ALA 199 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1uls h ALA 199 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1uls h ALA 199 CO -0.05 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1uls n ALA 200 N -2.47 2.45 -3.26 0.00 0.00 -0.77 -4.78 120.51 111.67 1uls n ALA 200 Ca 0.03 -0.59 -0.37 0.00 0.00 0.00 0.00 53.44 52.50 1uls n ALA 200 Cb 0.14 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.55 3.74 0.30 0.00 2.01 -0.59 -4.25 115.64 115.30 1uls s THR 201 Ca 0.23 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.24 1uls s THR 201 Cb 0.12 -3.07 0.30 0.00 0.01 0.00 0.00 72.50 69.85 1uls s THR 201 CO 0.16 -0.11 1.70 -0.65 -0.69 0.00 0.00 174.62 175.03 1uls h PRO 202 N 8.20 0.42 0.00 4.92 0.11 -1.76 0.68 132.00 144.57 1uls h PRO 202 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1uls h PRO 202 Cb 1.09 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1uls h PRO 202 CO 0.60 0.28 0.00 1.28 -0.21 0.00 0.00 178.00 179.95 1uls n LEU 203 N -5.01 0.00 -3.26 2.35 4.77 -1.01 -4.91 117.00 109.93 1uls n LEU 203 Ca 0.24 0.07 -0.23 0.00 -0.03 0.00 0.00 56.01 56.06 1uls n LEU 203 Cb 0.70 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.73 1uls n LEU 203 CO 0.13 -0.03 -0.01 0.61 -1.33 0.00 0.00 177.39 176.76 1uls n GLY 204 N 0.26 -0.50 3.82 -0.72 0.00 0.24 -4.96 105.19 103.32 1uls n GLY 204 Ca 0.13 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 -5.92 1.63 0.47 1.61 1.70 -1.26 -5.01 118.95 112.17 1uls s ARG 205 Ca 0.38 -0.96 -0.05 0.00 -0.47 0.00 0.00 55.73 54.63 1uls s ARG 205 Cb -0.19 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1uls s ARG 205 CO 0.46 -0.75 0.77 0.00 -1.08 0.00 0.00 175.30 174.70 1uls s ALA 206 N -3.10 3.43 0.48 7.88 0.00 -1.26 -4.89 121.76 124.30 1uls s ALA 206 Ca 0.14 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 1uls s ALA 206 Cb -0.04 -2.54 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1uls s ALA 206 CO 0.06 -0.34 0.75 0.20 0.00 0.00 0.00 175.76 176.43 1uls s GLY 207 N -4.11 1.52 0.06 0.00 0.00 0.69 -4.83 107.32 100.65 1uls s GLY 207 Ca 0.47 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 44.47 1uls s GLY 207 CO 0.44 -0.60 -0.11 0.54 0.00 0.00 0.00 173.10 173.37 1uls s LYS 208 N -4.69 2.23 0.37 2.90 1.02 -1.26 0.83 119.74 121.14 1uls s LYS 208 Ca 0.48 -0.93 0.12 0.00 0.02 0.00 0.00 55.97 55.66 1uls s LYS 208 Cb -0.10 -2.33 0.91 0.00 -0.52 0.00 0.00 37.83 35.79 1uls s LYS 208 CO 0.42 0.54 1.84 -1.00 -0.92 0.00 0.00 175.35 176.23 1uls h PRO 209 N 4.10 0.58 -0.79 -1.68 0.13 -1.93 -1.20 132.00 131.21 1uls h PRO 209 Ca -0.48 -0.03 0.07 0.00 -0.87 0.00 0.00 66.00 64.68 1uls h PRO 209 Cb 1.16 -0.13 -0.05 0.00 0.13 0.00 0.00 31.00 32.11 1uls h PRO 209 CO 0.51 0.38 0.52 1.25 -0.23 0.00 0.00 178.00 180.44 1uls h LEU 210 N 0.60 0.75 -1.11 1.56 6.46 -1.92 0.18 115.31 121.83 1uls h LEU 210 Ca 0.48 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 58.18 1uls h LEU 210 Cb 0.94 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 1uls h LEU 210 CO -0.23 0.48 -0.07 -0.33 -0.62 0.00 0.00 178.44 177.67 1uls h GLU 211 N 0.85 0.55 -0.05 1.25 5.08 -1.63 -0.09 114.58 120.53 1uls h GLU 211 Ca 0.34 -0.14 -0.19 0.00 -1.00 0.00 0.00 59.36 58.37 1uls h GLU 211 Cb 0.25 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1uls h GLU 211 CO -0.12 0.63 -0.79 0.28 -1.00 0.00 0.00 179.01 178.01 1uls h VAL 212 N 0.51 1.39 -0.70 3.13 2.07 -1.16 -3.03 116.25 118.47 1uls h VAL 212 Ca 0.10 -2.25 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 1uls h VAL 212 Cb 0.44 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1uls h VAL 212 CO 0.02 0.67 0.43 0.00 0.02 0.00 0.00 177.57 178.72 1uls h ALA 213 N 0.90 0.89 -0.54 1.67 0.00 -0.15 -1.83 119.26 120.21 1uls h ALA 213 Ca -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1uls h ALA 213 Cb 1.38 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1uls h ALA 213 CO 0.13 0.35 0.27 1.88 0.00 0.00 0.00 179.25 181.88 1uls h TYR 214 N 0.95 0.73 -0.64 0.00 0.99 -1.00 0.91 116.97 118.92 1uls h TYR 214 Ca 0.25 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.89 1uls h TYR 214 Cb -0.05 -0.23 -0.02 0.00 1.00 0.00 0.00 36.73 37.42 1uls h TYR 214 CO -0.02 0.53 0.08 0.00 -0.00 0.00 0.00 178.16 178.76 1uls h ALA 215 N 1.55 0.85 -0.51 3.88 0.00 -1.26 -1.78 119.26 122.00 1uls h ALA 215 Ca 0.19 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1uls h ALA 215 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1uls h ALA 215 CO -0.03 0.63 0.11 0.00 0.00 0.00 0.00 179.25 179.96 1uls h ALA 216 N 1.03 0.68 -0.33 0.00 0.00 -0.52 -2.26 119.26 117.85 1uls h ALA 216 Ca 0.19 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1uls h ALA 216 Cb 0.46 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1uls h ALA 216 CO 0.02 0.39 0.06 1.25 0.00 0.00 0.00 179.25 180.96 1uls h LEU 217 N 0.72 -0.01 0.08 0.00 6.46 -0.54 -0.34 115.31 121.68 1uls h LEU 217 Ca 0.16 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 1uls h LEU 217 Cb 0.36 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1uls h LEU 217 CO 0.01 0.03 -0.09 0.15 -0.62 0.00 0.00 178.44 177.92 1uls h PHE 218 N 0.17 -0.22 0.00 1.25 3.57 -1.15 -0.23 116.94 120.33 1uls h PHE 218 Ca 0.16 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1uls h PHE 218 Cb 0.18 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1uls h PHE 218 CO -0.19 -0.14 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.40 1uls h LEU 219 N -0.19 0.00 0.00 0.59 3.38 -1.11 -3.08 115.31 114.90 1uls h LEU 219 Ca 0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 1uls h LEU 219 Cb 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1uls h LEU 219 CO -0.03 0.29 -1.42 0.25 0.09 0.00 0.00 178.44 177.62 1uls h LEU 220 N 0.00 0.00-10.39 1.67 6.46 -0.85 -3.45 115.31 108.75 1uls h LEU 220 Ca -0.00 -0.01 -0.49 0.00 -0.12 0.00 0.00 57.88 57.26 1uls h LEU 220 Cb 0.55 -0.00 0.12 0.00 -0.73 0.00 0.00 40.66 40.59 1uls h LEU 220 CO 0.04 1.01 0.33 -0.94 -0.62 0.00 0.00 178.44 178.25 1uls s SER 221 N -6.35 4.44 0.00 1.25 1.04 -0.11 -4.73 113.70 109.24 1uls s SER 221 Ca -0.02 1.40 0.14 0.00 0.48 0.00 0.00 55.95 57.94 1uls s SER 221 Cb 0.09 -2.14 0.81 0.00 0.10 0.00 0.00 66.02 64.88 1uls s SER 221 CO 0.82 -2.01 1.27 0.47 0.98 0.00 0.00 173.24 174.78 1uls n ASP 222 N -3.47 0.00 0.20 7.02 8.00 -1.26 -2.58 116.55 124.46 1uls n ASP 222 Ca 0.07 -0.34 0.07 0.00 0.71 0.00 0.00 54.79 55.30 1uls n ASP 222 Cb 0.56 -0.05 0.39 0.00 -0.02 0.00 0.00 41.12 42.00 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 -0.64 -1.24 5.08 -1.91 -2.79 114.58 113.09 1uls h GLU 223 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1uls h GLU 223 Cb 0.02 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.08 1uls h GLU 223 CO 0.00 0.32 0.24 -1.13 -1.00 0.00 0.00 179.01 177.44 1uls n SER 224 N -3.52 3.07 0.05 1.42 3.41 -1.07 -4.75 113.62 112.23 1uls n SER 224 Ca -0.00 -3.70 0.21 0.00 -0.26 0.00 0.00 58.87 55.12 1uls n SER 224 Cb 0.47 -0.73 0.74 0.00 -0.26 0.00 0.00 64.21 64.43 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 1.05 0.00 -0.47 4.04 4.64 -1.67 -0.59 113.55 120.55 1uls h SER 225 Ca 0.40 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.56 1uls h SER 225 Cb 2.20 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 64.19 1uls h SER 225 CO 0.70 0.00 0.09 0.33 -0.87 0.00 0.00 176.83 177.09 1uls n PHE 226 N -3.83 1.53 -4.22 