#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmf s THR 4 N 0.00 2.23 0.14 -5.08 -4.23 -1.26 -4.80 115.64 102.64 3dmf s THR 4 Ca 0.00 0.08 -0.16 0.00 -1.18 0.00 0.00 61.69 60.43 3dmf s THR 4 Cb 0.00 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.39 3dmf s THR 4 CO 0.00 -0.10 1.76 0.03 -0.54 0.00 0.00 174.62 175.77 3dmf h ARG 5 N -1.95 0.57 -0.96 3.99 3.08 -1.97 -0.66 114.38 116.48 3dmf h ARG 5 Ca -0.54 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 59.48 3dmf h ARG 5 Cb 1.31 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 3dmf h ARG 5 CO 0.54 0.45 0.63 1.49 -1.07 0.00 0.00 179.97 182.01 3dmf h GLU 6 N 0.53 1.20 -0.60 0.04 4.22 -1.97 -1.68 114.58 116.31 3dmf h GLU 6 Ca 0.14 -0.07 -0.10 0.00 0.08 0.00 0.00 59.36 59.41 3dmf h GLU 6 Cb 0.05 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 3dmf h GLU 6 CO -0.02 0.79 -0.02 0.00 -2.18 0.00 0.00 179.01 177.58 3dmf h ALA 7 N 1.39 0.82 -0.65 2.92 0.00 -1.86 -0.46 119.26 121.43 3dmf h ALA 7 Ca 0.38 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3dmf h ALA 7 Cb -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3dmf h ALA 7 CO -0.11 0.67 0.39 -0.92 0.00 0.00 0.00 179.25 179.28 3dmf h TYR 8 N 0.98 0.73 -0.00 0.00 3.20 -0.61 -2.90 116.97 118.36 3dmf h TYR 8 Ca 0.17 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3dmf h TYR 8 Cb 0.58 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3dmf h TYR 8 CO 0.04 0.40 -0.21 0.72 -1.64 0.00 0.00 178.16 177.47 3dmf n HIS 9 N -4.73 0.00 -2.42 -3.82 8.25 -0.68 -4.15 115.22 107.67 3dmf n HIS 9 Ca 0.07 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.12 3dmf n HIS 9 Cb 0.11 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 3dmf n HIS 9 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3dmf s ARG 10 N -2.62 4.56 -0.26 -0.41 3.52 -0.20 -5.02 118.95 118.52 3dmf s ARG 10 Ca 0.23 1.84 -0.11 0.00 -0.13 0.00 0.00 55.73 57.57 3dmf s ARG 10 Cb 0.19 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 30.32 3dmf s ARG 10 CO 0.53 0.06 0.18 -0.51 -0.81 0.00 0.00 175.30 174.75 3dmf s LEU 11 N -0.88 4.06 -0.17 -0.88 1.43 -1.26 -4.55 118.68 116.43 3dmf s LEU 11 Ca 0.48 0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 3dmf s LEU 11 Cb -0.32 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.79 3dmf s LEU 11 CO 0.39 0.00 -0.14 -0.89 0.23 0.00 0.00 176.35 175.94 3dmf s THR 12 N 1.45 2.69 0.03 5.49 2.01 -0.21 -4.93 115.64 122.17 3dmf s THR 12 Ca 0.07 -0.75 -0.27 0.00 0.31 0.00 0.00 61.69 61.05 3dmf s THR 12 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 3dmf s THR 12 CO 0.08 0.50 0.87 -2.16 -0.69 0.00 0.00 174.62 173.22 3dmf s PRO 13 N 1.05 4.55 0.04 4.92 0.04 -1.26 -1.14 135.00 143.21 3dmf s PRO 13 Ca -0.01 1.23 0.05 0.00 0.04 0.00 0.00 61.00 62.31 3dmf s PRO 13 Cb -0.15 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 3dmf s PRO 13 CO -0.04 0.13 -0.09 -0.51 0.04 0.00 0.00 177.00 176.53 3dmf s LEU 14 N 0.43 3.05 0.40 -3.56 1.43 0.17 -4.87 118.68 115.73 3dmf s LEU 14 Ca 0.44 -0.26 -0.24 0.00 -1.03 0.00 0.00 54.13 53.04 3dmf s LEU 14 Cb -0.21 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.13 3dmf s LEU 14 CO 0.25 0.24 1.03 -2.16 0.23 0.00 0.00 176.35 175.95 3dmf s PRO 15 N -1.68 4.19 0.09 1.29 0.04 -1.26 -0.92 135.00 136.75 3dmf s PRO 15 Ca 0.18 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 3dmf s PRO 15 Cb -0.11 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 3dmf s PRO 15 CO 0.09 -0.11 0.07 -3.38 0.04 0.00 0.00 177.00 173.72 3dmf s HIS 16 N -1.70 0.54 -0.02 0.56 -3.43 -0.95 -4.90 115.29 105.38 3dmf s HIS 16 Ca 0.58 -0.99 -0.35 0.00 -0.80 0.00 0.00 55.06 53.50 3dmf s HIS 16 Cb -0.21 -0.32 -0.13 0.00 -1.43 0.00 0.00 32.58 30.50 3dmf s HIS 16 CO 0.26 -0.49 1.75 -2.30 -2.00 0.00 0.00 174.74 171.96 3dmf n PRO 17 N -0.02 2.03 -0.33 -0.38 -0.02 -1.26 -1.11 135.00 133.91 3dmf n PRO 17 Ca -0.11 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3dmf n PRO 17 Cb 0.62 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3dmf n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dmf n GLY 18 N 4.00 1.54 0.00 -1.23 0.00 -1.26 -4.95 105.19 103.29 3dmf n GLY 18 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3dmf n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dmf n GLY 19 N -2.00 1.89 3.24 -0.02 0.00 -0.27 -5.18 105.19 102.85 3dmf n GLY 19 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 3dmf n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dmf s ARG 20 N 1.40 0.85 -0.04 1.61 1.70 -1.26 -2.24 118.95 120.96 3dmf s ARG 20 Ca 0.00 -0.71 -0.01 0.00 -0.47 0.00 0.00 55.73 54.53 3dmf s ARG 20 Cb 0.00 0.36 0.03 0.00 -0.57 0.00 0.00 34.95 34.77 3dmf s ARG 20 CO 0.00 -0.28 0.08 -1.17 -1.08 0.00 0.00 175.30 172.85 3dmf s LEU 21 N -2.47 0.73 0.14 -1.89 2.96 -0.10 -4.92 118.68 113.13 3dmf s LEU 21 Ca -0.00 0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 53.77 3dmf s LEU 21 Cb 0.02 0.10 -0.07 0.00 0.50 0.00 0.00 46.19 46.74 3dmf s LEU 21 CO -0.08 -0.16 0.97 -0.36 -1.32 0.00 0.00 176.35 175.41 3dmf s PHE 22 N 1.36 3.82 0.31 5.38 0.08 -1.26 -0.66 117.98 127.00 3dmf s PHE 22 Ca -0.06 1.80 0.04 0.00 0.12 0.00 0.00 56.93 58.83 3dmf s PHE 22 Cb -0.12 -3.07 -0.06 0.00 -0.57 0.00 0.00 43.02 39.20 3dmf s PHE 22 CO -0.04 0.15 0.03 0.96 -0.10 0.00 0.00 175.22 176.21 3dmf s ILE 23 N -0.23 1.29 0.15 0.64 -4.36 -0.29 -4.72 121.20 113.68 3dmf s ILE 23 Ca 0.46 -2.03 -0.19 0.00 -0.26 0.00 0.00 60.65 58.63 3dmf s ILE 23 Cb -0.24 -2.68 0.05 0.00 1.25 0.00 0.00 42.46 40.84 3dmf s ILE 23 CO 0.31 -0.10 0.50 -1.59 0.24 0.00 0.00 174.94 174.30 3dmf s LYS 24 N -3.85 1.21 0.39 0.37 -2.85 -1.26 -1.04 119.74 112.70 3dmf s LYS 24 Ca 0.34 -0.64 -0.27 0.00 -1.00 0.00 0.00 55.97 54.40 3dmf s LYS 24 Cb 0.07 0.53 -0.11 0.00 -2.06 0.00 0.00 37.83 36.26 3dmf s LYS 24 CO 0.14 -0.51 1.29 -2.30 0.10 0.00 0.00 175.35 174.08 3dmf n PRO 25 N -0.31 2.07 -0.80 1.78 -0.02 -1.26 -2.66 135.00 133.80 3dmf n PRO 25 Ca -0.15 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3dmf n PRO 25 Cb 0.64 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3dmf n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dmf n GLY 26 N 0.77 0.96 3.70 -1.23 0.00 -1.26 -4.94 105.19 103.18 3dmf n GLY 26 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3dmf n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmf s ALA 27 N -3.62 3.57 0.69 4.61 0.00 -1.09 -4.79 121.76 121.13 3dmf s ALA 27 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 3dmf s ALA 27 Cb 0.00 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 21.10 3dmf s ALA 27 CO 0.00 0.21 1.11 1.03 0.00 0.00 0.00 175.76 178.11 3dmf s ARG 28 N 0.24 2.63 0.00 0.00 0.52 -1.26 -4.38 118.95 116.70 3dmf s ARG 28 Ca 0.06 1.33 0.00 0.00 -0.52 0.00 0.00 55.73 56.60 3dmf s ARG 28 Cb -0.12 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.42 3dmf s ARG 28 CO -0.01 -1.37 0.00 0.41 0.02 0.00 0.00 175.30 174.35 3dmf n GLY 29 N -0.71 0.68 3.59 -3.53 0.00 -1.26 -1.64 105.19 102.32 3dmf n GLY 29 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3dmf n GLY 29 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dmf s TYR 30 N -2.00 3.20 -1.55 1.61 5.04 -1.26 -4.36 117.35 118.03 3dmf s TYR 30 Ca 0.00 -0.04 -0.15 0.00 -2.44 0.00 0.00 57.07 54.44 3dmf s TYR 30 Cb 0.00 -2.09 0.11 0.00 0.35 0.00 0.00 41.96 40.33 3dmf s TYR 30 CO 0.00 0.05 0.82 0.54 -1.34 0.00 0.00 175.55 175.62 3dmf n ARG 31 N 3.76 -4.31 -3.60 4.97 1.74 -1.26 -4.95 116.66 113.00 3dmf n ARG 31 Ca -0.17 0.50 -0.40 0.00 -0.77 0.00 0.00 57.85 57.02 3dmf n ARG 31 Cb 0.52 -5.31 -0.11 0.00 -1.02 0.00 0.00 32.46 26.54 3dmf n ARG 31 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3dmf s ASP 32 N -3.17 5.73 0.52 0.55 -1.08 -1.26 -4.98 116.67 112.98 3dmf s ASP 32 Ca 0.64 -0.66 0.25 0.00 -0.52 0.00 0.00 52.55 52.26 3dmf s ASP 32 Cb -0.33 -2.04 1.36 0.00 -1.46 0.00 0.00 42.92 40.44 3dmf s ASP 32 CO 0.79 -0.27 1.98 -0.65 0.52 0.00 0.00 175.17 177.54 3dmf h PRO 33 N 8.42 0.05 -0.08 4.34 0.11 -1.96 -0.06 132.00 142.82 3dmf h PRO 33 Ca -0.30 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 3dmf h PRO 33 Cb 1.13 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3dmf h PRO 33 CO 0.64 0.03 -0.00 0.28 -0.21 0.00 0.00 178.00 178.74 3dmf h VAL 34 N 0.05 1.26 -0.34 3.15 2.07 -1.93 -0.64 116.25 119.86 3dmf h VAL 34 Ca 0.28 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 3dmf h VAL 34 Cb 1.04 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3dmf h VAL 34 CO -0.02 0.23 -0.13 0.45 0.02 0.00 0.00 177.57 178.12 3dmf h HIS 35 N -0.15 0.66 -0.68 1.57 3.86 -1.77 -2.16 115.15 116.47 3dmf h HIS 35 Ca 0.02 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 3dmf h HIS 35 Cb 0.36 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 3dmf h HIS 35 CO 0.04 0.71 0.33 -0.44 0.86 0.00 0.00 177.93 179.43 3dmf h ASP 36 N 0.55 0.89 -0.46 2.45 3.32 -0.88 -1.14 116.42 121.15 3dmf h ASP 36 Ca 0.10 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 3dmf h ASP 36 Cb 0.55 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3dmf h ASP 36 CO 0.04 0.77 0.01 0.25 -1.72 0.00 0.00 179.24 178.58 3dmf h LEU 37 N 0.95 0.79 -0.63 1.55 5.85 -0.97 -2.38 115.31 120.46 3dmf h LEU 37 Ca 0.23 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3dmf h LEU 37 Cb 0.12 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3dmf h LEU 37 CO -0.03 0.90 0.31 -0.07 -0.34 0.00 0.00 178.44 179.21 3dmf h LEU 38 N 0.66 0.42 -1.51 2.25 3.38 -1.15 -2.45 115.31 116.90 3dmf h LEU 38 Ca 0.13 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3dmf h LEU 38 Cb 0.49 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3dmf h LEU 38 CO 0.02 0.27 -0.05 -0.61 0.09 0.00 0.00 178.44 178.16 3dmf h GLN 39 N 0.57 0.25 0.00 1.13 -0.00 -0.87 0.11 115.11 116.30 3dmf h GLN 39 Ca 0.30 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.90 3dmf h GLN 39 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.70 3dmf h GLN 39 CO -0.22 0.32 0.00 1.63 0.00 0.00 0.00 178.83 180.56 3dmf n LYS 40 N -4.34 0.16 0.00 1.69 5.02 -0.93 -4.38 118.16 115.38 3dmf n LYS 40 Ca -0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3dmf n LYS 40 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3dmf n LYS 40 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3dmf n THR 41 N -1.42 0.00 -1.86 -0.18 -1.04 -0.22 -5.05 114.28 104.51 3dmf n THR 41 Ca 0.10 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.69 3dmf n THR 41 Cb 0.29 -0.66 -0.01 0.00 -1.82 0.00 0.00 70.33 68.13 3dmf n THR 41 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3dmf s VAL 42 N -1.98 2.22 0.06 12.58 -7.23 0.21 -5.02 120.40 121.24 3dmf s VAL 42 Ca 0.00 0.20 0.04 0.00 -1.81 0.00 0.00 61.98 60.41 3dmf s VAL 42 Cb 0.00 -3.13 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 3dmf s VAL 42 CO 0.00 0.04 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.10 3dmf s GLU 43 N -1.23 0.71 0.50 4.82 2.02 -1.26 -4.83 118.70 119.43 3dmf s GLU 43 Ca 0.57 -0.89 -0.23 0.00 0.02 0.00 0.00 54.97 54.44 3dmf s GLU 43 Cb -0.46 -0.62 -0.07 0.00 0.10 0.00 0.00 34.13 33.08 3dmf s GLU 43 CO 0.54 0.13 1.21 -2.30 0.02 0.00 0.00 175.26 174.86 3dmf n PRO 44 N 1.32 1.58 -3.66 0.39 -0.02 -1.26 -5.02 135.00 128.32 3dmf n PRO 44 Ca -0.22 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 61.74 3dmf n PRO 44 Cb 0.54 -2.37 -0.11 0.00 -0.02 0.00 0.00 33.50 31.55 3dmf n PRO 44 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3dmf s PHE 45 N -1.30 -0.66 0.00 6.00 5.36 -1.26 -5.12 117.98 121.00 3dmf s PHE 45 Ca 0.68 1.