#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f8m h LYS 11 N 0.00 0.00 0.01 1.96 1.79 -1.95 0.94 116.57 119.33 3f8m h LYS 11 Ca 0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 3f8m h LYS 11 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3f8m h LYS 11 CO 0.00 0.00 -0.91 0.45 -1.08 0.00 0.00 179.45 177.91 3f8m h HIS 12 N 0.00 0.09 -0.06 -1.35 -0.00 -1.93 -2.68 115.15 109.21 3f8m h HIS 12 Ca 0.15 -0.06 -0.20 0.00 -0.00 0.00 0.00 60.37 60.27 3f8m h HIS 12 Cb 0.91 -0.01 0.01 0.00 -0.00 0.00 0.00 27.41 28.32 3f8m h HIS 12 CO 0.00 0.94 -0.73 1.96 -0.00 0.00 0.00 177.93 180.10 3f8m h GLN 13 N 0.03 0.60 -0.65 2.45 4.20 -1.32 -3.27 115.11 117.16 3f8m h GLN 13 Ca -0.02 -0.57 -0.03 0.00 0.06 0.00 0.00 58.65 58.09 3f8m h GLN 13 Cb 1.59 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 29.48 3f8m h GLN 13 CO 0.13 1.18 0.30 0.28 -0.67 0.00 0.00 178.83 180.05 3f8m h VAL 14 N 0.23 1.22 -0.52 -0.54 2.07 -1.29 -2.28 116.25 115.15 3f8m h VAL 14 Ca -0.07 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3f8m h VAL 14 Cb 1.39 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3f8m h VAL 14 CO 0.15 0.26 0.32 1.62 0.02 0.00 0.00 177.57 179.94 3f8m h VAL 15 N 0.90 1.07 -0.47 2.57 3.04 -1.60 0.12 116.25 121.88 3f8m h VAL 15 Ca 0.22 -0.22 0.02 0.00 -1.01 0.00 0.00 66.70 65.71 3f8m h VAL 15 Cb 0.14 0.37 -0.02 0.00 -2.01 0.00 0.00 31.29 29.76 3f8m h VAL 15 CO -0.03 0.12 0.31 0.03 -1.01 0.00 0.00 177.57 176.99 3f8m h ARG 16 N 0.64 0.56 -0.01 4.17 3.08 -1.56 -0.73 114.38 120.54 3f8m h ARG 16 Ca 0.21 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 60.01 3f8m h ARG 16 Cb -0.00 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3f8m h ARG 16 CO -0.08 0.37 -0.91 0.00 -1.07 0.00 0.00 179.97 178.28 3f8m h ALA 17 N 1.72 0.42 -0.18 0.04 0.00 -0.78 -2.78 119.26 117.70 3f8m h ALA 17 Ca 0.18 -0.70 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 3f8m h ALA 17 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3f8m h ALA 17 CO -0.04 0.83 -0.37 0.93 0.00 0.00 0.00 179.25 180.60 3f8m h GLU 18 N 0.21 0.39 -0.30 0.00 4.39 -0.21 -1.67 114.58 117.39 3f8m h GLU 18 Ca -0.07 -0.18 -0.16 0.00 0.34 0.00 0.00 59.36 59.29 3f8m h GLU 18 Cb 1.53 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.17 3f8m h GLU 18 CO 0.15 0.71 -0.46 -0.07 -1.16 0.00 0.00 179.01 178.18 3f8m h LEU 19 N 0.33 0.85 -0.28 1.33 3.38 -1.13 0.72 115.31 120.51 3f8m h LEU 19 Ca 0.04 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.60 3f8m h LEU 19 Cb 0.80 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3f8m h LEU 19 CO 0.06 1.18 0.17 0.44 0.09 0.00 0.00 178.44 180.39 3f8m h ASP 20 N 0.62 0.29 -0.72 -0.43 3.32 -1.33 0.14 116.42 118.30 3f8m h ASP 20 Ca 0.04 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3f8m h ASP 20 Cb 1.03 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 3f8m h ASP 20 CO 0.10 0.21 0.43 -0.09 -1.72 0.00 0.00 179.24 178.17 3f8m h ARG 21 N 0.36 0.99 0.01 3.56 2.43 -1.16 -1.14 114.38 119.43 3f8m h ARG 21 Ca 0.11 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3f8m h ARG 21 Cb -0.02 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 3f8m h ARG 21 CO -0.04 0.71 -0.10 0.52 -1.51 0.00 0.00 179.97 179.55 3f8m h MET 22 N 0.99 -0.17 -0.92 0.20 2.86 -0.53 -2.88 114.93 114.48 3f8m h MET 22 Ca 0.26 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 58.05 3f8m h MET 22 Cb -0.02 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.60 3f8m h MET 22 CO -0.05 -0.11 0.59 -0.07 1.06 0.00 0.00 176.91 178.33 3f8m h LEU 23 N -0.17 0.71 -1.57 1.22 3.38 -0.26 -0.39 115.31 118.22 3f8m h LEU 23 Ca 0.03 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3f8m h LEU 23 Cb 0.21 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3f8m h LEU 23 CO -0.09 0.35 0.38 -0.78 0.09 0.00 0.00 178.44 178.39 3f8m h ASP 24 N 0.75 0.46 0.22 -0.43 3.58 -1.00 -2.92 116.42 117.08 3f8m h ASP 24 Ca 0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.92 3f8m h ASP 24 Cb 0.70 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.65 3f8m h ASP 24 CO -0.23 0.30 -0.45 0.61 -2.88 0.00 0.00 179.24 176.60 3f8m n GLY 25 N -1.49 -0.67 3.98 -0.78 0.00 -0.18 -4.96 105.19 101.09 3f8m n GLY 25 Ca 0.08 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 3f8m n GLY 25 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3f8m s MET 26 N -2.67 3.21 0.24 1.61 -1.94 -1.07 -5.12 119.30 113.57 3f8m s MET 26 Ca 0.18 -0.93 0.05 0.00 -1.71 0.00 0.00 55.69 53.28 3f8m s MET 26 Cb 0.18 -2.84 -0.03 0.00 2.01 0.00 0.00 34.83 34.15 3f8m s MET 26 CO 0.61 0.16 0.32 1.03 -0.01 0.00 0.00 175.02 177.14 3f8m s ARG 27 N -4.12 3.33 0.21 2.03 0.52 -1.26 -5.00 118.95 114.65 3f8m s ARG 27 Ca 0.42 -0.82 -0.32 0.00 -0.52 0.00 0.00 55.73 54.49 3f8m s ARG 27 Cb -0.09 -2.82 -0.13 0.00 0.52 0.00 0.00 34.95 32.42 3f8m s ARG 27 CO 0.31 0.43 1.57 -0.89 0.02 0.00 0.00 175.30 176.74 3f8m n ILE 28 N -1.34 0.35 0.00 1.52 5.41 -1.26 -1.56 119.36 122.48 3f8m n ILE 28 Ca -0.09 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.58 3f8m n ILE 28 Cb 0.57 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 3f8m n ILE 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3f8m n GLY 29 N 3.08 1.83 3.73 7.39 0.00 0.16 -4.93 105.19 116.44 3f8m n GLY 29 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3f8m n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f8m s ASP 30 N -1.94 6.79 0.12 1.61 1.01 -0.60 -4.55 116.67 119.10 3f8m s ASP 30 Ca 0.00 2.43 -0.24 0.00 0.71 0.00 0.00 52.55 55.45 3f8m s ASP 30 Cb 0.00 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.26 3f8m s ASP 30 CO 0.00 -0.65 0.72 -2.16 0.21 0.00 0.00 175.17 173.29 3f8m s PRO 31 N 0.59 4.46 0.63 8.23 0.04 -1.26 -1.40 135.00 146.28 3f8m s PRO 31 Ca 0.62 1.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 3f8m s PRO 31 Cb -0.38 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 30.86 3f8m s PRO 31 CO 0.34 0.53 1.07 -0.06 0.04 0.00 0.00 177.00 178.93 3f8m s PHE 32 N -0.93 2.88 0.95 0.56 0.08 -0.60 -5.01 117.98 115.92 3f8m s PHE 32 Ca 0.34 1.52 -0.11 0.00 0.12 0.00 0.00 56.93 58.80 3f8m s PHE 32 Cb -0.22 -3.05 0.12 0.00 -0.57 0.00 0.00 43.02 39.31 3f8m s PHE 32 CO 0.24 -1.31 0.87 -2.30 -0.10 0.00 0.00 175.22 172.61 3f8m n PRO 33 N -2.27 -0.59 -1.54 0.24 -0.02 -1.26 -4.74 135.00 124.82 3f8m n PRO 33 Ca 0.09 -0.12 -0.35 0.00 -2.02 0.00 0.00 63.50 61.10 3f8m n PRO 33 Cb 0.53 -2.18 0.09 0.00 -0.02 0.00 0.00 33.50 31.92 3f8m n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f8m s ALA 34 N -2.53 2.20 0.24 3.55 0.00 -1.26 -4.77 121.76 119.18 3f8m s ALA 34 Ca 0.63 1.04 -0.05 0.00 0.00 0.00 0.00 51.96 53.59 3f8m s ALA 34 Cb -0.22 -3.51 0.43 0.00 0.00 0.00 0.00 23.12 19.81 3f8m s ALA 34 CO 0.62 -1.80 1.74 1.05 0.00 0.00 0.00 175.76 177.36 3f8m h GLU 35 N 0.04 0.44 -0.68 0.00 4.11 -1.95 -0.56 114.58 115.97 3f8m h GLU 35 Ca -0.49 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 58.87 3f8m h GLU 35 Cb 1.32 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 3f8m h GLU 35 CO 0.51 0.29 0.26 -0.09 0.07 0.00 0.00 179.01 180.05 3f8m h ARG 36 N 0.46 1.01 -0.31 1.06 2.43 -1.90 -0.67 114.38 116.45 3f8m h ARG 36 Ca 0.40 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3f8m h ARG 36 Cb 0.58 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3f8m h ARG 36 CO -0.38 0.83 0.08 1.49 -1.51 0.00 0.00 179.97 180.48 3f8m h GLU 37 N 0.99 0.50 -0.30 0.20 4.81 -1.49 -1.80 114.58 117.49 3f8m h GLU 37 Ca 0.23 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3f8m h GLU 37 Cb 0.20 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3f8m h GLU 37 CO -0.02 0.56 0.18 0.82 -0.73 0.00 0.00 179.01 179.83 3f8m h ILE 38 N 0.35 1.05 -0.46 2.32 2.04 -0.98 0.07 117.51 121.90 3f8m h ILE 38 Ca 0.10 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.89 3f8m h ILE 38 Cb 0.29 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3f8m h ILE 38 CO 0.00 0.07 0.18 0.00 0.00 0.00 0.00 178.15 178.39 3f8m h ALA 39 N 1.12 0.56 -0.59 1.87 0.00 -0.94 -0.98 119.26 120.30 3f8m h ALA 39 