4.77 7.35 -1.26 -4.92 117.46 116.87 1uls n PHE 226 Ca 0.09 -1.31 -0.31 0.00 -0.76 0.00 0.00 57.45 55.16 1uls n PHE 226 Cb 0.66 -0.52 -0.16 0.00 0.35 0.00 0.00 39.48 39.81 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 -3.07 1.74 0.05 -2.13 1.01 -0.23 -5.12 121.20 113.45 1uls s ILE 227 Ca 0.47 -0.75 -0.16 0.00 0.00 0.00 0.00 60.65 60.21 1uls s ILE 227 Cb 0.40 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 41.31 1uls s ILE 227 CO 0.07 0.49 0.36 0.28 0.00 0.00 0.00 174.94 176.13 1uls s THR 228 N 1.25 0.07 -1.31 2.92 -1.32 -1.26 -4.78 115.64 111.21 1uls s THR 228 Ca 0.01 -0.58 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 1uls s THR 228 Cb -0.14 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 1uls s THR 228 CO -0.08 -0.32 0.00 0.61 -2.21 0.00 0.00 174.62 172.62 1uls n GLY 229 N 0.44 0.77 3.85 6.08 0.00 0.16 -4.97 105.19 111.52 1uls n GLY 229 Ca -0.18 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.75 3.04 -0.26 1.61 -1.52 -1.26 -4.78 119.66 112.73 1uls s GLN 230 Ca 0.00 -0.93 0.01 0.00 -1.95 0.00 0.00 55.36 52.49 1uls s GLN 230 Cb 0.00 -2.66 0.05 0.00 -0.22 0.00 0.00 33.01 30.18 1uls s GLN 230 CO 0.00 0.43 -0.08 0.08 -0.25 0.00 0.00 175.29 175.47 1uls s VAL 231 N -1.99 2.46 -0.39 1.09 1.01 -1.26 -0.27 120.40 121.06 1uls s VAL 231 Ca 0.33 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 1uls s VAL 231 Cb -0.09 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.95 1uls s VAL 231 CO 0.25 0.03 0.23 -0.22 0.00 0.00 0.00 175.10 175.40 1uls s LEU 232 N 1.19 4.85 0.06 3.92 2.96 -0.15 -4.94 118.68 126.57 1uls s LEU 232 Ca -0.06 -1.01 -0.30 0.00 -0.22 0.00 0.00 54.13 52.54 1uls s LEU 232 Cb -0.19 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 1uls s LEU 232 CO -0.05 -0.42 1.00 -0.36 -1.32 0.00 0.00 176.35 175.21 1uls s PHE 233 N 1.58 3.70 -0.55 5.38 0.40 -1.26 -0.71 117.98 126.51 1uls s PHE 233 Ca 0.03 1.70 0.07 0.00 -0.60 0.00 0.00 56.93 58.12 1uls s PHE 233 Cb -0.19 -3.13 0.25 0.00 0.51 0.00 0.00 43.02 40.45 1uls s PHE 233 CO 0.07 -0.08 0.66 0.28 0.70 0.00 0.00 175.22 176.85 1uls n VAL 234 N 3.33 1.27 -1.63 -0.44 0.31 -0.59 -4.84 118.33 115.74 1uls n VAL 234 Ca 0.04 -4.79 0.04 0.00 -0.01 0.00 0.00 64.34 59.63 1uls n VAL 234 Cb 0.49 -2.05 0.05 0.00 -0.91 0.00 0.00 33.84 31.43 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 1.07 0.91 -1.51 4.52 3.85 -1.26 -0.58 116.55 123.55 1uls n ASP 235 Ca 0.27 -2.41 -0.19 0.00 -0.71 0.00 0.00 54.79 51.74 1uls n ASP 235 Cb 0.45 -0.29 -0.08 0.00 -1.35 0.00 0.00 41.12 39.85 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 -0.56 1.84 1.02 6.12 0.00 -1.26 -1.83 105.19 110.52 1uls n GLY 236 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.30 0.75 0.35 -0.02 0.00 -1.26 -2.40 105.19 102.31 1uls n GLY 237 Ca -0.19 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 3.40 0.00 -0.06 1.61 9.65 -1.54 -1.90 114.38 125.54 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 -4.41 0.06 -0.13 0.20 5.66 -1.26 -3.86 114.28 110.55 1uls n THR 239 Ca 0.07 -0.32 -0.10 0.00 -3.05 0.00 0.00 64.05 60.65 1uls n THR 239 Cb 0.49 0.63 -0.02 0.00 -1.55 0.00 0.00 70.33 69.88 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 2.72 1.22 0.00 1.09 2.04 -1.72 -3.39 117.51 119.48 1uls h ILE 240 Ca 0.00 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1uls h ILE 240 Cb 0.58 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1uls h ILE 240 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 178.15 179.01 1uls n GLY 241 N -0.61 -0.17 3.37 5.37 0.00 -1.26 -5.22 105.19 106.67 1uls n GLY 241 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1uls n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32