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.98 3dmf s PHE 45 Cb -0.46 0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.40 3dmf s PHE 45 CO 0.53 -0.44 0.00 0.41 -1.46 0.00 0.00 175.22 174.26 3dmf n GLY 46 N 5.37 -0.29 0.03 13.12 0.00 -1.26 -4.34 105.19 117.83 3dmf n GLY 46 Ca -0.08 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.87 3dmf n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dmf n GLU 47 N 0.00 2.47 -4.35 1.61 4.71 -1.26 -4.91 120.64 118.90 3dmf n GLU 47 Ca 0.00 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.16 56.82 3dmf n GLU 47 Cb 0.00 -1.17 -0.16 0.00 -1.01 0.00 0.00 31.44 29.10 3dmf n GLU 47 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3dmf s ARG 48 N -2.22 2.73 0.16 3.49 0.52 -1.26 -1.25 118.95 121.12 3dmf s ARG 48 Ca -0.03 -0.74 0.10 0.00 -0.52 0.00 0.00 55.73 54.54 3dmf s ARG 48 Cb 0.02 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 3dmf s ARG 48 CO 0.27 -0.12 -0.17 0.00 0.02 0.00 0.00 175.30 175.30 3dmf s ALA 49 N 1.11 2.72 -0.08 2.13 0.00 0.73 -0.40 121.76 127.98 3dmf s ALA 49 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.49 3dmf s ALA 49 Cb -0.14 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.41 3dmf s ALA 49 CO -0.07 0.51 -0.07 -1.17 0.00 0.00 0.00 175.76 174.96 3dmf s LEU 50 N -2.49 1.24 -0.31 0.00 2.96 -0.07 -0.94 118.68 119.07 3dmf s LEU 50 Ca 0.21 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.81 3dmf s LEU 50 Cb -0.09 -0.67 -0.00 0.00 0.50 0.00 0.00 46.19 45.93 3dmf s LEU 50 CO 0.12 -0.08 0.14 -0.62 -1.32 0.00 0.00 176.35 174.59 3dmf s ASP 51 N 1.27 5.45 0.00 3.68 -1.08 0.10 -0.43 116.67 125.66 3dmf s ASP 51 Ca -0.04 -0.61 0.27 0.00 -0.52 0.00 0.00 52.55 51.65 3dmf s ASP 51 Cb -0.14 -1.97 0.95 0.00 -1.46 0.00 0.00 42.92 40.30 3dmf s ASP 51 CO -0.02 -0.21 1.68 0.18 0.52 0.00 0.00 175.17 177.32 3dmf n LEU 52 N 4.95 0.90 -2.84 -1.34 4.77 -0.58 -1.32 117.00 121.54 3dmf n LEU 52 Ca -0.14 -0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 55.52 3dmf n LEU 52 Cb 0.49 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3dmf n LEU 52 CO 0.33 0.17 0.16 -3.20 -1.33 0.00 0.00 177.39 173.52 3dmf n ASN 53 N -0.64 -1.82 0.15 -1.43 5.15 -1.26 -4.70 115.26 110.70 3dmf n ASN 53 Ca 0.14 -3.40 0.02 0.00 -0.60 0.00 0.00 54.58 50.74 3dmf n ASN 53 Cb 0.32 1.31 0.18 0.00 -0.53 0.00 0.00 39.78 41.06 3dmf n ASN 53 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3dmf h PRO 54 N 3.38 0.00 0.00 1.20 0.13 -1.77 -3.41 132.00 131.53 3dmf h PRO 54 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3dmf h PRO 54 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3dmf h PRO 54 CO 0.27 0.54 0.00 0.41 -0.23 0.00 0.00 178.00 178.99 3dmf n GLY 55 N 0.57 3.36 0.00 1.56 0.00 -1.26 -0.95 105.19 108.47 3dmf n GLY 55 Ca -0.00 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.05 3dmf n GLY 55 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dmf n VAL 56 N 0.00 0.07 -0.38 1.61 0.24 -0.65 -4.73 118.33 114.49 3dmf n VAL 56 Ca 0.00 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3dmf n VAL 56 Cb 0.00 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 3dmf n VAL 56 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dmf n GLY 57 N 0.76 0.79 0.23 7.63 0.00 -0.13 -4.67 105.19 109.80 3dmf n GLY 57 Ca 0.17 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3dmf n GLY 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3dmf h TRP 58 N 0.00 0.91 -0.90 1.61 -0.00 -1.84 -2.85 115.95 112.88 3dmf h TRP 58 Ca 0.00 -0.26 0.04 0.00 -0.00 0.00 0.00 58.89 58.67 3dmf h TRP 58 Cb 0.00 -0.20 -0.06 0.00 -0.00 0.00 0.00 29.16 28.91 3dmf h TRP 58 CO 0.00 1.02 0.58 0.78 -0.00 0.00 0.00 178.44 180.83 3dmf h GLY 59 N 0.54 1.33 -2.11 2.65 0.00 -1.83 -2.47 103.07 101.17 3dmf h GLY 59 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3dmf h GLY 59 CO 0.07 0.37 0.00 -1.14 0.00 0.00 0.00 176.54 175.84 3dmf n SER 60 N -4.53 3.22 -0.19 0.19 3.41 -1.25 -3.11 113.62 111.37 3dmf n SER 60 Ca 0.12 -1.99 0.14 0.00 -0.26 0.00 0.00 58.87 56.88 3dmf n SER 60 Cb 0.11 -0.13 0.47 0.00 -0.26 0.00 0.00 64.21 64.40 3dmf n SER 60 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3dmf h LEU 61 N 4.56 0.45 -2.29 1.04 5.85 -1.19 -1.00 115.31 122.73 3dmf h LEU 61 Ca 0.00 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3dmf h LEU 61 Cb 0.99 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3dmf h LEU 61 CO 0.00 0.23 0.22 -0.65 -0.34 0.00 0.00 178.44 177.91 3dmf h PRO 62 N 0.48 0.00 0.00 5.25 0.11 -1.82 -0.70 132.00 135.32 3dmf h PRO 62 Ca 0.39 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.47 3dmf h PRO 62 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 3dmf h PRO 62 CO -0.14 0.00 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.45 3dmf h LEU 63 N 0.00 0.00 -9.64 2.35 3.38 -1.50 -3.44 115.31 106.46 3dmf h LEU 63 Ca 0.05 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.50 3dmf h LEU 63 Cb 0.50 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.29 3dmf h LEU 63 CO -0.00 0.14 0.83 -0.70 0.09 0.00 0.00 178.44 178.79 3dmf s GLU 64 N -3.23 4.24 0.00 1.13 2.56 -0.27 -1.58 118.70 121.55 3dmf s GLU 64 Ca 0.05 2.31 0.00 0.00 0.00 0.00 0.00 54.97 57.34 3dmf s GLU 64 Cb 0.06 -3.15 0.00 0.00 2.00 0.00 0.00 34.13 33.04 3dmf s GLU 64 CO 0.67 -0.54 0.00 0.41 -0.56 0.00 0.00 175.26 175.25 3dmf n GLY 65 N 3.27 2.57 0.04 -1.50 0.00 -1.26 -4.77 105.19 103.54 3dmf n GLY 65 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 3dmf n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dmf n ARG 66 N -2.00 1.63 -4.23 1.61 1.74 -0.61 -5.04 116.66 109.76 3dmf n ARG 66 Ca 0.00 -0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 56.91 3dmf n ARG 66 Cb 0.00 -1.29 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 3dmf n ARG 66 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3dmf s MET 67 N -2.44 1.07 -0.04 5.56 -1.94 -0.66 -5.01 119.30 115.83 3dmf s MET 67 Ca -0.05 -1.50 -0.30 0.00 -1.71 0.00 0.00 55.69 52.13 3dmf s MET 67 Cb 0.05 -0.29 -0.04 0.00 2.01 0.00 0.00 34.83 36.56 3dmf s MET 67 CO 0.48 -0.10 1.22 0.00 -0.01 0.00 0.00 175.02 176.62 3dmf s ALA 68 N -3.62 3.50 -0.12 3.03 0.00 -0.38 -4.71 121.76 119.45 3dmf s ALA 68 Ca 0.22 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.87 3dmf s ALA 68 Cb 0.06 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.66 3dmf s ALA 68 CO 0.02 -0.76 -0.21 0.08 0.00 0.00 0.00 175.76 174.89 3dmf s VAL 69 N 2.18 1.96 0.10 0.00 1.01 -1.26 -0.19 120.40 124.19 3dmf s VAL 69 Ca 0.57 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3dmf s VAL 69 Cb -0.26 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3dmf s VAL 69 CO 0.23 0.53 0.01 -0.70 0.00 0.00 0.00 175.10 175.17 3dmf s GLU 70 N 0.73 2.56 -0.04 2.72 2.56 -0.11 -4.69 118.70 122.44 3dmf s GLU 70 Ca -0.10 -0.86 0.01 0.00 0.00 0.00 0.00 54.97 54.01 3dmf s GLU 70 Cb -0.16 -2.53 0.02 0.00 2.00 0.00 0.00 34.13 33.46 3dmf s GLU 70 CO 0.01 0.53 -0.02 1.03 -0.56 0.00 0.00 175.26 176.24 3dmf s ARG 71 N -2.43 0.62 -0.18 4.30 0.52 -1.24 -0.72 118.95 119.81 3dmf s ARG 71 Ca 0.26 -0.02 -0.03 0.00 -0.52 0.00 0.00 55.73 55.42 3dmf s ARG 71 Cb -0.11 -0.71 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 3dmf s ARG 71 CO 0.19 -0.11 -0.05 -0.51 0.02 0.00 0.00 175.30 174.83 3dmf s LEU 72 N 1.02 3.00 -0.01 2.53 1.43 -0.43 -0.48 118.68 125.73 3dmf s LEU 72 Ca -0.10 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 3dmf s LEU 72 Cb -0.14 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.35 3dmf s LEU 72 CO -0.01 0.07 -0.00 -0.70 0.23 0.00 0.00 176.35 175.94 3dmf s GLU 73 N 0.93 0.11 0.07 1.70 2.56 -0.37 -4.10 118.70 119.60 3dmf s GLU 73 Ca -0.01 0.03 0.19 0.00 0.00 0.00 0.00 54.97 55.18 3dmf s GLU 73 Cb -0.15 -0.21 -0.13 0.00 2.00 0.00 0.00 34.13 35.65 3dmf s GLU 73 CO 0.01 -0.04 0.80 0.25 -0.56 0.00 0.00 175.26 175.71 3dmf n THR 74 N 3.49 0.90 -2.90 -1.70 -2.24 -1.23 -1.75 114.28 108.85 3dmf n THR 74 Ca -0.18 -0.64 -0.41 0.00 -2.27 0.00 0.00 64.05 60.54 3dmf n THR 74 Cb 0.56 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.23 3dmf n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3dmf s SER 75 N -5.49 6.94 0.23 3.42 0.15 -1.26 -0.73 113.70 116.96 3dmf s SER 75 Ca -0.03 1.15 -0.08 0.00 0.70 0.00 0.00 55.95 57.69 3dmf s SER 75 Cb 0.09 -2.45 0.22 0.00 -1.71 0.00 0.00 66.02 62.17 3dmf s SER 75 CO 0.82 -0.40 1.91 -0.09 1.20 0.00 0.00 173.24 176.67 3dmf h ARG 76 N 7.36 1.19 -0.82 5.44 9.65 -1.37 -1.44 114.38 134.39 3dmf h ARG 76 Ca -0.29 -0.08 0.02 0.00 -1.10 0.00 0.00 59.98 58.53 3dmf h ARG 76 Cb 1.13 -0.27 -0.04 0.00 -1.39 0.00 0.00 29.97 29.40 3dmf h ARG 76 CO 0.84 0.79 0.54 0.00 2.80 0.00 0.00 179.97 184.94 3dmf h ALA 77 N 1.33 1.05 -0.37 2.80 0.00 -1.89 -0.84 119.26 121.34 3dmf h ALA 77 Ca 0.33 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 3dmf h ALA 77 Cb -0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 3dmf h ALA 77 CO -0.07 0.41 -0.25 0.00 0.00 0.00 0.00 179.25 179.34 3dmf h ALA 78 N 1.32 0.53 -0.34 0.00 0.00 -1.79 -2.88 119.26 116.11 3dmf h ALA 78 Ca 0.31 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3dmf h ALA 78 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3dmf h ALA 78 CO -0.08 0.53 -0.01 0.74 0.00 0.00 0.00 179.25 180.42 3dmf h PHE 79 N 0.63 0.55 -0.75 0.00 0.04 -0.63 -0.05 116.94 116.73 3dmf h PHE 79 Ca 0.07 -0.06 0.07 0.00 2.80 0.00 0.00 57.97 60.86 3dmf h PHE 79 Cb 0.82 -0.16 -0.06 0.00 2.20 0.00 0.00 35.95 38.75 3dmf h PHE 79 CO 0.06 0.54 0.43 0.00 -0.60 0.00 0.00 178.31 178.74 3dmf h ARG 80 N 0.50 0.74 0.04 1.51 3.08 -0.98 -1.21 114.38 118.06 3dmf h ARG 80 Ca 0.11 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3dmf h ARG 80 Cb 0.34 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3dmf h ARG 80 CO 0.01 0.49 -0.02 0.00 -1.07 0.00 0.00 179.97 179.39 3dmf h LEU 82 N -0.46 -0.27 -0.49 0.00 3.38 -0.85 -0.24 115.31 116.38 3dmf h LEU 82 Ca -0.01 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3dmf h LEU 82 Cb 0.42 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3dmf h LEU 82 CO 0.01 -0.10 0.24 0.74 0.09 0.00 0.00 178.44 179.42 3dmf h THR 83 N -0.01 0.94 -0.41 0.22 2.02 -1.28 -0.34 112.91 114.06 3dmf h THR 83 Ca 0.13 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3dmf h THR 83 Cb 0.21 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3dmf h THR 83 CO -0.28 0.08 0.22 0.00 0.37 0.00 0.00 175.52 175.91 3dmf h ALA 84 N 1.27 1.63 0.00 6.16 0.00 -0.63 -1.32 119.26 126.37 3dmf h ALA 84 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dmf h ALA 84 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dmf h ALA 84 CO -0.16 0.32 0.00 0.43 0.00 0.00 0.00 179.25 179.84 3dmf n SER 85 N -4.43 0.00 -1.14 0.00 7.64 -0.17 -4.89 113.62 110.63 3dmf n SER 85 Ca 0.03 -0.21 -0.11 0.00 1.01 0.00 0.00 58.87 59.59 3dmf n SER 85 Cb 0.10 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.06 3dmf n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dmf n GLY 86 N 0.67 0.23 3.59 0.23 0.00 -0.50 -4.98 105.19 104.44 3dmf n GLY 86 Ca 0.13 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 3dmf n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dmf s LEU 87 N -2.97 3.89 0.17 0.99 1.43 -0.19 -5.02 118.68 116.98 3dmf s LEU 87 Ca 0.00 0.01 -0.34 0.00 -1.03 0.00 0.00 54.13 52.77 3dmf s LEU 87 Cb 0.00 -2.04 -0.14 0.00 0.03 0.00 0.00 46.19 44.04 3dmf s LEU 87 CO 0.00 0.04 1.54 1.67 0.23 0.00 0.00 176.35 179.83 3dmf n GLN 88 N 4.47 2.07 -3.57 1.70 7.27 -1.26 -4.12 117.38 123.94 3dmf n GLN 88 Ca -0.15 0.75 -0.16 0.00 0.07 0.00 0.00 57.00 57.51 3dmf n GLN 88 Cb 0.52 -2.49 -0.06 0.00 2.41 0.00 0.00 30.24 30.61 3dmf n GLN 88 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3dmf s ALA 89 N 0.76 -1.78 0.09 1.69 0.00 -1.26 -3.65 121.76 117.60 3dmf s ALA 89 Ca 0.78 1.66 0.10 0.00 0.00 0.00 0.00 51.96 54.50 3dmf s ALA 89 Cb -0.69 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 3dmf s ALA 89 CO 0.40 -0.35 -0.27 1.03 0.00 0.00 0.00 175.76 176.57 3dmf s ARG 90 N -0.44 1.61 -0.60 0.00 1.81 0.36 -4.96 118.95 116.73 3dmf s ARG 90 Ca -0.06 -1.22 -0.28 0.00 -1.72 0.00 0.00 55.73 52.45 3dmf s ARG 90 Cb -0.02 -1.94 0.01 0.00 -0.45 0.00 0.00 34.95 32.55 3dmf s ARG 90 CO 0.05 0.48 1.43 -0.51 -0.68 0.00 0.00 175.30 176.07 3dmf s LEU 91 N -1.63 3.35 -0.08 2.53 1.43 -1.26 -1.24 118.68 121.78 3dmf s LEU 91 Ca 0.13 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 3dmf s LEU 91 Cb -0.10 -2.91 0.09 0.00 0.03 0.00 0.00 46.19 43.30 3dmf s LEU 91 CO 0.04 -1.79 0.80 0.00 0.23 0.00 0.00 176.35 175.62 3dmf s ALA 92 N 6.26 -1.82 0.44 4.21 0.00 -0.72 -4.91 121.76 125.23 3dmf s ALA 92 Ca 0.50 1.37 -0.20 0.00 0.00 0.00 0.00 51.96 53.63 3dmf s ALA 92 Cb -0.10 -0.20 -0.10 0.00 0.00 0.00 0.00 23.12 22.71 3dmf s ALA 92 CO 0.23 -0.38 0.95 -0.51 0.00 0.00 0.00 175.76 176.05 3dmf s LEU 93 N -1.28 3.89 0.36 0.00 1.43 -1.26 -2.94 118.68 118.88 3dmf s LEU 93 Ca -0.07 1.66 0.08 0.00 -1.03 0.00 0.00 54.13 54.78 3dmf s LEU 93 Cb -0.00 -4.53 0.81 0.00 0.03 0.00 0.00 46.19 42.50 3dmf s LEU 93 CO 0.05 -0.40 1.91 -0.65 0.23 0.00 0.00 176.35 177.49 3dmf h PRO 94 N 1.75 0.67 -0.06 1.29 0.11 -1.88 -0.95 132.00 132.93 3dmf h PRO 94 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3dmf h PRO 94 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3dmf h PRO 94 CO 0.61 0.45 0.00 -2.67 -0.21 0.00 0.00 178.00 176.18 3dmf n TRP 95 N -4.52 0.08 1.47 0.65 2.14 -1.26 -2.32 117.44 113.67 3dmf n TRP 95 Ca 0.15 -0.04 0.14 0.00 2.07 0.00 0.00 57.50 59.82 3dmf n TRP 95 Cb 0.39 0.00 0.53 0.00 -0.81 0.00 0.00 31.31 31.41 3dmf n TRP 95 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3dmf n GLU 96 N -0.40 1.34 -1.81 -2.67 1.02 -0.36 -4.94 120.64 112.82 3dmf n GLU 96 Ca 0.09 -0.73 -0.41 0.00 -0.02 0.00 0.00 57.16 56.09 3dmf n GLU 96 Cb 0.10 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3dmf n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dmf s ALA 97 N -2.16 3.57 0.30 0.62 0.00 -0.98 -4.96 121.76 118.16 3dmf s ALA 97 Ca 0.35 1.56 -0.30 0.00 0.00 0.00 0.00 51.96 53.57 3dmf s ALA 97 Cb 0.21 -3.61 -0.12 0.00 0.00 0.00 0.00 23.12 19.60 3dmf s ALA 97 CO 0.39 -1.05 1.57 0.00 0.00 0.00 0.00 175.76 176.68 3dmf n ALA 98 N 0.46 2.45 -2.21 0.00 0.00 -1.26 -4.85 120.51 115.09 3dmf n ALA 98 Ca 0.01 