#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pae n GLU 9 N 0.00 -0.03 -3.89 1.97 2.13 -1.25 -4.77 120.64 114.80 1pae n GLU 9 Ca 0.00 0.06 -0.11 0.00 0.66 0.00 0.00 57.16 57.77 1pae n GLU 9 Cb 0.00 -2.30 -0.12 0.00 0.27 0.00 0.00 31.44 29.29 1pae n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1pae s ARG 10 N -4.08 0.21 0.14 5.31 0.52 -1.26 -1.92 118.95 117.88 1pae s ARG 10 Ca 0.69 -0.18 0.07 0.00 -0.52 0.00 0.00 55.73 55.79 1pae s ARG 10 Cb -0.27 0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.25 1pae s ARG 10 CO 0.55 -0.04 -0.15 -0.08 0.02 0.00 0.00 175.30 175.61 1pae s THR 11 N -0.61 1.48 -0.17 0.02 -1.32 -1.05 -4.79 115.64 109.22 1pae s THR 11 Ca -0.07 -1.84 -0.08 0.00 -1.21 0.00 0.00 61.69 58.49 1pae s THR 11 Cb -0.04 -1.68 -0.04 0.00 -1.51 0.00 0.00 72.50 69.22 1pae s THR 11 CO 0.00 -0.43 0.12 0.12 -2.21 0.00 0.00 174.62 172.22 1pae s PHE 12 N -2.28 3.45 0.01 9.09 5.36 -1.26 -2.77 117.98 129.58 1pae s PHE 12 Ca 0.12 0.37 0.05 0.00 -0.96 0.00 0.00 56.93 56.51 1pae s PHE 12 Cb -0.04 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.56 1pae s PHE 12 CO 0.04 0.44 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.57 1pae s LEU 13 N -0.16 2.08 -0.08 6.12 2.01 -1.26 -1.89 118.68 125.50 1pae s LEU 13 Ca 0.10 -0.36 0.00 0.00 0.01 0.00 0.00 54.13 53.89 1pae s LEU 13 Cb -0.11 -0.78 0.02 0.00 0.01 0.00 0.00 46.19 45.32 1pae s LEU 13 CO 0.00 0.15 -0.07 0.00 1.01 0.00 0.00 176.35 177.45 1pae s ALA 14 N -0.54 1.03 -0.33 4.21 0.00 -1.26 -4.46 121.76 120.41 1pae s ALA 14 Ca 0.05 -0.32 -0.21 0.00 0.00 0.00 0.00 51.96 51.49 1pae s ALA 14 Cb -0.07 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.37 1pae s ALA 14 CO 0.00 -0.19 0.67 0.54 0.00 0.00 0.00 175.76 176.78 1pae s VAL 15 N 1.30 4.88 0.95 0.00 0.11 -0.09 -4.40 120.40 123.16 1pae s VAL 15 Ca -0.04 0.83 -0.13 0.00 -2.93 0.00 0.00 61.98 59.72 1pae s VAL 15 Cb -0.14 -4.06 0.16 0.00 -1.53 0.00 0.00 36.38 30.81 1pae s VAL 15 CO -0.03 -0.24 1.13 -0.54 -3.33 0.00 0.00 175.10 172.09 1pae s LYS 16 N 2.74 0.82 0.51 1.54 1.02 0.07 -2.28 119.74 124.15 1pae s LYS 16 Ca 0.27 0.32 0.19 0.00 0.02 0.00 0.00 55.97 56.77 1pae s LYS 16 Cb -0.14 -1.80 1.28 0.00 -0.52 0.00 0.00 37.83 36.65 1pae s LYS 16 CO 0.13 -2.42 2.10 -1.35 -0.92 0.00 0.00 175.35 172.89 1pae h PRO 17 N -1.66 0.00 -0.37 -1.68 0.11 -1.86 -1.69 132.00 124.85 1pae h PRO 17 Ca -0.52 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 1pae h PRO 17 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1pae h PRO 17 CO 0.60 0.08 -0.34 0.38 -0.21 0.00 0.00 178.00 178.50 1pae h ASP 18 N 0.00 0.88 -0.51 -2.05 2.03 -1.88 -1.31 116.42 113.59 1pae h ASP 18 Ca -0.00 -0.38 -0.02 0.00 -0.73 0.00 0.00 57.03 55.90 1pae h ASP 18 Cb 0.15 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 38.38 1pae h ASP 18 CO 0.01 1.14 0.23 1.23 -1.03 0.00 0.00 179.24 180.82 1pae h GLY 19 N 0.89 0.79 0.93 7.15 0.00 -1.48 -2.37 103.07 108.97 1pae h GLY 19 Ca 0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1pae h GLY 19 CO 0.08 0.38 0.11 -2.08 0.00 0.00 0.00 176.54 175.03 1pae h VAL 20 N 0.67 1.22 -0.18 4.60 2.07 -1.36 -2.43 116.25 120.85 1pae h VAL 20 Ca 0.17 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1pae h VAL 20 Cb 0.14 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1pae h VAL 20 CO -0.02 0.25 -0.06 0.00 0.02 0.00 0.00 177.57 177.76 1pae h ALA 21 N 0.95 1.57 -0.01 1.67 0.00 -1.23 -2.54 119.26 119.66 1pae h ALA 21 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pae h ALA 21 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pae h ALA 21 CO -0.00 0.32 0.00 0.54 0.00 0.00 0.00 179.25 180.10 1pae n ARG 22 N -4.32 1.56 -2.70 0.00 1.74 -0.90 -4.95 116.66 107.08 1pae n ARG 22 Ca -0.00 -0.81 -0.07 0.00 -0.77 0.00 0.00 57.85 56.20 1pae n ARG 22 Cb 0.23 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.21 1pae n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pae n GLY 23 N 1.15 0.32 0.62 -0.13 0.00 -0.96 -4.97 105.19 101.22 1pae n GLY 23 Ca 0.20 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1pae n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pae n LEU 24 N -2.07 2.50 0.13 0.99 4.32 -0.93 -4.74 117.00 117.20 1pae n LEU 24 Ca -0.04 -1.40 -0.13 0.00 -0.02 0.00 0.00 56.01 54.41 1pae n LEU 24 Cb 0.54 -0.11 -0.08 0.00 -1.62 0.00 0.00 43.42 42.15 1pae n LEU 24 CO 0.22 0.54 0.63 0.58 -1.22 0.00 0.00 177.39 178.14 1pae h VAL 25 N 2.52 0.83 -0.44 4.08 2.07 -1.89 -2.55 116.25 120.86 1pae h VAL 25 Ca 0.00 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 66.90 1pae h VAL 25 Cb 0.64 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1pae h VAL 25 CO 0.00 0.11 -0.15 1.23 0.02 0.00 0.00 177.57 178.78 1pae h GLY 26 N -0.59 0.88 0.46 2.17 0.00 -1.98 -1.94 103.07 102.07 1pae h GLY 26 Ca -0.03 -0.70 0.09 0.00 0.00 0.00 0.00 47.33 46.68 1pae h GLY 26 CO 0.05 0.64 0.28 -2.09 0.00 0.00 0.00 176.54 175.43 1pae h GLU 27 N 0.73 0.48 -0.04 4.80 4.57 -1.86 -0.69 114.58 122.57 1pae h GLU 27 Ca 0.11 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1pae h GLU 27 Cb 0.65 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1pae h GLU 27 CO 0.05 0.32 -0.14 0.82 -1.18 0.00 0.00 179.01 178.88 1pae h ILE 28 N 0.49 1.46 -0.74 2.32 2.04 -1.07 -2.63 117.51 119.39 1pae h ILE 28 Ca 0.31 -1.57 0.10 0.00 1.00 0.00 0.00 64.86 64.70 1pae h ILE 28 Cb 0.35 2.39 -0.07 0.00 -0.74 0.00 0.00 36.82 38.75 1pae h ILE 28 CO -0.27 0.43 0.38 0.40 0.00 0.00 0.00 178.15 179.08 1pae h ILE 29 N -0.40 0.85 -0.62 -0.67 2.04 -1.35 -2.57 117.51 114.80 1pae h ILE 29 Ca -0.01 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1pae h ILE 29 Cb 0.77 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1pae h ILE 29 CO 0.03 0.12 0.27 0.00 0.00 0.00 0.00 178.15 178.57 1pae h ALA 30 N 1.44 1.32 -0.97 1.87 0.00 -1.02 -1.59 119.26 120.31 1pae h ALA 30 Ca 0.36 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1pae h ALA 30 Cb 0.38 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1pae h ALA 30 CO -0.27 0.52 0.64 0.00 0.00 0.00 0.00 179.25 180.14 1pae h ARG 31 N 0.88 1.26 0.11 0.00 3.08 -1.08 -1.11 114.38 117.52 1pae h ARG 31 Ca 0.21 -0.08 -0.30 0.00 0.07 0.00 0.00 59.98 59.89 1pae h ARG 31 Cb 0.13 -0.29 0.03 0.00 0.08 0.00 0.00 29.97 29.92 1pae h ARG 31 CO -0.02 0.84 -1.23 1.88 -1.07 0.00 0.00 179.97 180.36 1pae h TYR 32 N 1.30 1.02 -0.84 3.04 0.05 -1.35 -2.95 116.97 117.24 1pae h TYR 32 Ca 0.36 -0.63 0.02 0.00 0.05 0.00 0.00 58.73 58.53 1pae h TYR 32 Cb -0.13 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.48 1pae h TYR 32 CO -0.00 1.47 0.55 0.93 -1.05 0.00 0.00 178.16 180.06 1pae h GLU 33 N 0.29 1.06 0.00 4.88 5.08 -1.22 -2.67 114.58 122.00 1pae h GLU 33 Ca -0.18 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 1pae h GLU 33 Cb 1.90 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 1pae h GLU 33 CO 0.24 0.70 -0.23 0.87 -1.00 0.00 0.00 179.01 179.59 1pae h LYS 34 N 1.10 0.00 0.00 2.33 1.57 -1.19 -2.39 116.57 117.99 1pae h LYS 34 Ca 0.32 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 1pae h LYS 34 Cb -0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1pae h LYS 34 CO -0.09 0.23 -0.15 -0.22 -0.57 0.00 0.00 179.45 178.64 1pae h LYS 35 N 0.00 0.00 0.00 3.15 1.63 -1.30 -3.48 116.57 116.57 1pae h LYS 35 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1pae h LYS 35 Cb 0.54 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1pae h LYS 35 CO 0.03 0.15 0.00 0.41 -3.45 0.00 0.00 179.45 176.59 1pae n GLY 36 N 0.67 0.81 3.80 5.01 0.00 -0.90 -5.10 105.19 109.48 1pae n GLY 36 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1pae n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pae s PHE 37 N -2.00 2.99 -0.11 1.61 0.08 -1.11 -4.96 117.98 114.48 1pae s PHE 37 Ca 0.00 1.56 -0.01 0.00 0.12 0.00 0.00 56.93 58.60 1pae s PHE 37 Cb 0.00 -3.06 -0.03 0.00 -0.57 0.00 0.00 43.02 39.37 1pae s PHE 37 CO 0.00 -0.90 -0.07 0.08 -0.10 0.00 0.00 175.22 174.23 1pae s VAL 38 N -2.08 3.60 -0.37 -0.44 1.01 -0.86 -4.42 120.40 116.84 1pae s VAL 38 Ca 0.67 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 1pae s VAL 38 Cb -0.16 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.72 1pae s VAL 38 CO 0.24 0.54 1.10 -0.22 0.00 0.00 0.00 175.10 176.76 1pae s LEU 39 N -0.10 3.84 0.00 3.92 2.96 -1.26 -0.89 118.68 127.15 1pae s LEU 39 Ca 0.01 0.88 0.07 0.00 -0.22 0.00 0.00 54.13 54.86 1pae s LEU 39 Cb -0.13 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1pae s LEU 39 CO 0.03 -1.00 0.54 1.33 -1.32 0.00 0.00 176.35 175.93 1pae n VAL 40 N 6.17 0.00 -3.68 1.68 0.24 -0.66 -4.97 118.33 117.11 1pae n VAL 40 Ca 0.12 -0.43 -0.14 0.00 -2.04 0.00 0.00 64.34 61.84 1pae n VAL 40 Cb 0.48 1.09 -0.08 0.00 -1.47 0.00 0.00 33.84 33.85 1pae n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1pae s GLY 41 N -1.04 -0.35 -0.30 7.63 0.00 -0.99 -2.29 107.32 109.98 1pae s GLY 41 Ca 0.06 1.03 -0.13 0.00 0.00 0.00 0.00 44.72 45.68 1pae s GLY 41 CO 0.17 0.79 0.84 -2.27 0.00 0.00 0.00 173.10 172.62 1pae s LEU 42 N -0.59 -0.83 0.00 0.66 2.96 -1.26 -2.38 118.68 117.24 1pae s LEU 42 Ca -0.07 1.15 -0.15 0.00 -0.22 0.00 0.00 54.13 54.84 1pae s LEU 42 Cb -0.03 1.96 0.02 0.00 0.50 0.00 0.00 46.19 48.64 1pae s LEU 42 CO 0.04 -0.16 0.32 -1.59 -1.32 0.00 0.00 176.35 173.64 1pae s LYS 43 N 2.59 0.72 -0.08 1.98 -2.85 -0.62 -5.00 119.74 116.48 1pae s LYS 43 Ca -0.04 -0.26 -0.13 0.00 -1.00 0.00 0.00 55.97 54.53 1pae s LYS 43 Cb -0.08 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 35.95 1pae s LYS 43 CO -0.18 -0.21 0.33 -1.14 0.10 0.00 0.00 175.35 174.25 1pae s GLN 44 N -1.65 3.98 0.07 1.78 0.74 -1.26 -1.06 119.66 122.25 1pae s GLN 44 Ca -0.11 0.22 -0.23 0.00 0.05 0.00 0.00 55.36 55.29 1pae s GLN 44 Cb -0.04 -3.30 0.06 0.00 1.10 0.00 0.00 33.01 30.83 1pae s GLN 44 CO 0.02 0.52 0.55 -0.48 -0.55 0.00 0.00 175.29 175.35 1pae s LEU 45 N -0.44 -0.23 -0.45 3.68 2.34 -0.64 -4.99 118.68 117.94 1pae s LEU 45 Ca 0.20 0.16 -0.19 0.00 0.06 0.00 0.00 54.13 54.36 1pae s LEU 45 Cb -0.15 2.27 0.03 0.00 -0.56 0.00 0.00 46.19 47.79 1pae s LEU 45 CO 0.09 -0.78 0.55 -0.69 -1.06 0.00 0.00 176.35 174.46 1pae s VAL 46 N -2.73 4.95 0.47 1.48 1.01 -1.26 -1.12 120.40 123.21 1pae s VAL 46 Ca -0.04 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 1pae s VAL 46 Cb -0.00 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 1pae s VAL 46 CO -0.04 -0.59 1.41 -2.84 0.00 0.00 0.00 175.10 173.05 1pae s PRO 47 N 2.46 3.56 0.34 2.72 0.02 -1.26 -4.99 135.00 137.86 1pae s PRO 47 Ca 0.16 2.38 -0.22 0.00 0.02 0.00 0.00 61.00 63.34 1pae s PRO 47 Cb -0.17 -2.57 -0.10 0.00 0.02 0.00 0.00 34.50 31.69 1pae s PRO 47 CO 0.15 -0.90 0.88 0.99 -0.33 0.00 0.00 177.00 177.78 1pae s THR 48 N -1.22 4.40 0.22 0.99 2.01 -1.26 -4.68 115.64 116.10 1pae s THR 48 Ca 0.63 1.50 -0.13 0.00 0.31 0.00 0.00 61.69 64.00 1pae s THR 48 Cb -0.43 -3.79 0.27 0.00 0.01 0.00 0.00 72.50 68.56 1pae s THR 48 CO 0.54 -0.05 1.60 0.11 -0.69 0.00 0.00 174.62 176.14 1pae h LYS 49 N 2.67 -0.03 0.00 4.92 1.79 -1.95 -1.94 116.57 122.03 1pae h LYS 49 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1pae h LYS 49 Cb 1.19 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1pae h LYS 49 CO 0.64 -0.02 0.00 0.38 -1.08 0.00 0.00 179.45 179.37 1pae h ASP 50 N -0.03 0.00 -0.16 0.86 3.04 -1.99 -1.43 116.42 116.71 1pae h ASP 50 Ca 0.34 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 54.04 1pae h ASP 50 Cb 0.55 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.84 1pae h ASP 50 CO -0.76 0.00 -0.23 0.25 -2.04 0.00 0.00 179.24 176.46 1pae h LEU 51 N 0.00 0.48 -0.49 0.15 5.85 -1.86 -2.73 115.31 116.72 1pae h LEU 51 Ca 0.00 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.23 1pae h LEU 51 Cb 0.84 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1pae h LEU 51 CO 0.00 0.90 0.27 0.00 -0.34 0.00 0.00 178.44 179.27 1pae h ALA 52 N 0.59 0.62 -0.47 1.25 0.00 -1.07 0.19 119.26 120.38 1pae h ALA 52 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1pae h ALA 52 Cb 0.79 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1pae h ALA 52 CO 0.05 -0.05 0.01 0.93 0.00 0.00 0.00 179.25 180.19 1pae h GLU 53 N 0.54 0.77 -0.40 0.00 5.08 -1.34 -0.98 114.58 118.25 1pae h GLU 53 Ca 0.20 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1pae h GLU 53 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1pae h GLU 53 CO -0.11 0.78 -0.14 0.77 -1.00 0.00 0.00 179.01 179.30 1pae h SER 54 N 0.73 0.82 -0.75 1.42 0.02 -1.18 -3.14 113.55 111.47 1pae h SER 54 Ca 0.14 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1pae h SER 54 Cb 0.43 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 1pae h SER 54 CO 0.02 1.02 0.47 -0.74 -1.14 0.00 0.00 176.83 176.46 1pae h HIS 55 N 0.61 0.96 -1.15 3.45 -0.00 -0.32 -2.49 115.15 116.22 1pae h HIS 55 Ca 0.10 0.01 -0.67 0.00 -0.00 0.00 0.00 60.37 59.80 1pae h HIS 55 Cb 0.68 -0.32 -0.31 0.00 -0.00 0.00 0.00 27.41 27.46 1pae h HIS 55 CO 0.05 0.63 0.62 0.66 -0.00 0.00 0.00 177.93 179.89 1pae n TYR 56 N -4.54 3.13 -0.00 5.26 4.01 -0.43 -4.73 117.16 119.86 1pae n TYR 56 Ca 0.07 -2.81 -0.08 0.00 -0.16 0.00 0.00 57.90 54.92 1pae n TYR 56 Cb 0.04 -1.21 0.08 0.00 -0.31 0.00 0.00 39.34 37.93 1pae n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pae h ALA 57 N 2.21 0.76 0.00 -0.72 0.00 -1.39 -2.80 119.26 117.33 1pae h ALA 57 Ca 0.56 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pae h ALA 57 Cb 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1pae h ALA 57 CO 1.43 0.67 0.00 -0.85 0.00 0.00 0.00 179.25 180.50 1pae n GLU 58 N -3.99 0.36 -0.13 0.00 0.00 -1.26 -2.31 120.64 113.32 1pae n GLU 58 Ca -0.02 0.07 0.04 0.00 0.00 0.00 0.00 57.16 57.25 1pae n GLU 58 Cb 0.56 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.62 1pae n GLU 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1pae n HIS 59 N -1.14 0.33 0.36 -1.84 8.25 -1.06 -4.81 115.22 115.32 1pae n HIS 59 Ca 0.10 -0.46 0.13 0.00 -0.26 0.00 0.00 57.72 57.23 1pae n HIS 59 Cb 0.09 -0.03 0.55 0.00 1.12 0.00 0.00 29.99 31.72 1pae n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1pae h LYS 60 N 1.59 0.00 -0.29 -0.41 2.10 -1.59 -2.49 116.57 115.49 1pae h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pae h LYS 60 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1pae h LYS 60 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 1pae n GLU 61 N -2.48 2.09 -3.88 0.07 4.71 -1.26 -4.90 120.64 114.99 1pae n GLU 61 Ca 0.02 -1.65 -0.21 0.00 -0.01 0.00 0.00 57.16 55.30 1pae n GLU 61 Cb 0.25 -1.44 -0.03 0.00 -1.01 0.00 0.00 31.44 29.20 1pae n GLU 61 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1pae s ARG 62 N -1.63 2.86 0.07 3.49 0.52 -0.94 -5.05 118.95 118.27 1pae s ARG 62 Ca 0.35 -1.16 -0.13 0.00 -0.52 0.00 0.00 55.73 54.26 1pae s ARG 62 Cb 0.20 -2.56 -0.24 0.00 0.52 0.00 0.00 