Ca 0.11 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3f8m h ALA 39 Cb -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3f8m h ALA 39 CO -0.04 -0.21 0.06 0.93 0.00 0.00 0.00 179.25 179.99 3f8m h GLU 40 N 0.36 0.98 -0.50 0.00 5.08 -1.05 -0.51 114.58 118.93 3f8m h GLU 40 Ca 0.21 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3f8m h GLU 40 Cb 0.20 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 3f8m h GLU 40 CO -0.21 0.92 0.24 0.37 -1.00 0.00 0.00 179.01 179.34 3f8m h GLN 41 N 0.91 0.46 -0.46 2.33 4.15 -0.18 -3.06 115.11 119.25 3f8m h GLN 41 Ca 0.18 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.52 3f8m h GLN 41 Cb 0.44 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 3f8m h GLN 41 CO 0.02 0.30 0.05 1.19 -1.93 0.00 0.00 178.83 178.45 3f8m n PHE 42 N -4.91 1.63 -4.08 3.99 3.72 -0.45 -4.98 117.46 112.39 3f8m n PHE 42 Ca 0.05 -0.93 -0.30 0.00 -0.05 0.00 0.00 57.45 56.22 3f8m n PHE 42 Cb 0.15 -0.46 -0.04 0.00 -0.94 0.00 0.00 39.48 38.18 3f8m n PHE 42 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3f8m n GLU 43 N -0.09 -1.97 -4.29 -1.08 1.02 -0.28 -4.90 120.64 109.05 3f8m n GLU 43 Ca 0.28 0.26 -0.16 0.00 -0.02 0.00 0.00 57.16 57.52 3f8m n GLU 43 Cb 1.10 -3.95 -0.10 0.00 -0.02 0.00 0.00 31.44 28.47 3f8m n GLU 43 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3f8m s VAL 44 N -4.05 0.89 0.62 2.62 -7.23 -0.73 -4.98 120.40 107.53 3f8m s VAL 44 Ca 0.08 -2.01 -0.19 0.00 -1.81 0.00 0.00 61.98 58.05 3f8m s VAL 44 Cb -0.04 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 3f8m s VAL 44 CO 0.94 -0.39 1.26 0.00 -0.31 0.00 0.00 175.10 176.59 3f8m s ALA 45 N -3.52 2.47 0.32 1.32 0.00 -1.26 -4.35 121.76 116.75 3f8m s ALA 45 Ca 0.26 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.40 3f8m s ALA 45 Cb 0.06 -3.51 0.68 0.00 0.00 0.00 0.00 23.12 20.35 3f8m s ALA 45 CO 0.07 -1.39 1.87 0.00 0.00 0.00 0.00 175.76 176.31 3f8m h ARG 46 N 0.74 0.82 0.00 0.00 3.08 -1.92 -1.74 114.38 115.36 3f8m h ARG 46 Ca -0.51 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.44 3f8m h ARG 46 Cb 1.32 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3f8m h ARG 46 CO 0.54 0.55 -0.24 0.93 -1.07 0.00 0.00 179.97 180.67 3f8m h GLU 47 N 0.85 0.00 -0.24 0.04 3.07 -1.96 -0.95 114.58 115.39 3f8m h GLU 47 Ca 0.45 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.16 3f8m h GLU 47 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3f8m h GLU 47 CO -0.21 0.24 -0.43 1.15 -1.40 0.00 0.00 179.01 178.36 3f8m h THR 48 N 0.00 1.31 -0.21 1.13 2.02 -1.68 -1.88 112.91 113.60 3f8m h THR 48 Ca -0.00 -1.64 -0.03 0.00 0.77 0.00 0.00 66.41 65.50 3f8m h THR 48 Cb 0.64 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 3f8m h THR 48 CO 0.03 0.52 -0.00 0.58 0.37 0.00 0.00 175.52 177.02 3f8m h VAL 49 N 0.43 1.26 -0.63 3.16 2.07 -1.26 -2.14 116.25 119.14 3f8m h VAL 49 Ca 0.01 -0.89 0.13 0.00 0.82 0.00 0.00 66.70 66.77 3f8m h VAL 49 Cb 1.03 1.44 -0.10 0.00 -1.52 0.00 0.00 31.29 32.14 3f8m h VAL 49 CO 0.10 0.27 0.06 -0.09 0.02 0.00 0.00 177.57 177.93 3f8m h ARG 50 N 0.13 0.17 -0.46 1.57 2.43 -1.17 0.13 114.38 117.17 3f8m h ARG 50 Ca 0.06 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 3f8m h ARG 50 Cb 0.41 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3f8m h ARG 50 CO 0.01 0.11 -0.12 0.37 -1.51 0.00 0.00 179.97 178.83 3f8m h GLN 51 N 0.17 0.90 -0.63 0.20 5.75 -1.27 -1.04 115.11 119.19 3f8m h GLN 51 Ca 0.33 -0.35 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 3f8m h GLN 51 Cb 0.54 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 3f8m h GLN 51 CO -0.49 0.99 0.09 0.00 -2.65 0.00 0.00 178.83 176.77 3f8m h ALA 52 N 0.87 0.98 -0.63 3.38 0.00 -0.57 -1.77 119.26 121.52 3f8m h ALA 52 Ca 0.12 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3f8m h ALA 52 Cb 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3f8m h ALA 52 CO 0.05 0.64 0.06 -0.07 0.00 0.00 0.00 179.25 179.93 3f8m h LEU 53 N 0.97 1.05 -1.40 0.00 3.38 -0.90 -1.77 115.31 116.64 3f8m h LEU 53 Ca 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3f8m h LEU 53 Cb 0.43 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3f8m h LEU 53 CO 0.01 1.07 0.39 -0.09 0.09 0.00 0.00 178.44 179.92 3f8m h ARG 54 N 0.99 0.79 -0.47 1.13 2.43 -0.99 -0.58 114.38 117.69 3f8m h ARG 54 Ca 0.19 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.20 3f8m h ARG 54 Cb 0.50 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3f8m h ARG 54 CO 0.02 0.53 -0.10 0.93 -1.51 0.00 0.00 179.97 179.84 3f8m h GLU 55 N 0.82 0.91 -0.60 0.20 5.08 -0.89 -1.19 114.58 118.91 3f8m h GLU 55 Ca 0.22 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3f8m h GLU 55 Cb -0.09 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3f8m h GLU 55 CO -0.05 0.99 0.32 -0.07 -1.00 0.00 0.00 179.01 179.21 3f8m h LEU 56 N 0.75 0.73 -0.27 1.33 3.38 -0.90 -1.24 115.31 119.11 3f8m h LEU 56 Ca 0.12 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3f8m h LEU 56 Cb 0.65 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3f8m h LEU 56 CO 0.04 0.60 -0.18 0.25 0.09 0.00 0.00 178.44 179.24 3f8m h LEU 57 N 0.83 0.62 -0.98 1.67 6.46 -0.67 -0.31 115.31 122.93 3f8m h LEU 57 Ca 0.21 -0.44 -0.03 0.00 -0.12 0.00 0.00 57.88 57.50 3f8m h LEU 57 Cb 0.03 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 3f8m h LEU 57 CO -0.03 0.93 0.32 0.40 -0.62 0.00 0.00 178.44 179.43 3f8m h ILE 58 N 0.32 1.24 0.00 4.05 2.04 -1.05 -0.54 117.51 123.57 3f8m h ILE 58 Ca 0.05 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3f8m h ILE 58 Cb 0.72 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3f8m h ILE 58 CO 0.05 0.29 0.00 -0.67 0.00 0.00 0.00 178.15 177.82 3f8m n ASP 59 N -4.31 0.00 -0.01 1.72 2.03 -0.48 -4.89 116.55 110.61 3f8m n ASP 59 Ca 0.07 0.03 -0.00 0.00 0.52 0.00 0.00 54.79 55.40 3f8m n ASP 59 Cb 0.16 -0.26 -0.00 0.00 -0.72 0.00 0.00 41.12 40.29 3f8m n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3f8m n GLY 60 N -0.02 0.47 0.08 0.27 0.00 -0.21 -4.86 105.19 100.92 3f8m n GLY 60 Ca 0.07 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3f8m n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f8m n ARG 61 N -2.81 0.43 -4.16 1.61 1.74 -0.21 -3.49 116.66 109.78 3f8m n ARG 61 Ca -0.00 0.08 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 3f8m n ARG 61 Cb 0.03 -1.72 -0.10 0.00 -1.02 0.00 0.00 32.46 29.64 3f8m n ARG 61 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3f8m s VAL 62 N -3.27 0.07 0.14 1.55 -7.23 -1.21 -1.81 120.40 108.64 3f8m s VAL 62 Ca 0.02 -1.92 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 3f8m s VAL 62 Cb 0.12 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.88 3f8m s VAL 62 CO 0.77 -0.30 0.33 -1.83 -0.31 0.00 0.00 175.10 173.77 3f8m s GLU 63 N -4.08 1.10 0.24 4.82 -1.05 0.50 -4.43 118.70 115.80 3f8m s GLU 63 Ca 0.29 -0.96 -0.22 0.00 -0.15 0.00 0.00 54.97 53.93 3f8m s GLU 63 Cb 0.07 0.42 -0.09 0.00 -0.44 0.00 0.00 34.13 34.09 3f8m s GLU 63 CO 0.05 -0.42 0.79 1.03 0.95 0.00 0.00 175.26 177.66 3f8m s ARG 64 N -3.89 4.38 -0.28 -4.83 1.81 -1.26 -0.06 118.95 114.82 3f8m s ARG 64 Ca 0.09 1.02 -0.04 0.00 -1.72 0.00 0.00 55.73 55.09 3f8m s ARG 64 Cb 0.03 -2.91 0.10 0.00 -0.45 0.00 0.00 34.95 31.72 3f8m s ARG 64 CO -0.06 0.39 0.12 0.50 -0.68 0.00 0.00 175.30 175.57 3f8m s ARG 65 N -1.89 0.25 6.67 3.54 3.52 0.46 -4.88 118.95 126.62 3f8m s ARG 65 Ca 0.44 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 3f8m s ARG 65 Cb -0.18 -1.32 0.00 0.00 -1.56 0.00 0.00 34.95 31.89 3f8m s ARG 65 CO 0.22 -0.99 0.00 0.41 -0.81 0.00 0.00 175.30 174.14 3f8m n GLY 66 N 5.20 3.79 0.00 8.12 0.00 -1.26 -0.79 105.19 120.25 3f8m n GLY 66 Ca -0.06 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.19 3f8m n GLY 66 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3f8m n ARG 67 N 14.00 0.32 -4.14 1.61 1.85 -1.26 -4.90 116.66 124.13 3f8m n ARG 67 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 3f8m n ARG 67 Cb 0.00 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.86 3f8m n ARG 67 