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 3dmf n ALA 98 Cb 0.39 -2.45 -0.05 0.00 0.00 0.00 0.00 19.45 17.35 3dmf n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dmf s ALA 99 N -0.18 3.25 -1.75 0.00 0.00 -1.26 -4.02 121.76 117.79 3dmf s ALA 99 Ca 0.62 0.58 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3dmf s ALA 99 Cb -0.50 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3dmf s ALA 99 CO 0.51 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.68 3dmf n GLY 100 N 2.17 1.57 0.48 0.00 0.00 0.10 -4.89 105.19 104.62 3dmf n GLY 100 Ca 0.02 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.91 3dmf n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmf n ALA 101 N 1.15 3.33 -2.50 4.61 0.00 -0.51 -4.06 120.51 122.53 3dmf n ALA 101 Ca -0.17 -0.61 -0.25 0.00 0.00 0.00 0.00 53.44 52.41 3dmf n ALA 101 Cb 0.55 -0.70 -0.13 0.00 0.00 0.00 0.00 19.45 19.17 3dmf n ALA 101 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3dmf s TYR 102 N -2.21 1.90 -0.10 0.00 2.02 -0.58 -4.91 117.35 113.48 3dmf s TYR 102 Ca 0.17 -0.40 0.16 0.00 -0.37 0.00 0.00 57.07 56.62 3dmf s TYR 102 Cb 0.16 -1.05 -0.20 0.00 -0.40 0.00 0.00 41.96 40.47 3dmf s TYR 102 CO 0.49 0.21 0.64 -0.25 -1.57 0.00 0.00 175.55 175.07 3dmf n ASP 103 N 1.20 0.70 -3.81 2.29 8.00 0.46 -1.68 116.55 123.71 3dmf n ASP 103 Ca -0.19 0.32 -0.13 0.00 0.71 0.00 0.00 54.79 55.50 3dmf n ASP 103 Cb 0.53 0.28 -0.14 0.00 -0.02 0.00 0.00 41.12 41.78 3dmf n ASP 103 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dmf s LEU 104 N -5.79 1.37 0.02 0.64 2.96 -0.95 -0.92 118.68 116.01 3dmf s LEU 104 Ca -0.05 0.19 0.08 0.00 -0.22 0.00 0.00 54.13 54.12 3dmf s LEU 104 Cb 0.08 0.26 -0.02 0.00 0.50 0.00 0.00 46.19 47.01 3dmf s LEU 104 CO 0.82 -0.07 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.87 3dmf s VAL 105 N 0.45 1.80 -0.14 1.68 1.01 -0.16 -0.89 120.40 124.15 3dmf s VAL 105 Ca -0.03 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 60.82 3dmf s VAL 105 Cb -0.05 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 3dmf s VAL 105 CO -0.02 0.35 -0.18 -0.69 0.00 0.00 0.00 175.10 174.56 3dmf s VAL 106 N -0.69 2.47 -0.26 2.92 1.01 0.43 -0.52 120.40 125.75 3dmf s VAL 106 Ca 0.09 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 3dmf s VAL 106 Cb -0.09 -2.01 0.09 0.00 0.00 0.00 0.00 36.38 34.36 3dmf s VAL 106 CO 0.01 0.53 0.10 -0.22 0.00 0.00 0.00 175.10 175.52 3dmf s LEU 107 N 0.67 0.98 -0.14 3.92 2.96 0.08 -1.53 118.68 125.63 3dmf s LEU 107 Ca -0.09 -1.18 -0.29 0.00 -0.22 0.00 0.00 54.13 52.35 3dmf s LEU 107 Cb -0.16 -0.48 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 3dmf s LEU 107 CO 0.02 -0.40 1.34 0.00 -1.32 0.00 0.00 176.35 175.99 3dmf s ALA 108 N 1.96 3.65 0.07 5.97 0.00 -1.26 -1.46 121.76 130.68 3dmf s ALA 108 Ca 0.06 0.56 -0.31 0.00 0.00 0.00 0.00 51.96 52.27 3dmf s ALA 108 Cb -0.16 -3.65 -0.10 0.00 0.00 0.00 0.00 23.12 19.21 3dmf s ALA 108 CO -0.25 -1.21 1.90 1.28 0.00 0.00 0.00 175.76 177.48 3dmf n LEU 109 N 6.70 4.03 -3.34 0.00 4.77 0.63 -4.78 117.00 125.01 3dmf n LEU 109 Ca 0.15 0.95 -0.39 0.00 -0.03 0.00 0.00 56.01 56.68 3dmf n LEU 109 Cb 0.44 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 3dmf n LEU 109 CO 0.57 0.16 3.29 -0.81 -1.33 0.00 0.00 177.39 179.27 3dmf n PRO 110 N 6.53 3.79 0.19 3.23 -0.04 -1.26 -4.70 135.00 142.74 3dmf n PRO 110 Ca 0.19 -2.35 0.06 0.00 -0.04 0.00 0.00 63.50 61.36 3dmf n PRO 110 Cb 0.38 -2.79 0.52 0.00 -0.04 0.00 0.00 33.50 31.57 3dmf n PRO 110 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dmf h ALA 111 N 4.97 1.78 0.00 0.55 0.00 -1.88 -1.59 119.26 123.09 3dmf h ALA 111 Ca 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.68 3dmf h ALA 111 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3dmf h ALA 111 CO 1.76 0.17 0.00 0.78 0.00 0.00 0.00 179.25 181.96 3dmf h GLY 112 N 0.37 0.00 -0.78 0.00 0.00 -1.94 -1.47 103.07 99.25 3dmf h GLY 112 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3dmf h GLY 112 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.09 3dmf n ARG 113 N -3.05 1.81 0.00 4.80 1.74 -0.60 -5.06 116.66 116.30 3dmf n ARG 113 Ca -0.01 -1.17 0.00 0.00 -0.77 0.00 0.00 57.85 55.90 3dmf n ARG 113 Cb 0.18 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 3dmf n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dmf n GLY 114 N 1.21 0.04 0.16 -0.13 0.00 -0.56 -3.95 105.19 101.97 3dmf n GLY 114 Ca 0.18 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 3dmf n GLY 114 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dmf h THR 115 N 0.00 0.83 -0.67 2.61 2.02 -1.92 -1.53 112.91 114.24 3dmf h THR 115 Ca 0.00 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.03 3dmf h THR 115 Cb 0.00 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3dmf h THR 115 CO 0.00 0.04 0.12 0.00 0.37 0.00 0.00 175.52 176.05 3dmf h ALA 116 N 1.27 0.89 -0.43 6.16 0.00 -1.99 0.99 119.26 126.15 3dmf h ALA 116 Ca 0.18 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3dmf h ALA 116 Cb 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dmf h ALA 116 CO -0.22 0.64 -0.02 -0.92 0.00 0.00 0.00 179.25 178.73 3dmf h TYR 117 N 1.02 0.85 -0.42 0.00 3.20 -1.69 -1.33 116.97 118.60 3dmf h TYR 117 Ca 0.21 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3dmf h TYR 117 Cb 0.42 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3dmf h TYR 117 CO 0.03 0.84 0.21 0.28 -1.64 0.00 0.00 178.16 177.88 3dmf h VAL 118 N 0.61 1.17 -0.61 1.81 2.07 -0.96 -1.44 116.25 118.90 3dmf h VAL 118 Ca 0.12 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3dmf h VAL 118 Cb 0.52 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3dmf h VAL 118 CO 0.03 0.19 0.39 -0.61 0.02 0.00 0.00 177.57 177.58 3dmf h GLN 119 N 0.54 0.75 -0.75 1.57 5.75 -0.68 0.16 115.11 122.45 3dmf h GLN 119 Ca 0.15 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 3dmf h GLN 119 Cb 0.11 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 3dmf h GLN 119 CO -0.02 0.50 0.28 0.00 -2.65 0.00 0.00 178.83 176.93 3dmf h ALA 120 N 1.25 1.06 -0.65 3.38 0.00 -1.08 -0.65 119.26 122.57 3dmf h ALA 120 Ca 0.23 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3dmf h ALA 120 Cb -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3dmf h ALA 120 CO -0.08 0.65 0.18 0.77 0.00 0.00 0.00 179.25 180.77 3dmf h SER 121 N 1.11 0.97 -0.34 0.00 0.02 -0.56 -0.13 113.55 114.62 3dmf h SER 121 Ca 0.25 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3dmf h SER 121 Cb 0.24 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3dmf h SER 121 CO -0.02 0.94 0.15 -0.07 -1.14 0.00 0.00 176.83 176.70 3dmf h LEU 122 N 0.96 0.46 -0.56 5.07 3.38 -0.26 -0.39 115.31 123.97 3dmf h LEU 122 Ca 0.21 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3dmf h LEU 122 Cb 0.34 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3dmf h LEU 122 CO -0.00 0.48 -0.08 0.58 0.09 0.00 0.00 178.44 179.51 3dmf h VAL 123 N 0.41 1.27 -0.86 1.22 2.07 -1.08 -1.56 116.25 117.72 3dmf h VAL 123 Ca 0.12 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.45 3dmf h VAL 123 Cb 0.15 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3dmf h VAL 123 CO -0.01 0.44 0.54 0.00 0.02 0.00 0.00 177.57 178.56 3dmf h ALA 124 N 0.94 1.16 -0.14 1.67 0.00 -0.83 0.91 119.26 122.97 3dmf h ALA 124 Ca 0.15 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dmf h ALA 124 Cb 0.64 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3dmf h ALA 124 CO 0.04 0.33 0.07 0.00 0.00 0.00 0.00 179.25 179.69 3dmf h ALA 125 N 1.38 0.16 -0.56 0.00 0.00 -0.60 0.30 119.26 119.94 3dmf h ALA 125 Ca 0.36 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.30 3dmf h ALA 125 Cb 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3dmf h ALA 125 CO -0.15 -0.37 0.34 0.00 0.00 0.00 0.00 179.25 179.07 3dmf h ALA 126 N 1.07 0.73 -0.37 0.00 0.00 -0.74 -2.63 119.26 117.31 3dmf h ALA 126 Ca 0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3dmf h ALA 126 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3dmf h ALA 126 CO -0.03 0.06 -0.26 0.00 0.00 0.00 0.00 179.25 179.02 3dmf h ARG 127 N 0.67 0.75 -0.25 0.00 3.08 -0.63 -3.15 114.38 114.85 3dmf h ARG 127 Ca 0.23 -0.32 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3dmf h ARG 127 Cb 0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3dmf h ARG 127 CO -0.10 0.93 -0.05 0.00 -1.07 0.00 0.00 179.97 179.68 3dmf h ALA 128 N 1.05 1.46 -2.68 0.04 0.00 -0.65 0.29 119.26 118.77 3dmf h ALA 128 Ca 0.08 -0.19 -0.50 0.00 0.00 0.00 0.00 54.91 54.30 3dmf h ALA 128 Cb 0.78 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.48 3dmf h ALA 128 CO 0.06 0.38 0.46 -0.51 0.00 0.00 0.00 179.25 179.65 3dmf s LEU 129 N -8.94 4.31 0.76 0.00 1.43 -1.02 -1.42 118.68 113.81 3dmf s LEU 129 Ca -0.07 2.21 -0.11 0.00 -1.03 0.00 0.00 54.13 55.14 3dmf s LEU 129 Cb 0.16 -3.93 0.05 0.00 0.03 0.00 0.00 46.19 42.49 3dmf s LEU 129 CO 0.75 -0.41 1.08 0.00 0.23 0.00 0.00 176.35 178.00 3dmf s ARG 130 N -2.04 2.39 0.24 1.70 1.70 -0.68 -4.02 118.95 118.24 3dmf s ARG 130 Ca 0.52 1.05 -0.31 0.00 -0.47 0.00 0.00 55.73 56.52 3dmf s ARG 130 Cb -0.28 -1.92 -0.13 0.00 -0.57 0.00 0.00 34.95 32.05 3dmf s ARG 130 CO 0.36 -1.51 1.46 -0.12 -1.08 0.00 0.00 175.30 174.41 3dmf n MET 131 N -3.42 2.17 -0.28 3.89 0.00 -1.26 -1.23 117.12 116.99 3dmf n MET 131 Ca 0.08 0.77 0.00 0.00 -0.00 0.00 0.00 57.70 58.56 3dmf n MET 131 Cb 0.53 -2.47 0.00 0.00 0.00 0.00 0.00 33.22 31.29 3dmf n MET 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3dmf n GLY 132 N 2.34 1.34 3.65 -5.12 0.00 -0.01 -5.02 105.19 102.38 3dmf n GLY 132 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3dmf n GLY 132 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dmf s GLY 133 N -1.81 1.56 0.11 -0.02 0.00 -0.36 -4.68 107.32 102.12 3dmf s GLY 133 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 44.72 44.47 3dmf s GLY 133 CO 0.00 0.31 -0.15 0.50 0.00 0.00 0.00 173.10 173.76 3dmf s ARG 134 N -4.89 1.01 -0.12 2.90 0.52 -0.10 -1.02 118.95 117.25 3dmf s ARG 134 Ca 0.66 -1.19 0.02 0.00 -0.52 0.00 0.00 55.73 54.69 3dmf s ARG 134 Cb -0.19 -0.96 0.01 0.00 0.52 0.00 0.00 34.95 34.33 3dmf s ARG 134 CO 0.59 0.19 -0.17 -1.17 0.02 0.00 0.00 175.30 174.76 3dmf s LEU 135 N -2.29 1.83 -0.25 2.53 2.96 0.13 -0.99 118.68 122.60 3dmf s LEU 135 Ca 0.07 -0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 53.31 3dmf s LEU 135 Cb -0.06 -1.20 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 3dmf s LEU 135 CO 0.03 0.03 0.57 -0.31 -1.32 0.00 0.00 176.35 175.35 3dmf s TYR 136 N 0.98 3.29 -0.18 5.38 2.02 0.32 -0.88 117.35 128.29 3dmf s TYR 136 Ca -0.06 0.75 0.00 0.00 -0.37 0.00 0.00 57.07 57.39 3dmf s TYR 136 Cb -0.15 -2.77 0.01 0.00 -0.40 0.00 0.00 41.96 38.64 3dmf s TYR 136 CO -0.02 -0.28 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.35 3dmf s LEU 137 N 2.31 2.36 0.09 -1.29 2.96 0.33 -0.74 118.68 124.69 3dmf s LEU 137 Ca 0.24 -0.55 0.09 0.00 -0.22 0.00 0.00 54.13 53.69 3dmf s LEU 137 Cb -0.16 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3dmf s LEU 137 CO 0.09 0.03 -0.23 0.00 -1.32 0.00 0.00 176.35 174.92 3dmf s ALA 138 N 1.15 1.98 0.00 5.97 0.00 -0.54 -0.08 121.76 130.24 3dmf s ALA 138 Ca 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3dmf s ALA 138 Cb -0.14 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.65 3dmf s ALA 138 CO -0.07 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.53 3dmf n GLY 139 N 1.32 1.63 2.82 0.00 0.00 -0.41 -0.27 105.19 110.28 3dmf n GLY 139 Ca -0.18 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 3dmf n GLY 139 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dmf s ASP 140 N 1.66 1.48 0.55 1.61 -1.08 -1.26 -1.21 116.67 118.42 3dmf s ASP 140 Ca 0.00 -0.13 0.24 0.00 -0.52 0.00 0.00 52.55 52.14 3dmf s ASP 140 Cb 0.00 -0.50 1.46 0.00 -1.46 0.00 0.00 42.92 42.42 3dmf s ASP 140 CO 0.00 -0.14 2.08 0.11 0.52 0.00 0.00 175.17 177.74 3dmf h LYS 141 N 7.98 0.00 0.00 4.34 1.57 -1.21 0.22 116.57 129.47 3dmf h LYS 141 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3dmf h LYS 141 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3dmf h LYS 141 CO 0.34 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.31 3dmf n ASN 142 N -4.22 0.22 -2.66 0.86 5.03 -1.26 -3.83 115.26 109.41 3dmf n ASN 142 Ca 0.03 0.54 -0.19 0.00 0.87 0.00 0.00 54.58 55.84 3dmf n ASN 142 Cb 0.35 -0.59 0.01 0.00 -1.02 0.00 0.00 39.78 38.52 3dmf n ASN 142 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3dmf n LYS 143 N -1.73 2.24 -1.00 3.52 5.02 0.70 -4.97 118.16 121.95 3dmf n LYS 143 Ca 0.04 -3.92 0.00 0.00 -2.02 0.00 0.00 58.31 52.42 3dmf n LYS 143 Cb 0.25 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 3dmf n LYS 143 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dmf n GLY 144 N -0.22 0.63 0.19 0.72 0.00 -1.19 -4.62 105.19 100.70 3dmf n GLY 144 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 3dmf n GLY 144 