34.95 32.87 1pae s ARG 62 CO 0.28 0.21 1.17 -1.00 0.02 0.00 0.00 175.30 175.98 1pae h PRO 63 N 1.29 0.65 -0.79 3.54 0.13 -1.90 -3.18 132.00 131.73 1pae h PRO 63 Ca -0.46 -0.75 0.00 0.00 -0.87 0.00 0.00 66.00 63.91 1pae h PRO 63 Cb 1.25 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1pae h PRO 63 CO 0.59 1.33 0.00 1.97 -0.23 0.00 0.00 178.00 181.65 1pae n PHE 64 N -3.82 0.00 0.14 1.56 -1.74 -1.26 -4.00 117.46 108.33 1pae n PHE 64 Ca -0.11 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.64 1pae n PHE 64 Cb 0.91 -0.08 -0.08 0.00 1.52 0.00 0.00 39.48 41.76 1pae n PHE 64 CO 0.00 0.00 0.00 0.35 -0.56 0.00 0.00 176.76 176.55 1pae h PHE 65 N 0.05 -0.25 0.00 2.97 3.57 -1.77 -3.25 116.94 118.26 1pae h PHE 65 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1pae h PHE 65 Cb 0.40 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1pae h PHE 65 CO 0.00 -0.14 -0.04 0.78 -2.23 0.00 0.00 178.31 176.69 1pae h GLY 66 N -0.29 0.00 0.72 2.40 0.00 -1.86 -2.87 103.07 101.17 1pae h GLY 66 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1pae h GLY 66 CO 0.05 0.00 -0.16 -1.33 0.00 0.00 0.00 176.54 175.10 1pae h GLY 67 N 0.17 -0.46 -0.22 4.60 0.00 -1.84 -1.49 103.07 103.82 1pae h GLY 67 Ca -0.00 0.17 0.18 0.00 0.00 0.00 0.00 47.33 47.68 1pae h GLY 67 CO 0.01 -0.17 0.16 1.41 0.00 0.00 0.00 176.54 177.94 1pae h LEU 68 N -0.73 -0.06 -0.13 3.11 -0.00 -1.57 -0.79 115.31 115.14 1pae h LEU 68 Ca -0.05 0.17 -0.06 0.00 -0.00 0.00 0.00 57.88 57.94 1pae h LEU 68 Cb 0.50 0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1pae h LEU 68 CO 0.07 -0.09 -0.15 0.58 -0.00 0.00 0.00 178.44 178.85 1pae h VAL 69 N 0.22 1.36 -0.46 1.22 2.07 -1.50 -1.90 116.25 117.26 1pae h VAL 69 Ca 0.45 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.68 1pae h VAL 69 Cb 0.81 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.47 1pae h VAL 69 CO -0.58 0.39 0.16 -1.28 0.02 0.00 0.00 177.57 176.28 1pae h SER 70 N -0.06 0.15 0.00 0.57 0.87 -0.95 -2.95 113.55 111.19 1pae h SER 70 Ca 0.02 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1pae h SER 70 Cb 0.70 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1pae h SER 70 CO 0.04 0.12 -0.00 0.15 -0.53 0.00 0.00 176.83 176.61 1pae h PHE 71 N 0.33 -0.00 0.00 2.24 3.57 -1.07 -2.99 116.94 119.01 1pae h PHE 71 Ca 0.22 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1pae h PHE 71 Cb 0.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1pae h PHE 71 CO -0.16 0.57 0.00 1.51 -2.23 0.00 0.00 178.31 178.00 1pae n ILE 72 N -4.82 1.54 0.72 1.41 3.06 -0.72 -1.74 119.36 118.82 1pae n ILE 72 Ca -0.09 0.41 0.08 0.00 -2.50 0.00 0.00 62.75 60.66 1pae n ILE 72 Cb 0.29 -1.31 0.05 0.00 0.54 0.00 0.00 39.64 39.20 1pae n ILE 72 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1pae n THR 73 N -1.56 0.00 1.17 9.51 -2.24 -1.12 -4.43 114.28 115.61 1pae n THR 73 Ca 0.01 -0.44 0.14 0.00 -2.27 0.00 0.00 64.05 61.49 1pae n THR 73 Cb 0.07 1.30 0.66 0.00 -2.10 0.00 0.00 70.33 70.27 1pae n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pae n SER 74 N 0.59 0.00 -3.40 3.42 3.41 -0.71 -4.80 113.62 112.13 1pae n SER 74 Ca 0.09 0.19 -0.02 0.00 -0.26 0.00 0.00 58.87 58.86 1pae n SER 74 Cb 0.40 -0.39 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1pae n SER 74 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1pae s GLY 75 N -2.79 0.11 0.43 5.00 0.00 -1.26 -5.12 107.32 103.69 1pae s GLY 75 Ca 0.20 -0.33 -0.25 0.00 0.00 0.00 0.00 44.72 44.34 1pae s GLY 75 CO 0.48 3.11 1.30 2.56 0.00 0.00 0.00 173.10 180.55 1pae s PRO 76 N -2.07 3.83 0.02 2.90 0.04 -1.26 -4.48 135.00 133.97 1pae s PRO 76 Ca 0.24 2.14 0.09 0.00 0.04 0.00 0.00 61.00 63.50 1pae s PRO 76 Cb -0.03 -2.65 -0.02 0.00 0.04 0.00 0.00 34.50 31.84 1pae s PRO 76 CO 0.05 -0.60 -0.26 0.08 0.04 0.00 0.00 177.00 176.31 1pae s VAL 77 N -1.30 2.05 -0.20 -0.36 1.01 -0.28 -3.91 120.40 117.42 1pae s VAL 77 Ca 0.60 -1.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1pae s VAL 77 Cb -0.38 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1pae s VAL 77 CO 0.48 0.45 -0.00 0.68 0.00 0.00 0.00 175.10 176.70 1pae s VAL 78 N -0.71 3.95 0.34 2.92 -7.23 -0.97 -1.62 120.40 117.08 1pae s VAL 78 Ca 0.11 -0.31 0.08 0.00 -1.81 0.00 0.00 61.98 60.04 1pae s VAL 78 Cb -0.10 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 1pae s VAL 78 CO 0.01 0.43 0.19 0.00 -0.31 0.00 0.00 175.10 175.42 1pae s ALA 79 N 0.98 3.61 -0.02 1.32 0.00 -0.23 -0.91 121.76 126.51 1pae s ALA 79 Ca 0.02 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.18 1pae s ALA 79 Cb -0.14 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.13 1pae s ALA 79 CO 0.02 0.02 0.06 0.54 0.00 0.00 0.00 175.76 176.40 1pae s VAL 81 N -2.39 -0.01 0.16 0.00 0.11 -1.00 -1.58 120.40 115.69 1pae s VAL 81 Ca 0.39 0.03 0.10 0.00 -2.93 0.00 0.00 61.98 59.56 1pae s VAL 81 Cb -0.03 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.67 1pae s VAL 81 CO 0.24 0.01 