#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 2.06 -4.46 0.55 4.77 -0.42 -4.65 117.00 114.86 1uls n LEU 3 Ca 0.00 -3.10 -0.55 0.00 -0.03 0.00 0.00 56.01 52.33 1uls n LEU 3 Cb 0.00 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 1uls n LEU 3 CO 0.00 0.97 1.67 1.17 -1.33 0.00 0.00 177.39 179.87 1uls n LYS 4 N -0.79 0.79 -0.94 3.23 4.81 -1.02 -0.87 118.16 123.37 1uls n LYS 4 Ca 0.14 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1uls n LYS 4 Cb 0.77 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.70 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 8.18 -4.48 -4.73 3.14 8.00 -0.29 -4.96 116.55 121.41 1uls n ASP 5 Ca 0.42 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.50 1uls n ASP 5 Cb 0.13 -2.65 -0.03 0.00 -0.02 0.00 0.00 41.12 38.55 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 -1.41 4.46 -0.35 -1.24 -0.14 -0.05 -4.68 119.74 116.34 1uls s LYS 6 Ca 0.00 1.88 -0.22 0.00 -1.36 0.00 0.00 55.97 56.26 1uls s LYS 6 Cb 0.00 -3.26 0.00 0.00 -1.68 0.00 0.00 37.83 32.89 1uls s LYS 6 CO 0.00 -0.16 0.73 0.00 -0.76 0.00 0.00 175.35 175.16 1uls s ALA 7 N 0.29 3.46 -0.01 5.17 0.00 -1.26 -0.90 121.76 128.51 1uls s ALA 7 Ca 0.55 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.89 1uls s ALA 7 Cb -0.32 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1uls s ALA 7 CO 0.35 -1.36 -0.14 0.08 0.00 0.00 0.00 175.76 174.69 1uls s VAL 8 N 2.93 1.09 -0.07 0.00 1.01 -0.78 0.18 120.40 124.77 1uls s VAL 8 Ca 0.29 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1uls s VAL 8 Cb -0.14 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1uls s VAL 8 CO 0.15 0.31 -0.13 -0.22 0.00 0.00 0.00 175.10 175.21 1uls s LEU 9 N -0.28 2.77 -0.07 3.92 0.20 -0.94 -2.14 118.68 122.14 1uls s LEU 9 Ca 0.05 -0.21 0.02 0.00 0.69 0.00 0.00 54.13 54.67 1uls s LEU 9 Cb -0.06 -1.58 0.01 0.00 -0.43 0.00 0.00 46.19 44.14 1uls s LEU 9 CO -0.00 0.30 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.61 1uls s ILE 10 N -0.47 1.12 0.32 6.68 1.01 -0.76 -1.82 121.20 127.28 1uls s ILE 10 Ca 0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 1uls s ILE 10 Cb -0.12 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1uls s ILE 10 CO 0.02 0.36 0.53 0.42 0.00 0.00 0.00 174.94 176.27 1uls s THR 11 N 0.78 5.10 -2.04 2.92 -4.23 -0.90 -0.47 115.64 116.79 1uls s THR 11 Ca -0.12 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1uls s THR 11 Cb -0.15 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1uls s THR 11 CO 0.02 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1uls n GLY 12 N -1.48 0.97 0.09 3.99 0.00 0.38 -3.71 105.19 105.43 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 -0.01 1.33 0.10 4.61 0.00 -0.37 -3.08 120.51 123.10 1uls n ALA 13 Ca -0.23 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 1uls n ALA 13 Cb 0.69 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 2.17 0.60 -1.69 0.00 0.00 -1.86 -2.90 119.26 115.58 1uls h ALA 14 Ca 0.00 -0.71 -0.54 0.00 0.00 0.00 0.00 54.91 53.65 1uls h ALA 14 Cb 0.15 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.68 1uls h ALA 14 CO 0.00 0.98 -0.58 -3.38 0.00 0.00 0.00 179.25 176.27 1uls s HIS 15 N -3.04 2.04 0.00 0.00 0.00 -1.18 -4.69 115.29 108.42 1uls s HIS 15 Ca 0.01 -0.95 0.00 0.00 -3.00 0.00 0.00 55.06 51.11 1uls s HIS 15 Cb 0.10 -1.41 0.00 0.00 -4.00 0.00 0.00 32.58 27.28 1uls s HIS 15 CO 0.78 0.07 0.00 0.41 -1.00 0.00 0.00 174.74 175.01 1uls n GLY 16 N -0.85 0.53 0.20 -1.38 0.00 -1.26 -0.98 105.19 101.45 1uls n GLY 16 Ca -0.05 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 0.93 -0.97 -0.61 2.04 -1.89 -0.98 117.51 116.03 1uls h ILE 17 Ca 0.00 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.75 1uls h ILE 17 Cb 0.00 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 1uls h ILE 17 CO 0.00 0.08 0.63 1.23 0.00 0.00 0.00 178.15 180.09 1uls h GLY 18 N 0.46 1.44 0.72 5.37 0.00 -1.40 0.96 103.07 110.63 1uls h GLY 18 Ca 0.22 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1uls h GLY 18 CO -0.18 0.36 -0.04 -0.09 0.00 0.00 0.00 176.54 176.60 1uls h ARG 19 N 1.17 -0.10 -0.23 4.80 9.65 -0.34 -0.28 114.38 129.05 1uls h ARG 19 Ca 0.40 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.27 1uls h ARG 19 Cb 0.09 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1uls h ARG 19 CO -0.15 0.19 0.08 0.00 2.80 0.00 0.00 179.97 182.89 1uls h ALA 20 N 0.52 1.70 -0.28 2.80 0.00 -0.90 -1.32 119.26 121.78 1uls h ALA 20 Ca -0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1uls h ALA 20 Cb 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1uls h ALA 20 CO 0.02 0.24 -0.35 1.15 0.00 0.00 0.00 179.25 180.30 1uls h THR 21 N 0.33 1.30 -0.85 0.00 2.02 -0.66 -1.62 112.91 113.44 1uls h THR 21 Ca 0.08 -1.54 0.03 0.00 0.77 0.00 0.00 66.41 65.75 1uls h THR 21 Cb 0.10 1.63 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 1uls h THR 21 CO -0.01 0.49 0.55 0.25 0.37 0.00 0.00 175.52 177.17 1uls h LEU 22 N 0.47 0.92 -0.15 2.58 6.46 -0.13 -0.11 115.31 125.35 1uls h LEU 22 Ca 0.03 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1uls h LEU 22 Cb 0.94 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1uls h LEU 22 CO 0.08 0.64 -0.04 -0.33 -0.62 0.00 0.00 178.44 178.18 1uls h GLU 23 N 1.08 0.29 -0.53 1.25 5.08 -1.20 -1.95 114.58 118.59 1uls h GLU 23 Ca 0.33 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1uls h GLU 23 Cb -0.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1uls h GLU 23 CO -0.10 0.57 0.26 1.25 -1.00 0.00 0.00 179.01 179.99 1uls h LEU 24 N -0.02 0.70 -0.89 1.33 6.46 -1.03 -1.80 115.31 120.06 1uls h LEU 24 Ca 0.04 -0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.60 1uls h LEU 24 Cb 0.47 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1uls h LEU 24 CO 0.02 0.63 0.06 -0.26 -0.62 0.00 0.00 178.44 178.26 1uls h PHE 25 N 0.72 0.93 -0.63 1.25 -1.00 -1.05 -1.53 116.94 115.62 1uls h PHE 25 Ca 0.18 -0.12 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 1uls h PHE 25 Cb 0.12 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 1uls h PHE 25 CO -0.00 0.81 0.27 0.00 -1.61 0.00 0.00 178.31 177.78 1uls h ALA 26 N 1.23 0.82 0.00 2.45 0.00 -0.96 -0.97 119.26 121.82 1uls h ALA 26 Ca 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1uls h ALA 26 Cb 0.41 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1uls h ALA 26 CO 0.01 0.42 -0.16 0.87 0.00 0.00 0.00 179.25 180.39 1uls h LYS 27 N 0.88 0.00 -0.34 0.00 1.57 -0.98 -0.75 116.57 116.94 1uls h LYS 27 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1uls h LYS 27 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1uls h LYS 27 CO -0.02 0.16 0.00 0.39 -0.57 0.00 0.00 179.45 179.41 1uls n GLU 28 N -3.52 1.73 -1.71 3.15 -0.58 -0.43 -4.92 120.64 114.37 1uls n GLU 28 Ca -0.01 -1.02 -0.06 0.00 -0.42 0.00 0.00 57.16 55.64 1uls n GLU 28 Cb 0.31 -1.28 -0.01 0.00 -0.57 0.00 0.00 31.44 29.89 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 0.87 0.44 3.84 0.62 0.00 -0.29 -1.30 105.19 109.37 1uls n GLY 29 Ca 0.09 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.28 3.12 -0.49 4.61 0.00 -0.84 -1.13 121.76 124.75 1uls s ALA 30 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 1uls s ALA 30 Cb 0.00 -3.04 0.06 0.00 0.00 0.00 0.00 23.12 20.14 1uls s ALA 30 CO 0.00 -0.03 0.51 1.03 0.00 0.00 0.00 175.76 177.27 1uls s ARG 31 N -3.63 3.05 0.21 0.00 0.52 -0.08 -4.74 118.95 114.28 1uls s ARG 31 Ca 0.59 -1.12 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 1uls s ARG 31 Cb -0.10 -4.11 -0.04 0.00 0.52 0.00 0.00 34.95 31.22 1uls s ARG 31 CO 0.24 -1.12 0.19 -0.51 0.02 0.00 0.00 175.30 174.11 1uls s LEU 32 N 2.13 3.87 -0.17 2.53 1.43 -1.26 -1.86 118.68 125.35 1uls s LEU 32 Ca 0.10 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1uls s LEU 32 Cb -0.22 -2.44 0.05 0.00 0.03 0.00 0.00 46.19 43.61 1uls s LEU 32 CO 0.09 0.01 -0.01 -0.69 0.23 0.00 0.00 176.35 175.99 1uls s VAL 