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dmf h PHE 145 N 0.00 -0.17 -0.55 1.61 3.57 -1.60 0.44 116.94 120.24 3dmf h PHE 145 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3dmf h PHE 145 Cb 0.01 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3dmf h PHE 145 CO 0.01 -0.17 0.22 0.93 -2.23 0.00 0.00 178.31 177.07 3dmf h GLU 146 N 0.04 0.82 -0.34 1.11 4.39 -1.85 0.26 114.58 119.00 3dmf h GLU 146 Ca 0.23 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 3dmf h GLU 146 Cb 0.35 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3dmf h GLU 146 CO -0.46 0.71 0.14 -0.09 -1.16 0.00 0.00 179.01 178.15 3dmf h ARG 147 N 0.74 0.51 -0.21 2.33 2.43 -1.78 -1.04 114.38 117.37 3dmf h ARG 147 Ca 0.18 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 59.11 3dmf h ARG 147 Cb 0.20 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3dmf h ARG 147 CO -0.02 0.50 -0.48 1.88 -1.51 0.00 0.00 179.97 180.35 3dmf h TYR 148 N 0.40 0.67 -0.39 2.20 0.05 -0.66 -2.05 116.97 117.19 3dmf h TYR 148 Ca 0.11 -0.22 -0.02 0.00 0.05 0.00 0.00 58.73 58.66 3dmf h TYR 148 Cb 0.19 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 3dmf h TYR 148 CO -0.00 0.93 0.16 0.35 -1.05 0.00 0.00 178.16 178.54 3dmf h PHE 149 N 0.43 0.58 -0.73 4.88 3.57 -0.38 -0.13 116.94 125.17 3dmf h PHE 149 Ca 0.02 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.55 3dmf h PHE 149 Cb 1.01 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 3dmf h PHE 149 CO 0.04 0.51 0.41 -0.22 -2.23 0.00 0.00 178.31 176.82 3dmf h LYS 150 N 0.48 0.71 -0.61 1.11 3.64 -1.08 -0.07 116.57 120.76 3dmf h LYS 150 Ca 0.13 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 3dmf h LYS 150 Cb 0.17 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3dmf h LYS 150 CO -0.01 0.47 0.14 1.49 -2.27 0.00 0.00 179.45 179.27 3dmf h GLU 151 N 0.74 0.98 -0.89 1.90 4.57 -1.12 -2.31 114.58 118.44 3dmf h GLU 151 Ca 0.33 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3dmf h GLU 151 Cb 0.23 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 3dmf h GLU 151 CO -0.20 0.90 0.49 0.00 -1.18 0.00 0.00 179.01 179.02 3dmf h ALA 152 N 1.04 1.14 -0.69 2.92 0.00 -0.48 -0.54 119.26 122.65 3dmf h ALA 152 Ca 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3dmf h ALA 152 Cb 0.37 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3dmf h ALA 152 CO 0.00 0.65 0.27 0.00 0.00 0.00 0.00 179.25 180.17 3dmf h ARG 153 N 1.25 1.02 -0.29 0.00 3.08 -0.89 -0.42 114.38 118.13 3dmf h ARG 153 Ca 0.31 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 60.05 3dmf h ARG 153 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3dmf h ARG 153 CO -0.05 0.83 -0.37 0.00 -1.07 0.00 0.00 179.97 179.31 3dmf h ALA 154 N 1.30 0.79 -0.09 0.04 0.00 -0.84 -1.07 119.26 119.40 3dmf h ALA 154 Ca 0.23 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3dmf h ALA 154 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dmf h ALA 154 CO -0.02 0.65 -0.64 -0.07 0.00 0.00 0.00 179.25 179.17 3dmf h LEU 155 N 0.56 0.38 0.00 0.00 3.38 -0.78 -3.42 115.31 115.44 3dmf h LEU 155 Ca 0.05 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3dmf h LEU 155 Cb 0.90 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3dmf h LEU 155 CO 0.08 0.93 -0.88 0.18 0.09 0.00 0.00 178.44 178.84 3dmf n LEU 156 N -3.87 1.37 0.00 1.67 4.77 -0.20 -4.72 117.00 116.03 3dmf n LEU 156 Ca -0.03 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3dmf n LEU 156 Cb 0.65 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3dmf n LEU 156 CO 0.46 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3dmf n GLY 157 N 2.37 0.48 3.71 -0.72 0.00 -0.41 -0.32 105.19 110.29 3dmf n GLY 157 Ca -0.13 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 3dmf n GLY 157 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3dmf n TYR 158 N 3.34 2.61 -3.89 1.61 9.36 -1.26 -4.57 117.16 124.37 3dmf n TYR 158 Ca 0.00 0.14 -0.11 0.00 3.32 0.00 0.00 57.90 61.25 3dmf n TYR 158 Cb 0.00 -2.62 -0.11 0.00 -0.63 0.00 0.00 39.34 35.97 3dmf n TYR 158 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3dmf s GLY 159 N 1.00 0.05 -0.10 2.98 0.00 -1.26 -1.30 107.32 108.69 3dmf s GLY 159 Ca 0.75 -0.09 -0.11 0.00 0.00 0.00 0.00 44.72 45.26 3dmf s GLY 159 CO 0.36 -0.17 0.31 0.54 0.00 0.00 0.00 173.10 174.14 3dmf s VAL 160 N -0.82 0.01 0.17 1.40 0.11 -0.55 -4.99 120.40 115.74 3dmf s VAL 160 Ca -0.09 -0.10 -0.31 0.00 -2.93 0.00 0.00 61.98 58.55 3dmf s VAL 160 Cb -0.05 -0.47 -0.10 0.00 -1.53 0.00 0.00 36.38 34.23 3dmf s VAL 160 CO 0.00 -0.05 1.55 -0.69 -3.33 0.00 0.00 175.10 172.58 3dmf s VAL 161 N -0.11 2.66 -0.29 2.04 1.01 -1.26 -0.63 120.40 123.81 3dmf s VAL 161 Ca -0.03 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.47 3dmf s VAL 161 Cb -0.03 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3dmf s VAL 161 CO 0.01 0.04 0.32 1.33 0.00 0.00 0.00 175.10 176.80 3dmf n VAL 162 N 3.89 0.00 -3.58 2.92 0.24 0.47 -4.90 118.33 117.37 3dmf n VAL 162 Ca 0.13 -0.44 -0.16 0.00 -2.04 0.00 0.00 64.34 61.83 3dmf n VAL 162 Cb 0.39 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.72 3dmf n VAL 162 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3dmf s ARG 163 N -1.00 0.93 -0.05 7.34 6.06 -1.02 -4.99 118.95 126.22 3dmf s ARG 163 Ca 0.03 0.60 -0.06 0.00 -2.50 0.00 0.00 55.73 53.79 3dmf s ARG 163 Cb 0.03 0.44 0.01 0.00 0.06 0.00 0.00 34.95 35.50 3dmf s ARG 163 CO 0.12 -0.21 0.17 -0.98 -2.50 0.00 0.00 175.30 171.89 3dmf s ARG 164 N -0.44 0.27 -0.25 5.12 1.70 -1.26 -1.25 118.95 122.83 3dmf s ARG 164 Ca -0.05 0.10 -0.04 0.00 -0.47 0.00 0.00 55.73 55.27 3dmf s ARG 164 Cb -0.02 0.12 0.14 0.00 -0.57 0.00 0.00 34.95 34.62 3dmf s ARG 164 CO 0.05 -0.04 0.45 -2.00 -1.08 0.00 0.00 175.30 172.68 3dmf s GLU 165 N -0.23 0.41 6.07 3.89 2.56 -0.73 -5.02 118.70 125.64 3dmf s GLU 165 Ca -0.03 0.80 0.00 0.00 0.00 0.00 0.00 54.97 55.74 3dmf s GLU 165 Cb -0.03 0.01 0.00 0.00 2.00 0.00 0.00 34.13 36.11 3dmf s GLU 165 CO 0.01 -0.53 0.00 0.41 -0.56 0.00 0.00 175.26 174.59 3dmf n GLY 166 N 5.39 3.43 0.14 -1.50 0.00 -1.26 -0.88 105.19 110.51 3dmf n GLY 166 Ca -0.05 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.09 3dmf n GLY 166 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dmf n PRO 167 N 14.00 0.93 -3.31 1.61 -0.04 -1.26 -4.91 135.00 142.01 3dmf n PRO 167 Ca 0.00 -0.29 -0.33 0.00 -0.04 0.00 0.00 63.50 62.84 3dmf n PRO 167 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3dmf n PRO 167 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3dmf s TYR 168 N -2.27 3.49 -0.02 0.54 2.02 -0.06 -0.57 117.35 120.48 3dmf s TYR 168 Ca 0.36 1.05 -0.04 0.00 -0.37 0.00 0.00 57.07 58.06 3dmf s TYR 168 Cb 0.21 -2.38 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 3dmf s TYR 168 CO 0.42 0.29 0.10 1.03 -1.57 0.00 0.00 175.55 175.82 3dmf s ARG 169 N -2.51 0.25 -0.08 -0.62 1.81 -0.35 -1.78 118.95 115.67 3dmf s ARG 169 Ca 0.45 -0.10 0.04 0.00 -1.72 0.00 0.00 55.73 54.41 3dmf s ARG 169 Cb -0.13 0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.48 3dmf s ARG 169 CO 0.20 -0.05 -0.21 0.08 -0.68 0.00 0.00 175.30 174.64 3dmf s VAL 170 N -0.53 1.79 0.21 3.52 1.01 -0.38 -1.29 120.40 124.72 3dmf s VAL 170 Ca -0.06 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.15 3dmf s VAL 170 Cb -0.04 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3dmf s VAL 170 CO 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 175.10 175.47 3dmf s ALA 171 N 0.32 2.85 -0.10 5.51 0.00 0.89 -0.40 121.76 130.83 3dmf s ALA 171 Ca -0.14 -1.61 0.04 0.00 0.00 0.00 0.00 51.96 50.24 3dmf s ALA 171 Cb -0.16 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 3dmf s ALA 171 CO 0.06 0.39 -0.23 -1.17 0.00 0.00 0.00 175.76 174.82 3dmf s LEU 172 N -3.05 2.17 0.13 0.00 2.96 0.19 -0.52 118.68 120.57 3dmf s LEU 172 Ca 0.26 -0.52 0.07 0.00 -0.22 0.00 0.00 54.13 53.71 3dmf s LEU 172 Cb -0.08 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 3dmf s LEU 172 CO 0.15 0.17 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.44 3dmf s LEU 173 N 0.28 2.41 -0.07 -0.68 1.02 -0.05 -1.47 118.68 120.12 3dmf s LEU 173 Ca -0.16 -0.82 0.04 0.00 0.02 0.00 0.00 54.13 53.21 3dmf s LEU 173 Cb -0.17 -0.62 -0.02 0.00 0.02 0.00 0.00 46.19 45.40 3dmf s LEU 173 CO 0.08 -0.12 -0.19 -0.70 0.02 0.00 0.00 176.35 175.44 3dmf s GLU 174 N -2.69 2.68 -0.38 1.70 2.12 -0.42 -0.69 118.70 121.02 3dmf s GLU 174 Ca 0.10 -0.80 -0.29 0.00 0.36 0.00 0.00 54.97 54.35 3dmf s GLU 174 Cb -0.05 -2.31 0.01 0.00 0.26 0.00 0.00 34.13 32.04 3dmf s GLU 174 CO 0.04 0.43 1.26 0.21 -0.54 0.00 0.00 175.26 176.66 3dmf s LYS 175 N -0.26 3.79 0.00 4.30 2.20 -0.19 -3.36 119.74 126.23 3dmf s LYS 175 Ca 0.00 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 3dmf s LYS 175 Cb -0.13 -3.91 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 3dmf s LYS 175 CO 0.03 -1.28 0.35 0.39 -0.36 0.00 0.00 175.35 174.47 3dmf n GLU 176 N 7.60 1.47 -4.06 4.03 1.02 0.56 -0.82 120.64 130.44 3dmf n GLU 176 Ca 0.14 -0.35 -0.09 0.00 -0.02 0.00 0.00 57.16 56.85 3dmf n GLU 176 Cb 0.48 -0.85 -0.09 0.00 -0.02 0.00 0.00 31.44 30.96 3dmf n GLU 176 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3dmf s LYS 177 N -0.31 0.90 0.29 3.49 -2.85 -1.17 -5.02 119.74 115.07 3dmf s LYS 177 Ca 0.00 -1.27 -0.29 0.00 -1.00 0.00 0.00 55.97 53.41 3dmf s LYS 177 Cb 0.00 0.28 -0.10 0.00 -2.06 0.00 0.00 37.83 35.95 3dmf s LYS 177 CO 0.00 -0.26 1.20 -2.00 0.10 0.00 0.00 175.35 174.39 3dmf s GLU 178 N -3.98 4.50 0.50 1.78 2.56 -1.26 -4.91 118.70 117.90 3dmf s GLU 178 Ca 0.16 1.99 -0.20 0.00 0.00 0.00 0.00 54.97 56.91 3dmf s GLU 178 Cb 0.06 -3.15 -0.07 0.00 2.00 0.00 0.00 34.13 32.97 3dmf s GLU 178 CO -0.03 0.00 1.10 0.00 -0.56 0.00 0.00 175.26 175.77 3dmf s ALA 179 N -0.97 2.82 0.89 6.30 0.00 -1.26 -5.01 121.76 124.52 3dmf s ALA 179 Ca 0.48 0.76 -0.14 0.00 0.00 0.00 0.00 51.96 53.06 3dmf s ALA 179 Cb -0.35 -3.32 0.14 0.00 0.00 0.00 0.00 23.12 19.58 3dmf s ALA 179 CO 0.45 -0.57 1.22 -1.25 0.00 0.00 0.00 175.76 175.61 3dmf s PRO 180 N -3.13 1.29 0.77 0.00 0.04 -1.26 -4.99 135.00 127.72 3dmf s PRO 180 Ca 0.69 -0.06 -0.13 0.00 0.04 0.00 0.00 61.00 61.55 3dmf s PRO 180 Cb -0.22 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.49 3dmf s PRO 180 CO 0.26 -2.03 1.14 -2.14 0.04 0.00 0.00 177.00 174.27 3dmf s PRO 181 N -5.65 2.05 0.49 0.56 0.02 -1.26 -4.89 135.00 126.32 3dmf s PRO 181 Ca 0.67 1.46 -0.24 0.00 0.02 0.00 0.00 61.00 62.91 3dmf s PRO 181 Cb -0.09 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.51 3dmf s PRO 181 CO 0.51 -1.85 1.32 1.28 -0.33 0.00 0.00 177.00 177.94 3dmf n LEU 182 N -3.24 4.83 -4.71 -5.54 4.77 -1.26 -4.99 117.00 106.86 3dmf n LEU 182 Ca 0.11 1.05 -0.30 0.00 -0.03 0.00 0.00 56.01 56.83 3dmf n LEU 182 Cb 0.52 -1.55 0.14 0.00 -2.33 0.00 0.00 43.42 40.20 3dmf n LEU 182 CO 0.50 -0.57 0.67 -2.84 -1.33 0.00 0.00 177.39 173.81 3dmf s PRO 183 N -2.55 1.39 0.25 3.23 0.02 -1.26 -4.95 135.00 131.13 3dmf s PRO 183 Ca 0.66 1.11 -0.31 0.00 0.02 0.00 0.00 61.00 62.48 3dmf s PRO 183 Cb -0.45 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.15 3dmf s PRO 183 CO 0.54 -2.23 1.67 0.45 -0.33 0.00 0.00 177.00 177.10 3dmf n SER 184 N -3.91 3.96 -0.06 2.53 2.88 -1.26 -4.92 113.62 112.84 3dmf n SER 184 Ca 0.08 1.10 -0.05 0.00 -1.33 0.00 0.00 58.87 58.67 3dmf n SER 184 Cb 0.54 -1.59 -0.10 0.00 -0.75 0.00 0.00 64.21 62.31 3dmf n SER 184 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3dmf n LEU 185 N 3.18 0.00 -4.78 2.46 4.77 -1.26 -5.00 117.00 116.37 3dmf n LEU 185 Ca 0.13 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.72 3dmf n LEU 185 Cb 0.36 0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 3dmf n LEU 185 CO 0.64 0.28 0.30 0.26 -1.33 0.00 0.00 177.39 177.54 3dmf s TRP 186 N -2.37 3.74 0.25 -1.77 0.52 -1.26 -3.74 118.94 114.31 3dmf s TRP 186 Ca -0.06 1.26 0.12 0.00 0.02 0.00 0.00 56.10 57.43 3dmf s TRP 186 Cb 0.04 -2.59 -0.05 0.00 -1.15 0.00 0.00 33.47 29.73 3dmf s TRP 186 CO 0.52 0.44 -0.21 1.03 0.02 0.00 0.00 176.95 178.75 3dmf s ARG 187 N -0.56 1.60 0.02 4.98 0.52 -0.19 -4.99 118.95 120.32 3dmf s ARG 187 Ca 0.31 -1.68 -0.01 0.00 -0.52 0.00 0.00 55.73 53.84 3dmf s ARG 187 Cb -0.19 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 33.52 3dmf s ARG 187 CO 0.19 0.34 -0.02 0.00 0.02 0.00 0.00 175.30 175.83 3dmf s ALA 188 N -2.27 0.08 0.05 2.13 0.00 -1.26 -1.40 121.76 119.09 3dmf s ALA 188 Ca 0.26 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 3dmf s ALA 188 Cb -0.06 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.20 3dmf s ALA 188 CO 0.13 -0.15 0.23 -0.59 0.00 0.00 0.00 175.76 175.38 3dmf s PHE 189 N -1.32 0.03 0.14 0.00 -0.12 -0.65 -4.99 117.98 111.05 3dmf s PHE 189 Ca -0.14 -0.28 0.02 0.00 -0.05 0.00 0.00 56.93 56.48 3dmf s PHE 189 Cb -0.09 0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.27 3dmf s PHE 189 CO -0.01 -0.48 0.26 -1.12 -0.05 0.00 0.00 175.22 173.82 3dmf s SER 190 N -2.27 6.25 -0.10 