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.49 1pae s PHE 82 N 0.18 2.50 -0.07 1.54 0.08 -1.11 -1.65 117.98 119.44 1pae s PHE 82 Ca -0.01 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 56.78 1pae s PHE 82 Cb -0.02 -1.27 0.01 0.00 -0.57 0.00 0.00 43.02 41.17 1pae s PHE 82 CO -0.01 0.46 -0.14 -2.00 -0.10 0.00 0.00 175.22 173.44 1pae s GLU 83 N -2.52 1.82 0.00 0.44 2.12 -0.07 -2.52 118.70 117.97 1pae s GLU 83 Ca 0.21 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1pae s GLU 83 Cb -0.09 -1.49 0.00 0.00 0.26 0.00 0.00 34.13 32.81 1pae s GLU 83 CO 0.12 0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 1pae n GLY 84 N 3.74 -0.66 3.66 -1.50 0.00 -0.81 -2.02 105.19 107.60 1pae n GLY 84 Ca -0.22 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1pae n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pae s LYS 85 N -2.00 4.15 -1.52 1.61 2.20 -1.26 -2.43 119.74 120.49 1pae s LYS 85 Ca 0.00 2.54 -0.03 0.00 -0.36 0.00 0.00 55.97 58.12 1pae s LYS 85 Cb 0.00 -4.06 0.01 0.00 -1.51 0.00 0.00 37.83 32.28 1pae s LYS 85 CO 0.00 -0.92 0.30 0.41 -0.36 0.00 0.00 175.35 174.78 1pae n GLY 86 N 4.43 -0.51 0.25 5.54 0.00 -1.26 -4.89 105.19 108.75 1pae n GLY 86 Ca 0.19 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.35 1pae n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1pae h VAL 87 N -0.67 1.00 0.22 1.61 3.04 -1.79 -2.33 116.25 117.33 1pae h VAL 87 Ca -0.47 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 64.88 1pae h VAL 87 Cb 1.33 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 1pae h VAL 87 CO 0.54 0.09 -0.11 0.58 -1.01 0.00 0.00 177.57 177.66 1pae h VAL 88 N 0.00 0.83 -0.33 1.51 2.07 -1.87 -0.89 116.25 117.57 1pae h VAL 88 Ca -0.00 -0.78 -0.17 0.00 0.82 0.00 0.00 66.70 66.57 1pae h VAL 88 Cb 0.17 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1pae h VAL 88 CO 0.01 0.16 -0.45 0.00 0.02 0.00 0.00 177.57 177.31 1pae h ALA 89 N -0.11 0.56 -0.32 1.67 0.00 -1.89 -3.14 119.26 116.03 1pae h ALA 89 Ca -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1pae h ALA 89 Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1pae h ALA 89 CO 0.05 0.68 0.21 1.03 0.00 0.00 0.00 179.25 181.22 1pae h SER 90 N 0.70 0.37 -0.22 0.00 0.87 -1.48 -2.49 113.55 111.30 1pae h SER 90 Ca 0.04 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1pae h SER 90 Cb 1.05 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1pae h SER 90 CO 0.10 0.28 0.08 0.00 -0.53 0.00 0.00 176.83 176.77 1pae h ALA 91 N 1.11 1.60 -0.12 6.23 0.00 -1.14 -2.25 119.26 124.69 1pae h ALA 91 Ca 0.12 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1pae h ALA 91 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1pae h ALA 91 CO -0.02 0.31 -0.62 0.00 0.00 0.00 0.00 179.25 178.91 1pae h ARG 92 N 0.41 0.41 -0.89 0.00 3.08 -1.46 -2.00 114.38 113.93 1pae h ARG 92 Ca 0.10 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1pae h ARG 92 Cb 0.15 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1pae h ARG 92 CO -0.00 0.90 0.00 -0.11 -1.07 0.00 0.00 179.97 179.69 1pae n LEU 93 N -3.90 0.50 0.00 3.04 7.94 -0.85 -1.62 117.00 122.12 1pae n LEU 93 Ca -0.03 -0.25 0.00 0.00 -1.11 0.00 0.00 56.01 54.62 1pae n LEU 93 Cb 0.64 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1pae n LEU 93 CO 0.47 0.10 0.00 -0.38 -1.11 0.00 0.00 177.39 176.46 1pae n ILE 95 N 0.58 0.00 0.00 1.96 5.41 -0.75 -4.90 119.36 121.65 1pae n ILE 95 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1pae n ILE 95 Cb 0.10 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.03 1pae n ILE 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pae n GLY 96 N 0.00 0.13 3.73 7.39 0.00 -0.64 -1.68 105.19 114.13 1pae n GLY 96 Ca 0.00 -2.03 -0.25 0.00 0.00 0.00 0.00 46.02 43.74 1pae n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pae s VAL 97 N 0.00 2.30 0.19 1.61 -7.23 -1.26 -4.96 120.40 111.05 1pae s VAL 97 Ca 0.00 -1.73 -0.12 0.00 -1.81 0.00 0.00 61.98 58.32 1pae s VAL 97 Cb 0.00 -2.99 0.14 0.00 0.56 0.00 0.00 36.38 34.08 1pae s VAL 97 CO 0.00 -0.01 1.70 0.74 -0.31 0.00 0.00 175.10 177.22 1pae h THR 98 N 1.46 0.64 -3.54 5.32 2.02 -1.99 -3.36 112.91 113.46 1pae h THR 98 Ca -0.43 -0.06 -0.59 0.00 0.77 0.00 0.00 66.41 66.10 1pae h THR 98 Cb 1.25 0.44 -0.09 0.00 -1.74 0.00 0.00 68.15 68.01 1pae h THR 98 CO 0.71 0.03 0.65 0.21 0.37 0.00 0.00 175.52 177.49 1pae s ASN 99 N -5.28 6.65 0.38 4.18 2.47 -1.26 -4.72 114.94 117.36 1pae s ASN 99 Ca -0.13 0.49 0.06 0.00 0.42 0.00 0.00 52.86 53.70 1pae s ASN 99 Cb 0.16 -2.48 0.77 0.00 -1.45 0.00 0.00 41.25 38.26 1pae s ASN 99 CO 0.73 -0.95 2.00 -0.65 -3.72 0.00 0.00 177.10 174.51 1pae h PRO 100 N 8.68 0.68 -0.25 0.43 0.11 -1.86 -1.79 132.00 138.00 1pae h PRO 100 Ca -0.23 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.91 1pae h PRO 100 Cb 1.07 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1pae h PRO 100 CO 1.01 0.45 0.24 -0.07 -0.21 0.00 0.00 178.00 