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3f8m s THR 68 N -2.68 4.30 -0.19 8.89 -4.23 0.03 -5.07 115.64 116.69 3f8m s THR 68 Ca 0.25 -1.48 -0.05 0.00 -1.18 0.00 0.00 61.69 59.23 3f8m s THR 68 Cb 0.20 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.70 3f8m s THR 68 CO 0.48 -0.35 -0.01 -0.89 -0.54 0.00 0.00 174.62 173.31 3f8m s THR 69 N -2.15 3.99 0.27 3.99 2.01 -1.26 -0.40 115.64 122.08 3f8m s THR 69 Ca 0.33 -0.31 0.11 0.00 0.31 0.00 0.00 61.69 62.13 3f8m s THR 69 Cb -0.08 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 3f8m s THR 69 CO 0.24 0.45 -0.19 0.68 -0.69 0.00 0.00 174.62 175.11 3f8m s VAL 70 N 0.77 2.38 0.27 3.82 -7.23 0.92 -1.55 120.40 119.78 3f8m s VAL 70 Ca -0.00 -2.38 -0.29 0.00 -1.81 0.00 0.00 61.98 57.50 3f8m s VAL 70 Cb -0.14 -2.26 -0.10 0.00 0.56 0.00 0.00 36.38 34.44 3f8m s VAL 70 CO 0.02 -0.42 1.32 -0.69 -0.31 0.00 0.00 175.10 175.02 3f8m s VAL 71 N -2.55 2.91 0.34 1.32 1.01 -0.49 -0.37 120.40 122.56 3f8m s VAL 71 Ca 0.29 0.82 0.10 0.00 0.00 0.00 0.00 61.98 63.19 3f8m s VAL 71 Cb -0.05 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 3f8m s VAL 71 CO 0.14 0.16 -0.08 0.00 0.00 0.00 0.00 175.10 175.32 3f8m s ALA 72 N -0.49 3.00 -0.25 5.51 0.00 -0.75 -0.67 121.76 128.11 3f8m s ALA 72 Ca 0.53 -2.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.25 3f8m s ALA 72 Cb -0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3f8m s ALA 72 CO 0.45 0.09 0.56 -0.98 0.00 0.00 0.00 175.76 175.88 3f8m s ARG 73 N -3.62 4.11 0.31 0.00 1.70 -1.26 -4.71 118.95 115.47 3f8m s ARG 73 Ca 0.33 0.43 -0.29 0.00 -0.47 0.00 0.00 55.73 55.73 3f8m s ARG 73 Cb 0.02 -3.64 -0.10 0.00 -0.57 0.00 0.00 34.95 30.66 3f8m s ARG 73 CO 0.17 -0.34 1.16 -2.14 -1.08 0.00 0.00 175.30 173.06 3f8m s PRO 74 N 2.27 4.48 0.34 3.89 0.02 -1.23 -4.94 135.00 139.84 3f8m s PRO 74 Ca 0.24 1.90 -0.29 0.00 0.02 0.00 0.00 61.00 62.87 3f8m s PRO 74 Cb -0.16 -3.08 -0.11 0.00 0.02 0.00 0.00 34.50 31.18 3f8m s PRO 74 CO 0.09 0.04 1.40 0.15 -0.33 0.00 0.00 177.00 178.35 3f8m s LYS 75 N -1.67 4.24 0.16 5.54 1.02 -1.26 -4.98 119.74 122.79 3f8m s LYS 75 Ca 0.47 2.38 -0.31 0.00 0.02 0.00 0.00 55.97 58.53 3f8m s LYS 75 Cb -0.33 -3.03 -0.09 0.00 -0.52 0.00 0.00 37.83 33.85 3f8m s LYS 75 CO 0.43 -0.36 1.51 0.42 -0.92 0.00 0.00 175.35 176.43 3f8m s ILE 76 N -1.03 2.81 -0.58 2.17 1.01 -0.77 -4.78 121.20 120.03 3f8m s ILE 76 Ca 0.52 0.59 -0.12 0.00 0.00 0.00 0.00 60.65 61.64 3f8m s ILE 76 Cb -0.43 -3.38 0.15 0.00 0.01 0.00 0.00 42.46 38.81 3f8m s ILE 76 CO 0.56 0.05 0.49 -0.13 0.00 0.00 0.00 174.94 175.92 3f8m s ARG 77 N 0.96 2.88 -0.26 2.79 0.52 -1.26 -0.70 118.95 123.88 3f8m s ARG 77 Ca 0.67 -1.96 -0.10 0.00 -0.52 0.00 0.00 55.73 53.83 3f8m s ARG 77 Cb -0.42 -4.13 -0.05 0.00 0.52 0.00 0.00 34.95 30.87 3f8m s ARG 77 CO 0.32 -1.26 0.16 -1.14 0.02 0.00 0.00 175.30 173.40 3f8m s GLN 78 N 1.07 3.95 0.36 3.54 0.74 0.20 -4.83 119.66 124.69 3f8m s GLN 78 Ca 0.08 -0.33 -0.28 0.00 0.05 0.00 0.00 55.36 54.88 3f8m s GLN 78 Cb -0.24 -3.55 -0.11 0.00 1.10 0.00 0.00 33.01 30.21 3f8m s GLN 78 CO -0.01 -0.09 1.48 -2.14 -0.55 0.00 0.00 175.29 173.98 3f8m s PRO 79 N 1.46 4.14 0.14 1.67 0.02 -1.26 -1.97 135.00 139.19 3f8m s PRO 79 Ca 0.07 2.53 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 3f8m s PRO 79 Cb -0.15 -2.99 -0.07 0.00 0.02 0.00 0.00 34.50 31.31 3f8m s PRO 79 CO 0.07 -0.51 1.12 -0.51 -0.33 0.00 0.00 177.00 176.84 3f8m s LEU 80 N -1.79 4.45 0.00 -5.54 1.43 0.36 -4.83 118.68 112.75 3f8m s LEU 80 Ca 0.54 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 3f8m s LEU 80 Cb -0.46 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.17 3f8m s LEU 80 CO 0.59 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.50 3f8m n GLY 81 N 2.39 0.49 0.94 -3.19 0.00 -1.26 -4.92 105.19 99.65 3f8m n GLY 81 Ca 0.04 -1.43 0.09 0.00 0.00 0.00 0.00 46.02 44.73 3f8m n GLY 81 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3f8m n MET 82 N 0.00 2.34 -0.91 1.61 2.81 -1.26 -4.97 117.12 116.74 3f8m n MET 82 Ca 0.00 -2.12 -0.19 0.00 -1.81 0.00 0.00 57.70 53.59 3f8m n MET 82 Cb 0.00 -1.41 0.15 0.00 -0.71 0.00 0.00 33.22 31.25 3f8m n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3f8m n GLY 83 N 1.13 -2.09 3.66 3.03 0.00 -1.26 -5.06 105.19 104.60 3f8m n GLY 83 Ca 0.16 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 3f8m n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3f8m s SER 84 N -3.70 4.89 0.10 1.61 0.15 -1.26 -5.02 113.70 110.48 3f8m s SER 84 Ca 0.46 -0.19 -0.20 0.00 0.70 0.00 0.00 55.95 56.72 3f8m s SER 84 Cb -0.03 -1.14 -0.09 0.00 -1.71 0.00 0.00 66.02 63.05 3f8m s SER 84 CO 0.34 0.20 1.70 0.22 1.20 0.00 0.00 173.24 176.90 3f8m h TYR 85 N 3.65 0.24 -0.42 3.44 3.20 -1.98 -1.40 116.97 123.71 3f8m h TYR 85 Ca -0.48 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.30 3f8m h TYR 85 Cb 1.17 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 3f8m h TYR 85 CO 0.60 0.23 -0.07 1.79 -1.64 0.00 0.00 178.16 179.08 3f8m h THR 86 N 0.18 1.25 -0.75 1.81 1.35 -1.95 -2.10 112.91 112.70 3f8m h THR 86 Ca 0.06 -1.07 -0.06 0.00 -0.55 0.00 0.00 66.41 64.80 3f8m h THR 86 Cb 0.07 0.99 -0.03 0.00 -1.73 0.00 0.00 68.15 67.45 3f8m h THR 86 CO -0.01 0.37 0.24 -0.33 -0.25 0.00 0.00 175.52 175.54 3f8m h GLU 87 N 0.67 1.16 -0.41 4.72 5.08 -1.94 0.78 114.58 124.64 3f8m h GLU 87 Ca 0.12 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3f8m h GLU 87 Cb 0.51 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3f8m h GLU 87 CO 0.03 0.98 0.17 0.00 -1.00 0.00 0.00 179.01 179.19 3f8m h ALA 88 N 1.14 0.53 -0.35 3.43 0.00 -0.82 -1.62 119.26 121.57 3f8m h ALA 88 Ca 0.24 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3f8m h ALA 88 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3f8m h ALA 88 CO -0.01 0.13 -0.10 0.00 0.00 0.00 0.00 179.25 179.27 3f8m h ALA 89 N 1.02 0.48 -0.43 0.00 0.00 -1.16 -3.03 119.26 116.14 3f8m h ALA 89 Ca 0.14 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.82 3f8m h ALA 89 Cb 0.17 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 3f8m h ALA 89 CO -0.01 0.34 -0.31 0.87 0.00 0.00 0.00 179.25 180.14 3f8m h LYS 90 N 0.47 -0.21 -0.71 0.00 1.57 -0.72 -0.33 116.57 116.64 3f8m h LYS 90 Ca 0.09 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.09 3f8m h LYS 90 Cb 0.61 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 3f8m h LYS 90 CO 0.04 -0.14 0.81 0.00 -0.57 0.00 0.00 179.45 179.58 3f8m h ALA 91 N 0.85 2.51 -0.22 3.86 0.00 -1.17 0.24 119.26 125.33 3f8m h ALA 91 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3f8m h ALA 91 Cb 0.53 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3f8m h ALA 91 CO -0.56 -1.17 0.00 1.04 0.00 0.00 0.00 179.25 178.56 3f8m n GLN 92 N -3.49 1.99 -2.59 0.00 6.02 -0.48 -4.97 117.38 113.86 3f8m n GLN 92 Ca 0.15 -1.88 -0.11 0.00 -0.01 0.00 0.00 57.00 55.15 3f8m n GLN 92 Cb 1.05 -1.38 0.02 0.00 1.02 0.00 0.00 30.24 30.94 3f8m n GLN 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f8m n GLY 93 N 1.08 0.10 3.44 1.08 0.00 0.83 -5.04 105.19 106.67 3f8m n GLY 93 Ca 0.14 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3f8m n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f8m s LEU 94 N -3.40 2.54 -0.70 0.99 1.43 -0.26 -5.00 118.68 114.28 3f8m s LEU 94 Ca 0.13 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.62 3f8m s LEU 94 Cb -0.06 -1.48 0.14 0.00 0.03 0.00 0.00 46.19 44.82 3f8m s LEU 94 CO 0.16 0.26 0.76 -0.94 0.23 0.00 0.00 176.35 176.83 3f8m s SER 95 N -1.35 6.40 0.06 2.29 1.04 -1.26 -3.46 113.70 117.43 3f8m s SER 95 Ca 0.14 -1.90 0.00 0.00 0.48 0.00 0.00 55.95 54.67 3f8m s SER 95 Cb -0.10 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 3f8m s SER 95 CO 0.04 -0.94 0.21 0.00 0.98 0.00 0.00 173.24 173.54 3f8m s ALA 96 N 1.91 4.01 0.36 5.32 0.00 -1.26 -1.82 121.76 130.27 3f8m s ALA 96 Ca 0.15 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.27 3f8m s ALA 96 Cb -0.18 -1.83 -0.00 0.00 0.00 0.00 0.00 23.12 21.11 3f8m s ALA 96 CO -0.01 0.81 0.46 0.41 0.00 0.00 0.00 175.76 177.43 3f8m n GLY 