33 N -1.94 0.81 -0.17 -1.59 1.01 -0.91 -1.29 120.40 116.31 1uls s VAL 33 Ca 0.32 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1uls s VAL 33 Cb -0.09 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1uls s VAL 33 CO 0.25 -0.02 0.42 0.00 0.00 0.00 0.00 175.10 175.75 1uls s ALA 34 N 1.75 3.53 0.02 5.51 0.00 -0.10 -1.83 121.76 130.64 1uls s ALA 34 Ca -0.00 -0.39 0.09 0.00 0.00 0.00 0.00 51.96 51.65 1uls s ALA 34 Cb -0.16 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 1uls s ALA 34 CO -0.07 -0.17 -0.26 0.00 0.00 0.00 0.00 175.76 175.26 1uls s ASP 36 N -1.04 -0.08 0.12 0.00 -1.08 -1.24 -0.47 116.67 112.89 1uls s ASP 36 Ca 0.11 -0.40 -0.07 0.00 -0.52 0.00 0.00 52.55 51.68 1uls s ASP 36 Cb -0.10 0.38 -0.11 0.00 -1.46 0.00 0.00 42.92 41.62 1uls s ASP 36 CO 0.01 -0.72 1.29 -0.29 0.52 0.00 0.00 175.17 175.98 1uls h ILE 37 N 2.00 1.36 -3.69 4.11 6.09 -1.95 -3.39 117.51 122.05 1uls h ILE 37 Ca -0.27 -2.34 -0.66 0.00 -1.37 0.00 0.00 64.86 60.22 1uls h ILE 37 Cb 1.22 2.35 -0.22 0.00 0.47 0.00 0.00 36.82 40.64 1uls h ILE 37 CO 0.30 0.71 -0.57 -0.70 -3.07 0.00 0.00 178.15 174.81 1uls s GLU 38 N -3.34 3.54 0.24 2.19 2.12 -1.26 -4.94 118.70 117.25 1uls s GLU 38 Ca -0.07 -0.58 -0.07 0.00 0.36 0.00 0.00 54.97 54.61 1uls s GLU 38 Cb 0.09 -3.50 0.23 0.00 0.26 0.00 0.00 34.13 31.20 1uls s GLU 38 CO 0.88 -0.30 1.91 1.49 -0.54 0.00 0.00 175.26 178.69 1uls h GLU 39 N 8.32 1.23 -0.00 4.30 4.81 -1.99 -2.34 114.58 128.90 1uls h GLU 39 Ca -0.35 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1uls h GLU 39 Cb 1.16 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1uls h GLU 39 CO 0.59 0.82 -0.07 0.78 -0.73 0.00 0.00 179.01 180.40 1uls h GLY 40 N 1.26 -1.36 2.00 1.92 0.00 -2.00 -0.83 103.07 104.06 1uls h GLY 40 Ca 0.34 0.61 -0.02 0.00 0.00 0.00 0.00 47.33 48.26 1uls h GLY 40 CO -0.07 -0.49 -0.10 -0.56 0.00 0.00 0.00 176.54 175.32 1uls h PRO 41 N -0.09 0.00 -0.06 4.80 0.13 -1.98 -2.98 132.00 131.82 1uls h PRO 41 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1uls h PRO 41 Cb 0.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 1uls h PRO 41 CO -0.05 0.10 0.01 1.25 -0.23 0.00 0.00 178.00 179.08 1uls h LEU 42 N 0.00 0.09 -0.55 1.56 6.46 -1.03 -1.50 115.31 120.33 1uls h LEU 42 Ca -0.00 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.49 1uls h LEU 42 Cb 0.46 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1uls h LEU 42 CO 0.01 0.31 0.22 0.03 -0.62 0.00 0.00 178.44 178.38 1uls h ARG 43 N -0.13 0.83 0.12 1.25 3.08 -1.07 0.09 114.38 118.56 1uls h ARG 43 Ca 0.02 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1uls h ARG 43 Cb 0.25 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1uls h ARG 43 CO 0.00 0.72 -0.11 1.49 -1.07 0.00 0.00 179.97 181.00 1uls h GLU 44 N 0.76 -0.24 -0.60 0.04 4.81 -1.44 0.15 114.58 118.05 1uls h GLU 44 Ca 0.18 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1uls h GLU 44 Cb 0.21 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1uls h GLU 44 CO -0.01 -0.16 0.33 0.00 -0.73 0.00 0.00 179.01 178.43 1uls h ALA 45 N 0.61 0.77 -0.52 2.92 0.00 -1.15 -1.96 119.26 119.93 1uls h ALA 45 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1uls h ALA 45 Cb 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1uls h ALA 45 CO -0.02 0.28 0.10 0.00 0.00 0.00 0.00 179.25 179.61 1uls h ALA 46 N 1.15 0.68 -0.40 0.00 0.00 -0.73 -3.15 119.26 116.83 1uls h ALA 46 Ca 0.21 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1uls h ALA 46 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1uls h ALA 46 CO -0.03 0.40 -0.20 0.93 0.00 0.00 0.00 179.25 180.35 1uls h GLU 47 N 0.73 0.78 0.00 0.00 5.08 -0.56 0.31 114.58 120.92 1uls h GLU 47 Ca 0.16 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1uls h GLU 47 Cb 0.37 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1uls h GLU 47 CO 0.01 0.91 0.00 0.00 -1.00 0.00 0.00 179.01 178.93 1uls h ALA 48 N 1.09 1.00 0.00 3.43 0.00 -1.31 -2.90 119.26 120.57 1uls h ALA 48 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uls h ALA 48 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1uls h ALA 48 CO 0.05 0.00 0.00 1.55 0.00 0.00 0.00 179.25 180.85 1uls n VAL 49 N -2.43 0.07 -0.77 0.00 3.14 -1.02 -5.03 118.33 112.29 1uls n VAL 49 Ca -0.02 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 1uls n VAL 49 Cb 0.04 1.35 0.00 0.00 -1.06 0.00 0.00 33.84 34.17 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 -0.04 0.56 3.95 7.55 0.00 -0.49 -4.93 105.19 111.79 1uls n GLY 50 Ca 0.00 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 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 3.64 -0.33 4.61 0.00 -0.02 -4.82 121.76 122.84 1uls s ALA 51 Ca 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1uls s ALA 51 Cb 0.00 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 1uls s ALA 51 CO 0.00 -0.74 0.23 -1.58 0.00 0.00 0.00 175.76 173.67 1uls s HIS 52 N -2.82 3.22 0.08 0.00 2.46 -0.42 -4.43 115.29 113.39 1uls s HIS 52 Ca 0.55 -0.23 -0.30 0.00 0.47 0.00 0.00 55.06 55.55 1uls s HIS 52 Cb -0.10 -2.46 -0.06 0.00 -0.13 0.00 0.00 32.58 29.83 1uls s HIS 52 CO 0.40 -0.36 1.12 -1.25 -2.47 0.00 0.00 174.74 172.19 1uls s PRO 53 N 1.72 4.51 -0.21 2.88 0.04 -1.26 -0.93 135.00 141.74 1uls s PRO 53 Ca 0.06 1.68 -0.05 0.00 0.04 0.00 0.00 61.00 62.73 1uls s PRO 53 Cb -0.17 -3.35 0.08 0.00 0.04 0.00 0.00 34.50 31.09 1uls s PRO 53 CO 0.10 -0.11 0.12 0.08 0.04 0.00 0.00 177.00 177.23 1uls s VAL 54 N 0.66 -0.10 0.97 -0.36 1.01 -0.07 -4.92 120.40 117.58 1uls s VAL 54 Ca 0.54 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1uls s VAL 54 Cb -0.28 -0.72 0.17 0.00 0.00 0.00 0.00 36.38 35.56 1uls s VAL 54 CO 0.31 -0.43 1.10 -0.69 0.00 0.00 0.00 175.10 175.39 1uls s VAL 55 N 2.14 2.24 -0.37 2.92 1.01 -1.26 -3.67 120.40 123.40 1uls s VAL 55 Ca 0.05 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1uls s VAL 55 Cb -0.16 -2.20 0.19 0.00 0.00 0.00 0.00 36.38 34.21 1uls s VAL 55 CO -0.19 -0.10 0.62 -0.62 0.00 0.00 0.00 175.10 174.81 1uls s ASP 57 N -2.78 -1.56 0.00 3.32 -1.08 -1.26 -4.80 116.67 108.52 1uls s ASP 57 Ca 0.66 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 52.21 1uls s ASP 57 Cb -0.22 1.98 0.00 0.00 -1.46 0.00 0.00 42.92 43.22 1uls s ASP 57 CO 0.59 -0.21 0.87 1.33 0.52 0.00 0.00 175.17 178.27 1uls n VAL 58 N 4.71 1.48 0.47 1.11 0.24 -1.26 -0.32 118.33 124.76 1uls n VAL 58 Ca 0.09 0.49 0.12 0.00 -2.04 0.00 0.00 64.34 63.00 1uls n VAL 58 Cb 0.56 -1.49 0.13 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 h ALA 59 N 1.52 0.56 -2.72 2.33 0.00 -1.88 -3.38 119.26 115.69 1uls h ALA 59 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 1uls h ALA 59 Cb 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.78 1uls h ALA 59 CO 0.00 0.00 -0.48 0.34 0.00 0.00 0.00 179.25 179.11 1uls s ASP 60 N -4.48 5.81 0.30 0.00 3.68 0.56 -4.97 116.67 117.57 1uls s ASP 60 Ca 0.05 -1.08 0.05 0.00 2.13 0.00 0.00 52.55 53.70 1uls s ASP 60 Cb 0.12 -2.05 0.75 0.00 -1.45 0.00 0.00 42.92 40.29 1uls s ASP 60 CO 0.74 -0.44 1.71 -0.65 0.13 0.00 0.00 175.17 176.66 1uls h PRO 61 N 8.49 0.43 -0.47 4.34 0.11 -1.85 0.11 132.00 143.16 1uls h PRO 61 Ca -0.25 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.71 1uls h PRO 61 Cb 1.10 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1uls h PRO 61 CO 0.71 0.29 -0.18 0.00 -0.21 0.00 0.00 178.00 178.60 1uls h ALA 62 N 1.71 0.78 -0.42 -0.75 0.00 -1.93 -2.06 119.26 116.59 1uls h ALA 62 Ca 0.57 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1uls h ALA 62 Cb 1.