179.42 1pae h LEU 101 N 0.70 0.00 -0.46 2.35 4.07 -1.79 -2.42 115.31 117.76 1pae h LEU 101 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1pae h LEU 101 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1pae h LEU 101 CO -0.07 0.00 -0.52 0.00 -1.08 0.00 0.00 178.44 176.78 1pae n ALA 102 N -2.39 3.56 -1.78 1.53 0.00 -0.71 -4.97 120.51 115.75 1pae n ALA 102 Ca 0.03 -0.49 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 1pae n ALA 102 Cb 0.38 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 1pae n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pae s SER 103 N -2.15 6.07 0.28 0.00 0.01 -0.91 -4.95 113.70 112.05 1pae s SER 103 Ca 0.10 2.11 -0.18 0.00 1.31 0.00 0.00 55.95 59.29 1pae s SER 103 Cb 0.12 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 1pae s SER 103 CO 0.51 -0.98 0.76 0.00 0.41 0.00 0.00 173.24 173.94 1pae s ALA 104 N -1.78 3.34 0.15 1.44 0.00 -1.26 -4.49 121.76 119.16 1pae s ALA 104 Ca 0.68 0.16 -0.34 0.00 0.00 0.00 0.00 51.96 52.46 1pae s ALA 104 Cb -0.22 -2.84 -0.15 0.00 0.00 0.00 0.00 23.12 19.91 1pae s ALA 104 CO 0.26 0.31 1.47 -2.30 0.00 0.00 0.00 175.76 175.50 1pae n PRO 105 N 0.22 1.82 0.00 0.00 -0.02 -1.26 -1.50 135.00 134.27 1pae n PRO 105 Ca 0.01 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1pae n PRO 105 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1pae n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pae n GLY 106 N 2.95 1.52 3.88 -1.23 0.00 -1.26 -5.00 105.19 106.04 1pae n GLY 106 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1pae n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pae s SER 107 N -0.68 6.43 0.06 1.61 1.04 -0.56 -4.95 113.70 116.64 1pae s SER 107 Ca 0.00 1.20 -0.30 0.00 0.48 0.00 0.00 55.95 57.33 1pae s SER 107 Cb 0.00 -2.36 -0.18 0.00 0.10 0.00 0.00 66.02 63.58 1pae s SER 107 CO 0.00 -0.55 1.57 0.40 0.98 0.00 0.00 173.24 175.64 1pae h ILE 108 N 0.61 0.49 -0.22 -1.02 2.04 -1.86 -1.10 117.51 116.45 1pae h ILE 108 Ca -0.46 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.22 1pae h ILE 108 Cb 1.19 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1pae h ILE 108 CO 0.63 0.02 -0.21 0.03 0.00 0.00 0.00 178.15 178.61 1pae h ARG 109 N -0.74 0.39 -0.31 2.37 3.08 -1.66 -1.72 114.38 115.79 1pae h ARG 109 Ca -0.07 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 1pae h ARG 109 Cb 0.55 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1pae h ARG 109 CO 0.11 0.59 0.12 0.78 -1.07 0.00 0.00 179.97 180.50 1pae h GLY 110 N 0.96 0.46 0.89 0.04 0.00 -1.66 -0.42 103.07 103.34 1pae h GLY 110 Ca 0.06 -0.21 -0.33 0.00 0.00 0.00 0.00 47.33 46.85 1pae h GLY 110 CO 0.04 0.20 -1.79 -0.55 0.00 0.00 0.00 176.54 174.44 1pae h ASP 111 N 0.43 0.35 0.00 0.19 3.32 -0.97 -3.43 116.42 116.31 1pae h ASP 111 Ca 0.11 -0.65 -0.04 0.00 0.02 0.00 0.00 57.03 56.47 1pae h ASP 111 Cb 0.10 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1pae h ASP 111 CO -0.01 1.57 -1.24 0.49 -1.72 0.00 0.00 179.24 178.34 1pae n PHE 112 N -3.40 0.00 -3.94 4.55 3.72 -0.67 -5.08 117.46 112.64 1pae n PHE 112 Ca -0.24 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.91 1pae n PHE 112 Cb 1.05 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 39.42 1pae n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1pae s GLY 113 N -2.98 1.57 0.00 1.37 0.00 -0.17 -5.03 107.32 102.08 1pae s GLY 113 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1pae s GLY 113 CO 0.17 -1.08 0.00 1.55 0.00 0.00 0.00 173.10 173.74 1pae n VAL 114 N -0.80 0.00 -4.51 1.40 3.14 -1.26 -4.35 118.33 111.95 1pae n VAL 114 Ca -0.07 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.10 1pae n VAL 114 Cb 0.55 0.06 -0.15 0.00 -1.06 0.00 0.00 33.84 33.24 1pae n VAL 114 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1pae s ASP 115 N -0.34 1.37 0.23 6.55 2.15 -1.26 -4.51 116.67 120.86 1pae s ASP 115 Ca 0.00 -0.22 -0.07 0.00 0.43 0.00 0.00 52.55 52.69 1pae s ASP 115 Cb 0.00 -0.15 0.28 0.00 -0.30 0.00 0.00 42.92 42.75 1pae s ASP 115 CO 0.00 0.14 1.87 0.58 -0.17 0.00 0.00 175.17 177.59 1pae h VAL 116 N 4.84 1.10 0.00 1.11 2.07 -1.98 -1.46 116.25 121.94 1pae h VAL 116 Ca -0.33 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1pae h VAL 116 Cb 1.17 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1pae h VAL 116 CO 0.49 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.88 1pae n GLY 117 N -1.33 -1.35 2.64 2.17 0.00 -1.26 -3.73 105.19 102.33 1pae n GLY 117 Ca 0.11 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1pae n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pae n ARG 118 N -2.06 2.38 -0.99 1.61 5.12 -0.56 -4.91 116.66 117.25 1pae n ARG 118 Ca 0.04 -4.31 -0.08 0.00 -1.93 0.00 0.00 57.85 51.57 1pae n ARG 118 Cb 0.28 -2.03 0.27 0.00 -1.16 0.00 0.00 32.46 29.81 1pae n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1pae n ASN 119 N 0.01 4.28 0.00 0.55 6.94 -1.18 -4.39 115.26 121.47 1pae n ASN 119 Ca 0.29 -3.35 0.00 0.00 -0.02 0.00 0.00 54.58 51.50 1pae n ASN 119 Cb 0.49 -0.73 0.00 0.00 -2.36 0.00 0.00 39.78 37.17 1pae n ASN 119 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1pae n ILE 120 N -0.49 0.00 -3.36 1.53 5.41 -1.26 -4.89 119.36 116.31 1pae n ILE 120 Ca 0.42 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.17 1pae n ILE 120 Cb 1.36 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 40.29 1pae n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pae n ILE 121 N 0.00 0.00 -3.61 1.39 3.06 -1.26 -0.75 119.36 118.19 1pae n ILE 121 Ca 0.00 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.15 1pae n ILE 121 Cb 0.00 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.16 1pae n ILE 121 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1pae s GLY 123 N -0.76 -0.40 0.41 4.50 0.00 -1.26 -4.94 107.32 104.86 1pae s GLY 123 Ca 0.00 0.15 -0.27 0.00 0.00 0.00 0.00 44.72 44.61 1pae s GLY 123 CO 0.00 0.06 1.43 1.44 0.00 0.00 0.00 173.10 176.03 1pae n SER 124 N -0.41 3.43 -0.60 1.64 7.64 -0.79 -4.94 113.62 119.59 1pae n SER 124 Ca -0.11 1.17 0.13 0.00 1.01 0.00 0.00 58.87 61.07 1pae n SER 124 Cb 0.62 -1.59 0.30 0.00 -1.01 0.00 0.00 64.21 62.53 1pae n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1pae n ASP 125 N 0.21 1.97 -3.80 6.43 5.68 -1.26 -4.89 116.55 120.89 1pae n ASP 125 Ca 0.03 -1.57 -0.05 0.00 -0.50 0.00 0.00 54.79 52.71 1pae n ASP 125 Cb 0.40 0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.44 1pae n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1pae s SER 126 N -2.14 -0.21 0.30 -1.12 1.04 -1.26 -5.01 113.70 105.30 1pae s SER 126 Ca 0.30 -0.49 0.04 0.00 0.48 0.00 0.00 55.95 56.29 1pae s SER 126 Cb 0.20 0.59 0.48 0.00 0.10 0.00 0.00 66.02 67.39 1pae s SER 126 CO 0.38 -1.09 1.75 0.58 0.98 0.00 0.00 173.24 175.84 1pae h VAL 127 N 2.00 1.26 -0.16 5.02 2.07 -1.93 -1.92 116.25 122.60 1pae h VAL 127 Ca -0.22 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 65.99 1pae h VAL 127 Cb 1.24 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1pae h VAL 127 CO 0.24 0.39 -0.17 -0.33 0.02 0.00 0.00 177.57 177.73 1pae h GLU 128 N 0.35 0.39 -0.31 1.57 3.07 -1.98 -2.44 114.58 115.23 1pae h GLU 128 Ca 0.05 -0.21 0.06 0.00 -0.50 0.00 0.00 59.36 58.76 1pae h GLU 128 Cb 0.65 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.51 1pae h GLU 128 CO 0.05 0.77 -0.05 0.77 -1.40 0.00 0.00 179.01 179.14 1pae h SER 129 N 0.02 -0.24 -0.59 1.42 0.02 -1.95 -2.51 113.55 109.72 1pae h SER 129 Ca 0.02 0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 1pae h SER 129 Cb 0.70 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.35 1pae h SER 129 CO 0.04 -0.08 0.25 0.00 -1.14 0.00 0.00 176.83 175.90 1pae h ALA 130 N 1.30 0.76 -0.68 3.77 0.00 -1.22 0.68 119.26 123.87 1pae h ALA 130 Ca 0.15 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1pae h ALA 130 Cb 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1pae h ALA 130 CO -0.30 -0.15 0.16 -0.91 0.00 0.00 0.00 179.25 178.05 1pae h ASN 131 N 0.45 1.03 0.80 0.00 2.35 -1.31 0.99 115.58 119.89 1pae h ASN 131 Ca 0.28 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1pae h ASN 131 Cb 0.30 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.41 1pae h ASN 131 CO -0.26 0.99 -0.39 -0.09 -1.65 0.00 0.00 177.43 176.03 1pae h ARG 132 N 1.03 -1.04 -0.74 0.81 2.43 -0.95 -2.85 114.38 113.07 1pae h ARG 132 Ca 0.21 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.54 1pae h ARG 132 Cb 0.37 0.24 -0.07 0.00 -0.42 0.00 0.00 29.97 30.08 1pae h ARG 132 CO 0.00 -0.68 0.40 0.93 -1.51 0.00 0.00 179.97 179.11 1pae h GLU 133 N -1.13 0.67 -0.08 0.20 5.08 -0.80 -2.48 114.58 116.04 1pae h GLU 133 Ca -0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1pae h GLU 133 Cb 0.84 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1pae h GLU 133 CO 0.18 0.44 0.03 0.82 -1.00 0.00 0.00 179.01 179.48 1pae h ILE 134 N 0.69 1.16 0.00 3.13 2.04 -0.86 -2.26 117.51 121.42 1pae h ILE 134 Ca 0.35 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1pae h ILE 134 Cb 0.32 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1pae h ILE 134 CO -0.24 0.14 -0.07 0.00 0.00 0.00 0.00 178.15 177.99 1pae h ALA 135 N 0.84 1.27 0.21 1.87 0.00 -1.37 -1.77 119.26 120.31 1pae h ALA 135 Ca 0.03 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 1pae h ALA 135 Cb 0.20 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.01 1pae h ALA 135 CO -0.00 0.08 -1.25 1.25 0.00 0.00 0.00 179.25 179.33 1pae h LEU 136 N 0.00 0.70 0.00 0.00 6.46 -1.18 -3.37 115.31 117.92 1pae h LEU 136 Ca -0.00 -0.93 -0.11 0.00 -0.12 0.00 0.00 57.88 56.72 1pae h LEU 136 Cb 0.23 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1pae h LEU 136 CO 0.01 1.60 -1.15 -0.50 -0.62 0.00 0.00 178.44 177.78 1pae h TRP 137 N -0.05 0.00 -3.28 1.25 4.06 -1.32 -3.47 115.95 113.14 1pae h TRP 137 Ca -0.22 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.19 1pae h TRP 137 