97 N 0.24 2.26 2.99 0.00 0.00 -0.17 -4.96 105.19 105.56 3f8m n GLY 97 Ca -0.05 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 3f8m n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f8m s ARG 98 N -2.96 0.49 -0.07 1.61 0.52 -1.26 -0.94 118.95 116.34 3f8m s ARG 98 Ca 0.33 -0.35 0.04 0.00 -0.52 0.00 0.00 55.73 55.22 3f8m s ARG 98 Cb -0.00 -0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.05 3f8m s ARG 98 CO 0.23 0.11 -0.18 0.42 0.02 0.00 0.00 175.30 175.90 3f8m s ILE 99 N -0.45 1.55 0.07 1.52 1.01 0.32 -4.63 121.20 120.60 3f8m s ILE 99 Ca -0.01 -0.75 -0.31 0.00 0.00 0.00 0.00 60.65 59.59 3f8m s ILE 99 Cb -0.04 -1.36 -0.08 0.00 0.01 0.00 0.00 42.46 40.99 3f8m s ILE 99 CO -0.00 0.45 1.58 -0.22 0.00 0.00 0.00 174.94 176.75 3f8m s LEU 100 N 0.34 4.36 -0.12 2.97 2.96 -1.26 -1.10 118.68 126.83 3f8m s LEU 100 Ca -0.12 2.42 -0.06 0.00 -0.22 0.00 0.00 54.13 56.15 3f8m s LEU 100 Cb -0.15 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 3f8m s LEU 100 CO 0.05 -0.84 -0.12 0.58 -1.32 0.00 0.00 176.35 174.70 3f8m h VAL 101 N 4.70 0.00 -1.64 1.68 2.07 -1.18 -3.47 116.25 118.41 3f8m h VAL 101 Ca -0.42 -0.91 0.07 0.00 0.82 0.00 0.00 66.70 66.26 3f8m h VAL 101 Cb 1.20 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.75 3f8m h VAL 101 CO 0.92 0.00 0.50 0.00 0.02 0.00 0.00 177.57 179.01 3f8m s ALA 102 N -2.72 -1.91 0.00 1.67 0.00 -0.97 -5.01 121.76 112.82 3f8m s ALA 102 Ca -0.10 1.54 -0.15 0.00 0.00 0.00 0.00 51.96 53.25 3f8m s ALA 102 Cb 0.01 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.49 3f8m s ALA 102 CO 0.15 -0.33 0.41 -1.58 0.00 0.00 0.00 175.76 174.41 3f8m s TRP 103 N -1.19 3.73 0.02 0.00 0.52 -1.26 -1.07 118.94 119.68 3f8m s TRP 103 Ca -0.03 1.00 0.05 0.00 0.02 0.00 0.00 56.10 57.14 3f8m s TRP 103 Cb -0.00 -2.29 -0.02 0.00 -1.15 0.00 0.00 33.47 30.01 3f8m s TRP 103 CO 0.02 0.64 -0.14 -1.12 0.02 0.00 0.00 176.95 176.37 3f8m s SER 104 N -1.10 1.66 -0.25 2.95 0.01 0.12 -4.99 113.70 112.10 3f8m s SER 104 Ca 0.24 -0.36 -0.06 0.00 1.31 0.00 0.00 55.95 57.08 3f8m s SER 104 Cb -0.17 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 3f8m s SER 104 CO 0.14 0.10 0.04 -1.81 0.41 0.00 0.00 173.24 172.12 3f8m s ASP 105 N -0.74 4.89 0.42 2.44 1.01 -1.26 -0.46 116.67 122.97 3f8m s ASP 105 Ca 0.04 -0.40 0.03 0.00 0.71 0.00 0.00 52.55 52.93 3f8m s ASP 105 Cb -0.07 -1.86 -0.02 0.00 1.01 0.00 0.00 42.92 41.98 3f8m s ASP 105 CO 0.00 -0.07 0.11 -0.76 0.21 0.00 0.00 175.17 174.65 3f8m s LEU 106 N 1.54 2.06 0.16 1.23 1.43 -0.24 -5.01 118.68 119.85 3f8m s LEU 106 Ca 0.05 -1.66 0.08 0.00 -1.03 0.00 0.00 54.13 51.57 3f8m s LEU 106 Cb -0.15 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.80 3f8m s LEU 106 CO 0.01 -0.90 -0.16 0.42 0.23 0.00 0.00 176.35 175.95 3f8m s THR 107 N -3.15 1.65 -0.14 5.49 -4.23 -1.26 -0.99 115.64 113.00 3f8m s THR 107 Ca 0.21 -1.89 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 3f8m s THR 107 Cb 0.03 -1.77 -0.01 0.00 1.34 0.00 0.00 72.50 72.09 3f8m s THR 107 CO 0.13 -0.39 1.04 0.00 -0.54 0.00 0.00 174.62 174.86 3f8m s ALA 108 N -2.21 3.51 1.06 3.99 0.00 0.09 -4.85 121.76 123.35 3f8m s ALA 108 Ca 0.14 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 3f8m s ALA 108 Cb -0.05 -3.48 0.24 0.00 0.00 0.00 0.00 23.12 19.83 3f8m s ALA 108 CO 0.05 -0.77 1.27 0.16 0.00 0.00 0.00 175.76 176.48 3f8m s ASP 109 N 1.19 2.21 0.18 0.00 1.47 -1.26 -0.79 116.67 119.67 3f8m s ASP 109 Ca 0.48 0.30 -0.14 0.00 1.18 0.00 0.00 52.55 54.36 3f8m s ASP 109 Cb -0.18 -0.33 0.17 0.00 -0.34 0.00 0.00 42.92 42.24 3f8m s ASP 109 CO 0.15 -3.30 1.68 -0.33 0.68 0.00 0.00 175.17 174.05 3f8m h GLU 110 N -2.03 0.09 0.07 2.11 3.07 -1.97 0.19 114.58 116.11 3f8m h GLU 110 Ca -0.44 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3f8m h GLU 110 Cb 1.24 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3f8m h GLU 110 CO 0.33 0.06 -0.03 0.28 -1.40 0.00 0.00 179.01 178.24 3f8m h VAL 111 N 0.09 1.04 -0.65 3.13 2.07 -2.00 -2.23 116.25 117.71 3f8m h VAL 111 Ca 0.24 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 3f8m h VAL 111 Cb 0.36 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3f8m h VAL 111 CO -0.41 0.09 0.17 0.25 0.02 0.00 0.00 177.57 177.68 3f8m h LEU 112 N -0.26 0.98 -0.58 2.57 5.85 -1.88 -1.04 115.31 120.95 3f8m h LEU 112 Ca -0.01 -0.23 0.11 0.00 0.84 0.00 0.00 57.88 58.59 3f8m h LEU 112 Cb 0.22 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3f8m h LEU 112 CO 0.02 0.95 0.11 0.00 -0.34 0.00 0.00 178.44 179.18 3f8m h ALA 113 N 1.06 0.67 -0.79 1.25 0.00 -0.56 -0.59 119.26 120.30 3f8m h ALA 113 Ca 0.20 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.27 3f8m h ALA 113 Cb 0.35 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3f8m h ALA 113 CO 0.00 -0.32 0.51 0.78 0.00 0.00 0.00 179.25 180.22 3f8m h GLY 114 N 0.24 1.13 0.96 0.00 0.00 -0.93 0.19 103.07 104.67 3f8m h GLY 114 Ca 0.30 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3f8m h GLY 114 CO -0.40 0.35 0.07 -2.08 0.00 0.00 0.00 176.54 174.48 3f8m h VAL 115 N 1.00 1.25 -0.01 4.60 2.07 -0.31 -3.09 116.25 121.76 3f8m h VAL 115 Ca 0.31 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3f8m h VAL 115 Cb -0.02 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3f8m h VAL 115 CO -0.10 0.32 -0.40 0.18 0.02 0.00 0.00 177.57 177.59 3f8m n LEU 116 N -4.46 0.91 -3.43 2.57 4.77 -0.31 -4.84 117.00 112.20 3f8m n LEU 116 Ca 0.00 -0.22 -0.23 0.00 -0.03 0.00 0.00 56.01 55.54 3f8m n LEU 116 Cb 0.25 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.26 3f8m n LEU 116 CO 0.40 0.18 0.23 0.61 -1.33 0.00 0.00 177.39 177.48 3f8m n GLY 117 N 1.41 -0.48 3.81 -0.72 0.00 0.59 -4.30 105.19 105.50 3f8m n GLY 117 Ca 0.09 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 3f8m n GLY 117 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f8m s VAL 118 N -3.30 1.62 0.43 1.61 -7.23 -0.76 -5.01 120.40 107.77 3f8m s VAL 118 Ca 0.55 -1.73 -0.24 0.00 -1.81 0.00 0.00 61.98 58.76 3f8m s VAL 118 Cb -0.24 -2.35 -0.08 0.00 0.56 0.00 0.00 36.38 34.27 3f8m s VAL 118 CO 0.68 0.00 1.16 -1.81 -0.31 0.00 0.00 175.10 174.82 3f8m s ASP 119 N -4.05 6.35 0.17 4.85 1.01 -1.26 -4.53 116.67 119.21 3f8m s ASP 119 Ca 0.25 2.31 -0.34 0.00 0.71 0.00 0.00 52.55 55.48 3f8m s ASP 119 Cb 0.01 -2.61 -0.14 0.00 1.01 0.00 0.00 42.92 41.19 3f8m s ASP 119 CO 0.15 -0.80 1.50 0.52 0.21 0.00 0.00 175.17 176.75 3f8m n VAL 120 N -0.24 0.25 -0.04 -1.27 0.31 -1.26 -1.70 118.33 114.38 3f8m n VAL 120 Ca 0.06 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3f8m n VAL 120 Cb 0.47 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 3f8m n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f8m n GLY 121 N 2.97 1.40 3.74 2.92 0.00 0.03 -4.98 105.19 111.27 3f8m n GLY 121 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3f8m n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f8m s ALA 122 N -2.53 2.43 0.27 4.61 0.00 -0.69 -4.41 121.76 121.44 3f8m s ALA 122 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 3f8m s ALA 122 Cb 0.00 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 3f8m s ALA 122 CO 0.00 -1.44 1.25 -1.25 0.00 0.00 0.00 175.76 174.32 3f8m s PRO 123 N -3.39 4.44 -0.07 0.00 0.04 -1.26 -0.73 135.00 134.03 3f8m s PRO 123 Ca 0.80 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.92 3f8m s PRO 123 Cb -0.34 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.06 3f8m s PRO 123 CO 0.37 -0.10 -0.16 0.08 0.04 0.00 0.00 177.00 177.23 3f8m s VAL 124 N -0.71 1.40 -0.23 -0.36 1.01 -0.16 -1.34 120.40 120.00 3f8m s VAL 124 Ca 0.50 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 3f8m s VAL 124 Cb -0.36 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3f8m s VAL 124 CO 0.45 0.41 0.11 -0.22 0.00 0.00 0.00 175.10 175.85 3f8m s LEU 125 N 0.49 3.82 -0.14 3.92 2.96 0.00 -1.07 118.68 128.65 3f8m s LEU 125 Ca -0.14 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3f8m s LEU 125 Cb -0.16 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 3f8m s LEU 125 CO 0.05 0.05 