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1uls h ALA 62 CO -0.51 0.66 0.06 1.03 0.00 0.00 0.00 179.25 180.49 1uls h SER 63 N 0.82 0.68 -0.73 0.00 0.87 -1.13 -0.92 113.55 113.14 1uls h SER 63 Ca 0.12 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 1uls h SER 63 Cb 0.73 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1uls h SER 63 CO 0.06 0.77 0.25 0.58 -0.53 0.00 0.00 176.83 177.96 1uls h VAL 64 N 0.56 1.26 0.13 2.23 2.07 -1.08 -1.30 116.25 120.12 1uls h VAL 64 Ca 0.13 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1uls h VAL 64 Cb 0.39 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1uls h VAL 64 CO 0.01 0.34 -0.06 -0.08 0.02 0.00 0.00 177.57 177.80 1uls h GLU 65 N 1.09 -0.17 -0.70 1.57 4.81 -1.12 -1.82 114.58 118.25 1uls h GLU 65 Ca 0.24 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 1uls h GLU 65 Cb 0.27 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1uls h GLU 65 CO -0.01 0.10 0.43 0.00 -0.73 0.00 0.00 179.01 178.80 1uls h ARG 66 N -0.43 0.81 -0.17 1.92 3.08 -1.10 -1.84 114.38 116.65 1uls h ARG 66 Ca -0.02 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1uls h ARG 66 Cb 0.35 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1uls h ARG 66 CO 0.03 0.53 -0.04 0.78 -1.07 0.00 0.00 179.97 180.20 1uls h GLY 67 N 0.83 0.12 1.87 0.04 0.00 -1.14 -1.17 103.07 103.63 1uls h GLY 67 Ca 0.29 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.61 1uls h GLY 67 CO -0.12 -0.06 -0.23 0.74 0.00 0.00 0.00 176.54 176.87 1uls h PHE 68 N 0.00 0.16 -0.38 5.60 -1.00 -0.95 0.09 116.94 120.47 1uls h PHE 68 Ca 0.08 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 1uls h PHE 68 Cb 0.12 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 1uls h PHE 68 CO -0.19 0.38 0.14 0.00 -1.61 0.00 0.00 178.31 177.02 1uls h ALA 69 N 1.63 0.49 -0.47 2.45 0.00 -0.76 -0.04 119.26 122.56 1uls h ALA 69 Ca 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1uls h ALA 69 Cb 0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1uls h ALA 69 CO 0.03 0.11 0.14 0.93 0.00 0.00 0.00 179.25 180.46 1uls h GLU 70 N 0.46 0.74 -0.51 0.00 5.08 -0.61 -0.22 114.58 119.52 1uls h GLU 70 Ca 0.12 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1uls h GLU 70 Cb 0.22 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1uls h GLU 70 CO -0.01 0.71 0.32 0.00 -1.00 0.00 0.00 179.01 179.03 1uls h ALA 71 N 1.00 0.65 -0.61 3.43 0.00 -0.79 -0.35 119.26 122.59 1uls h ALA 71 Ca 0.15 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1uls h ALA 71 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1uls h ALA 71 CO -0.00 0.12 -0.01 -0.07 0.00 0.00 0.00 179.25 179.29 1uls h LEU 72 N 0.69 1.06 -0.91 0.00 -0.00 -0.83 0.51 115.31 115.82 1uls h LEU 72 Ca 0.18 -0.31 -0.00 0.00 -0.00 0.00 0.00 57.88 57.75 1uls h LEU 72 Cb -0.03 -0.29 -0.04 0.00 -0.00 0.00 0.00 40.66 40.30 1uls h LEU 72 CO -0.04 1.12 0.56 0.00 -0.00 0.00 0.00 178.44 180.08 1uls h ALA 73 N 0.99 1.16 0.09 1.53 0.00 -0.63 1.45 119.26 123.85 1uls h ALA 73 Ca 0.17 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 1uls h ALA 73 Cb 0.58 -0.37 0.02 0.00 0.00 0.00 0.00 17.79 18.02 1uls h ALA 73 CO 0.03 0.61 -1.05 1.25 0.00 0.00 0.00 179.25 180.10 1uls h HIS 74 N 1.26 0.87 0.12 0.00 -0.00 -0.69 -3.37 115.15 113.34 1uls h HIS 74 Ca 0.33 -0.54 -0.33 0.00 -0.00 0.00 0.00 60.37 59.82 1uls h HIS 74 Cb -0.06 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 1uls h HIS 74 CO 0.00 1.39 -1.75 -0.07 -0.00 0.00 0.00 177.93 177.50 1uls h LEU 75 N 0.11 0.41 0.00 0.26 3.38 0.14 -3.48 115.31 116.13 1uls h LEU 75 Ca -0.16 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1uls h LEU 75 Cb 1.75 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1uls h LEU 75 CO 0.20 1.61 0.00 0.61 0.09 0.00 0.00 178.44 180.95 1uls n GLY 76 N 1.80 2.61 3.83 0.83 0.00 0.50 -4.94 105.19 109.82 1uls n GLY 76 Ca -0.23 0.00 -0.07 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 -0.43 1.82 -0.06 1.61 1.70 -1.26 -5.01 118.95 117.32 1uls s ARG 77 Ca 0.00 -1.11 -0.03 0.00 -0.47 0.00 0.00 55.73 54.12 1uls s ARG 77 Cb 0.00 0.55 0.04 0.00 -0.57 0.00 0.00 34.95 34.97 1uls s ARG 77 CO 0.00 -0.85 0.11 -1.17 -1.08 0.00 0.00 175.30 172.31 1uls s LEU 78 N -3.06 0.16 -0.07 -1.89 0.20 -1.26 -4.83 118.68 107.92 1uls s LEU 78 Ca 0.15 0.21 0.18 0.00 0.69 0.00 0.00 54.13 55.36 1uls s LEU 78 Cb -0.04 0.10 -0.27 0.00 -0.43 0.00 0.00 46.19 45.54 1uls s LEU 78 CO 0.08 -0.23 0.31 0.47 -0.29 0.00 0.00 176.35 176.69 1uls n ASP 79 N 5.14 0.62 -3.62 3.68 8.00 0.13 -4.89 116.55 125.60 1uls n ASP 79 Ca -0.08 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.38 1uls n ASP 79 Cb 0.50 1.59 -0.01 0.00 -0.02 0.00 0.00 41.12 43.17 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 -4.51 -0.35 -0.13 0.44 0.00 -1.03 -1.77 107.32 99.97 1uls s GLY 80 Ca -0.08 0.78 -0.11 0.00 0.00 0.00 0.00 44.72 45.31 1uls s GLY 80 CO 0.78 0.22 0.35 0.14 0.00 0.00 0.00 173.10 174.59 1uls s VAL 81 N -2.91 -0.01 -0.20 1.40 1.01 -0.79 -2.21 120.40 116.69 1uls s VAL 81 Ca 0.10 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1uls s VAL 81 Cb 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 36.38 35.93 1uls s VAL 81 CO -0.04 0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.23 1uls s VAL 82 N 0.37 1.97 -0.21 2.92 1.01 -0.76 -0.38 120.40 125.32 1uls s VAL 82 Ca -0.02 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.71 1uls s VAL 82 Cb -0.03 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1uls s VAL 82 CO -0.01 0.30 0.26 -2.28 0.00 0.00 0.00 175.10 173.37 1uls s HIS 83 N 1.27 3.36 0.03 5.22 2.46 0.26 -2.13 115.29 125.77 1uls s HIS 83 Ca -0.00 0.42 -0.02 0.00 0.47 0.00 0.00 55.06 55.93 1uls s HIS 83 Cb -0.16 -2.37 -0.01 0.00 -0.13 0.00 0.00 32.58 29.92 1uls s HIS 83 CO -0.10 0.07 -0.04 0.66 -2.47 0.00 0.00 174.74 172.87 1uls n TYR 84 N 4.24 0.00 0.00 3.88 0.53 -1.24 -2.18 117.16 122.39 1uls n TYR 84 Ca -0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.76 1uls n TYR 84 Cb 0.52 -0.07 0.00 0.00 -1.03 0.00 0.00 39.34 38.75 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 -3.39 0.00 -3.12 -0.72 0.00 -1.26 -4.87 120.51 107.14 1uls n ALA 85 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 1uls n ALA 85 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.28 0.26 0.00 0.00 -1.26 -4.71 107.32 101.33 1uls s GLY 86 Ca 0.00 0.22 0.03 0.00 0.00 0.00 0.00 44.72 44.97 1uls s GLY 86 CO 0.00 -0.04 0.19 -0.26 0.00 0.00 0.00 173.10 172.99 1uls s ILE 87 N -2.86 0.06 0.05 0.90 -4.36 -1.26 -5.06 121.20 108.66 1uls s ILE 87 Ca -0.03 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 1uls s ILE 87 Cb -0.00 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.18 1uls s ILE 87 CO -0.05 0.00 -0.05 0.42 0.24 0.00 0.00 174.94 175.50 1uls s THR 88 N -3.82 0.34 -0.44 8.37 -4.23 -1.26 -4.93 115.64 109.68 1uls s THR 88 Ca 0.39 -1.33 0.06 0.00 -1.18 0.00 0.00 61.69 59.63 1uls s THR 88 Cb 0.05 -0.88 0.22 0.00 1.34 0.00 0.00 72.50 73.23 1uls s THR 88 CO 0.18 -0.65 0.61 0.54 -0.54 0.00 0.00 174.62 174.77 1uls n ARG 89 N 0.95 0.59 -2.05 3.99 3.00 -1.26 -5.06 116.66 116.82 1uls n ARG 89 Ca -0.19 -2.63 -0.38 0.00 -0.01 0.00 0.00 57.85 54.64 1uls n ARG 89 Cb 0.57 -1.42 0.01 0.00 0.00 0.00 0.00 32.46 31.62 1uls n ARG 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1uls s ASP 90 N -0.75 5.97 0.00 0.55 1.01 -1.26 -4.91 116.67 117.28 1uls s ASP 90 Ca 0.33 2.56 0.00 0.00 0.71 0.00 0.00 52.55 56.15 1uls s ASP 90 Cb 0.13 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1uls s ASP 90 CO -0.16 -1.07 0.00 0.59 0.21 0.00 0.00 175.17 174.74 1uls n ASN 91 N -0.41 0.00 -4.75 0.27 3.02 0.30 -5.04 115.26 108.65 1uls n ASN 91 Ca 0.07 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.25 1uls n ASN 91 Cb 0.46 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.65 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 -1.37 2.44 0.41 3.10 0.40 -1.26 -4.14 117.98 117.56 1uls s PHE 92 Ca 0.00 1.48 0.17 0.00 -0.60 0.00 0.00 56.93 57.99 1uls s PHE 92 Cb 0.00 -3.55 1.07 0.00 0.51 0.00 0.00 43.02 41.05 1uls s PHE 92 CO 0.00 -2.28 1.83 1.12 0.70 0.00 0.00 175.22 176.59 1uls h HIS 93 N 1.23 0.59 0.00 0.36 2.07 -2.00 -1.09 115.15 116.32 1uls h HIS 93 Ca -0.50 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 1uls h HIS 93 Cb 