Cb 1.97 0.00 -0.38 0.00 -1.00 0.00 0.00 29.16 29.75 1pae h TRP 137 CO 0.15 0.40 -0.79 -0.06 -3.56 0.00 0.00 178.44 174.58 1pae s PHE 138 N -3.05 1.54 0.45 0.49 0.08 -0.67 -5.11 117.98 111.70 1pae s PHE 138 Ca -0.01 -0.92 -0.25 0.00 0.12 0.00 0.00 56.93 55.87 1pae s PHE 138 Cb 0.09 -1.24 -0.08 0.00 -0.57 0.00 0.00 43.02 41.21 1pae s PHE 138 CO 0.79 -0.57 1.38 1.63 -0.10 0.00 0.00 175.22 178.35 1pae n LYS 139 N 4.92 2.10 0.30 0.44 5.02 -1.26 -4.55 118.16 125.13 1pae n LYS 139 Ca -0.12 0.75 0.18 0.00 -2.02 0.00 0.00 58.31 57.11 1pae n LYS 139 Cb 0.48 -2.55 0.96 0.00 -0.02 0.00 0.00 35.03 33.90 1pae n LYS 139 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1pae h PRO 140 N 2.15 0.00 0.00 1.97 0.11 -1.95 -1.53 132.00 132.74 1pae h PRO 140 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pae h PRO 140 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1pae h PRO 140 CO 0.60 0.00 -0.15 -0.85 -0.21 0.00 0.00 178.00 177.39 1pae n GLU 141 N -3.20 0.11 0.01 1.05 0.00 -1.26 -3.16 120.64 114.19 1pae n GLU 141 Ca -0.01 0.07 0.14 0.00 0.00 0.00 0.00 57.16 57.36 1pae n GLU 141 Cb 0.27 -1.61 0.58 0.00 0.00 0.00 0.00 31.44 30.69 1pae n GLU 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1pae n GLU 142 N -1.78 0.03 -4.41 3.44 1.02 -0.58 -4.87 120.64 113.49 1pae n GLU 142 Ca 0.06 0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 56.88 1pae n GLU 142 Cb 0.38 -1.54 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 1pae n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pae s LEU 143 N -3.18 3.51 0.29 -4.62 1.43 -1.19 -4.64 118.68 110.28 1pae s LEU 143 Ca 0.14 0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 53.05 1pae s LEU 143 Cb 0.18 -1.80 -0.10 0.00 0.03 0.00 0.00 46.19 44.50 1pae s LEU 143 CO 0.54 0.36 1.36 -0.76 0.23 0.00 0.00 176.35 178.09 1pae s LEU 144 N -0.80 4.41 -0.25 1.79 1.02 -0.97 -4.95 118.68 118.93 1pae s LEU 144 Ca 0.12 2.66 -0.14 0.00 0.02 0.00 0.00 54.13 56.80 1pae s LEU 144 Cb -0.11 -3.64 -0.16 0.00 0.02 0.00 0.00 46.19 42.30 1pae s LEU 144 CO 0.02 -0.60 -0.13 0.35 0.02 0.00 0.00 176.35 176.00 1pae n THR 145 N 1.52 1.54 -3.35 5.49 -2.24 -1.26 -4.86 114.28 111.12 1pae n THR 145 Ca 0.03 -0.33 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 1pae n THR 145 Cb 0.41 -1.86 -0.09 0.00 -2.10 0.00 0.00 70.33 66.69 1pae n THR 145 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1pae s GLU 146 N -2.47 3.09 -0.19 -0.78 -1.05 -1.26 -5.06 118.70 110.97 1pae s GLU 146 Ca -0.35 -0.80 -0.07 0.00 -0.15 0.00 0.00 54.97 53.60 1pae s GLU 146 Cb 0.11 -3.96 -0.04 0.00 -0.44 0.00 0.00 34.13 29.80 1pae s GLU 146 CO 0.55 -0.81 0.07 0.08 0.95 0.00 0.00 175.26 176.09 1pae s VAL 147 N 2.03 4.76 -0.30 1.83 1.01 -1.26 -5.08 120.40 123.38 1pae s VAL 147 Ca 0.10 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1pae s VAL 147 Cb -0.17 -3.15 0.09 0.00 0.00 0.00 0.00 36.38 33.14 1pae s VAL 147 CO 0.13 0.44 0.01 -0.54 0.00 0.00 0.00 175.10 175.14 1pae s LYS 148 N 0.53 1.55 0.24 2.72 1.02 -1.26 -5.12 119.74 119.43 1pae s LYS 148 Ca 0.03 -1.53 -0.03 0.00 0.02 0.00 0.00 55.97 54.47 1pae s LYS 148 Cb -0.13 -2.89 -0.05 0.00 -0.52 0.00 0.00 37.83 34.25 1pae s LYS 148 CO 0.01 -0.82 0.46 -1.25 -0.92 0.00 0.00 175.35 172.83 1pae s PRO 149 N 1.11 3.57 -0.10 -1.68 0.04 -1.26 -5.05 135.00 131.63 1pae s PRO 149 Ca 0.04 -0.19 -0.18 0.00 0.04 0.00 0.00 61.00 60.71 1pae s PRO 149 Cb -0.19 -2.75 -0.08 0.00 0.04 0.00 0.00 34.50 31.51 1pae s PRO 149 CO -0.09 0.32 0.56 -1.71 0.04 0.00 0.00 177.00 176.11 1pae n ASN 150 N -0.80 0.24 0.00 6.66 2.85 -1.26 -4.84 115.26 118.11 1pae n ASN 150 Ca -0.03 0.49 0.10 0.00 -0.11 0.00 0.00 54.58 55.04 1pae n ASN 150 Cb 0.54 -0.38 0.46 0.00 1.24 0.00 0.00 39.78 41.64 1pae n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1pae n PRO 151 N 1.13 0.00 -0.02 1.20 -0.04 -1.26 -3.05 135.00 132.97 1pae n PRO 151 Ca 0.11 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.77 1pae n PRO 151 Cb 0.01 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.38 1pae n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pae n ASN 152 N -1.50 0.27 -0.10 3.54 3.02 -1.26 -3.95 115.26 115.28 1pae n ASN 152 Ca 0.05 -1.58 -0.13 0.00 -0.03 0.00 0.00 54.58 52.89 1pae n ASN 152 Cb 0.25 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.31 1pae n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1pae n LEU 153 N -0.55 2.93 -4.52 3.41 4.77 -1.17 -5.01 117.00 116.86 1pae n LEU 153 Ca 0.12 -0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 1pae n LEU 153 Cb 0.09 -0.66 -0.11 0.00 -2.33 0.00 0.00 43.42 40.42 1pae n LEU 153 CO 0.09 0.82 -0.46 -0.31 -1.33 0.00 0.00 177.39 176.20 1pae s TYR 154 N -2.39 2.59 -2.84 -1.77 2.02 -1.25 -5.16 117.35 108.55 1pae s TYR 154 Ca -0.26 -0.23 0.25 0.00 -0.37 0.00 0.00 57.07 56.46 1pae s TYR 154 Cb 0.07 -1.35 0.47 0.00 -0.40 0.00 0.00 41.96 40.74 1pae s TYR 154 CO 0.45 0.42 1.42 -0.85 -1.57 0.00 0.00 175.55 175.42