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.48 3f8m s GLN 126 N 1.12 3.55 -0.18 1.98 0.74 0.39 -0.83 119.66 126.43 3f8m s GLN 126 Ca 0.06 -0.58 -0.03 0.00 0.05 0.00 0.00 55.36 54.86 3f8m s GLN 126 Cb -0.14 -2.81 -0.02 0.00 1.10 0.00 0.00 33.01 31.14 3f8m s GLN 126 CO 0.04 0.25 -0.05 -1.17 -0.55 0.00 0.00 175.29 173.81 3f8m s LEU 127 N 0.32 3.05 -0.09 3.68 2.96 0.02 -0.70 118.68 127.92 3f8m s LEU 127 Ca -0.06 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 3f8m s LEU 127 Cb -0.15 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 3f8m s LEU 127 CO 0.04 0.09 -0.23 -1.61 -1.32 0.00 0.00 176.35 173.32 3f8m s GLU 128 N 0.80 2.93 0.03 1.98 2.02 -0.23 -0.20 118.70 126.02 3f8m s GLU 128 Ca -0.02 -0.87 -0.04 0.00 0.02 0.00 0.00 54.97 54.07 3f8m s GLU 128 Cb -0.15 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 3f8m s GLU 128 CO 0.02 0.25 0.06 1.03 0.02 0.00 0.00 175.26 176.63 3f8m s ARG 129 N 0.18 0.51 -0.10 1.61 0.52 -0.44 -0.59 118.95 120.64 3f8m s ARG 129 Ca -0.13 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 54.33 3f8m s ARG 129 Cb -0.16 0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.47 3f8m s ARG 129 CO 0.07 -0.12 0.00 0.14 0.02 0.00 0.00 175.30 175.42 3f8m s VAL 130 N -2.32 4.31 -0.01 3.52 -7.23 -0.26 -0.68 120.40 117.73 3f8m s VAL 130 Ca -0.08 -0.24 -0.08 0.00 -1.81 0.00 0.00 61.98 59.77 3f8m s VAL 130 Cb -0.03 -2.83 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 3f8m s VAL 130 CO -0.03 0.59 0.29 -0.76 -0.31 0.00 0.00 175.10 174.87 3f8m s LEU 131 N -0.70 4.39 0.07 1.32 1.43 0.18 -0.52 118.68 124.85 3f8m s LEU 131 Ca 0.11 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 3f8m s LEU 131 Cb -0.12 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 3f8m s LEU 131 CO 0.02 0.28 -0.07 0.42 0.23 0.00 0.00 176.35 177.23 3f8m s THR 132 N -1.23 0.64 -0.07 5.49 -4.23 -0.11 -0.33 115.64 115.80 3f8m s THR 132 Ca 0.25 -1.50 -0.04 0.00 -1.18 0.00 0.00 61.69 59.22 3f8m s THR 132 Cb -0.14 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.59 3f8m s THR 132 CO 0.14 -0.62 0.16 0.28 -0.54 0.00 0.00 174.62 174.04 3f8m s THR 133 N -2.47 -0.04 -1.44 3.99 -1.32 -0.27 -1.00 115.64 113.10 3f8m s THR 133 Ca 0.01 0.13 -0.07 0.00 -1.21 0.00 0.00 61.69 60.54 3f8m s THR 133 Cb -0.03 -0.25 0.05 0.00 -1.51 0.00 0.00 72.50 70.76 3f8m s THR 133 CO -0.02 0.05 0.83 -0.67 -2.21 0.00 0.00 174.62 172.60 3f8m n ASP 134 N 3.90 -3.02 0.00 8.08 2.03 -0.75 -1.03 116.55 125.76 3f8m n ASP 134 Ca -0.23 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.27 3f8m n ASP 134 Cb 0.54 -3.88 0.00 0.00 -0.72 0.00 0.00 41.12 37.06 3f8m n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3f8m n GLY 135 N -1.66 0.65 3.32 0.27 0.00 -1.26 -5.03 105.19 101.48 3f8m n GLY 135 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 3f8m n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f8m s VAL 136 N -2.84 1.83 0.15 1.61 -7.23 -0.20 -5.12 120.40 108.60 3f8m s VAL 136 Ca 0.00 -1.70 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 3f8m s VAL 136 Cb 0.00 -1.71 -0.07 0.00 0.56 0.00 0.00 36.38 35.16 3f8m s VAL 136 CO 0.00 -0.12 1.12 -0.13 -0.31 0.00 0.00 175.10 175.66 3f8m s ARG 137 N -2.22 4.56 -0.12 4.82 1.81 -1.26 -1.12 118.95 125.42 3f8m s ARG 137 Ca 0.11 1.73 0.00 0.00 -1.72 0.00 0.00 55.73 55.84 3f8m s ARG 137 Cb -0.09 -3.29 -0.08 0.00 -0.45 0.00 0.00 34.95 31.04 3f8m s ARG 137 CO 0.05 0.00 -0.11 0.28 -0.68 0.00 0.00 175.30 174.84 3f8m n VAL 138 N 2.70 0.70 -3.59 3.52 0.31 0.55 -4.90 118.33 117.61 3f8m n VAL 138 Ca 0.04 -0.26 -0.05 0.00 -0.01 0.00 0.00 64.34 64.06 3f8m n VAL 138 Cb 0.46 -1.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.38 3f8m n VAL 138 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3f8m s GLY 139 N -5.18 -0.37 -0.15 2.92 0.00 -1.12 -0.81 107.32 102.62 3f8m s GLY 139 Ca -0.16 1.01 0.02 0.00 0.00 0.00 0.00 44.72 45.58 3f8m s GLY 139 CO 0.28 0.31 -0.21 -2.27 0.00 0.00 0.00 173.10 171.21 3f8m s LEU 140 N -2.53 2.07 -0.14 0.66 2.96 0.41 -0.65 118.68 121.46 3f8m s LEU 140 Ca 0.09 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3f8m s LEU 140 Cb -0.00 -1.42 0.01 0.00 0.50 0.00 0.00 46.19 45.27 3f8m s LEU 140 CO -0.05 0.06 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.22 3f8m s GLU 141 N 0.94 3.09 -0.24 1.98 2.02 0.14 -0.29 118.70 126.34 3f8m s GLU 141 Ca -0.04 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.15 3f8m s GLU 141 Cb -0.15 -2.48 0.05 0.00 0.10 0.00 0.00 34.13 31.65 3f8m s GLU 141 CO -0.04 0.02 -0.11 0.99 0.02 0.00 0.00 175.26 176.14 3f8m s THR 142 N 0.76 1.98 -0.19 3.63 2.01 0.57 -1.32 115.64 123.08 3f8m s THR 142 Ca -0.08 -1.43 -0.03 0.00 0.31 0.00 0.00 61.69 60.46 3f8m s THR 142 Cb -0.16 -2.09 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 3f8m s THR 142 CO -0.00 0.02 -0.07 -0.89 -0.69 0.00 0.00 174.62 172.99 3f8m s THR 143 N 1.21 3.32 -0.21 -0.82 2.01 0.72 -0.99 115.64 120.87 3f8m s THR 143 Ca -0.06 -0.53 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 3f8m s THR 143 Cb -0.19 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 3f8m s THR 143 CO -0.06 0.46 0.10 -0.54 -0.69 0.00 0.00 174.62 173.89 3f8m s LYS 144 N 1.03 3.94 0.02 4.92 1.02 0.24 -0.80 119.74 130.11 3f8m s LYS 144 Ca 0.00 -0.35 0.08 0.00 0.02 0.00 0.00 55.97 55.72 3f8m s LYS 144 Cb -0.15 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 3f8m s LYS 144 CO -0.00 0.11 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.79 3f8m s LEU 145 N 0.86 2.12 -0.36 3.17 1.43 -0.01 -1.59 118.68 124.30 3f8m s LEU 145 Ca 0.05 -0.50 -0.28 0.00 -1.03 0.00 0.00 54.13 52.36 3f8m s LEU 145 Cb -0.13 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 3f8m s LEU 145 CO 0.03 0.24 1.81 -2.16 0.23 0.00 0.00 176.35 176.50 3f8m s PRO 146 N -0.94 3.26 0.43 1.29 0.04 -1.26 -0.82 135.00 137.00 3f8m s PRO 146 Ca 0.10 1.36 0.11 0.00 0.04 0.00 0.00 61.00 62.60 3f8m s PRO 146 Cb -0.09 -4.22 0.98 0.00 0.04 0.00 0.00 34.50 31.21 3f8m s PRO 146 CO 0.01 -1.95 2.03 0.00 0.04 0.00 0.00 177.00 177.13 3f8m h ALA 147 N 13.12 1.88 0.00 8.56 0.00 -1.53 -1.67 119.26 139.63 3f8m h ALA 147 Ca -0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3f8m h ALA 147 Cb 1.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3f8m h ALA 147 CO 1.05 0.04 -0.08 -0.56 0.00 0.00 0.00 179.25 179.71 3f8m h GLN 148 N 0.43 0.00 0.00 0.00 -0.00 -1.89 -2.21 115.11 111.44 3f8m h GLN 148 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 3f8m h GLN 148 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.71 3f8m h GLN 148 CO -0.05 0.08 0.00 0.00 -0.00 0.00 0.00 178.83 178.86 3f8m h ARG 149 N 0.00 0.00 -2.08 0.06 3.08 -1.69 -3.38 114.38 110.37 3f8m h ARG 149 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3f8m h ARG 149 Cb 0.55 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.19 3f8m h ARG 149 CO 0.01 0.00 -0.99 0.66 -1.07 0.00 0.00 179.97 178.58 3f8m n TYR 150 N -2.56 1.66 -1.86 3.04 4.01 -0.83 -5.10 117.16 115.53 3f8m n TYR 150 Ca 0.02 -3.86 -0.39 0.00 -0.16 0.00 0.00 57.90 53.52 3f8m n TYR 150 Cb 0.30 -0.44 0.02 0.00 -0.31 0.00 0.00 39.34 38.92 3f8m n TYR 150 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3f8m s PRO 151 N -2.84 3.46 0.00 -0.72 0.04 -1.26 -2.15 135.00 131.54 3f8m s PRO 151 Ca 0.43 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.71 3f8m s PRO 151 Cb 0.33 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3f8m s PRO 151 CO -0.10 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.41 3f8m n GLY 152 N 0.65 0.92 0.24 0.56 0.00 -1.26 -4.91 105.19 101.38 3f8m n GLY 152 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 3f8m n GLY 152 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3f8m h LEU 153 N 0.00 -0.32 -2.11 0.99 5.85 -1.84 0.92 115.31 118.80 3f8m h LEU 153 Ca 0.00 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3f8m h LEU 153 Cb 0.00 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3f8m h LEU 153 CO 0.00 -0.14 0.19 0.03 -0.34 0.00 0.00 178.44 178.18 3f8m h ARG 154 N 0.10 0.00 0.12 1.25 3.08 -1.91 0.30 