1.29 -0.18 0.00 0.00 2.57 0.00 0.00 27.41 31.09 1uls h HIS 93 CO 0.47 0.13 0.00 -2.67 -3.07 0.00 0.00 177.93 172.80 1uls n TRP 94 N -4.54 0.49 -3.83 6.12 4.27 -1.26 -4.84 117.44 113.85 1uls n TRP 94 Ca 0.21 0.18 -0.33 0.00 -3.89 0.00 0.00 57.50 53.67 1uls n TRP 94 Cb 0.74 -0.80 -0.11 0.00 -1.36 0.00 0.00 31.31 29.77 1uls n TRP 94 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1uls s LYS 95 N -3.16 2.36 0.01 -2.67 2.20 -0.41 -5.18 119.74 112.88 1uls s LYS 95 Ca 0.07 -2.73 0.00 0.00 -0.36 0.00 0.00 55.97 52.95 1uls s LYS 95 Cb 0.10 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1uls s LYS 95 CO 0.38 -1.17 -0.02 -1.25 -0.36 0.00 0.00 175.35 172.94 1uls s PRO 97 N -0.43 0.15 0.26 4.03 0.04 -1.26 -4.87 135.00 132.92 1uls s PRO 97 Ca 0.19 -0.28 -0.01 0.00 0.04 0.00 0.00 61.00 60.93 1uls s PRO 97 Cb -0.20 0.04 0.54 0.00 0.04 0.00 0.00 34.50 34.91 1uls s PRO 97 CO -0.04 -0.02 1.74 1.25 0.04 0.00 0.00 177.00 179.97 1uls h LEU 98 N 5.47 0.40 -1.26 -3.56 6.46 -1.99 0.40 115.31 121.22 1uls h LEU 98 Ca -0.28 0.11 0.13 0.00 -0.12 0.00 0.00 57.88 57.72 1uls h LEU 98 Cb 1.21 0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 41.13 1uls h LEU 98 CO 0.46 0.14 0.57 1.05 -0.62 0.00 0.00 178.44 180.05 1uls h GLU 99 N 0.52 0.72 -0.13 1.25 4.11 -2.04 0.13 114.58 119.14 1uls h GLU 99 Ca 0.46 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.68 1uls h GLU 99 Cb 0.71 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1uls h GLU 99 CO -0.41 0.48 -0.62 -0.44 0.07 0.00 0.00 179.01 178.09 1uls h ASP 100 N 0.74 0.50 -0.08 3.06 5.19 -1.35 -1.15 116.42 123.33 1uls h ASP 100 Ca 0.44 -0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.53 1uls h ASP 100 Cb 0.64 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 1uls h ASP 100 CO -0.20 0.99 -0.06 -0.25 -3.12 0.00 0.00 179.24 176.61 1uls h TRP 101 N 0.32 0.22 -0.04 4.55 2.91 -0.51 -3.04 115.95 120.36 1uls h TRP 101 Ca -0.01 -0.06 -0.09 0.00 1.13 0.00 0.00 58.89 59.86 1uls h TRP 101 Cb 1.16 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.75 1uls h TRP 101 CO 0.04 0.58 -0.41 0.93 -1.03 0.00 0.00 178.44 178.55 1uls h GLU 102 N -0.20 0.09 -0.30 2.65 5.08 -0.82 -2.80 114.58 118.28 1uls h GLU 102 Ca 0.02 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1uls h GLU 102 Cb 0.53 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1uls h GLU 102 CO 0.02 0.49 -0.09 1.25 -1.00 0.00 0.00 179.01 179.68 1uls h LEU 103 N 0.08 0.59 -0.81 1.33 5.85 -1.22 -0.69 115.31 120.44 1uls h LEU 103 Ca 0.01 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.23 1uls h LEU 103 Cb 0.77 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1uls h LEU 103 CO 0.06 0.83 -0.49 -0.37 -0.34 0.00 0.00 178.44 178.13 1uls h VAL 104 N 0.35 1.34 -0.34 1.05 -1.51 -1.51 -1.38 116.25 114.26 1uls h VAL 104 Ca 0.07 -1.71 -0.12 0.00 -1.23 0.00 0.00 66.70 63.72 1uls h VAL 104 Cb 0.58 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 1uls h VAL 104 CO 0.03 0.51 -0.25 -0.07 -1.23 0.00 0.00 177.57 176.56 1uls h LEU 105 N 0.20 0.80 -0.13 4.19 3.38 -1.44 0.19 115.31 122.52 1uls h LEU 105 Ca 0.01 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1uls h LEU 105 Cb 0.94 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1uls h LEU 105 CO 0.08 1.07 0.07 -0.09 0.09 0.00 0.00 178.44 179.66 1uls h ARG 106 N 0.54 0.18 0.05 1.13 2.43 -0.96 -0.22 114.38 117.52 1uls h ARG 106 Ca 0.07 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1uls h ARG 106 Cb 0.81 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1uls h ARG 106 CO 0.07 0.18 -0.02 0.28 -1.51 0.00 0.00 179.97 178.97 1uls h VAL 107 N 0.12 1.33 0.03 0.20 2.07 -1.23 -1.65 116.25 117.11 1uls h VAL 107 Ca 0.05 -1.47 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 1uls h VAL 107 Cb 0.06 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1uls h VAL 107 CO -0.01 0.36 -0.18 0.78 0.02 0.00 0.00 177.57 178.54 1uls h ASN 108 N -0.74 0.11 0.00 0.57 2.35 -0.68 -3.06 115.58 114.12 1uls h ASN 108 Ca -0.01 -0.95 -0.00 0.00 -0.55 0.00 0.00 56.30 54.79 1uls h ASN 108 Cb 0.63 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 1uls h ASN 108 CO 0.01 1.05 -0.03 0.25 -1.65 0.00 0.00 177.43 177.06 1uls h LEU 109 N -0.81 0.00 -1.12 1.61 5.85 -1.19 -2.95 115.31 116.69 1uls h LEU 109 Ca -0.03 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 1uls h LEU 109 Cb 1.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1uls h LEU 109 CO 0.03 0.63 -0.35 0.74 -0.34 0.00 0.00 178.44 179.15 1uls h THR 110 N -1.00 1.28 -0.74 1.05 2.02 -1.17 -1.87 112.91 112.48 1uls h THR 110 Ca -0.00 -1.32 -0.05 0.00 0.77 0.00 0.00 66.41 65.81 1uls h THR 110 Cb 0.26 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1uls h THR 110 CO -0.00 0.39 0.28 1.23 0.37 0.00 0.00 175.52 177.79 1uls h GLY 111 N 1.12 1.19 1.65 2.16 0.00 -1.18 0.10 103.07 108.11 1uls h GLY 111 Ca 0.02 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.57 1uls h GLY 111 CO 0.05 0.62 -0.36 1.76 0.00 0.00 0.00 176.54 178.62 1uls h SER 112 N 1.07 0.41 -0.18 0.19 0.02 -1.27 -1.43 113.55 112.35 1uls h SER 112 Ca 0.24 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1uls h SER 112 Cb 0.23 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1uls h SER 112 CO -0.02 0.74 0.03 0.15 -1.14 0.00 0.00 176.83 176.59 1uls h PHE 113 N 0.34 0.32 -0.60 3.45 3.57 -0.66 0.29 116.94 123.65 1uls h PHE 113 Ca 0.04 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1uls h PHE 113 Cb 0.79 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1uls h PHE 113 CO 0.02 0.46 0.32 -0.07 -2.23 0.00 0.00 178.31 176.82 1uls h LEU 114 N 0.09 0.75 -0.22 0.59 3.38 -0.65 0.17 115.31 119.42 1uls h LEU 114 Ca 0.05 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1uls h LEU 114 Cb 0.32 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1uls h LEU 114 CO 0.00 0.63 -0.25 0.58 0.09 0.00 0.00 178.44 179.49 1uls h VAL 115 N 0.81 1.32 -0.62 1.22 2.07 -1.23 -2.21 116.25 117.61 1uls h VAL 115 Ca 0.21 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 1uls h VAL 115 Cb 0.05 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1uls h VAL 115 CO -0.03 0.44 0.18 0.00 0.02 0.00 0.00 177.57 178.18 1uls h ALA 116 N 0.65 0.82 -0.59 1.67 0.00 -0.76 0.44 119.26 121.48 1uls h ALA 116 Ca 0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1uls h ALA 116 Cb 0.81 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1uls h ALA 116 CO 0.06 0.50 0.16 -0.22 0.00 0.00 0.00 179.25 179.75 1uls h LYS 117 N 0.90 0.91 -0.35 0.00 3.64 -0.68 0.99 116.57 121.97 1uls h LYS 117 Ca 0.20 -0.19 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 1uls h LYS 117 Cb 0.32 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1uls h LYS 117 CO -0.00 0.80 -0.33 0.00 -2.27 0.00 0.00 179.45 177.65 1uls h ALA 118 N 1.30 0.52 -0.80 5.00 0.00 -0.94 -1.92 119.26 122.40 1uls h ALA 118 Ca 0.19 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1uls h ALA 118 Cb 0.29 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1uls h ALA 118 CO -0.00 0.58 0.34 0.00 0.00 0.00 0.00 179.25 180.17 1uls h ALA 119 N 0.75 1.04 -0.28 0.00 0.00 -0.43 -2.34 119.26 117.99 1uls h ALA 119 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1uls h ALA 119 Cb 0.92 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1uls h ALA 119 CO 0.08 0.64 0.11 1.03 0.00 0.00 0.00 179.25 181.12 1uls h SER 120 N 1.16 0.39 -0.15 0.00 0.87 -0.68 -3.05 113.55 112.08 1uls h SER 120 Ca 0.27 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1uls h SER 120 Cb 0.19 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1uls h SER 120 CO -0.03 0.45 -0.05 -0.08 -0.53 0.00 0.00 176.83 176.59 1uls h GLU 121 N 0.31 0.45 -0.11 2.24 4.22 -1.15 0.47 114.58 121.00 1uls h GLU 121 Ca 0.09 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1uls h GLU 121 Cb 0.18 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1uls h GLU 121 CO -0.01 0.52 0.00 0.00 -2.18 0.00 0.00 179.01 177.34 1uls n ALA 122 N -2.48 2.17 -0.70 2.92 0.00 -0.90 -4.98 120.51 116.54 1uls n ALA 122 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1uls n ALA 122 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.39 0.00 -0.72 0.00 0.63 0.16 -4.59 116.66 111.75 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 0.03 -0.23 0.00 0.00 0.45 0.00 0.00 32.46 32.70 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 0.74 0.00 -0.10 -0.14 1.02 -1.26 -4.82 120.64 116.08 1uls n GLU 125 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1uls n GLU 125 Cb 0.00 -2.51 -0.05 0.00 -0.02 0.00 0.00 31.44 28.86 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 0.50 -3.68 3.49 4.01 -1.26 -5.09 118.16 114.12 1uls n LYS 126 Ca 0.00 0.21 -0.10 0.00 -0.51 0.00 0.00 58.31 57.91 1uls n LYS 126 Cb 0.00 -1.36 -0.03 0.00 -0.51 0.00 0.00 35.03 33.13 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 -6.50 -0.34 0.88 4.39 4.22 -1.26 -5.16 114.94 111.17 1uls s ASN 127 Ca -0.30 -0.39 -0.12 0.00 -2.14 0.00 0.00 52.86 49.92 1uls s ASN 127 Cb 0.08 0.62 0.12 0.00 1.28 0.00 0.00 41.25 43.35 1uls s ASN 127 CO 0.41 -1.10 1.11 -2.16 -2.04 0.00 0.00 177.10 173.31 1uls s PRO 128 N -3.85 1.42 0.03 3.55 0.04 -1.26 -4.53 135.00 130.39 1uls s PRO 128 Ca 0.08 0.53 -0.07 0.00 0.04 0.00 0.00 61.00 61.57 1uls s PRO 128 Cb -0.02 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.69 1uls s PRO 128 CO -0.03 -2.06 0.33 0.41 0.04 0.00 0.00 177.00 175.69 1uls n GLY 129 N -1.86 0.84 3.02 0.56 0.00 -0.73 -4.84 105.19 102.19 1uls n GLY 129 Ca 0.07 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.75 0.17 -0.17 1.61 0.15 -0.73 -1.42 113.70 111.55 1uls s SER 130 Ca 0.08 0.57 -0.04 0.00 0.70 0.00 0.00 55.95 57.26 1uls s SER 130 Cb -0.01 0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 1uls s SER 130 CO 0.01 -0.22 -0.03 -0.63 1.20 0.00 0.00 173.24 173.57 1uls s ILE 131 N 2.06 3.88 -0.21 6.45 1.01 0.73 -1.88 121.20 133.24 1uls s ILE 131 Ca -0.02 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1uls s ILE 131 Cb -0.11 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.67 1uls s ILE 131 CO -0.09 0.48 -0.15 -0.69 0.00 0.00 0.00 174.94 174.49 1uls s VAL 132 N 0.54 2.26 -0.13 2.92 1.01 0.49 -1.43 120.40 126.07 1uls s VAL 132 Ca -0.03 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 1uls s VAL 132 Cb -0.14 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1uls s VAL 132 CO 0.03 0.32 0.02 -0.76 0.00 0.00 0.00 175.10 174.70 1uls s LEU 133 N 1.25 3.61 -0.27 3.92 1.43 0.36 -0.57 118.68 128.40 1uls s LEU 133 Ca 0.00 0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 1uls s LEU 133 Cb -0.16 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1uls s LEU 133 CO -0.09 0.28 0.22 -0.89 0.23 0.00 0.00 176.35 176.09 1uls s THR 134 N -0.28 5.30 0.00 5.49 2.01 -0.92 -0.98 115.64 126.26 1uls s THR 134 Ca 0.07 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1uls s THR 134 Cb -0.12 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1uls s THR 134 CO 0.02 0.26 0.00 0.00 -0.69 0.00 0.00 174.62 174.21 1uls n ALA 135 N 4.92 0.00 -3.60 7.40 0.00 0.90 -4.92 120.51 125.21 1uls n ALA 135 Ca -0.13 0.00 -0.06 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 -0.36 -0.21 0.57 0.00 0.15 -1.25 -4.51 113.70 108.10 1uls s SER 136 Ca 0.00 0.19 0.28 0.00 0.70 0.00 0.00 55.95 57.11 1uls s SER 136 Cb 0.00 0.18 1.50 0.00 -1.71 0.00 0.00 66.02 65.99 1uls s SER 136 CO 0.00 -0.22 1.97 -0.09 1.20 0.00 0.00 173.24 176.10 1uls h ARG 137 N 2.26 0.00 0.00 5.44 1.12 -1.30 -0.81 114.38 121.09 1uls h ARG 137 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 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 0.26 0.00 0.00 0.28 -3.11 0.00 0.00 179.97 177.40 1uls n VAL 138 N -3.95 1.09 0.25 0.20 0.31 -1.26 -2.62 118.33 112.36 1uls n VAL 138 Ca 0.07 0.48 0.17 0.00 -0.01 0.00 0.00 64.34 65.05 1uls n VAL 138 Cb 0.58 -1.42 0.88 0.00 -0.91 0.00 0.00 33.84 32.96 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 -0.05 3.52 -0.00 -1.36 0.35 116.97 119.43 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 0.15 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.88 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 -2.65 0.69 0.00 0.10 4.77 -1.08 -4.55 117.00 114.29 1uls n LEU 140 Ca -0.02 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1uls n LEU 140 Cb 0.06 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1uls n LEU 140 CO 0.15 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1uls n GLY 141 N 0.98 2.37 3.64 -0.72 0.00 0.12 -5.14 105.19 106.45 1uls n GLY 141 Ca 0.17 -1.60 -0.07 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.57 0.00 1.61 2.47 -1.26 -4.83 114.94 112.37 1uls s ASN 142 Ca 0.00 0.98 -0.38 0.00 0.42 0.00 0.00 52.86 53.88 1uls s ASN 142 Cb 0.00 1.12 -0.18 0.00 -1.45 0.00 0.00 41.25 40.74 1uls s ASN 142 CO 0.00 -0.16 1.32 0.18 -3.72 0.00 0.00 177.10 174.72 1uls n LEU 143 N 3.11 1.27 -0.17 3.21 4.77 -1.26 -1.46 117.00 126.47 1uls n LEU 143 Ca -0.16 1.13 -0.02 0.00 -0.03 0.00 0.00 56.01 56.93 1uls n LEU 143 Cb 0.57 -1.10 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 1uls n LEU 143 CO 0.02 -1.20 -0.02 0.61 -1.33 0.00 0.00 177.39 175.47 1uls n GLY 144 N 2.49 0.52 2.57 -0.72 0.00 -1.26 -4.91 105.19 103.88 1uls n GLY 144 Ca 0.20 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 1uls n GLY 144 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uls n GLN 145 N -2.04 2.24 -0.27 1.61 6.02 -0.53 -0.54 117.38 123.86 1uls n GLN 145 Ca -0.02 -3.67 0.06 0.00 -0.01 0.00 0.00 57.00 53.35 1uls n GLN 145 Cb 0.19 -1.77 0.20 0.00 1.02 0.00 0.00 30.24 29.87 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 2.45 1.16 -0.09 -1.58 0.00 -1.80 0.34 119.26 119.74 1uls h ALA 146 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1uls h ALA 146 Cb 1.35 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1uls h ALA 146 CO 0.34 -0.13 -0.05 -2.95 0.00 0.00 0.00 179.25 176.46 1uls h ASN 147 N 0.55 0.19 -0.06 0.00 -1.07 -1.91 -0.98 115.58 112.31 1uls h ASN 147 Ca 0.43 -0.43 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1uls h ASN 147 Cb 0.61 -0.05 -0.00 0.00 -2.07 0.00 0.00 38.32 36.80 1uls h ASN 147 CO -0.37 0.59 0.04 0.22 0.07 0.00 0.00 177.43 177.98 1uls h TYR 148 N -0.20 0.07 -0.85 4.14 3.20 -1.76 -0.51 116.97 121.07 1uls h TYR 148 Ca 0.02 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1uls h TYR 148 Cb 0.52 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1uls h TYR 148 CO 0.07 0.05 0.52 0.00 -1.64 0.00 0.00 178.16 177.16 1uls h ALA 149 N 1.01 1.32 -0.20 1.82 0.00 -0.38 -2.88 119.26 119.95 1uls h ALA 149 Ca 0.02 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1uls h ALA 149 Cb -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1uls h ALA 149 CO -0.00 0.59 -0.25 0.00 0.00 0.00 0.00 179.25 179.59 1uls h ALA 150 N 1.41 0.29 0.00 0.00 0.00 -0.94 -0.33 119.26 119.69 1uls h ALA 150 Ca 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1uls h ALA 150 Cb -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1uls h ALA 150 CO -0.06 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 1uls n SER 151 N -4.40 0.42 0.00 0.00 3.41 -0.22 -1.01 113.62 111.82 1uls n SER 151 Ca -0.05 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 1uls n SER 151 Cb 0.44 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.49 0.00 -0.24 7.33 0.00 -0.14 -1.89 120.51 126.06 1uls n ALA 153 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1uls n ALA 153 Cb 0.09 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.67 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 1.14 1.13 0.00 0.00 -1.31 -2.12 103.07 101.91 1uls h GLY 154 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 1uls h GLY 154 CO 0.00 0.55 0.14 -2.08 0.00 0.00 0.00 176.54 175.15 1uls h VAL 155 N 1.05 1.26 -0.56 4.60 2.07 -1.65 0.29 116.25 123.31 1uls h VAL 