1.98 0.01 -1.26 -0.23 113.70 118.07 3dmf s SER 190 Ca -0.03 0.15 -0.20 0.00 1.31 0.00 0.00 55.95 57.18 3dmf s SER 190 Cb 0.00 -1.86 0.05 0.00 0.21 0.00 0.00 66.02 64.42 3dmf s SER 190 CO -0.06 0.07 0.49 0.00 0.41 0.00 0.00 173.24 174.15 3dmf s ALA 191 N -1.71 -1.23 -0.28 1.44 0.00 -0.14 -4.96 121.76 114.88 3dmf s ALA 191 Ca 0.34 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 3dmf s ALA 191 Cb -0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 3dmf s ALA 191 CO 0.28 -0.28 0.18 0.50 0.00 0.00 0.00 175.76 176.44 3dmf s ARG 192 N -0.59 3.85 -0.11 0.00 3.52 -1.26 -0.81 118.95 123.55 3dmf s ARG 192 Ca -0.07 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.17 3dmf s ARG 192 Cb -0.03 -3.63 0.01 0.00 -1.56 0.00 0.00 34.95 29.74 3dmf s ARG 192 CO 0.04 -0.21 -0.17 0.42 -0.81 0.00 0.00 175.30 174.57 3dmf s ILE 193 N 1.73 1.64 -1.54 4.11 1.01 0.42 -4.77 121.20 123.80 3dmf s ILE 193 Ca 0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 3dmf s ILE 193 Cb -0.16 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.85 3dmf s ILE 193 CO 0.10 0.47 0.15 0.18 0.00 0.00 0.00 174.94 175.84 3dmf n LEU 194 N 4.07 -1.26 0.00 2.97 4.77 -1.26 -1.67 117.00 124.61 3dmf n LEU 194 Ca -0.20 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 3dmf n LEU 194 Cb 0.52 -1.75 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 3dmf n LEU 194 CO 0.25 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3dmf n GLY 195 N -2.32 0.84 3.32 -0.72 0.00 -1.26 -5.03 105.19 100.02 3dmf n GLY 195 Ca -0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 3dmf n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmf s ALA 196 N -3.28 1.99 -0.10 4.61 0.00 -0.67 -5.13 121.76 119.18 3dmf s ALA 196 Ca 0.00 -1.30 -0.15 0.00 0.00 0.00 0.00 51.96 50.51 3dmf s ALA 196 Cb 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 3dmf s ALA 196 CO 0.00 0.43 0.37 -1.21 0.00 0.00 0.00 175.76 175.35 3dmf s GLU 197 N -1.85 4.15 0.03 0.00 0.41 -1.26 -0.43 118.70 119.74 3dmf s GLU 197 Ca 0.09 0.28 0.05 0.00 -0.41 0.00 0.00 54.97 54.98 3dmf s GLU 197 Cb -0.10 -3.36 -0.02 0.00 -1.78 0.00 0.00 34.13 28.87 3dmf s GLU 197 CO 0.04 0.37 -0.14 0.71 -0.49 0.00 0.00 175.26 175.75 3dmf s TYR 198 N 0.01 1.21 -0.26 1.61 2.02 0.01 -4.99 117.35 116.95 3dmf s TYR 198 Ca 0.21 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 3dmf s TYR 198 Cb -0.15 -0.73 0.05 0.00 -0.40 0.00 0.00 41.96 40.74 3dmf s TYR 198 CO 0.09 0.02 -0.10 0.99 -1.57 0.00 0.00 175.55 174.98 3dmf s THR 199 N -0.74 2.39 0.25 -0.71 2.01 -1.26 -0.97 115.64 116.61 3dmf s THR 199 Ca 0.02 -1.44 -0.14 0.00 0.31 0.00 0.00 61.69 60.44 3dmf s THR 199 Cb -0.07 -2.33 -0.08 0.00 0.01 0.00 0.00 72.50 70.03 3dmf s THR 199 CO 0.01 0.05 0.65 -0.36 -0.69 0.00 0.00 174.62 174.27 3dmf s PHE 200 N 1.18 3.46 -0.03 4.92 0.08 0.67 -4.79 117.98 123.47 3dmf s PHE 200 Ca -0.06 1.11 0.03 0.00 0.12 0.00 0.00 56.93 58.13 3dmf s PHE 200 Cb -0.19 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.83 3dmf s PHE 200 CO -0.05 0.23 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.18 3dmf s HIS 201 N -1.79 1.09 0.05 0.36 3.76 -1.26 -1.64 115.29 115.85 3dmf s HIS 201 Ca 0.48 -0.28 -0.21 0.00 -0.15 0.00 0.00 55.06 54.91 3dmf s HIS 201 Cb -0.12 -0.76 0.05 0.00 1.11 0.00 0.00 32.58 32.85 3dmf s HIS 201 CO 0.19 -0.11 0.48 -3.38 -0.85 0.00 0.00 174.74 171.07 3dmf s HIS 202 N 0.14 -0.36 0.71 1.40 -3.43 -0.49 -4.49 115.29 108.76 3dmf s HIS 202 Ca -0.03 0.35 -0.05 0.00 -0.80 0.00 0.00 55.06 54.54 3dmf s HIS 202 Cb -0.09 0.30 0.08 0.00 -1.43 0.00 0.00 32.58 31.44 3dmf s HIS 202 CO 0.01 -0.62 1.00 -0.51 -2.00 0.00 0.00 174.74 172.61 3dmf s LEU 203 N -2.04 2.93 0.62 5.38 1.43 -1.26 -1.02 118.68 124.71 3dmf s LEU 203 Ca -0.05 0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 53.05 3dmf s LEU 203 Cb -0.01 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 3dmf s LEU 203 CO -0.03 -1.69 1.22 -2.84 0.23 0.00 0.00 176.35 173.24 3dmf s PRO 204 N -5.20 2.80 0.00 1.29 0.02 -1.25 -3.80 135.00 128.86 3dmf s PRO 204 Ca 0.62 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.48 3dmf s PRO 204 Cb -0.09 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3dmf s PRO 204 CO 0.44 -1.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.17 3dmf n GLY 205 N 0.51 0.61 3.73 0.52 0.00 -1.25 -4.83 105.19 104.48 3dmf n GLY 205 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3dmf n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dmf s VAL 206 N -2.20 2.77 0.30 1.61 -7.23 -1.25 -4.87 120.40 109.52 3dmf s VAL 206 Ca 0.00 0.27 -0.29 0.00 -1.81 0.00 0.00 61.98 60.15 3dmf s VAL 206 Cb 0.00 -2.60 -0.10 0.00 0.56 0.00 0.00 36.38 34.24 3dmf s VAL 206 CO 0.00 -0.30 1.38 0.12 -0.31 0.00 0.00 175.10 175.98 3dmf s PHE 207 N -2.67 3.00 -1.30 2.82 5.36 -1.26 -3.71 117.98 120.21 3dmf s PHE 207 Ca 0.65 1.23 -0.01 0.00 -0.96 0.00 0.00 56.93 57.84 3dmf s PHE 207 Cb -0.21 -3.77 -0.00 0.00 -0.34 0.00 0.00 43.02 38.71 3dmf s PHE 207 CO 0.54 -2.30 0.69 0.45 -1.46 0.00 0.00 175.22 173.15 3dmf n SER 208 N 1.44 -1.25 -4.70 6.13 2.88 -1.26 -4.84 113.62 112.02 3dmf n SER 208 Ca 0.03 -0.83 -0.43 0.00 -1.33 0.00 0.00 58.87 56.31 3dmf n SER 208 Cb 0.41 -4.01 -0.01 0.00 -0.75 0.00 0.00 64.21 59.84 3dmf n SER 208 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dmf n ALA 209 N -4.26 1.37 -0.06 -1.46 0.00 -1.24 -3.40 120.51 111.46 3dmf n ALA 209 Ca -0.30 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3dmf n ALA 209 Cb 0.68 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3dmf n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dmf n GLY 210 N 1.18 2.25 3.50 0.00 0.00 -1.26 -4.96 105.19 105.89 3dmf n GLY 210 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 3dmf n GLY 210 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dmf s LYS 211 N -0.21 1.05 0.02 1.61 -2.85 -1.22 -4.89 119.74 113.24 3dmf s LYS 211 Ca 0.00 -0.01 -0.30 0.00 -1.00 0.00 0.00 55.97 54.66 3dmf s LYS 211 Cb 0.00 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 3dmf s LYS 211 CO 0.00 -0.38 1.17 0.08 0.10 0.00 0.00 175.35 176.32 3dmf s VAL 212 N -2.07 4.22 0.18 1.79 1.01 -1.26 -4.84 120.40 119.43 3dmf s VAL 212 Ca -0.05 1.58 -0.32 0.00 0.00 0.00 0.00 61.98 63.19 3dmf s VAL 212 Cb -0.00 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.25 3dmf s VAL 212 CO 0.01 0.09 1.63 -0.62 0.00 0.00 0.00 175.10 176.21 3dmf s ASP 213 N 1.15 6.50 0.45 3.32 2.15 -1.26 -4.89 116.67 124.09 3dmf s ASP 213 Ca 0.57 2.72 0.18 0.00 0.43 0.00 0.00 52.55 56.45 3dmf s ASP 213 Cb -0.27 -2.60 1.13 0.00 -0.30 0.00 0.00 42.92 40.88 3dmf s ASP 213 CO 0.27 -0.88 1.92 -0.65 -0.17 0.00 0.00 175.17 175.66 3dmf h PRO 214 N 6.78 0.32 -0.56 4.34 0.11 -2.00 -1.47 132.00 139.52 3dmf h PRO 214 Ca -0.43 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3dmf h PRO 214 Cb 1.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3dmf h PRO 214 CO 0.93 0.21 0.12 0.00 -0.21 0.00 0.00 178.00 179.05 3dmf h ALA 215 N 1.65 0.74 -0.62 -0.75 0.00 -1.99 -0.88 119.26 117.42 3dmf h ALA 215 Ca 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3dmf h ALA 215 Cb 0.94 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3dmf h ALA 215 CO -0.10 0.46 0.31 0.77 0.00 0.00 0.00 179.25 180.69 3dmf h SER 216 N 0.81 0.80 -0.34 0.00 0.02 -1.67 -1.22 113.55 111.95 3dmf h SER 216 Ca 0.17 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3dmf h SER 216 Cb 0.37 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3dmf h SER 216 CO 0.01 0.70 0.19 -0.07 -1.14 0.00 0.00 176.83 176.51 3dmf h LEU 217 N 0.85 0.29 -0.99 5.07 3.38 -1.21 -2.08 115.31 120.62 3dmf h LEU 217 Ca 0.21 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.26 3dmf h LEU 217 Cb 0.10 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3dmf h LEU 217 CO -0.03 0.22 0.64 0.25 0.09 0.00 0.00 178.44 179.61 3dmf h LEU 218 N 0.39 1.03 -0.39 1.67 5.85 -0.77 -0.52 115.31 122.56 3dmf h LEU 218 Ca 0.14 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3dmf h LEU 218 Cb 0.03 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3dmf h LEU 218 CO -0.08 0.66 0.21 0.25 -0.34 0.00 0.00 178.44 179.13 3dmf h LEU 219 N 1.17 0.49 -0.77 2.25 6.46 -0.85 -1.30 115.31 122.75 3dmf h LEU 219 Ca 0.43 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 58.02 3dmf h LEU 219 Cb 0.16 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 3dmf h LEU 219 CO -0.17 0.45 0.18 -0.07 -0.62 0.00 0.00 178.44 178.21 3dmf h LEU 220 N 0.50 1.05 -0.31 2.25 3.38 -0.79 0.44 115.31 121.83 3dmf h LEU 220 Ca 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dmf h LEU 220 Cb 0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3dmf h LEU 220 CO -0.02 1.00 0.17 -0.33 0.09 0.00 0.00 178.44 179.35 3dmf h GLU 221 N 1.06 0.43 -0.62 1.13 5.08 -0.91 -0.40 114.58 120.35 3dmf h GLU 221 Ca 0.22 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 3dmf h GLU 221 Cb 0.35 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3dmf h GLU 221 CO -0.00 0.36 0.13 0.00 -1.00 0.00 0.00 179.01 178.50 3dmf h ALA 222 N 1.04 1.05 -0.01 3.43 0.00 -0.88 -1.16 119.26 122.73 3dmf h ALA 222 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3dmf h ALA 222 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3dmf h ALA 222 CO -0.02 0.62 0.00 1.25 0.00 0.00 0.00 179.25 181.10 3dmf h LEU 223 N 0.94 0.01 -1.06 0.00 6.46 -0.65 -0.57 115.31 120.45 3dmf h LEU 223 Ca 0.20 -0.28 -0.07 0.00 -0.12 0.00 0.00 57.88 57.61 3dmf h LEU 223 Cb 0.37 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 3dmf h LEU 223 CO 0.00 0.29 -0.07 -0.61 -0.62 0.00 0.00 178.44 177.43 3dmf h GLN 224 N -0.26 0.59 -0.42 1.25 4.15 -0.98 0.50 115.11 119.94 3dmf h GLN 224 Ca 0.00 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 3dmf h GLN 224 Cb 0.28 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 3dmf h GLN 224 CO 0.00 0.66 0.12 0.93 -1.93 0.00 0.00 178.83 178.61 3dmf h GLU 225 N 0.55 0.65 -0.16 1.69 5.08 -1.11 0.10 114.58 121.39 3dmf h GLU 225 Ca 0.11 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 3dmf h GLU 225 Cb 0.45 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.62 3dmf h GLU 225 CO 0.02 0.65 -0.54 -0.09 -1.00 0.00 0.00 179.01 178.06 3dmf h ARG 226 N 0.53 0.65 0.00 2.33 2.43 -0.71 -3.36 114.38 116.26 3dmf h ARG 226 Ca 0.13 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3dmf h ARG 226 Cb 0.28 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3dmf h ARG 226 CO -0.00 1.11 -1.78 1.28 -1.51 0.00 0.00 179.97 179.06 3dmf n LEU 227 N -4.15 0.21 0.00 3.80 4.77 0.13 -5.10 117.00 116.66 3dmf n LEU 227 Ca -0.07 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3dmf n LEU 227 Cb 0.62 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3dmf n LEU 227 CO 0.48 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3dmf n GLY 228 N 1.30 -0.71 0.32 -0.72 0.00 0.35 -3.38 105.19 102.36 3dmf n GLY 228 Ca -0.02 -1.60 0.20 0.00 0.00 0.00 0.00 46.02 44.59 3dmf n GLY 228 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dmf h PRO 229 N 0.00 0.00 -0.20 1.61 0.13 -1.95 -1.07 132.00 130.52 3dmf h PRO 229 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3dmf h PRO 229 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3dmf h PRO 229 CO 0.00 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.17 3dmf n GLU 230 N -3.32 2.33 0.00 0.86 -0.58 -1.26 -4.62 120.64 114.05 3dmf n GLU 230 Ca -0.03 -2.06 0.10 0.00 -0.42 0.00 0.00 57.16 54.76 3dmf n GLU 230 Cb 0.11 -1.47 0.52 0.00 -0.57 0.00 0.00 31.44 30.03 3dmf n GLU 230 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dmf n GLY 231 N 1.37 -1.01 0.00 0.62 0.00 -0.41 -2.70 105.19 103.07 3dmf n GLY 231 Ca 0.16 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.13 3dmf n GLY 231 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dmf n VAL 232 N -1.31 0.00 -1.75 1.61 0.31 -1.26 -4.92 118.33 111.00 3dmf n VAL 232 Ca 0.09 -0.25 -0.42 0.00 -0.01 0.00 0.00 64.34 63.76 3dmf n VAL 232 Cb 0.18 0.62 -0.03 0.00 -0.91 0.00 0.00 33.84 33.69 3dmf n VAL 232 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3dmf s ARG 233 N -2.24 4.14 0.00 5.55 3.52 -1.10 -1.66 118.95 127.16 3dmf s ARG 233 Ca -0.00 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 3dmf s ARG 233 Cb 0.06 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 3dmf s ARG 233 CO 0.36 -0.77 0.00 0.41 -0.81 0.00 0.00 175.30 174.49 3dmf n GLY 234 N 4.05 0.67 3.84 8.12 0.00 0.18 -4.90 105.19 117.15 3dmf n GLY 234 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3dmf n GLY 234 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dmf s ARG 235 N -0.32 4.02 -0.21 1.61 1.81 -0.66 -4.75 118.95 120.44 3dmf s ARG 235 Ca 0.00 0.58 -0.23 0.00 -1.72 0.00 0.00 55.73 54.37 3dmf s ARG 235 Cb 0.00 -2.79 -0.02 0.00 -0.45 0.00 0.00 34.95 31.69 3dmf s ARG 235 CO 0.00 0.38 0.73 -0.65 -0.68 0.00 0.00 175.30 175.07 3dmf s GLN 236 N -2.27 4.20 -0.06 3.54 -0.21 -1.26 -0.42 119.66 123.18 