114.38 117.32 3f8m h ARG 154 Ca 0.34 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.16 3f8m h ARG 154 Cb 0.56 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.61 3f8m h ARG 154 CO -0.57 0.00 -1.13 0.93 -1.07 0.00 0.00 179.97 178.13 3f8m h GLU 155 N 0.00 0.25 0.00 0.04 3.07 0.35 -3.37 114.58 114.92 3f8m h GLU 155 Ca 0.11 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 3f8m h GLU 155 Cb 0.49 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 3f8m h GLU 155 CO -0.00 1.20 -0.11 1.79 -1.40 0.00 0.00 179.01 180.50 3f8m h THR 156 N -0.38 0.00 -3.43 1.13 1.35 -0.76 -3.46 112.91 107.35 3f8m h THR 156 Ca -0.23 -0.99 -0.59 0.00 -0.55 0.00 0.00 66.41 64.04 3f8m h THR 156 Cb 1.67 1.94 -0.10 0.00 -1.73 0.00 0.00 68.15 69.93 3f8m h THR 156 CO 0.08 0.00 0.06 0.12 -0.25 0.00 0.00 175.52 175.53 3f8m s PHE 157 N -3.22 3.38 -0.57 4.73 5.36 0.08 -5.03 117.98 122.71 3f8m s PHE 157 Ca 0.06 0.88 -0.28 0.00 -0.96 0.00 0.00 56.93 56.63 3f8m s PHE 157 Cb 0.06 -2.75 0.03 0.00 -0.34 0.00 0.00 43.02 40.02 3f8m s PHE 157 CO 0.68 -0.14 1.15 0.34 -1.46 0.00 0.00 175.22 175.79 3f8m s ASP 158 N 1.17 6.44 0.06 6.13 2.15 -1.26 -4.89 116.67 126.47 3f8m s ASP 158 Ca 0.27 0.06 0.08 0.00 0.43 0.00 0.00 52.55 53.39 3f8m s ASP 158 Cb -0.16 -2.53 0.36 0.00 -0.30 0.00 0.00 42.92 40.29 3f8m s ASP 158 CO 0.10 -1.43 1.24 0.00 -0.17 0.00 0.00 175.17 174.91 3f8m n HIS 159 N 8.26 0.15 1.18 -5.34 1.44 -1.26 -0.53 115.22 119.11 3f8m n HIS 159 Ca 0.08 0.07 0.13 0.00 -2.01 0.00 0.00 57.72 55.99 3f8m n HIS 159 Cb 0.49 -0.61 0.38 0.00 0.12 0.00 0.00 29.99 30.36 3f8m n HIS 159 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3f8m n GLU 160 N -1.65 0.53 -2.99 -1.40 1.02 -1.26 -4.64 120.64 110.24 3f8m n GLU 160 Ca 0.01 -0.29 -0.20 0.00 -0.02 0.00 0.00 57.16 56.66 3f8m n GLU 160 Cb 0.06 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.05 3f8m n GLU 160 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3f8m s ALA 161 N -2.67 4.63 -0.08 0.62 0.00 0.31 -4.36 121.76 120.21 3f8m s ALA 161 Ca 0.20 -2.14 -0.30 0.00 0.00 0.00 0.00 51.96 49.73 3f8m s ALA 161 Cb 0.19 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 3f8m s ALA 161 CO 0.57 -0.95 1.33 0.45 0.00 0.00 0.00 175.76 177.16 3f8m s SER 162 N -4.69 6.91 0.34 0.00 0.15 -1.26 -4.89 113.70 110.25 3f8m s SER 162 Ca 0.63 1.90 0.07 0.00 0.70 0.00 0.00 55.95 59.24 3f8m s SER 162 Cb -0.05 -2.55 0.61 0.00 -1.71 0.00 0.00 66.02 62.32 3f8m s SER 162 CO 0.40 -0.73 1.82 0.25 1.20 0.00 0.00 173.24 176.18 3f8m h LEU 163 N 9.09 0.31 -0.99 3.45 5.85 -1.96 -2.79 115.31 128.28 3f8m h LEU 163 Ca -0.33 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 3f8m h LEU 163 Cb 1.15 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3f8m h LEU 163 CO 0.93 0.53 0.11 1.88 -0.34 0.00 0.00 178.44 181.55 3f8m h TYR 164 N 0.30 0.88 -0.61 1.25 -1.99 -1.97 0.11 116.97 114.94 3f8m h TYR 164 Ca 0.05 -0.09 -0.10 0.00 2.00 0.00 0.00 58.73 60.60 3f8m h TYR 164 Cb 0.53 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 3f8m h TYR 164 CO 0.01 0.75 0.00 0.00 -0.00 0.00 0.00 178.16 178.92 3f8m h ALA 165 N 1.31 0.85 -0.53 3.88 0.00 -1.92 0.77 119.26 123.62 3f8m h ALA 165 Ca 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3f8m h ALA 165 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3f8m h ALA 165 CO 0.00 0.67 0.16 1.49 0.00 0.00 0.00 179.25 181.57 3f8m h GLU 166 N 0.97 0.83 -0.48 0.00 4.57 -1.14 -0.24 114.58 119.09 3f8m h GLU 166 Ca 0.17 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 3f8m h GLU 166 Cb 0.55 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 3f8m h GLU 166 CO 0.03 0.77 0.06 0.82 -1.18 0.00 0.00 179.01 179.51 3f8m h ILE 167 N 0.74 1.25 -0.97 2.32 2.04 -0.54 -2.80 117.51 119.55 3f8m h ILE 167 Ca 0.17 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 65.11 3f8m h ILE 167 Cb 0.29 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 3f8m h ILE 167 CO -0.00 0.34 0.64 0.03 0.00 0.00 0.00 178.15 179.15 3f8m h ARG 168 N 0.67 1.21 0.00 2.37 3.08 -0.62 -1.71 114.38 119.39 3f8m h ARG 168 Ca 0.14 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3f8m h ARG 168 Cb 0.42 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3f8m h ARG 168 CO 0.01 0.80 0.00 0.66 -1.07 0.00 0.00 179.97 180.37 3f8m h SER 169 N 1.25 0.00 -0.43 7.04 4.64 -0.82 0.06 113.55 125.28 3f8m h SER 169 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3f8m h SER 169 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3f8m h SER 169 CO -0.12 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.38 3f8m n ARG 170 N -2.78 2.06 -0.85 4.77 1.74 -0.65 -4.92 116.66 116.02 3f8m n ARG 170 Ca -0.01 -1.64 0.00 0.00 -0.77 0.00 0.00 57.85 55.43 3f8m n ARG 170 Cb 0.15 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3f8m n ARG 170 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f8m n GLY 171 N 1.24 0.55 3.27 -0.13 0.00 0.01 -5.05 105.19 105.08 3f8m n GLY 171 Ca 0.16 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 3f8m n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f8m s ILE 172 N -2.00 3.17 -0.10 -0.61 1.01 -1.14 -5.02 121.20 116.50 3f8m s ILE 172 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 3f8m s ILE 172 Cb 0.00 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 3f8m s ILE 172 CO 0.00 0.35 0.15 0.00 0.00 0.00 0.00 174.94 175.45 3f8m s ALA 173 N 1.42 3.89 -0.57 9.38 0.00 -1.26 -3.46 121.76 131.16 3f8m s ALA 173 Ca 0.04 -0.65 -0.25 0.00 0.00 0.00 0.00 51.96 51.11 3f8m s ALA 173 Cb -0.15 -1.97 0.04 0.00 0.00 0.00 0.00 23.12 21.04 3f8m s ALA 173 CO -0.04 0.64 0.98 -0.06 0.00 0.00 0.00 175.76 177.28 3f8m s PHE 174 N -1.08 2.75 -0.20 0.00 0.08 -1.26 -3.28 117.98 115.00 3f8m s PHE 174 Ca 0.17 0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.24 3f8m s PHE 174 Cb -0.12 -4.16 -0.13 0.00 -0.57 0.00 0.00 43.02 38.04 3f8m s PHE 174 CO 0.07 -1.42 -0.17 2.41 -0.10 0.00 0.00 175.22 176.01 3f8m n THR 175 N 6.24 1.12 -3.77 0.64 -1.04 -0.05 -4.98 114.28 112.43 3f8m n THR 175 Ca 0.02 -0.43 -0.14 0.00 -2.04 0.00 0.00 64.05 61.46 3f8m n THR 175 Cb 0.48 -1.19 -0.15 0.00 -1.82 0.00 0.00 70.33 67.65 3f8m n THR 175 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3f8m s ARG 176 N -2.39 0.01 0.12 -2.82 3.52 -0.76 -5.01 118.95 111.62 3f8m s ARG 176 Ca -0.26 0.23 0.08 0.00 -0.13 0.00 0.00 55.73 55.65 3f8m s ARG 176 Cb 0.07 -0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.22 3f8m s ARG 176 CO 0.45 -0.15 -0.13 0.95 -0.81 0.00 0.00 175.30 175.62 3f8m s THR 177 N 0.99 3.17 -0.19 4.11 -4.23 -1.26 -0.00 115.64 118.22 3f8m s THR 177 Ca -0.08 -1.41 -0.02 0.00 -1.18 0.00 0.00 61.69 58.99 3f8m s THR 177 Cb -0.11 -2.49 0.06 0.00 1.34 0.00 0.00 72.50 71.30 3f8m s THR 177 CO -0.04 0.07 0.02 -0.69 -0.54 0.00 0.00 174.62 173.45 3f8m s VAL 178 N -1.27 0.64 0.01 2.29 1.01 -0.55 -5.01 120.40 117.52 3f8m s VAL 178 Ca 0.21 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3f8m s VAL 178 Cb -0.11 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3f8m s VAL 178 CO 0.13 -0.17 0.03 -1.81 0.00 0.00 0.00 175.10 173.27 3f8m s ASP 179 N 1.81 5.28 -0.01 3.32 1.01 -1.26 -1.93 116.67 124.90 3f8m s ASP 179 Ca -0.01 0.01 0.07 0.00 0.71 0.00 0.00 52.55 53.34 3f8m s ASP 179 Cb -0.17 -1.41 -0.02 0.00 1.01 0.00 0.00 42.92 42.33 3f8m s ASP 179 CO -0.08 0.26 -0.23 0.42 0.21 0.00 0.00 175.17 175.75 3f8m s THR 180 N -1.16 2.34 -0.10 -1.27 -4.23 0.15 -4.97 115.64 106.40 3f8m s THR 180 Ca 0.22 -1.