155 Ca 0.25 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1uls h VAL 155 Cb 0.15 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1uls h VAL 155 CO -0.03 0.37 0.32 0.58 0.02 0.00 0.00 177.57 178.83 1uls h VAL 156 N 1.02 1.18 -0.77 2.57 2.07 -1.76 0.59 116.25 121.15 1uls h VAL 156 Ca 0.21 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1uls h VAL 156 Cb 0.38 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1uls h VAL 156 CO 0.00 0.19 0.29 1.23 0.02 0.00 0.00 177.57 179.31 1uls h GLY 157 N 0.75 1.24 0.95 2.17 0.00 -0.88 -1.81 103.07 105.49 1uls h GLY 157 Ca 0.20 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1uls h GLY 157 CO -0.03 0.64 0.14 -2.00 0.00 0.00 0.00 176.54 175.28 1uls h LEU 158 N 1.12 0.32 -0.14 3.11 5.85 -0.43 -2.25 115.31 122.89 1uls h LEU 158 Ca 0.26 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1uls h LEU 158 Cb 0.23 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1uls h LEU 158 CO -0.02 0.31 -0.15 0.74 -0.34 0.00 0.00 178.44 178.98 1uls h THR 159 N 0.30 0.59 -0.73 1.05 2.02 -0.53 0.21 112.91 115.81 1uls h THR 159 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1uls h THR 159 Cb 0.06 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1uls h THR 159 CO -0.01 0.00 0.49 0.03 0.37 0.00 0.00 175.52 176.39 1uls h ARG 160 N -0.19 0.96 0.06 6.66 3.08 -1.20 0.20 114.38 123.94 1uls h ARG 160 Ca 0.10 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1uls h ARG 160 Cb 0.33 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1uls h ARG 160 CO -0.25 0.63 -0.03 1.15 -1.07 0.00 0.00 179.97 180.40 1uls h THR 161 N 0.98 1.23 -0.97 2.04 2.02 -0.78 -2.34 112.91 115.10 1uls h THR 161 Ca 0.27 -1.06 0.08 0.00 0.77 0.00 0.00 66.41 66.47 1uls h THR 161 Cb -0.10 1.91 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 1uls h THR 161 CO -0.06 0.26 0.63 -0.07 0.37 0.00 0.00 175.52 176.65 1uls h LEU 162 N -0.56 0.97 -0.89 2.58 4.07 -0.32 -0.25 115.31 120.91 1uls h LEU 162 Ca -0.01 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1uls h LEU 162 Cb 0.49 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 1uls h LEU 162 CO 0.01 0.59 0.55 0.00 -1.08 0.00 0.00 178.44 178.51 1uls h ALA 163 N 1.49 1.13 -0.54 1.53 0.00 -0.57 -0.28 119.26 122.03 1uls h ALA 163 Ca 0.44 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1uls h ALA 163 Cb 0.26 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1uls h ALA 163 CO -0.19 0.57 -0.08 -0.07 0.00 0.00 0.00 179.25 179.49 1uls h LEU 164 N 1.21 0.97 -0.07 0.00 3.38 -0.52 -1.77 115.31 118.52 1uls h LEU 164 Ca 0.32 -0.30 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 1uls h LEU 164 Cb -0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1uls h LEU 164 CO -0.06 1.07 -1.02 -0.33 0.09 0.00 0.00 178.44 178.19 1uls h GLU 165 N 0.88 0.15 0.00 1.13 5.08 -0.85 -3.34 114.58 117.63 1uls h GLU 165 Ca 0.14 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1uls h GLU 165 Cb 0.63 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1uls h GLU 165 CO 0.04 1.04 -0.94 1.28 -1.00 0.00 0.00 179.01 179.43 1uls n LEU 166 N -3.52 0.68 -0.24 1.33 4.77 -0.15 -4.57 117.00 115.30 1uls n LEU 166 Ca -0.04 -0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 55.75 1uls n LEU 166 Cb 0.91 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.95 1uls n LEU 166 CO 0.49 0.13 0.66 1.23 -1.33 0.00 0.00 177.39 178.57 1uls h GLY 167 N 4.77 0.18 2.00 -0.72 0.00 -1.38 0.15 103.07 108.07 1uls h GLY 167 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1uls h GLY 167 CO 0.00 -0.24 0.00 -0.96 0.00 0.00 0.00 176.54 175.34 1uls n ARG 168 N -5.46 0.08 -0.54 4.80 1.85 -1.26 -1.74 116.66 114.39 1uls n ARG 168 Ca 0.07 0.47 0.10 0.00 -1.00 0.00 0.00 57.85 57.49 1uls n ARG 168 Cb 0.37 -1.71 0.35 0.00 -1.05 0.00 0.00 32.46 30.41 1uls n ARG 168 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 1uls n TRP 169 N -1.87 1.33 -1.07 2.89 7.02 0.51 -4.92 117.44 121.32 1uls n TRP 169 Ca 0.01 -0.56 -0.02 0.00 -1.02 0.00 0.00 57.50 55.91 1uls n TRP 169 Cb 0.09 -0.17 -0.01 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 1.30 0.49 3.49 6.99 0.00 -0.71 -4.41 105.19 112.33 1uls n GLY 170 Ca 0.25 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.76 4.56 0.13 -0.61 1.01 -1.13 -1.77 121.20 121.63 1uls s ILE 171 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1uls s ILE 171 Cb 0.00 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 1uls s ILE 171 CO 0.00 0.33 0.33 -0.13 0.00 0.00 0.00 174.94 175.47 1uls s ARG 172 N 1.55 3.56 -0.04 2.79 0.52 -0.51 -3.63 118.95 123.19 1uls s ARG 172 Ca 0.06 -0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.04 1uls s ARG 172 Cb -0.15 -2.90 0.03 0.00 0.52 0.00 0.00 34.95 32.45 1uls s ARG 172 CO 0.05 0.50 0.04 0.08 0.02 0.00 0.00 175.30 175.99 1uls s VAL 173 N -1.64 -0.04 0.11 3.52 1.01 -1.26 -0.19 120.40 121.90 1uls s VAL 173 Ca 0.39 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.71 1uls s VAL 173 Cb -0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1uls s VAL 173 CO 0.26 0.16 -0.02 0.20 0.00 0.00 0.00 175.10 175.70 1uls s ASN 174 N 1.83 0.88 -0.02 3.32 0.01 -0.51 0.86 114.94 121.30 1uls s ASN 174 Ca 0.01 -1.08 0.04 0.00 -0.71 0.00 0.00 52.86 51.12 1uls s ASN 174 Cb -0.12 0.16 -0.01 0.00 0.41 0.00 0.00 41.25 41.69 1uls s ASN 174 CO -0.03 -0.56 -0.16 0.28 -1.51 0.00 0.00 177.10 175.12 1uls s THR 175 N -3.77 1.28 0.13 1.60 -1.32 0.57 -0.49 115.64 113.64 1uls s THR 175 Ca 0.16 -0.67 -0.10 0.00 -1.21 0.00 0.00 61.69 59.88 1uls s THR 175 Cb 0.06 -1.08 -0.06 0.00 -1.51 0.00 0.00 72.50 69.91 1uls s THR 175 CO -0.03 0.37 0.45 -0.76 -2.21 0.00 0.00 174.62 172.44 1uls s LEU 176 N -0.18 4.30 -0.48 9.08 1.43 -0.15 -0.73 118.68 131.94 1uls s LEU 176 Ca 0.02 0.84 0.07 0.00 -1.03 0.00 0.00 54.13 54.02 1uls s LEU 176 Cb -0.08 -3.23 0.23 0.00 0.03 0.00 0.00 46.19 43.13 1uls s LEU 176 CO 0.00 0.09 0.55 0.00 0.23 0.00 0.00 176.35 177.22 1uls n ALA 177 N 0.53 3.01 -1.04 4.21 0.00 0.12 -0.07 120.51 127.27 1uls n ALA 177 Ca -0.05 -3.80 -0.31 0.00 0.00 0.00 0.00 53.44 49.28 1uls n ALA 177 Cb 0.52 -0.84 0.13 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.35 1.60 0.00 0.00 0.04 -1.26 -2.18 135.00 131.85 1uls s PRO 178 Ca 0.35 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1uls s PRO 178 Cb 0.13 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1uls s PRO 178 CO -0.10 -2.13 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1uls n GLY 179 N -0.65 0.61 3.47 0.56 0.00 -0.32 -1.41 105.19 107.44 1uls n GLY 179 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 3.81 2.71 -0.13 1.61 5.36 -1.26 -4.90 117.98 125.17 1uls s PHE 180 Ca 0.00 -0.43 -0.04 0.00 -0.96 0.00 0.00 56.93 55.49 1uls s PHE 180 Cb 0.00 -4.21 -0.04 0.00 -0.34 0.00 0.00 43.02 38.43 1uls s PHE 180 CO 0.00 -1.56 0.03 0.42 -1.46 0.00 0.00 175.22 172.64 1uls s ILE 181 N 3.99 4.49 -0.40 3.12 -1.09 -1.26 -1.05 121.20 128.99 1uls s ILE 181 Ca 0.24 -0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 58.21 1uls s ILE 181 Cb -0.16 -2.96 0.02 0.00 -1.58 0.00 0.00 42.46 37.79 1uls s ILE 181 CO 0.12 0.54 1.11 -0.70 -1.23 0.00 0.00 174.94 174.78 1uls s GLU 182 N -0.23 3.89 0.33 2.79 2.56 -0.65 -4.78 118.70 122.61 1uls s GLU 182 Ca 0.06 0.80 0.06 0.00 0.00 0.00 0.00 54.97 55.90 1uls s GLU 182 Cb -0.12 -3.83 -0.02 0.00 2.00 0.00 0.00 34.13 32.16 1uls s GLU 182 CO 0.02 -1.15 0.31 0.95 -0.56 0.00 0.00 175.26 174.83 1uls s THR 183 N 4.07 0.00 0.00 -1.70 -4.23 -1.26 -4.54 115.64 107.98 1uls s THR 183 Ca 0.47 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1uls s THR 183 Cb -0.09 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1uls s THR 183 CO 0.24 0.00 0.00 -1.14 -0.54 0.00 0.00 174.62 173.18 1uls n ARG 184 N -0.61 0.00 0.00 3.99 0.63 -1.26 -2.78 116.66 116.63 1uls n ARG 184 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1uls n ARG 184 Cb 0.62 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 