3dmf s GLN 236 Ca 0.43 0.78 0.05 0.00 0.02 0.00 0.00 55.36 56.64 3dmf s GLN 236 Cb -0.14 -3.61 -0.02 0.00 1.00 0.00 0.00 33.01 30.25 3dmf s GLN 236 CO 0.20 -0.36 -0.22 0.08 -2.12 0.00 0.00 175.29 172.86 3dmf s VAL 237 N 2.32 2.35 -0.17 1.09 1.01 -0.15 -0.40 120.40 126.45 3dmf s VAL 237 Ca 0.32 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 3dmf s VAL 237 Cb -0.16 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3dmf s VAL 237 CO 0.10 0.57 -0.06 -0.22 0.00 0.00 0.00 175.10 175.49 3dmf s LEU 238 N -0.28 3.02 -0.39 3.92 2.96 -0.60 -0.76 118.68 126.55 3dmf s LEU 238 Ca 0.00 -0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.59 3dmf s LEU 238 Cb -0.13 -1.73 0.07 0.00 0.50 0.00 0.00 46.19 44.90 3dmf s LEU 238 CO 0.03 0.12 0.21 -0.62 -1.32 0.00 0.00 176.35 174.76 3dmf s ASP 239 N 0.65 5.51 -0.39 3.68 -1.08 -0.27 -1.13 116.67 123.64 3dmf s ASP 239 Ca -0.04 -1.46 -0.26 0.00 -0.52 0.00 0.00 52.55 50.27 3dmf s ASP 239 Cb -0.15 -1.94 0.02 0.00 -1.46 0.00 0.00 42.92 39.39 3dmf s ASP 239 CO 0.02 -0.48 0.97 -0.76 0.52 0.00 0.00 175.17 175.44 3dmf s LEU 240 N 1.39 3.95 -0.02 -1.34 1.43 -0.59 -1.72 118.68 121.78 3dmf s LEU 240 Ca 0.02 0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 53.67 3dmf s LEU 240 Cb -0.22 -3.32 -0.00 0.00 0.03 0.00 0.00 46.19 42.68 3dmf s LEU 240 CO 0.02 -0.94 0.02 0.61 0.23 0.00 0.00 176.35 176.29 3dmf n GLY 241 N 4.46 0.64 0.25 -3.19 0.00 0.33 -4.37 105.19 103.31 3dmf n GLY 241 Ca 0.08 -0.25 0.16 0.00 0.00 0.00 0.00 46.02 46.01 3dmf n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmf h ALA 242 N 0.00 1.00 -0.74 4.61 0.00 -1.40 -3.45 119.26 119.28 3dmf h ALA 242 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dmf h ALA 242 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3dmf h ALA 242 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3dmf n GLY 243 N 0.22 1.83 0.17 0.00 0.00 -1.26 -1.62 105.19 104.52 3dmf n GLY 243 Ca 0.01 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.66 3dmf n GLY 243 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3dmf n TYR 244 N 7.54 0.08 0.00 1.61 0.18 -1.26 -4.15 117.16 121.15 3dmf n TYR 244 Ca 0.00 -0.04 0.00 0.00 1.88 0.00 0.00 57.90 59.74 3dmf n TYR 244 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3dmf n TYR 244 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3dmf n GLY 245 N 0.85 1.77 0.30 -7.48 0.00 -0.64 -4.09 105.19 95.89 3dmf n GLY 245 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 3dmf n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmf h ALA 246 N 0.00 1.60 0.08 4.61 0.00 -1.91 0.05 119.26 123.69 3dmf h ALA 246 Ca 0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 54.91 54.47 3dmf h ALA 246 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3dmf h ALA 246 CO 0.00 0.33 -2.04 1.28 0.00 0.00 0.00 179.25 178.82 3dmf n LEU 247 N -4.41 2.22 -0.06 0.00 4.77 -1.26 -4.42 117.00 113.83 3dmf n LEU 247 Ca 0.03 0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 3dmf n LEU 247 Cb 0.12 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 3dmf n LEU 247 CO 0.36 0.76 0.92 0.74 -1.33 0.00 0.00 177.39 178.84 3dmf h THR 248 N 0.04 1.12 0.18 -5.08 2.02 -1.75 -2.43 112.91 107.01 3dmf h THR 248 Ca -0.43 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 3dmf h THR 248 Cb 2.02 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 3dmf h THR 248 CO 0.06 0.11 -0.09 -0.07 0.37 0.00 0.00 175.52 175.90 3dmf h LEU 249 N 0.26 -0.20 -0.92 2.58 4.07 -1.24 -1.14 115.31 118.73 3dmf h LEU 249 Ca 0.08 -0.18 0.05 0.00 0.08 0.00 0.00 57.88 57.91 3dmf h LEU 249 Cb 0.07 0.05 -0.06 0.00 1.08 0.00 0.00 40.66 41.80 3dmf h LEU 249 CO -0.01 0.08 0.59 -0.65 -1.08 0.00 0.00 178.44 177.36 3dmf h PRO 250 N -0.49 1.07 -0.70 1.13 0.11 -1.77 -0.04 132.00 131.32 3dmf h PRO 250 Ca -0.02 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 3dmf h PRO 250 Cb 0.37 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 3dmf h PRO 250 CO 0.04 0.71 0.21 -0.07 -0.21 0.00 0.00 178.00 178.69 3dmf h LEU 251 N 1.11 1.02 -0.47 2.35 3.38 -1.33 0.36 115.31 121.72 3dmf h LEU 251 Ca 0.38 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3dmf h LEU 251 Cb 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3dmf h LEU 251 CO -0.15 0.95 0.27 0.00 0.09 0.00 0.00 178.44 179.60 3dmf h ALA 252 N 1.18 0.60 -0.45 1.53 0.00 -0.69 -1.47 119.26 119.97 3dmf h ALA 252 Ca 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3dmf h ALA 252 Cb 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3dmf h ALA 252 CO -0.01 0.10 0.13 -0.09 0.00 0.00 0.00 179.25 179.38 3dmf h ARG 253 N 0.62 0.67 0.00 0.00 9.65 -0.32 -0.89 114.38 124.10 3dmf h ARG 253 Ca 0.17 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 3dmf h ARG 253 Cb 0.02 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 3dmf h ARG 253 CO -0.03 0.59 0.00 -1.33 2.80 0.00 0.00 179.97 182.00 3dmf n MET 254 N -4.32 0.67 -0.24 0.20 2.81 0.05 -4.88 117.12 111.42 3dmf n MET 254 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 3dmf n MET 254 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3dmf n MET 254 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dmf n GLY 255 N 0.36 0.88 3.80 3.03 0.00 -0.34 -3.63 105.19 109.28 3dmf n GLY 255 Ca 0.16 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3dmf n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmf s ALA 256 N -2.00 2.69 -0.60 4.61 0.00 -0.57 -0.65 121.76 125.23 3dmf s ALA 256 Ca 0.00 0.43 -0.19 0.00 0.00 0.00 0.00 51.96 52.20 3dmf s ALA 256 Cb 0.00 -3.25 0.10 0.00 0.00 0.00 0.00 23.12 19.97 3dmf s ALA 256 CO 0.00 -0.90 0.72 -2.00 0.00 0.00 0.00 175.76 173.58 3dmf s GLU 257 N -4.07 3.06 -0.12 0.00 2.12 0.44 -4.52 118.70 115.60 3dmf s GLU 257 Ca 0.64 -1.32 -0.04 0.00 0.36 0.00 0.00 54.97 54.61 3dmf s GLU 257 Cb -0.17 -4.28 -0.04 0.00 0.26 0.00 0.00 34.13 29.91 3dmf s GLU 257 CO 0.38 -1.56 0.03 0.08 -0.54 0.00 0.00 175.26 173.65 3dmf s VAL 258 N 2.72 4.58 -0.18 3.70 1.01 -1.26 -0.98 120.40 129.99 3dmf s VAL 258 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 3dmf s VAL 258 Cb -0.24 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3dmf s VAL 258 CO 0.06 0.57 -0.13 -0.69 0.00 0.00 0.00 175.10 174.91 3dmf s VAL 259 N -0.53 2.77 -0.17 2.92 1.01 0.06 -1.70 120.40 124.76 3dmf s VAL 259 Ca 0.10 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 3dmf s VAL 259 Cb -0.12 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 3dmf s VAL 259 CO 0.02 0.49 0.14 -0.83 0.00 0.00 0.00 175.10 174.92 3dmf s GLY 260 N 1.17 2.08 -0.09 4.51 0.00 0.77 -1.11 107.32 114.65 3dmf s GLY 260 Ca 0.01 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.08 3dmf s GLY 260 CO -0.05 -0.02 -0.14 -1.34 0.00 0.00 0.00 173.10 171.56 3dmf s VAL 261 N -0.08 3.05 -0.16 1.40 -7.23 -0.70 -0.63 120.40 116.06 3dmf s VAL 261 Ca 0.10 -0.70 -0.08 0.00 -1.81 0.00 0.00 61.98 59.50 3dmf s VAL 261 Cb -0.11 -2.23 0.06 0.00 0.56 0.00 0.00 36.38 34.65 3dmf s VAL 261 CO 0.00 0.56 0.38 -0.70 -0.31 0.00 0.00 175.10 175.02 3dmf s GLU 262 N -0.20 0.34 0.36 4.82 2.56 -0.48 -0.51 118.70 125.60 3dmf s GLU 262 Ca 0.00 0.76 0.19 0.00 0.00 0.00 0.00 54.97 55.93 3dmf s GLU 262 Cb -0.13 -0.01 0.42 0.00 2.00 0.00 0.00 34.13 36.40 3dmf s GLU 262 CO 0.03 -0.17 1.61 0.22 -0.56 0.00 0.00 175.26 176.38 3dmf h ASP 263 N 7.29 0.00 -3.70 -1.70 3.58 -1.76 -0.09 116.42 120.04 3dmf h ASP 263 Ca -0.35 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.47 3dmf h ASP 263 Cb 1.17 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.07 3dmf h ASP 263 CO 0.29 0.35 -0.24 -0.62 -2.88 0.00 0.00 179.24 176.14 3dmf s ASP 264 N -6.34 6.23 0.28 2.28 2.15 -1.26 -0.92 116.67 119.09 3dmf s ASP 264 Ca 0.03 0.12 0.01 0.00 0.43 0.00 0.00 52.55 53.15 3dmf s ASP 264 Cb 0.08 -2.21 0.56 0.00 -0.30 0.00 0.00 42.92 41.05 3dmf s ASP 264 CO 0.70 -0.25 1.83 0.25 -0.17 0.00 0.00 175.17 177.53 3dmf h LEU 265 N 8.68 0.92 -0.90 -1.34 5.85 -1.23 -0.83 115.31 126.46 3dmf h LEU 265 Ca -0.31 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 3dmf h LEU 265 Cb 1.15 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3dmf h LEU 265 CO 0.66 0.48 0.34 0.00 -0.34 0.00 0.00 178.44 179.59 3dmf h ALA 266 N 1.54 1.14 -0.47 1.25 0.00 -1.94 -1.11 119.26 119.67 3dmf h ALA 266 Ca 0.50 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 3dmf h ALA 266 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3dmf h ALA 266 CO -0.27 0.64 -0.12 0.77 0.00 0.00 0.00 179.25 180.26 3dmf h SER 267 N 1.12 0.92 -0.28 0.00 0.02 -1.62 -1.46 113.55 112.24 3dmf h SER 267 Ca 0.26 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3dmf h SER 267 Cb 0.16 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 3dmf h SER 267 CO -0.03 1.07 0.13 0.58 -1.14 0.00 0.00 176.83 177.44 3dmf h VAL 268 N 0.76 0.97 -0.47 2.27 2.07 -0.75 -0.00 116.25 121.09 3dmf h VAL 268 Ca 0.12 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3dmf h VAL 268 Cb 0.67 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3dmf h VAL 268 CO 0.05 0.05 0.10 -0.07 0.02 0.00 0.00 177.57 177.71 3dmf h LEU 269 N 0.27 0.66 -0.10 2.57 3.38 -1.12 -0.81 115.31 120.16 3dmf h LEU 269 Ca 0.12 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dmf h LEU 269 Cb 0.06 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3dmf h LEU 269 CO -0.10 0.67 0.06 0.28 0.09 0.00 0.00 178.44 179.43 3dmf h SER 270 N 0.69 0.13 -0.53 -0.43 0.02 -0.79 -1.23 113.55 111.40 3dmf h SER 270 Ca 0.15 -0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3dmf h SER 270 Cb 0.28 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 3dmf h SER 270 CO 0.00 0.17 0.30 0.25 -1.14 0.00 0.00 176.83 176.41 3dmf h LEU 271 N 0.07 0.47 -0.55 5.07 5.85 -0.58 -0.87 115.31 124.76 3dmf h LEU 271 Ca 0.04 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3dmf h LEU 271 Cb 0.07 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3dmf h LEU 271 CO -0.01 0.33 0.33 1.56 -0.34 0.00 0.00 178.44 180.31 3dmf h GLN 272 N 0.59 0.64 -0.62 1.25 4.20 -0.92 0.11 115.11 120.36 3dmf h GLN 272 Ca 0.22 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 3dmf h GLN 272 Cb 0.07 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3dmf h GLN 272 CO -0.12 0.42 0.17 -0.22 -0.67 0.00 0.00 178.83 178.41 3dmf h LYS 273 N 0.65 0.97 -0.57 1.46 3.64 -0.91 -2.21 116.57 119.62 3dmf h LYS 273 Ca 0.22 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3dmf h LYS 273 Cb 0.02 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3dmf h LYS 273 CO -0.09 0.88 0.28 0.78 -2.27 0.00 0.00 179.45 179.03 3dmf h GLY 274 N 0.89 0.86 0.83 5.01 0.00 -0.65 -0.62 103.07 109.40 3dmf h GLY 274 Ca 0.20 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.14 3dmf h GLY 274 CO -0.00 0.40 0.27 1.41 0.00 0.00 0.00 176.54 178.61 3dmf h LEU 275 N 0.77 0.41 -0.04 3.11 3.38 -0.77 -1.74 115.31 120.43 3dmf h LEU 275 Ca 0.20 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3dmf h LEU 275 Cb 0.10 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dmf h LEU 275 CO -0.03 0.29 0.02 -0.33 0.09 0.00 0.00 178.44 178.48 3dmf h GLU 276 N 0.53 0.05 0.00 1.13 5.08 -1.24 0.84 114.58 120.97 3dmf h GLU 276 Ca 0.20 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3dmf h GLU 276 Cb 0.06 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3dmf h GLU 276 CO -0.11 0.11 -0.09 0.00 -1.00 0.00 0.00 179.01 177.91 3dmf h ALA 277 N 0.94 1.39 -0.37 3.43 0.00 -0.84 -2.15 119.26 121.67 3dmf h ALA 277 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dmf h ALA 277 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dmf h ALA 277 CO -0.00 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.45 3dmf n ASN 278 N -3.77 3.17 -3.78 0.00 3.02 -0.68 -4.98 115.26 108.25 3dmf n ASN 278 Ca -0.02 -1.91 -0.23 0.00 -0.03 0.00 0.00 54.58 52.39 3dmf n ASN 278 Cb 0.20 -0.24 0.02 0.00 -0.61 0.00 0.00 39.78 39.14 3dmf n ASN 278 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dmf n ALA 279 N 1.14 -2.03 -2.42 5.41 0.00 -0.79 -5.01 120.51 116.82 3dmf n ALA 279 Ca 0.16 -0.20 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 3dmf n ALA 279 Cb 0.52 -1.83 -0.13 0.00 0.00 0.00 0.00 19.45 18.00 3dmf n ALA 279 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dmf s LEU 280 N -6.76 2.30 -0.13 0.00 1.43 0.22 -5.04 118.68 110.70 3dmf s LEU 280 Ca 0.01 -0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 52.39 3dmf s LEU 280 Cb -0.00 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 3dmf s LEU 280 CO 0.84 0.16 -0.13 -0.54 0.23 0.00 0.00 176.35 176.91 3dmf s LYS 281 N -1.93 3.37 0.17 1.70 3.01 -1.26 -4.36 119.74 120.44 3dmf s LYS 281 Ca 0.12 -0.69 -0.21 0.00 -1.01 0.00 0.00 55.97 54.18 3dmf s LYS 281 Cb -0.10 -2.64 0.06 0.00 -1.01 0.00 0.00 37.83 34.14 3dmf s LYS 281 CO 0.05 0.19 0.57 0.00 0.51 0.00 0.00 175.35 176.67 3dmf s ALA 282 N 0.41 -1.40 -0.23 5.17 0.00 -1.26 -4.70 121.76 119.76 3dmf s ALA 282 Ca -0.10 