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 3f8m s THR 180 Cb -0.12 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.87 3f8m s THR 180 CO 0.13 0.52 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.94 3f8m s ILE 181 N -0.70 1.48 0.21 2.99 1.01 -1.26 -1.13 121.20 123.79 3f8m s ILE 181 Ca 0.11 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.14 3f8m s ILE 181 Cb -0.10 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 3f8m s ILE 181 CO 0.00 0.43 -0.01 -1.81 0.00 0.00 0.00 174.94 173.56 3f8m s ASP 182 N 0.82 1.67 0.45 3.58 1.01 0.09 -4.99 116.67 119.30 3f8m s ASP 182 Ca -0.10 -1.19 -0.03 0.00 0.71 0.00 0.00 52.55 51.94 3f8m s ASP 182 Cb -0.16 0.04 -0.03 0.00 1.01 0.00 0.00 42.92 43.78 3f8m s ASP 182 CO 0.01 -0.51 0.71 0.42 0.21 0.00 0.00 175.17 176.01 3f8m s THR 183 N -3.47 4.75 0.28 -1.27 -4.23 -1.26 -0.58 115.64 109.85 3f8m s THR 183 Ca 0.26 -0.11 -0.20 0.00 -1.18 0.00 0.00 61.69 60.47 3f8m s THR 183 Cb 0.05 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 70.13 3f8m s THR 183 CO 0.07 -0.67 0.69 0.00 -0.54 0.00 0.00 174.62 174.17 3f8m s ALA 184 N -2.61 -1.09 0.07 3.99 0.00 -0.25 -4.73 121.76 117.14 3f8m s ALA 184 Ca 0.46 -0.39 0.10 0.00 0.00 0.00 0.00 51.96 52.12 3f8m s ALA 184 Cb -0.10 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 3f8m s ALA 184 CO 0.41 -1.02 -0.26 -0.51 0.00 0.00 0.00 175.76 174.39 3f8m s LEU 185 N -2.93 2.21 0.41 0.00 1.43 -1.26 -0.83 118.68 117.70 3f8m s LEU 185 Ca 0.13 -0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 52.37 3f8m s LEU 185 Cb -0.05 -1.24 -0.10 0.00 0.03 0.00 0.00 46.19 44.82 3f8m s LEU 185 CO 0.07 0.23 0.97 -2.16 0.23 0.00 0.00 176.35 175.69 3f8m s PRO 186 N -1.46 4.27 0.98 1.29 0.04 -1.26 -5.01 135.00 133.85 3f8m s PRO 186 Ca 0.12 1.24 -0.16 0.00 0.04 0.00 0.00 61.00 62.24 3f8m s PRO 186 Cb -0.10 -2.36 0.20 0.00 0.04 0.00 0.00 34.50 32.28 3f8m s PRO 186 CO 0.03 -0.01 1.29 0.16 0.04 0.00 0.00 177.00 178.51 3f8m s ASP 187 N -1.96 2.94 0.24 6.66 1.47 -1.26 -4.64 116.67 120.13 3f8m s ASP 187 Ca 0.59 0.35 -0.05 0.00 1.18 0.00 0.00 52.55 54.62 3f8m s ASP 187 Cb -0.13 -0.45 0.32 0.00 -0.34 0.00 0.00 42.92 42.32 3f8m s ASP 187 CO 0.18 -2.85 1.87 0.00 0.68 0.00 0.00 175.17 175.05 3f8m h ALA 188 N -1.72 1.22 -0.22 2.11 0.00 -1.99 -0.55 119.26 118.11 3f8m h ALA 188 Ca -0.45 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3f8m h ALA 188 Cb 1.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3f8m h ALA 188 CO 0.39 0.38 -0.10 -0.09 0.00 0.00 0.00 179.25 179.83 3f8m h ARG 189 N 1.08 0.46 -0.64 0.00 2.43 -2.00 -2.20 114.38 113.50 3f8m h ARG 189 Ca 0.38 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3f8m h ARG 189 Cb 0.10 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3f8m h ARG 189 CO -0.15 0.73 0.23 0.93 -1.51 0.00 0.00 179.97 180.20 3f8m h GLU 190 N 0.17 0.96 -0.31 0.20 5.08 -1.80 -1.22 114.58 117.65 3f8m h GLU 190 Ca 0.05 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3f8m h GLU 190 Cb 0.58 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3f8m h GLU 190 CO 0.03 0.80 0.07 0.00 -1.00 0.00 0.00 179.01 178.91 3f8m h ALA 191 N 1.32 0.41 -0.73 3.43 0.00 -1.09 -1.55 119.26 121.05 3f8m h ALA 191 Ca 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3f8m h ALA 191 Cb 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3f8m h ALA 191 CO -0.01 0.09 0.33 0.00 0.00 0.00 0.00 179.25 179.66 3f8m h ALA 192 N 0.90 1.20 0.00 0.00 0.00 -1.02 -0.97 119.26 119.37 3f8m h ALA 192 Ca 0.10 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3f8m h ALA 192 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3f8m h ALA 192 CO 0.00 0.60 -0.33 -0.07 0.00 0.00 0.00 179.25 179.45 3f8m h LEU 193 N 1.05 0.00 -2.99 0.00 3.38 -1.06 -3.31 115.31 112.38 3f8m h LEU 193 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3f8m h LEU 193 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3f8m h LEU 193 CO -0.03 0.33 0.00 0.18 0.09 0.00 0.00 178.44 179.01 3f8m n LEU 194 N -3.72 2.36 -2.08 1.67 4.77 -0.60 -4.93 117.00 114.47 3f8m n LEU 194 Ca -0.01 -2.21 -0.17 0.00 -0.03 0.00 0.00 56.01 53.59 3f8m n LEU 194 Cb 0.43 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3f8m n LEU 194 CO 0.36 0.59 -0.14 0.61 -1.33 0.00 0.00 177.39 177.48 3f8m n GLY 195 N -0.41 -0.30 3.82 -0.72 0.00 -0.62 -4.73 105.19 102.24 3f8m n GLY 195 Ca 0.06 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3f8m n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f8m s ALA 196 N -2.90 4.28 0.43 4.61 0.00 -0.47 -5.05 121.76 122.65 3f8m s ALA 196 Ca 0.08 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3f8m s ALA 196 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3f8m s ALA 196 CO 0.10 -0.17 0.10 0.16 0.00 0.00 0.00 175.76 175.95 3f8m s ASP 197 N -4.03 3.06 0.40 0.00 1.47 -1.26 -4.59 116.67 111.71 3f8m s ASP 197 Ca 0.15 -1.65 0.22 0.00 1.18 0.00 0.00 52.55 52.45 3f8m s ASP 197 Cb -0.00 0.47 1.21 0.00 -0.34 0.00 0.00 42.92 44.25 3f8m s ASP 197 CO 0.09 -0.89 1.65 0.00 0.68 0.00 0.00 175.17 176.69 3f8m h ALA 198 N 1.71 1.11 -0.00 2.11 0.00 -1.93 -1.83 119.26 120.42 3f8m h ALA 198 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3f8m h ALA 198 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3f8m h ALA 198 CO 0.61 -0.11 -0.52 0.54 0.00 0.00 0.00 179.25 179.78 3f8m n ARG 199 N -2.35 2.16 -1.66 0.00 1.74 -1.26 -4.53 116.66 110.76 3f8m n ARG 199 Ca -0.01 -0.30 -0.42 0.00 -0.77 0.00 0.00 57.85 56.35 3f8m n ARG 199 Cb 0.18 -1.19 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 3f8m n ARG 199 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3f8m s THR 200 N -2.11 3.02 0.15 0.55 2.01 -0.69 -4.93 115.64 113.64 3f8m s THR 200 Ca 0.08 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.79 3f8m s THR 200 Cb 0.11 -3.02 -0.09 0.00 0.01 0.00 0.00 72.50 69.52 3f8m s THR 200 CO 0.49 -0.00 1.45 -2.84 -0.69 0.00 0.00 174.62 173.03 3f8m s PRO 201 N 4.78 4.28 0.18 4.92 0.02 -1.26 -4.29 135.00 143.63 3f8m s PRO 201 Ca 0.90 2.19 0.11 0.00 0.02 0.00 0.00 61.00 64.22 3f8m s PRO 201 Cb -0.41 -3.20 -0.04 0.00 0.02 0.00 0.00 34.50 30.86 3f8m s PRO 201 CO 0.40 -0.48 -0.24 -1.64 -0.33 0.00 0.00 177.00 174.71 3f8m s MET 202 N 0.95 1.46 0.04 5.54 -1.94 -0.01 -0.52 119.30 124.82 3f8m s MET 202 Ca 0.66 -1.47 -0.15 0.00 -1.71 0.00 0.00 55.69 53.02 3f8m s MET 202 Cb -0.39 -1.80 -0.06 0.00 2.01 0.00 0.00 34.83 34.59 3f8m s MET 202 CO 0.32 0.40 0.45 -0.06 -0.01 0.00 0.00 175.02 176.12 3f8m s PHE 203 N -1.57 3.71 -0.26 -0.03 0.08 0.25 -1.09 117.98 119.08 3f8m s PHE 203 Ca 0.19 1.03 0.00 0.00 0.12 0.00 0.00 56.93 58.27 3f8m s PHE 203 Cb -0.08 -2.32 0.07 0.00 -0.57 0.00 0.00 43.02 40.12 3f8m s PHE 203 CO 0.09 0.60 0.01 -1.17 -0.10 0.00 0.00 175.22 174.64 3f8m s LEU 204 N -1.28 2.65 -0.11 -0.37 2.96 0.25 -0.94 118.68 121.84 3f8m s LEU 204 Ca 0.27 -1.38 -0.04 0.00 -0.22 0.00 0.00 54.13 52.76 3f8m s LEU 204 Cb -0.17 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 3f8m s LEU 204 CO 0.16 -0.30 0.06 -0.76 -1.32 0.00 0.00 176.35 174.18 3f8m s LEU 205 N 1.43 3.92 -0.12 -0.68 1.02 -0.41 -0.74 118.68 123.10 3f8m s LEU 205 Ca 0.01 0.27 0.02 0.00 0.02 0.00 0.00 54.13 54.44 3f8m s LEU 205 Cb -0.18 -1.93 0.01 0.00 0.02 0.00 0.00 46.19 44.11 3f8m s LEU 205 CO -0.11 0.37 -0.18 0.20 0.02 0.00 0.00 176.35 176.65 3f8m s ASN 206 N -0.82 2.70 0.00 2.29 0.01 -0.28 -1.09 114.94 117.75 3f8m s ASN 206 Ca 0.13 -0.50 0.06 0.00 -0.71 0.00 0.00 52.86 51.84 3f8m s ASN 206 Cb -0.12 -1.23 -0.02 0.00 0.41 0.00 0.00 41.25 40.30 3f8m s ASN 206 CO 0.03 0.04 -0.19 -0.60 -1.51 0.00 0.00 177.10 174.87 3f8m s ARG 207 N 0.90 1.47 -0.07 -0.60 3.52 0.11 -0.67 118.95 123.61 3f8m s ARG 207 Ca -0.07 -0.73 0.05 0.00 -0.13 0.00 0.00 55.73 54.85 3f8m s ARG 207 Cb -0.15 -1.46 -0.01 0.00 -1.56 0.00 0.00 34.95 31.77 3f8m s ARG 207 CO -0.01 0.39 -0.24 0.08 -0.81 0.00 0.00 175.30 174.70 3f8m s VAL 208 N -0.53 2.09 0.08 7.11 1.01 -0.81 -0.31 120.40 129.02 3f8m s VAL 208 Ca 0.07 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.07 3f8m s VAL 208 Cb -0.08 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3f8m s VAL 208 CO -0.00 0.57 -0.13 -0.44 0.00 0.00 0.00 175.10 175.10 3f8m s SER 209 N -0.04 4.21 0.02 3.32 0.01 -1.05 -1.48 113.70 118.69 3f8m s SER 209 Ca -0.07 -0.39 0.04 0.00 1.31 0.00 0.00 55.95 56.84 3f8m s SER 209 Cb -0.15 -0.77 -0.02 0.00 0.21 0.00 0.00 66.02 65.29 3f8m s SER 209 CO 0.05 0.21 -0.12 -0.31 0.41 0.00 0.00 173.24 173.48 3f8m s TYR 210 N -1.10 1.07 0.00 2.43 2.02 1.00 0.04 117.35 122.81 3f8m s TYR 210 Ca 0.19 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 3f8m s TYR 210 Cb -0.11 -0.66 