32.18 1uls n ARG 184 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1uls n THR 186 N 1.60 0.00 0.10 5.15 -2.24 -1.26 -4.48 114.28 113.15 1uls n THR 186 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1uls n THR 186 Cb 0.00 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 68.62 1uls n THR 186 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uls h ALA 187 N 0.00 1.53 0.00 6.98 0.00 -1.92 -2.58 119.26 123.27 1uls h ALA 187 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1uls h ALA 187 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1uls h ALA 187 CO 0.00 0.34 -0.04 0.87 0.00 0.00 0.00 179.25 180.42 1uls h LYS 188 N 0.27 0.00 -6.34 0.00 1.79 -1.91 -3.46 116.57 106.93 1uls h LYS 188 Ca 0.06 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.89 1uls h LYS 188 Cb 0.32 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.01 1uls h LYS 188 CO 0.02 0.04 0.78 0.28 -1.08 0.00 0.00 179.45 179.48 1uls n VAL 189 N -3.12 0.17 -1.95 0.50 0.31 -0.97 -4.90 118.33 108.36 1uls n VAL 189 Ca 0.02 -0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 63.94 1uls n VAL 189 Cb 0.44 -1.36 0.02 0.00 -0.91 0.00 0.00 33.84 32.02 1uls n VAL 189 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1uls s PRO 190 N 1.86 3.53 0.42 5.55 0.04 -1.26 -4.82 135.00 140.32 1uls s PRO 190 Ca 0.86 2.13 0.12 0.00 0.04 0.00 0.00 61.00 64.15 1uls s PRO 190 Cb -0.82 -2.45 0.96 0.00 0.04 0.00 0.00 34.50 32.24 1uls s PRO 190 CO 0.47 -0.84 1.98 0.93 0.04 0.00 0.00 177.00 179.58 1uls h GLU 191 N 1.97 0.47 0.00 4.56 4.39 -1.97 -0.22 114.58 123.77 1uls h GLU 191 Ca -0.50 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1uls h GLU 191 Cb 1.27 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1uls h GLU 191 CO 0.60 0.31 0.00 -0.22 -1.16 0.00 0.00 179.01 178.54 1uls h LYS 192 N 0.48 0.00 0.03 2.33 1.63 -2.00 -2.25 116.57 116.79 1uls h LYS 192 Ca 0.28 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.78 1uls h LYS 192 Cb 0.45 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 1uls h LYS 192 CO -0.08 0.00 -1.69 0.28 -3.45 0.00 0.00 179.45 174.51 1uls h VAL 193 N 0.00 0.89 -0.11 2.00 2.07 -1.46 -3.25 116.25 116.39 1uls h VAL 193 Ca 0.00 -2.71 -0.04 0.00 0.82 0.00 0.00 66.70 64.77 1uls h VAL 193 Cb 0.65 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1uls h VAL 193 CO 0.00 0.60 -0.09 -0.09 0.02 0.00 0.00 177.57 178.02 1uls h ARG 194 N 0.01 0.25 -0.69 1.57 2.43 -1.04 -2.00 114.38 114.92 1uls h ARG 194 Ca -0.28 -0.12 0.17 0.00 -0.81 0.00 0.00 59.98 58.93 1uls h ARG 194 Cb 2.00 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.51 1uls h ARG 194 CO 0.09 0.64 0.48 0.93 -1.51 0.00 0.00 179.97 180.60 1uls h GLU 195 N -0.13 0.20 0.06 0.20 5.08 -1.55 -1.17 114.58 117.26 1uls h GLU 195 Ca 0.02 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.10 1uls h GLU 195 Cb 0.58 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.80 1uls h GLU 195 CO 0.02 0.13 -1.11 -0.22 -1.00 0.00 0.00 179.01 176.83 1uls h LYS 196 N 0.20 0.53 -0.31 2.33 1.63 -1.50 -2.55 116.57 116.89 1uls h LYS 196 Ca 0.34 -0.65 -0.13 0.00 -0.85 0.00 0.00 60.65 59.36 1uls h LYS 196 Cb 1.03 0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1uls h LYS 196 CO -0.06 1.26 -0.32 0.00 -3.45 0.00 0.00 179.45 176.88 1uls h ALA 197 N 0.49 0.46 -0.48 5.00 0.00 -0.54 -2.92 119.26 121.27 1uls h ALA 197 Ca -0.14 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 1uls h ALA 197 Cb 1.77 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1uls h ALA 197 CO 0.20 0.50 0.00 0.82 0.00 0.00 0.00 179.25 180.78 1uls h ILE 198 N 0.53 1.24 0.00 0.00 2.04 -1.35 -2.32 117.51 117.66 1uls h ILE 198 Ca 0.05 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 1uls h ILE 198 Cb 0.90 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1uls h ILE 198 CO 0.08 0.35 -0.22 0.00 0.00 0.00 0.00 178.15 178.36 1uls h ALA 199 N 1.26 1.52 -0.25 1.87 0.00 -1.36 -0.79 119.26 121.49 1uls h ALA 199 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1uls h ALA 199 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1uls h ALA 199 CO 0.02 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1uls n ALA 200 N -2.44 2.48 -3.42 0.00 0.00 -0.89 -4.74 120.51 111.50 1uls n ALA 200 Ca -0.02 -0.52 -0.37 0.00 0.00 0.00 0.00 53.44 52.53 1uls n ALA 200 Cb 0.29 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.67 3.63 0.38 0.00 2.01 -0.30 -4.28 115.64 115.41 1uls s THR 201 Ca 0.25 -1.40 0.18 0.00 0.31 0.00 0.00 61.69 61.03 1uls s THR 201 Cb 0.13 -3.17 0.38 0.00 0.01 0.00 0.00 72.50 69.85 1uls s THR 201 CO 0.18 -0.32 1.70 -0.65 -0.69 0.00 0.00 174.62 174.84 1uls h PRO 202 N 8.19 0.33 0.00 4.92 0.11 -1.77 0.90 132.00 144.68 1uls h PRO 202 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1uls h PRO 202 Cb 1.07 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1uls h PRO 202 CO 0.64 0.22 0.00 1.28 -0.21 0.00 0.00 178.00 179.92 1uls n LEU 203 N -4.80 0.00 -3.01 2.35 4.77 -1.08 -4.91 117.00 110.31 1uls n LEU 203 Ca 0.30 0.06 -0.20 0.00 -0.03 0.00 0.00 56.01 56.14 1uls n LEU 203 Cb 1.00 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 1uls n LEU 203 CO 0.19 -0.01 -0.07 0.61 -1.33 0.00 0.00 177.39 176.78 1uls n GLY 204 N 0.64 -0.50 3.83 -0.72 0.00 0.31 -4.96 105.19 103.79 1uls n GLY 204 Ca 0.18 0.07 -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 -5.65 1.72 0.48 1.61 1.70 -1.26 -4.99 118.95 112.55 1uls s ARG 205 Ca 0.26 -0.98 -0.08 0.00 -0.47 0.00 0.00 55.73 54.45 1uls s ARG 205 Cb -0.13 0.56 -0.05 0.00 -0.57 0.00 0.00 34.95 34.76 1uls s ARG 205 CO 0.32 -0.79 0.83 0.00 -1.08 0.00 0.00 175.30 174.58 1uls s ALA 206 N -3.48 3.32 0.57 7.88 0.00 -1.26 -4.90 121.76 123.88 1uls s ALA 206 Ca 0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 1uls s ALA 206 Cb -0.05 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1uls s ALA 206 CO 0.07 -0.30 0.88 0.20 0.00 0.00 0.00 175.76 176.60 1uls s GLY 207 N -3.78 1.60 -0.00 0.00 0.00 -0.21 -4.89 107.32 100.03 1uls s GLY 207 Ca 0.50 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 44.56 1uls s GLY 207 CO 0.42 -0.44 -0.11 0.54 0.00 0.00 0.00 173.10 173.51 1uls s LYS 208 N -4.94 2.44 0.40 2.90 1.02 -1.26 -1.64 119.74 118.65 1uls s LYS 208 Ca 0.53 -0.77 0.14 0.00 0.02 0.00 0.00 55.97 55.89 1uls s LYS 208 Cb -0.10 -2.41 0.99 0.00 -0.52 0.00 0.00 37.83 35.79 1uls s LYS 208 CO 0.45 0.60 1.89 -1.00 -0.92 0.00 0.00 175.35 176.36 1uls h PRO 209 N 4.73 0.48 -0.61 -1.68 0.13 -1.93 0.05 132.00 133.17 1uls h PRO 209 Ca -0.48 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 64.68 1uls h PRO 209 Cb 1.16 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1uls h PRO 209 CO 0.51 0.32 0.40 1.25 -0.23 0.00 0.00 178.00 180.25 1uls h LEU 210 N 0.49 0.52 -1.05 1.56 6.46 -1.92 -0.55 115.31 120.81 1uls h LEU 210 Ca 0.42 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 58.10 1uls h LEU 210 Cb 0.89 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 1uls h LEU 210 CO -0.16 0.34 -0.19 -0.33 -0.62 0.00 0.00 178.44 177.48 1uls h GLU 211 N 0.59 0.45 -0.13 1.25 5.08 -1.39 -0.83 114.58 119.60 1uls h GLU 211 Ca 0.26 -0.15 -0.22 0.00 -1.00 0.00 0.00 59.36 58.25 1uls h GLU 211 Cb 0.27 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1uls h GLU 211 CO -0.08 0.63 -0.78 0.28 -1.00 0.00 0.00 179.01 178.05 1uls h VAL 212 N 0.41 1.28 -0.75 3.13 2.07 -1.13 -3.01 116.25 118.25 1uls h VAL 212 Ca 0.07 -1.99 0.06 0.00 0.82 0.00 0.00 66.70 65.66 1uls h VAL 212 Cb 0.57 2.