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 51.92 3dmf s ALA 282 Cb -0.16 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 3dmf s ALA 282 CO 0.05 -0.78 0.64 -0.65 0.00 0.00 0.00 175.76 175.02 3dmf s GLN 283 N -3.79 4.16 -0.52 0.00 -0.21 -0.69 -5.00 119.66 113.62 3dmf s GLN 283 Ca 0.03 0.59 -0.06 0.00 0.02 0.00 0.00 55.36 55.94 3dmf s GLN 283 Cb -0.01 -3.62 0.13 0.00 1.00 0.00 0.00 33.01 30.52 3dmf s GLN 283 CO -0.10 -0.34 0.36 0.00 -2.12 0.00 0.00 175.29 173.09 3dmf s ALA 284 N 2.26 3.43 -0.16 6.09 0.00 -1.26 -0.16 121.76 131.95 3dmf s ALA 284 Ca 0.28 -2.76 -0.08 0.00 0.00 0.00 0.00 51.96 49.40 3dmf s ALA 284 Cb -0.16 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 3dmf s ALA 284 CO 0.09 -1.95 0.11 -0.51 0.00 0.00 0.00 175.76 173.50 3dmf s LEU 285 N 0.90 4.16 -0.43 0.00 1.43 0.20 -5.00 118.68 119.94 3dmf s LEU 285 Ca 0.10 0.29 -0.24 0.00 -1.03 0.00 0.00 54.13 53.24 3dmf s LEU 285 Cb -0.23 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 43.97 3dmf s LEU 285 CO -0.03 0.28 0.87 -2.28 0.23 0.00 0.00 176.35 175.42 3dmf s HIS 286 N -0.26 2.99 -0.23 0.29 5.65 -1.26 -1.38 115.29 121.09 3dmf s HIS 286 Ca 0.10 0.39 -0.21 0.00 0.25 0.00 0.00 55.06 55.60 3dmf s HIS 286 Cb -0.12 -3.77 0.06 0.00 -1.18 0.00 0.00 32.58 27.58 3dmf s HIS 286 CO 0.01 -0.98 0.60 0.45 -0.65 0.00 0.00 174.74 174.17 3dmf s SER 287 N 2.12 -0.64 -0.62 9.88 0.15 -0.05 -4.81 113.70 119.74 3dmf s SER 287 Ca 0.34 1.22 -0.24 0.00 0.70 0.00 0.00 55.95 57.97 3dmf s SER 287 Cb -0.11 1.23 0.05 0.00 -1.71 0.00 0.00 66.02 65.47 3dmf s SER 287 CO 0.23 -0.21 1.01 -0.62 1.20 0.00 0.00 173.24 174.85 3dmf s ASP 288 N 0.39 6.26 1.08 5.45 2.15 -1.26 -2.33 116.67 128.41 3dmf s ASP 288 Ca -0.01 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.40 3dmf s ASP 288 Cb -0.04 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 3dmf s ASP 288 CO -0.00 -1.40 0.00 0.52 -0.17 0.00 0.00 175.17 174.12 3dmf n VAL 289 N 6.14 0.00 -0.80 1.11 0.31 -1.26 -1.44 118.33 122.40 3dmf n VAL 289 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.39 3dmf n VAL 289 Cb 0.47 0.00 0.37 0.00 -0.91 0.00 0.00 33.84 33.77 3dmf n VAL 289 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3dmf n ASP 290 N 5.63 5.40 -0.00 4.52 5.75 -1.26 -4.56 116.55 132.03 3dmf n ASP 290 Ca 0.00 -2.91 0.08 0.00 -0.01 0.00 0.00 54.79 51.95 3dmf n ASP 290 Cb 0.00 -0.68 0.48 0.00 -1.03 0.00 0.00 41.12 39.89 3dmf n ASP 290 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3dmf h GLU 291 N 3.65 0.42 0.00 0.11 4.22 -1.59 -2.12 114.58 119.27 3dmf h GLU 291 Ca 0.03 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3dmf h GLU 291 Cb 1.94 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.10 3dmf h GLU 291 CO 0.49 0.28 0.00 0.00 -2.18 0.00 0.00 179.01 177.60 3dmf n ALA 292 N -2.50 2.16 -1.85 2.92 0.00 -1.26 -4.86 120.51 115.11 3dmf n ALA 292 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 3dmf n ALA 292 Cb 0.19 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 3dmf n ALA 292 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dmf s LEU 293 N -4.60 3.62 0.82 0.00 1.43 -0.80 -5.05 118.68 114.10 3dmf s LEU 293 Ca 0.09 1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 54.63 3dmf s LEU 293 Cb 0.11 -4.49 0.09 0.00 0.03 0.00 0.00 46.19 41.93 3dmf s LEU 293 CO 0.56 -0.59 1.13 0.42 0.23 0.00 0.00 176.35 178.11 3dmf s THR 294 N -2.63 2.64 0.41 5.49 -4.23 -1.26 -4.92 115.64 111.15 3dmf s THR 294 Ca 0.59 0.23 0.11 0.00 -1.18 0.00 0.00 61.69 61.43 3dmf s THR 294 Cb -0.10 -2.53 0.31 0.00 1.34 0.00 0.00 72.50 71.52 3dmf s THR 294 CO 0.32 -0.25 1.97 -0.08 -0.54 0.00 0.00 174.62 176.04 3dmf h GLU 295 N -1.24 0.52 0.00 3.99 4.81 -1.97 -3.12 114.58 117.58 3dmf h GLU 295 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3dmf h GLU 295 Cb 1.26 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3dmf h GLU 295 CO 0.47 0.34 -0.60 -0.85 -0.73 0.00 0.00 179.01 177.65 3dmf n GLU 296 N -4.48 0.02 -1.69 1.92 0.00 -1.26 -4.94 120.64 110.22 3dmf n GLU 296 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.82 3dmf n GLU 296 Cb 0.31 -1.51 -0.04 0.00 0.00 0.00 0.00 31.44 30.21 3dmf n GLU 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dmf n ALA 297 N -1.53 2.00 -2.33 -1.84 0.00 -1.18 -5.00 120.51 110.63 3dmf n ALA 297 Ca 0.05 0.38 -0.17 0.00 0.00 0.00 0.00 53.44 53.70 3dmf n ALA 297 Cb 0.34 -2.48 -0.10 0.00 0.00 0.00 0.00 19.45 17.21 3dmf n ALA 297 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dmf s ARG 298 N 1.76 1.33 0.05 0.00 1.81 -1.26 -4.85 118.95 117.80 3dmf s ARG 298 Ca 0.80 -1.67 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 3dmf s ARG 298 Cb -0.57 -0.68 -0.03 0.00 -0.45 0.00 0.00 34.95 33.21 3dmf s ARG 298 CO 0.37 -0.06 -0.04 -0.06 -0.68 0.00 0.00 175.30 174.82 3dmf s PHE 299 N -3.36 0.54 -0.03 -0.53 0.08 0.13 -4.93 117.98 109.89 3dmf s PHE 299 Ca 0.27 -0.81 -0.03 0.00 0.12 0.00 0.00 56.93 56.48 3dmf s PHE 299 Cb 0.05 -0.36 -0.27 0.00 -0.57 0.00 0.00 43.02 41.86 3dmf s PHE 299 CO 0.08 -0.24 0.73 -0.44 -0.10 0.00 0.00 175.22 175.25 3dmf h ASP 300 N 3.71 0.39 -3.73 1.36 3.32 -1.05 -1.72 116.42 118.71 3dmf h ASP 300 Ca -0.34 -0.61 -0.37 0.00 0.02 0.00 0.00 57.03 55.73 3dmf h ASP 300 Cb 1.17 -0.13 -0.31 0.00 0.22 0.00 0.00 39.33 40.29 3dmf h ASP 300 CO 0.55 1.52 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.20 3dmf s ILE 301 N -2.60 0.50 -0.06 0.35 1.01 -0.86 -1.22 121.20 118.32 3dmf s ILE 301 Ca -0.12 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.38 3dmf s ILE 301 Cb 0.07 -0.47 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 3dmf s ILE 301 CO 0.84 0.18 -0.19 -0.63 0.00 0.00 0.00 174.94 175.13 3dmf s ILE 302 N 0.34 1.60 0.08 2.92 1.01 -0.07 -1.55 121.20 125.53 3dmf s ILE 302 Ca -0.04 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 59.88 3dmf s ILE 302 Cb -0.08 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 3dmf s ILE 302 CO -0.00 0.46 -0.19 0.68 0.00 0.00 0.00 174.94 175.89 3dmf s VAL 303 N 0.12 1.53 -0.27 2.92 -7.23 -0.28 -1.22 120.40 115.97 3dmf s VAL 303 Ca -0.07 -1.40 -0.20 0.00 -1.81 0.00 0.00 61.98 58.49 3dmf s VAL 303 Cb -0.13 -1.40 0.07 0.00 0.56 0.00 0.00 36.38 35.48 3dmf s VAL 303 CO 0.04 -0.05 0.69 0.28 -0.31 0.00 0.00 175.10 175.74 3dmf s THR 304 N -1.11 -0.00 -0.65 5.32 -1.32 -0.51 -1.54 115.64 115.84 3dmf s THR 304 Ca 0.04 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.43 3dmf s THR 304 Cb -0.10 -0.98 0.17 0.00 -1.51 0.00 0.00 72.50 70.08 3dmf s THR 304 CO 0.03 0.00 0.54 0.21 -2.21 0.00 0.00 174.62 173.19 3dmf s ASN 305 N 0.94 6.01 0.73 8.08 3.84 -1.26 -1.88 114.94 131.40 3dmf s ASN 305 Ca -0.05 -2.42 -0.11 0.00 0.21 0.00 0.00 52.86 50.50 3dmf s ASN 305 Cb -0.05 -2.06 0.03 0.00 -0.55 0.00 0.00 41.25 38.62 3dmf s ASN 305 CO -0.08 -0.58 1.08 -2.84 -2.79 0.00 0.00 177.10 171.88 3dmf s PRO 306 N 0.59 2.60 0.76 0.43 0.02 -1.26 -4.93 135.00 133.21 3dmf s PRO 306 Ca 0.13 1.06 -0.13 0.00 0.02 0.00 0.00 61.00 62.07 3dmf s PRO 306 Cb -0.19 -1.94 0.05 0.00 0.02 0.00 0.00 34.50 32.44 3dmf s PRO 306 CO -0.04 -1.37 1.15 -1.25 -0.33 0.00 0.00 177.00 175.16 3dmf s PRO 307 N -4.98 2.09 0.04 5.54 0.04 -1.26 -5.04 135.00 131.43 3dmf s PRO 307 Ca 0.60 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 63.03 3dmf s PRO 307 Cb -0.16 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.55 3dmf s PRO 307 CO 0.56 -1.82 0.26 -0.59 0.04 0.00 0.00 177.00 175.45 3dmf s PHE 308 N -2.38 -0.05 -0.28 0.56 -0.12 -1.26 -4.72 117.98 109.73 3dmf s PHE 308 Ca 0.69 -0.09 -0.23 0.00 -0.05 0.00 0.00 56.93 57.25 3dmf s PHE 308 Cb -0.23 0.05 -0.01 0.00 -0.63 0.00 0.00 43.02 42.20 3dmf s PHE 308 CO 0.49 -0.46 0.76 -1.58 -0.05 0.00 0.00 175.22 174.37 3dmf s HIS 309 N -2.41 3.25 0.03 3.49 5.65 -1.26 -4.99 115.29 119.04 3dmf s HIS 309 Ca -0.06 0.89 -0.31 0.00 0.25 0.00 0.00 55.06 55.82 3dmf s HIS 309 Cb -0.02 -3.08 -0.10 0.00 -1.18 0.00 0.00 32.58 28.20 3dmf s HIS 309 CO -0.03 -0.47 1.92 0.28 -0.65 0.00 0.00 174.74 175.80 3dmf n VAL 310 N 5.38 0.64 -0.99 0.89 0.31 -1.26 0.48 118.33 123.78 3dmf n VAL 310 Ca 0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3dmf n VAL 310 Cb 0.48 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 3dmf n VAL 310 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dmf n GLY 311 N 4.44 0.24 3.86 2.92 0.00 -1.26 -5.01 105.19 110.38 3dmf n GLY 311 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3dmf n GLY 311 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dmf s GLY 312 N -2.00 1.89 0.00 -0.02 0.00 0.18 -4.99 107.32 102.37 3dmf s GLY 312 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 44.72 44.84 3dmf s GLY 312 CO 0.00 0.30 0.71 0.00 0.00 0.00 0.00 173.10 174.11 3dmf n ALA 313 N -2.03 2.55 -2.64 3.20 0.00 -1.26 -4.89 120.51 115.43 3dmf n ALA 313 Ca 0.06 -0.52 -0.32 0.00 0.00 0.00 0.00 53.44 52.66 3dmf n ALA 313 Cb 0.54 -0.28 -0.16 0.00 0.00 0.00 0.00 19.45 19.55 3dmf n ALA 313 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dmf s VAL 314 N -0.83 2.28 0.14 0.00 1.01 -1.26 -4.76 120.40 116.98 3dmf s VAL 314 Ca 0.09 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 3dmf s VAL 314 Cb 0.07 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.54 3dmf s VAL 314 CO 0.13 0.57 1.20 -0.63 0.00 0.00 0.00 175.10 176.37 3dmf s ILE 315 N -0.30 3.75 0.52 2.22 1.01 -1.26 -4.72 121.20 122.42 3dmf s ILE 315 Ca 0.01 1.37 -0.20 0.00 0.00 0.00 0.00 60.65 61.83 3dmf s ILE 315 Cb -0.13 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.40 3dmf s ILE 315 CO 0.02 0.17 1.14 -0.76 0.00 0.00 0.00 174.94 175.52 3dmf s LEU 316 N 0.29 3.82 0.23 2.97 1.43 -1.26 -4.81 118.68 121.35 3dmf s LEU 316 Ca 0.55 2.21 -0.08 0.00 -1.03 0.00 0.00 54.13 55.79 3dmf s LEU 316 Cb -0.31 -4.49 0.40 0.00 0.03 0.00 0.00 46.19 41.81 3dmf s LEU 316 CO 0.33 -1.14 1.67 0.44 0.23 0.00 0.00 176.35 177.88 3dmf h ASP 317 N 1.43 -0.17 -0.57 2.29 3.32 -1.98 -0.15 116.42 120.60 3dmf h ASP 317 Ca -0.50 0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.72 3dmf h ASP 317 Cb 1.26 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 41.03 3dmf h ASP 317 CO 0.58 -0.10 0.37 0.58 -1.72 0.00 0.00 179.24 178.95 3dmf h VAL 318 N 0.17 1.12 -0.71 -1.35 2.07 -1.94 -0.40 116.25 115.22 3dmf h VAL 318 Ca 0.38 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 3dmf h VAL 318 Cb 0.65 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3dmf h VAL 318 CO -0.55 0.13 0.22 0.00 0.02 0.00 0.00 177.57 177.39 3dmf h ALA 319 N 1.22 0.92 -0.74 1.67 0.00 -1.54 0.89 119.26 121.69 3dmf h ALA 319 Ca 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3dmf h ALA 319 Cb -0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3dmf h ALA 319 CO -0.06 0.61 0.29 1.96 0.00 0.00 0.00 179.25 182.05 3dmf h GLN 320 N 1.04 1.11 -0.55 0.00 4.20 -0.78 -2.39 115.11 117.74 3dmf h GLN 320 Ca 0.23 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3dmf h GLN 320 Cb 0.31 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3dmf h GLN 320 CO -0.01 0.91 0.20 0.00 -0.67 0.00 0.00 178.83 179.26 3dmf h ALA 321 N 1.14 1.31 -0.48 3.87 0.00 -0.44 -2.38 119.26 122.27 3dmf h ALA 321 Ca 0.25 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3dmf h ALA 321 Cb 0.22 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3dmf h ALA 321 CO -0.02 0.51 0.12 0.74 0.00 0.00 0.00 179.25 180.59 3dmf h PHE 322 N 0.80 0.19 -0.28 0.00 -1.00 -0.33 0.85 116.94 117.17 3dmf h PHE 322 Ca 0.19 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.99 3dmf h PHE 322 Cb 0.19 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 3dmf h PHE 322 CO 0.01 0.02 0.14 0.28 -1.61 0.00 0.00 178.31 177.16 3dmf h VAL 323 N 0.26 1.14 -0.62 -0.55 2.07 -1.23 0.63 116.25 117.95 3dmf h VAL 323 Ca 0.24 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3dmf h VAL 323 Cb 0.30 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3dmf h VAL 323 CO -0.29 0.14 0.21 0.78 0.02 0.00 0.00 177.57 178.43 3dmf h ASN 324 N 0.33 0.89 -0.60 0.57 2.35 -1.08 -2.05 115.58 115.99 3dmf h ASN 324 Ca 0.10 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.56 3dmf h ASN 324 Cb 0.09 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3dmf h ASN 324 CO -0.01 0.85 0.03 0.58 -1.65 0.00 0.00 177.43 177.22 3dmf h VAL 325 N 0.89 1.26 -0.31 2.81 2.07 -0.75 -2.14 116.25 120.08 3dmf h VAL 325 Ca 0.20 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.65 3dmf h VAL 325 Cb 0.26 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3dmf h VAL 325 CO -0.01 0.40 0.08 0.00 0.02 0.00 0.00 177.57 178.06 3dmf h ALA 326 N 0.99 0.34 -0.75 1.67 0.00 -0.56 0.13 119.26 121.08 3dmf h ALA 326 Ca 0.17 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3dmf h ALA 326 Cb 0.52 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3dmf h ALA 326 CO 0.03 -0.33 0.33 0.00 0.00 0.00 0.00 179.25 179.28 3dmf h ALA 327 N 1.22 1.17 0.00 0.00 0.00 -1.26 -2.45 119.26 117.94 3dmf h ALA 327 Ca 0.14 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3dmf