0.00 0.00 -0.40 0.00 0.00 41.96 40.79 3f8m s TYR 210 CO 0.10 0.00 0.01 -0.40 -1.57 0.00 0.00 175.55 173.69 3f8m n ASP 211 N 2.33 0.01 0.29 2.29 5.68 -0.49 -0.87 116.55 125.79 3f8m n ASP 211 Ca -0.16 -1.01 0.17 0.00 -0.50 0.00 0.00 54.79 53.29 3f8m n ASP 211 Cb 0.55 -0.00 0.88 0.00 -1.14 0.00 0.00 41.12 41.41 3f8m n ASP 211 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 3f8m h GLN 212 N 0.00 0.00 -0.67 0.11 -0.00 -1.88 0.27 115.11 112.94 3f8m h GLN 212 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3f8m h GLN 212 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.49 3f8m h GLN 212 CO 0.00 0.05 0.00 -0.25 -0.00 0.00 0.00 178.83 178.63 3f8m n ASP 213 N -3.33 3.57 -2.72 0.06 8.00 -1.26 -4.94 116.55 115.93 3f8m n ASP 213 Ca -0.02 -2.01 -0.22 0.00 0.71 0.00 0.00 54.79 53.26 3f8m n ASP 213 Cb 0.20 -0.45 0.02 0.00 -0.02 0.00 0.00 41.12 40.87 3f8m n ASP 213 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3f8m n ASP 214 N 1.44 -6.03 -4.81 -2.24 2.03 0.08 -5.00 116.55 102.01 3f8m n ASP 214 Ca 0.22 -0.17 -0.36 0.00 0.52 0.00 0.00 54.79 55.00 3f8m n ASP 214 Cb 0.56 -4.93 -0.07 0.00 -0.72 0.00 0.00 41.12 35.97 3f8m n ASP 214 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3f8m s VAL 215 N -3.12 5.39 0.30 5.18 1.01 -1.26 -4.79 120.40 123.11 3f8m s VAL 215 Ca 0.17 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 3f8m s VAL 215 Cb -0.07 -3.49 -0.11 0.00 0.00 0.00 0.00 36.38 32.70 3f8m s VAL 215 CO 0.21 0.53 1.56 0.00 0.00 0.00 0.00 175.10 177.40 3f8m s ALA 216 N -0.41 3.71 -0.20 5.51 0.00 -1.26 -1.40 121.76 127.72 3f8m s ALA 216 Ca 0.14 1.54 -0.06 0.00 0.00 0.00 0.00 51.96 53.58 3f8m s ALA 216 Cb -0.12 -3.63 -0.20 0.00 0.00 0.00 0.00 23.12 19.16 3f8m s ALA 216 CO 0.03 -0.96 0.05 -0.89 0.00 0.00 0.00 175.76 173.99 3f8m n ILE 217 N 2.02 1.62 -3.49 0.00 5.41 0.11 -4.88 119.36 120.14 3f8m n ILE 217 Ca 0.07 -0.53 -0.11 0.00 1.00 0.00 0.00 62.75 63.19 3f8m n ILE 217 Cb 0.38 -1.66 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 3f8m n ILE 217 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3f8m s GLU 218 N -2.52 0.94 -0.13 0.38 -1.05 -1.24 -4.43 118.70 110.65 3f8m s GLU 218 Ca -0.30 -0.22 0.03 0.00 -0.15 0.00 0.00 54.97 54.33 3f8m s GLU 218 Cb 0.08 0.44 0.01 0.00 -0.44 0.00 0.00 34.13 34.22 3f8m s GLU 218 CO 0.66 -0.38 -0.22 -1.14 0.95 0.00 0.00 175.26 175.12 3f8m s GLN 219 N -2.78 2.93 -0.07 -4.83 -0.44 -0.62 -2.53 119.66 111.32 3f8m s GLN 219 Ca 0.01 -0.83 0.03 0.00 -2.50 0.00 0.00 55.36 52.07 3f8m s GLN 219 Cb -0.01 -2.34 0.01 0.00 -1.64 0.00 0.00 33.01 29.03 3f8m s GLN 219 CO -0.06 0.03 -0.15 0.50 0.50 0.00 0.00 175.29 176.10 3f8m s ARG 220 N 0.71 2.01 -0.17 1.67 3.52 0.57 -0.59 118.95 126.67 3f8m s ARG 220 Ca -0.10 -0.54 -0.05 0.00 -0.13 0.00 0.00 55.73 54.91 3f8m s ARG 220 Cb -0.16 -1.62 -0.03 0.00 -1.56 0.00 0.00 34.95 31.58 3f8m s ARG 220 CO 0.01 0.08 -0.01 0.50 -0.81 0.00 0.00 175.30 175.08 3f8m s ARG 221 N 0.52 3.73 -0.11 5.12 3.52 -0.16 0.07 118.95 131.65 3f8m s ARG 221 Ca -0.14 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 54.99 3f8m s ARG 221 Cb -0.16 -3.02 0.02 0.00 -1.56 0.00 0.00 34.95 30.23 3f8m s ARG 221 CO 0.05 0.19 -0.12 -1.12 -0.81 0.00 0.00 175.30 173.49 3f8m s SER 222 N 0.52 2.24 -0.30 -2.12 0.01 -0.25 -0.31 113.70 113.51 3f8m s SER 222 Ca -0.01 -0.37 -0.04 0.00 1.31 0.00 0.00 55.95 56.83 3f8m s SER 222 Cb -0.14 -0.97 0.03 0.00 0.21 0.00 0.00 66.02 65.15 3f8m s SER 222 CO 0.02 -0.03 0.04 -0.22 0.41 0.00 0.00 173.24 173.46 3f8m s LEU 223 N 1.19 3.81 -0.01 2.44 2.96 0.60 -1.29 118.68 128.38 3f8m s LEU 223 Ca -0.03 -0.96 0.05 0.00 -0.22 0.00 0.00 54.13 52.97 3f8m s LEU 223 Cb -0.14 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3f8m s LEU 223 CO -0.04 -0.22 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.31 3f8m s TYR 224 N 1.39 2.64 0.06 5.38 2.02 -0.12 -0.45 117.35 128.28 3f8m s TYR 224 Ca -0.01 -0.20 -0.31 0.00 -0.37 0.00 0.00 57.07 56.19 3f8m s TYR 224 Cb -0.18 -1.56 -0.07 0.00 -0.40 0.00 0.00 41.96 39.74 3f8m s TYR 224 CO 0.00 0.21 1.47 1.03 -1.57 0.00 0.00 175.55 176.69 3f8m s ARG 225 N -1.02 4.27 0.46 -0.62 0.52 0.01 -0.58 118.95 121.98 3f8m s ARG 225 Ca 0.13 2.11 0.13 0.00 -0.52 0.00 0.00 55.73 57.58 3f8m s ARG 225 Cb -0.11 -3.46 1.07 0.00 0.52 0.00 0.00 34.95 32.97 3f8m s ARG 225 CO 0.03 -0.58 2.07 0.78 0.02 0.00 0.00 175.30 177.61 3f8m h GLY 226 N 7.87 0.35 1.38 -3.53 0.00 -1.12 -1.49 103.07 106.53 3f8m h GLY 226 Ca -0.41 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.80 3f8m h GLY 226 CO 0.90 0.10 0.00 2.09 0.00 0.00 0.00 176.54 179.63 3f8m n ASP 227 N -4.49 0.00 0.00 0.19 5.68 -1.26 -3.19 116.55 113.48 3f8m n ASP 227 Ca 0.03 -0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.03 3f8m n ASP 227 Cb 0.18 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3f8m n ASP 227 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3f8m n ARG 228 N -1.19 0.13 -3.81 0.11 1.74 -0.58 -4.69 116.66 108.37 3f8m n ARG 228 Ca 0.14 -0.66 -0.13 0.00 -0.77 0.00 0.00 57.85 56.43 3f8m n ARG 228 Cb 0.15 -0.90 -0.13 0.00 -1.02 0.00 0.00 32.46 30.56 3f8m n ARG 228 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3f8m s MET 229 N -0.23 0.14 -0.03 5.56 0.00 -1.13 -1.85 119.30 121.76 3f8m s MET 229 Ca 0.00 0.21 0.05 0.00 0.00 0.00 0.00 55.69 55.95 3f8m s MET 229 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 34.83 34.85 3f8m s MET 229 CO 0.00 -0.05 -0.18 0.99 0.00 0.00 0.00 175.02 175.78 3f8m s THR 230 N 0.28 1.47 -0.08 10.11 2.01 0.13 -4.81 115.64 124.75 3f8m s THR 230 Ca -0.02 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 3f8m s THR 230 Cb -0.03 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 3f8m s THR 230 CO -0.01 0.42 0.08 -0.36 -0.69 0.00 0.00 174.62 174.06 3f8m s PHE 231 N -0.15 3.38 0.07 4.92 0.08 -1.26 -0.63 117.98 124.39 3f8m s PHE 231 Ca 0.00 0.33 0.08 0.00 0.12 0.00 0.00 56.93 57.47 3f8m s PHE 231 Cb -0.10 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 3f8m s PHE 231 CO 0.01 0.60 -0.23 0.95 -0.10 0.00 0.00 175.22 176.45 3f8m s THR 232 N -1.03 1.85 -0.13 0.64 -4.23 -0.83 -4.91 115.64 107.00 3f8m s THR 232 Ca 0.17 -1.40 -0.05 0.00 -1.18 0.00 0.00 61.69 59.22 3f8m s THR 232 Cb -0.12 -1.62 0.06 0.00 1.34 0.00 0.00 72.50 72.16 3f8m s THR 232 CO 0.06 0.15 0.26 0.00 -0.54 0.00 0.00 174.62 174.55 3f8m s ALA 233 N -0.93 -0.55 -0.22 3.99 0.00 -1.26 -0.49 121.76 122.29 3f8m s ALA 233 Ca 0.09 0.93 -0.06 0.00 0.00 0.00 0.00 51.96 52.92 3f8m s ALA 233 Cb -0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 3f8m s ALA 233 CO 0.03 -0.62 0.04 0.08 0.00 0.00 0.00 175.76 175.29 3f8m s VAL 234 N 2.37 4.26 0.02 0.00 1.01 -1.26 -5.06 120.40 121.73 3f8m s VAL 234 Ca 0.01 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3f8m s VAL 234 Cb -0.12 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3f8m s VAL 234 CO -0.08 0.39 -0.23 -0.04 0.00 0.00 0.00 175.10 175.13 3f8m s MET 235 N 1.17 1.99 0.07 2.72 1.00 -1.26 -5.11 119.30 119.88 3f8m s MET 235 Ca 0.04 -1.01 0.09 0.00 0.00 0.00 0.00 55.69 54.81 3f8m s MET 235 Cb -0.14 -2.07 -0.03 0.00 0.00 0.00 0.00 34.83 32.58 3f8m s MET 235 CO 0.03 0.54 -0.21 -1.01 0.00 0.00 0.00 175.02 174.36 3f8m s HIS 236 N -0.78 2.46 0.04 -0.03 3.76 -1.26 -5.06 115.29 114.42 3f8m s HIS 236 Ca 0.12 -0.31 -0.18 0.00 -0.15 0.00 0.00 55.06 54.54 3f8m s HIS 236 Cb -0.10 -1.39 -0.18 0.00 1.11 0.00 0.00 32.58 32.02 3f8m s HIS 236 CO 0.02 0.27 1.22 0.00 -0.85 0.00 0.00 174.74 175.40 3f8m h ALA 237 N 4.30 0.19 -0.65 -1.40 0.00 -2.08 -3.32 119.26 116.29 3f8m h ALA 237 Ca -0.48 -0.49 0.08 0.00 0.00 0.00 0.00 54.91 54.01 3f8m h ALA 237 Cb 1.16 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3f8m h ALA 237 CO 0.45 0.35 0.43 1.57 0.00 0.00 0.00 179.25 182.05 3f8m h LYS 238 N 0.07 0.57 0.00 0.00 5.09 -2.07 -3.58 116.57 116.65 3f8m h LYS 238 Ca -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.68 3f8m h LYS 238 Cb 1.11 -0.13 0.00 0.00 0.10 0.00 0.00 32.23 33.31 3f8m h LYS 238 CO 0.10 0.38 0.00 0.27 -2.09 0.00 0.00 179.45 178.11