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.33 1uls h VAL 212 CO 0.04 0.63 0.44 0.00 0.02 0.00 0.00 177.57 178.70 1uls h ALA 213 N 0.52 1.02 -0.43 1.67 0.00 -0.73 -0.86 119.26 120.45 1uls h ALA 213 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1uls h ALA 213 Cb 1.42 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1uls h ALA 213 CO 0.16 0.15 0.16 1.88 0.00 0.00 0.00 179.25 181.60 1uls h TYR 214 N 0.82 0.62 -0.53 0.00 0.99 -1.14 0.29 116.97 118.02 1uls h TYR 214 Ca 0.33 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.98 1uls h TYR 214 Cb 0.17 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 37.69 1uls h TYR 214 CO -0.06 0.50 0.11 0.00 -0.00 0.00 0.00 178.16 178.71 1uls h ALA 215 N 1.56 0.70 -0.29 3.88 0.00 -1.09 -1.52 119.26 122.51 1uls h ALA 215 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1uls h ALA 215 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1uls h ALA 215 CO -0.01 0.41 0.13 0.00 0.00 0.00 0.00 179.25 179.78 1uls h ALA 216 N 0.99 0.37 -0.22 0.00 0.00 -0.10 -1.99 119.26 118.31 1uls h ALA 216 Ca 0.16 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1uls h ALA 216 Cb 0.37 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1uls h ALA 216 CO 0.01 -0.06 -0.23 1.25 0.00 0.00 0.00 179.25 180.22 1uls h LEU 217 N 0.33 -0.72 0.05 0.00 6.46 -0.16 0.26 115.31 121.52 1uls h LEU 217 Ca 0.10 0.13 0.03 0.00 -0.12 0.00 0.00 57.88 58.02 1uls h LEU 217 Cb 0.13 0.34 -0.04 0.00 -0.73 0.00 0.00 40.66 40.36 1uls h LEU 217 CO -0.01 -0.27 -0.31 0.15 -0.62 0.00 0.00 178.44 177.39 1uls h PHE 218 N -0.24 -0.83 -0.58 1.25 3.57 -1.09 0.14 116.94 119.15 1uls h PHE 218 Ca 0.13 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1uls h PHE 218 Cb 0.44 0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 1uls h PHE 218 CO -0.37 -0.40 0.39 -0.07 -2.23 0.00 0.00 178.31 175.62 1uls h LEU 219 N -0.48 0.63 0.00 0.59 3.38 -0.91 -2.97 115.31 115.55 1uls h LEU 219 Ca 0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1uls h LEU 219 Cb 0.55 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1uls h LEU 219 CO -0.23 0.45 -0.94 0.25 0.09 0.00 0.00 178.44 178.06 1uls h LEU 220 N 0.74 0.00-10.43 1.67 6.46 -0.44 -3.45 115.31 109.86 1uls h LEU 220 Ca 0.22 0.00 -0.49 0.00 -0.12 0.00 0.00 57.88 57.49 1uls h LEU 220 Cb -0.02 0.00 0.10 0.00 -0.73 0.00 0.00 40.66 40.01 1uls h LEU 220 CO -0.05 0.59 0.36 -0.94 -0.62 0.00 0.00 178.44 177.77 1uls s SER 221 N -6.20 4.68 0.00 1.25 1.04 0.44 -4.79 113.70 110.12 1uls s SER 221 Ca 0.01 1.24 0.13 0.00 0.48 0.00 0.00 55.95 57.81 1uls s SER 221 Cb 0.08 -1.98 0.69 0.00 0.10 0.00 0.00 66.02 64.91 1uls s SER 221 CO 0.78 -1.84 1.32 0.47 0.98 0.00 0.00 173.24 174.95 1uls n ASP 222 N -3.34 0.00 0.10 7.02 8.00 -1.26 -2.63 116.55 124.44 1uls n ASP 222 Ca 0.07 0.01 0.12 0.00 0.71 0.00 0.00 54.79 55.70 1uls n ASP 222 Cb 0.57 -0.24 0.46 0.00 -0.02 0.00 0.00 41.12 41.89 1uls n ASP 222 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1uls n GLU 223 N -1.24 0.18 -0.62 -1.24 1.02 -1.26 -2.14 120.64 115.35 1uls n GLU 223 Ca 0.07 0.33 0.01 0.00 -0.02 0.00 0.00 57.16 57.55 1uls n GLU 223 Cb 0.09 -1.79 0.21 0.00 -0.02 0.00 0.00 31.44 29.93 1uls n GLU 223 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1uls n SER 224 N -2.13 2.65 -0.01 1.62 3.41 -1.08 -4.79 113.62 113.30 1uls n SER 224 Ca 0.03 -3.56 0.23 0.00 -0.26 0.00 0.00 58.87 55.32 1uls n SER 224 Cb 0.28 -0.58 0.72 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.42 4.04 4.64 -1.61 -0.42 113.55 120.84 1uls h SER 225 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1uls h SER 225 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1uls h SER 225 CO 0.26 0.00 0.00 0.33 -0.87 0.00 0.00 176.83 176.55 1uls n PHE 226 N -3.84 1.36 -4.06 4.77 7.35 -1.26 -4.92 117.46 116.86 1uls n PHE 226 Ca 0.12 -0.77 -0.33 0.00 -0.76 0.00 0.00 57.45 55.70 1uls n PHE 226 Cb 0.78 -0.35 -0.15 0.00 0.35 0.00 0.00 39.48 40.10 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 -2.57 2.40 0.00 -2.13 1.01 -0.17 -5.11 121.20 114.64 1uls s ILE 227 Ca 0.46 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 1uls s ILE 227 Cb 0.35 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.77 1uls s ILE 227 CO 0.14 0.44 0.33 0.28 0.00 0.00 0.00 174.94 176.13 1uls s THR 228 N 1.32 0.06 -0.76 2.92 -1.32 -1.26 -4.72 115.64 111.87 1uls s THR 228 Ca 0.04 -0.51 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 1uls s THR 228 Cb -0.14 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 1uls s THR 228 CO -0.10 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.64 1uls n GLY 229 N 1.02 0.92 3.89 6.08 0.00 0.25 -4.94 105.19 112.41 1uls n GLY 229 Ca -0.20 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.64 3.22 -0.27 1.61 -1.52 -1.25 -4.71 119.66 114.09 1uls s GLN 230 Ca 0.00 -0.74 -0.02 0.00 -1.95 0.00 0.00 55.36 52.65 1uls s GLN 230 Cb 0.00 -2.82 0.04 0.00 -0.22 0.00 0.00 33.01 30.01 1uls s GLN 230 CO 0.00 0.49 -0.03 0.08 -0.25 0.00 0.00 175.29 175.58 1uls s VAL 231 N -1.80 2.95 -0.41 1.09 1.01 -1.26 -0.32 120.40 121.67 1uls s VAL 231 Ca 0.33 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 1uls s VAL 231 Cb -0.10 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.73 1uls s VAL 231 CO 0.27 0.05 0.27 -0.22 0.00 0.00 0.00 175.10 175.47 1uls s LEU 232 N 1.29 5.03 0.06 3.92 2.96 0.09 -4.94 118.68 127.10 1uls s LEU 232 Ca -0.02 -1.11 -0.30 0.00 -0.22 0.00 0.00 54.13 52.48 1uls s LEU 232 Cb -0.18 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 1uls s LEU 232 CO -0.03 -0.47 1.07 -0.36 -1.32 0.00 0.00 176.35 175.24 1uls s PHE 233 N 1.58 3.60 -0.54 5.38 0.40 -1.26 -0.70 117.98 126.43 1uls s PHE 233 Ca 0.03 1.57 0.07 0.00 -0.60 0.00 0.00 56.93 57.99 1uls s PHE 233 Cb -0.21 -3.23 0.24 0.00 0.51 0.00 0.00 43.02 40.33 1uls s PHE 233 CO 0.07 -0.49 0.63 0.28 0.70 0.00 0.00 175.22 176.40 1uls n VAL 234 N 3.52 1.01 -1.58 -0.44 0.31 -0.93 -4.85 118.33 115.37 1uls n VAL 234 Ca 0.06 -4.66 0.02 0.00 -0.01 0.00 0.00 64.34 59.75 1uls n VAL 234 Cb 0.48 -2.03 0.03 0.00 -0.91 0.00 0.00 33.84 31.41 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 1.23 0.54 -2.33 4.52 3.85 -1.26 -1.18 116.55 121.93 1uls n ASP 235 Ca 0.26 -2.06 -0.21 0.00 -0.71 0.00 0.00 54.79 52.07 1uls n ASP 235 Cb 0.45 -0.20 -0.02 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 -0.30 -0.27 1.89 6.12 0.00 -1.26 -2.12 105.19 109.25 1uls n GLY 236 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.96 0.70 0.36 -0.02 0.00 -1.26 -2.65 105.19 101.36 1uls n GLY 237 Ca -0.24 0.00 0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 2.18 0.00 -0.12 1.61 9.65 -1.61 -1.67 114.38 124.42 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 -3.59 0.20 -0.03 0.20 5.66 -1.26 -4.49 114.28 110.98 1uls n THR 239 Ca 0.03 -0.60 -0.10 0.00 -3.05 0.00 0.00 64.05 60.33 1uls n THR 239 Cb 0.44 1.17 -0.04 0.00 -1.55 0.00 0.00 70.33 70.35 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 3.16 1.04 -2.20 1.09 2.04 -1.68 -3.43 117.51 117.53 1uls h ILE 240 Ca 0.00 -0.08 -0.61 0.00 1.00 0.00 0.00 64.86 65.17 1uls h ILE 240 Cb 0.71 0.81 -0.14 0.00 -0.74 0.00 0.00 36.82 37.46 1uls h ILE 240 CO 0.00 0.04 -0.75 -0.83 0.00 0.00 0.00 178.15 176.61 1uls s GLY 241 N -2.35 1.89 0.43 5.37 0.00 -1.26 -5.12 107.32 106.29 1uls s GLY 241 Ca -0.13 -1.88 -0.23 0.00 0.00 0.00 0.00 44.72 42.48 1uls s GLY 241 CO 0.69 -1.96 1.09 0.00 0.00 0.00 0.00 173.10 172.91 1uls s ALA 242 N -2.51 3.02 -0.27 3.20 0.00 -1.26 -4.93 121.76 119.01 1uls s ALA 242 Ca 0.30 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 1uls s ALA 242 Cb -0.05 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1uls s ALA 242 CO 0.15 -0.38 0.30 0.00 0.00 0.00 0.00 175.76 175.84 1uls s ALA 243 N -1.66 3.56 0.00 0.00 0.00 -1.26 -5.07 121.76 117.32 1uls s ALA 243 Ca 0.61 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1uls s ALA 243 Cb -0.23 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.28 1uls s ALA 243 CO 0.29 -0.57 0.00 -0.35 0.00 0.00 0.00 175.76 175.13 1uls n PRO 244 N 5.13 1.14 -0.47 0.00 -0.04 -1.26 -5.10 135.00 134.39 1uls n PRO 244 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1uls n PRO 244 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1uls n PRO 244 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46