h ALA 327 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3dmf h ALA 327 CO -0.18 0.62 -0.40 0.00 0.00 0.00 0.00 179.25 179.29 3dmf h ALA 328 N 1.28 0.87 0.00 0.00 0.00 -0.74 -3.30 119.26 117.37 3dmf h ALA 328 Ca 0.26 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3dmf h ALA 328 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dmf h ALA 328 CO -0.03 0.50 -0.87 0.54 0.00 0.00 0.00 179.25 179.40 3dmf n ARG 329 N -3.39 0.02 -2.84 0.00 5.12 0.38 -4.92 116.66 111.03 3dmf n ARG 329 Ca 0.01 -0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.52 3dmf n ARG 329 Cb 0.59 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.33 3dmf n ARG 329 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3dmf s LEU 330 N -3.05 4.55 0.81 0.55 1.43 -0.94 -0.69 118.68 121.33 3dmf s LEU 330 Ca 0.08 1.73 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 3dmf s LEU 330 Cb 0.16 -3.46 0.08 0.00 0.03 0.00 0.00 46.19 43.01 3dmf s LEU 330 CO 0.82 0.07 1.12 -0.13 0.23 0.00 0.00 176.35 178.46 3dmf s ARG 331 N -0.55 1.87 0.14 1.70 0.52 -0.65 -4.84 118.95 117.15 3dmf s ARG 331 Ca 0.41 1.37 -0.34 0.00 -0.52 0.00 0.00 55.73 56.65 3dmf s ARG 331 Cb -0.23 -1.84 -0.15 0.00 0.52 0.00 0.00 34.95 33.24 3dmf s ARG 331 CO 0.28 -1.96 1.36 -2.30 0.02 0.00 0.00 175.30 172.70 3dmf n PRO 332 N -3.60 1.49 -0.52 3.54 -0.02 -1.26 -0.62 135.00 134.01 3dmf n PRO 332 Ca 0.10 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3dmf n PRO 332 Cb 0.52 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3dmf n PRO 332 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dmf n GLY 333 N 2.54 1.77 3.73 -1.23 0.00 0.20 -5.01 105.19 107.19 3dmf n GLY 333 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3dmf n GLY 333 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dmf s GLY 334 N -1.96 1.67 0.10 -0.02 0.00 0.20 -4.69 107.32 102.62 3dmf s GLY 334 Ca 0.00 0.28 0.06 0.00 0.00 0.00 0.00 44.72 45.06 3dmf s GLY 334 CO 0.00 0.68 -0.15 -1.34 0.00 0.00 0.00 173.10 172.28 3dmf s VAL 335 N -2.84 1.34 -0.07 1.40 -7.23 -0.36 -0.23 120.40 112.41 3dmf s VAL 335 Ca 0.63 -1.55 0.04 0.00 -1.81 0.00 0.00 61.98 59.28 3dmf s VAL 335 Cb -0.19 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.37 3dmf s VAL 335 CO 0.57 -0.28 -0.18 0.12 -0.31 0.00 0.00 175.10 175.01 3dmf s PHE 336 N -1.67 1.94 -0.09 2.82 5.36 0.53 -0.89 117.98 125.99 3dmf s PHE 336 Ca 0.05 -0.70 0.04 0.00 -0.96 0.00 0.00 56.93 55.36 3dmf s PHE 336 Cb -0.08 -1.33 0.00 0.00 -0.34 0.00 0.00 43.02 41.27 3dmf s PHE 336 CO 0.03 -0.29 -0.22 -0.06 -1.46 0.00 0.00 175.22 173.22 3dmf s PHE 337 N 0.34 2.35 -0.02 10.12 0.08 -0.35 -1.40 117.98 129.10 3dmf s PHE 337 Ca -0.12 -0.93 0.02 0.00 0.12 0.00 0.00 56.93 56.01 3dmf s PHE 337 Cb -0.15 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 40.71 3dmf s PHE 337 CO 0.05 -0.38 -0.07 -1.17 -0.10 0.00 0.00 175.22 173.55 3dmf s LEU 338 N 0.36 1.85 -0.05 -0.37 0.20 -0.36 -1.42 118.68 118.88 3dmf s LEU 338 Ca -0.17 -0.13 0.06 0.00 0.69 0.00 0.00 54.13 54.58 3dmf s LEU 338 Cb -0.17 -0.40 -0.02 0.00 -0.43 0.00 0.00 46.19 45.17 3dmf s LEU 338 CO 0.08 0.06 -0.23 0.54 -0.29 0.00 0.00 176.35 176.50 3dmf s VAL 339 N 0.09 2.22 0.27 1.68 0.11 -0.79 -0.18 120.40 123.80 3dmf s VAL 339 Ca -0.01 -1.02 -0.13 0.00 -2.93 0.00 0.00 61.98 57.89 3dmf s VAL 339 Cb -0.06 -1.81 0.00 0.00 -1.53 0.00 0.00 36.38 32.99 3dmf s VAL 339 CO -0.00 0.57 0.53 -0.94 -3.33 0.00 0.00 175.10 171.93 3dmf s SER 340 N -0.32 0.02 0.46 3.54 1.04 -0.39 -4.15 113.70 113.90 3dmf s SER 340 Ca 0.01 -0.98 -0.25 0.00 0.48 0.00 0.00 55.95 55.22 3dmf s SER 340 Cb -0.12 0.63 -0.08 0.00 0.10 0.00 0.00 66.02 66.55 3dmf s SER 340 CO 0.02 -1.23 1.35 0.59 0.98 0.00 0.00 173.24 174.96 3dmf n ASN 341 N -0.60 2.90 0.31 7.02 3.02 -1.26 -0.77 115.26 125.87 3dmf n ASN 341 Ca -0.02 1.09 0.19 0.00 -0.03 0.00 0.00 54.58 55.80 3dmf n ASN 341 Cb 0.61 -1.56 1.03 0.00 -0.61 0.00 0.00 39.78 39.25 3dmf n ASN 341 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3dmf h PRO 342 N 2.05 0.00 -0.34 3.52 0.11 -1.89 -2.91 132.00 132.54 3dmf h PRO 342 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dmf h PRO 342 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3dmf h PRO 342 CO 0.60 0.00 0.00 0.34 -0.21 0.00 0.00 178.00 178.73 3dmf n PHE 343 N -3.45 0.45 -2.63 0.65 7.35 -1.26 -4.93 117.46 113.65 3dmf n PHE 343 Ca -0.02 -0.46 -0.41 0.00 -0.76 0.00 0.00 57.45 55.79 3dmf n PHE 343 Cb 0.13 -0.02 -0.04 0.00 0.35 0.00 0.00 39.48 39.90 3dmf n PHE 343 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3dmf s LEU 344 N -1.00 4.50 -1.32 -2.13 1.43 -1.10 -4.93 118.68 114.13 3dmf s LEU 344 Ca 0.24 1.94 -0.07 0.00 -1.03 0.00 0.00 54.13 55.21 3dmf s LEU 344 Cb 0.13 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 3dmf s LEU 344 CO 0.17 -0.13 2.77 0.29 0.23 0.00 0.00 176.35 179.67 3dmf n LYS 345 N 2.55 3.88 0.20 1.70 5.02 -1.26 -4.58 118.16 125.67 3dmf n LYS 345 Ca 0.02 -2.64 0.08 0.00 -2.02 0.00 0.00 58.31 53.75 3dmf n LYS 345 Cb 0.48 -2.64 0.30 0.00 -0.02 0.00 0.00 35.03 33.15 3dmf n LYS 345 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3dmf h TYR 346 N 4.58 0.00 0.00 2.13 0.05 -1.96 -3.37 116.97 118.41 3dmf h TYR 346 Ca 0.73 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.54 3dmf h TYR 346 Cb 0.40 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.11 3dmf h TYR 346 CO 1.74 0.28 -0.17 0.93 -1.05 0.00 0.00 178.16 179.89 3dmf h GLU 347 N 0.00 -0.27 -0.41 4.88 3.07 -2.00 -0.91 114.58 118.94 3dmf h GLU 347 Ca -0.00 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.89 3dmf h GLU 347 Cb 0.97 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 3dmf h GLU 347 CO 0.04 -0.18 0.27 -1.00 -1.40 0.00 0.00 179.01 176.74 3dmf h PRO 348 N -0.28 0.50 -0.53 2.33 0.13 -1.98 -0.84 132.00 131.34 3dmf h PRO 348 Ca 0.05 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 3dmf h PRO 348 Cb 0.35 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 3dmf h PRO 348 CO -0.16 0.33 -0.03 -0.07 -0.23 0.00 0.00 178.00 177.84 3dmf h LEU 349 N 0.52 0.95 -0.47 1.56 3.38 -1.55 -1.20 115.31 118.50 3dmf h LEU 349 Ca 0.16 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 3dmf h LEU 349 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3dmf h LEU 349 CO -0.04 1.04 -0.10 -0.07 0.09 0.00 0.00 178.44 179.37 3dmf h LEU 350 N 0.83 0.90 -0.81 1.67 4.07 -0.69 -1.87 115.31 119.41 3dmf h LEU 350 Ca 0.15 -0.35 0.03 0.00 0.08 0.00 0.00 57.88 57.79 3dmf h LEU 350 Cb 0.57 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 42.02 3dmf h LEU 350 CO 0.03 1.04 0.52 -0.08 -1.08 0.00 0.00 178.44 178.88 3dmf h GLU 351 N 0.74 0.98 -0.17 1.13 4.57 -1.03 0.04 114.58 120.83 3dmf h GLU 351 Ca 0.12 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 3dmf h GLU 351 Cb 0.64 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3dmf h GLU 351 CO 0.04 0.65 -0.05 1.49 -1.18 0.00 0.00 179.01 179.96 3dmf h GLU 352 N 1.01 0.34 0.00 1.92 4.81 -1.04 -0.73 114.58 120.89 3dmf h GLU 352 Ca 0.33 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 3dmf h GLU 352 Cb 0.01 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3dmf h GLU 352 CO -0.12 0.62 -1.02 0.87 -0.73 0.00 0.00 179.01 178.63 3dmf h LYS 353 N 0.04 0.00 0.00 1.92 1.79 -1.21 -3.39 116.57 115.73 3dmf h LYS 353 Ca 0.04 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 3dmf h LYS 353 Cb 0.50 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 3dmf h LYS 353 CO 0.02 0.39 -1.34 1.19 -1.08 0.00 0.00 179.45 178.63 3dmf n PHE 354 N -3.03 0.00 0.00 -1.35 3.72 -0.01 -4.91 117.46 111.87 3dmf n PHE 354 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3dmf n PHE 354 Cb 0.79 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 3dmf n PHE 354 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dmf n GLY 355 N 2.61 3.10 3.58 1.37 0.00 -0.28 -4.73 105.19 110.83 3dmf n GLY 355 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 3dmf n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmf s ALA 356 N -2.81 -1.66 0.20 4.61 0.00 -1.26 -4.88 121.76 115.95 3dmf s ALA 356 Ca 0.00 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.31 3dmf s ALA 356 Cb 0.00 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.79 3dmf s ALA 356 CO 0.00 -0.83 0.54 -0.59 0.00 0.00 0.00 175.76 174.88 3dmf s PHE 357 N -3.41 -0.17 0.12 0.00 -0.12 -1.26 -4.63 117.98 108.51 3dmf s PHE 357 Ca 0.06 -0.17 0.06 0.00 -0.05 0.00 0.00 56.93 56.83 3dmf s PHE 357 Cb -0.02 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 3dmf s PHE 357 CO -0.06 -0.93 -0.14 -0.65 -0.05 0.00 0.00 175.22 173.40 3dmf s GLN 358 N -3.86 1.02 -0.39 1.99 -0.21 0.11 -4.98 119.66 113.34 3dmf s GLN 358 Ca 0.08 -1.25 -0.08 0.00 0.02 0.00 0.00 55.36 54.14 3dmf s GLN 358 Cb -0.01 -0.89 0.07 0.00 1.00 0.00 0.00 33.01 33.17 3dmf s GLN 358 CO -0.03 0.17 0.20 0.99 -2.12 0.00 0.00 175.29 174.49 3dmf s THR 359 N -2.18 3.99 0.07 -0.19 2.01 -1.26 -0.70 115.64 117.37 3dmf s THR 359 Ca 0.09 -1.36 0.06 0.00 0.31 0.00 0.00 61.69 60.78 3dmf s THR 359 Cb -0.05 -3.40 -0.23 0.00 0.01 0.00 0.00 72.50 68.83 3dmf s THR 359 CO 0.03 -0.41 1.08 -0.07 -0.69 0.00 0.00 174.62 174.56 3dmf h LEU 360 N 8.31 0.09 -7.56 4.42 3.38 -1.13 -3.46 115.31 119.36 3dmf h LEU 360 Ca -0.22 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.47 3dmf h LEU 360 Cb 1.08 -0.03 -0.24 0.00 0.09 0.00 0.00 40.66 41.55 3dmf h LEU 360 CO 0.70 1.09 -0.46 -0.54 0.09 0.00 0.00 178.44 179.32 3dmf s LYS 361 N -2.67 0.32 -0.27 1.13 -0.14 -1.19 -4.96 119.74 111.97 3dmf s LYS 361 Ca -0.02 0.13 -0.00 0.00 -1.36 0.00 0.00 55.97 54.72 3dmf s LYS 361 Cb 0.09 0.15 0.15 0.00 -1.68 0.00 0.00 37.83 36.54 3dmf s LYS 361 CO 0.83 -0.06 0.39 0.54 -0.76 0.00 0.00 175.35 176.30 3dmf s VAL 362 N -0.28 -0.62 0.00 3.17 0.11 -1.26 -1.32 120.40 120.21 3dmf s VAL 362 Ca -0.04 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 3dmf s VAL 362 Cb -0.03 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 3dmf s VAL 362 CO 0.01 -0.22 0.00 0.00 -3.33 0.00 0.00 175.10 171.56 3dmf n ALA 363 N 5.36 0.00 -0.35 1.54 0.00 -1.26 -4.95 120.51 120.84 3dmf n ALA 363 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 3dmf n ALA 363 Cb 0.50 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.06 3dmf n ALA 363 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3dmf h GLU 364 N 0.00 1.27 -4.89 0.00 4.81 -1.98 -3.44 114.58 110.35 3dmf h GLU 364 Ca 0.00 -0.10 -0.31 0.00 -0.13 0.00 0.00 59.36 58.82 3dmf h GLU 364 Cb 0.00 -0.28 -0.15 0.00 0.63 0.00 0.00 28.75 28.96 3dmf h GLU 364 CO 0.00 0.87 -0.67 0.71 -0.73 0.00 0.00 179.01 179.19 3dmf s TYR 365 N -6.01 1.28 -0.09 0.92 2.02 -1.26 -4.38 117.35 109.83 3dmf s TYR 365 Ca -0.13 -0.96 0.00 0.00 -0.37 0.00 0.00 57.07 55.62 3dmf s TYR 365 Cb 0.18 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.99 3dmf s TYR 365 CO 0.82 -0.13 -0.07 -1.59 -1.57 0.00 0.00 175.55 173.00 3dmf s LYS 366 N -3.88 2.93 -0.26 -0.62 -2.85 0.05 -4.02 119.74 111.09 3dmf s LYS 366 Ca 0.23 -0.57 -0.08 0.00 -1.00 0.00 0.00 55.97 54.56 3dmf s LYS 366 Cb 0.05 -2.63 -0.02 0.00 -2.06 0.00 0.00 37.83 33.17 3dmf s LYS 366 CO 0.04 0.55 0.08 0.08 0.10 0.00 0.00 175.35 176.21 3dmf s VAL 367 N -0.52 4.33 0.07 1.79 1.01 -0.43 -1.26 120.40 125.40 3dmf s VAL 367 Ca 0.08 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3dmf s VAL 367 Cb -0.12 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3dmf s VAL 367 CO 0.02 0.28 0.09 -0.76 0.00 0.00 0.00 175.10 174.73 3dmf s LEU 368 N 1.61 3.85 -0.00 3.92 1.43 0.74 -0.48 118.68 129.74 3dmf s LEU 368 Ca 0.06 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3dmf s LEU 368 Cb -0.15 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 3dmf s LEU 368 CO 0.04 0.18 -0.06 0.12 0.23 0.00 0.00 176.35 176.86 3dmf s PHE 369 N -1.38 0.57 0.04 0.29 5.36 0.12 -1.23 117.98 121.75 3dmf s PHE 369 Ca 0.29 -0.12 -0.05 0.00 -0.96 0.00 0.00 56.93 56.09 3dmf s PHE 369 Cb -0.12 -0.36 -0.01 0.00 -0.34 0.00 0.00 43.02 42.18 3dmf s PHE 369 CO 0.22 -0.01 0.08 0.00 -1.46 0.00 0.00 175.22 174.05 3dmf s ALA 370 N -0.19 -0.03 -0.05 11.12 0.00 -0.49 -0.71 121.76 131.41 3dmf s ALA 370 Ca 0.02 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.45 3dmf s ALA 370 Cb -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 3dmf s ALA 370 CO -0.00 -0.31 -0.24 -2.00 0.00 0.00 0.00 175.76 173.20 3dmf s GLU 371 N -2.63 2.39 0.06 0.00 2.12 -1.26 -0.35 118.70 119.02 3dmf s GLU 371 Ca -0.05 -0.86 -0.31 0.00 0.36 0.00 0.00 54.97 54.12 3dmf s GLU 371 Cb -0.01 -2.05 -0.06 0.00 0.26 0.00 0.00 34.13 32.27 3dmf s GLU 371 CO -0.05 0.37 1.22 0.21 -0.54 0.00 0.00 175.26 176.48 3dmf s LYS 372 N -0.17 4.41 0.00 4.30 2.47 0.67 -4.94 119.74 126.49 3dmf s LYS 372 Ca -0.02 1.80 0.30 0.00 -1.56 0.00 0.00 55.97 56.48 3dmf s LYS 372 Cb -0.13 -3.35 1.44 0.00 -1.46 0.00 0.00 37.83 34.32 3dmf s LYS 372 CO 0.03 -0.29 1.96 0.54 0.16 0.00 0.00 175.35 177.75