#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zua n HIS 4 N 0.00 1.15 -1.61 4.31 8.25 -1.26 -3.78 115.22 122.28 2zua n HIS 4 Ca 0.00 -0.58 -0.48 0.00 -0.26 0.00 0.00 57.72 56.40 2zua n HIS 4 Cb 0.00 -0.15 -0.04 0.00 1.12 0.00 0.00 29.99 30.93 2zua n HIS 4 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2zua n GLU 5 N 1.07 1.46 -4.30 -0.41 2.13 -1.25 -4.68 120.64 114.65 2zua n GLU 5 Ca 0.23 0.52 -0.23 0.00 0.66 0.00 0.00 57.16 58.34 2zua n GLU 5 Cb 0.74 -2.09 -0.07 0.00 0.27 0.00 0.00 31.44 30.28 2zua n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2zua s ARG 6 N -0.21 2.26 0.00 5.31 0.52 -1.26 -0.63 118.95 124.95 2zua s ARG 6 Ca 0.73 -1.43 -0.07 0.00 -0.52 0.00 0.00 55.73 54.44 2zua s ARG 6 Cb -0.80 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 32.53 2zua s ARG 6 CO 0.50 0.37 0.14 -0.08 0.02 0.00 0.00 175.30 176.24 2zua s THR 7 N -2.32 0.08 -0.12 0.02 -1.32 -0.34 -4.63 115.64 107.02 2zua s THR 7 Ca 0.31 -0.70 -0.18 0.00 -1.21 0.00 0.00 61.69 59.91 2zua s THR 7 Cb -0.06 -0.45 -0.04 0.00 -1.51 0.00 0.00 72.50 70.44 2zua s THR 7 CO 0.20 -0.38 0.46 0.12 -2.21 0.00 0.00 174.62 172.80 2zua s PHE 8 N -1.42 3.51 0.00 9.09 5.36 -1.26 -1.52 117.98 131.74 2zua s PHE 8 Ca -0.15 0.87 0.02 0.00 -0.96 0.00 0.00 56.93 56.72 2zua s PHE 8 Cb -0.07 -2.54 -0.01 0.00 -0.34 0.00 0.00 43.02 40.06 2zua s PHE 8 CO 0.02 0.17 -0.08 0.08 -1.46 0.00 0.00 175.22 173.95 2zua s VAL 9 N 0.61 0.61 -0.06 3.12 1.01 -0.54 -1.82 120.40 123.33 2zua s VAL 9 Ca 0.25 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 2zua s VAL 9 Cb -0.15 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.72 2zua s VAL 9 CO 0.10 0.11 0.18 0.00 0.00 0.00 0.00 175.10 175.49 2zua s MET 10 N -0.34 0.26 -0.49 2.72 0.23 0.92 0.92 119.30 123.52 2zua s MET 10 Ca 0.02 0.16 -0.26 0.00 -1.03 0.00 0.00 55.69 54.57 2zua s MET 10 Cb -0.04 0.12 0.03 0.00 -1.53 0.00 0.00 34.83 33.42 2zua s MET 10 CO -0.00 -0.04 1.01 0.08 -2.03 0.00 0.00 175.02 174.04 2zua s VAL 11 N -0.13 4.34 1.18 5.16 1.01 -0.68 0.41 120.40 131.68 2zua s VAL 11 Ca -0.02 0.82 -0.13 0.00 0.00 0.00 0.00 61.98 62.65 2zua s VAL 11 Cb -0.02 -4.53 0.29 0.00 0.00 0.00 0.00 36.38 32.12 2zua s VAL 11 CO 0.01 -0.98 1.02 -0.54 0.00 0.00 0.00 175.10 174.61 2zua s LYS 12 N 4.10 -1.06 0.60 2.72 1.02 -0.39 -2.18 119.74 124.55 2zua s LYS 12 Ca 0.40 0.89 0.37 0.00 0.02 0.00 0.00 55.97 57.64 2zua s LYS 12 Cb -0.09 -1.53 1.90 0.00 -0.52 0.00 0.00 37.83 37.58 2zua s LYS 12 CO 0.27 -3.83 2.20 -1.35 -0.92 0.00 0.00 175.35 171.72 2zua h PRO 13 N -2.70 0.00 -0.09 -1.68 0.11 -1.82 0.37 132.00 126.18 2zua h PRO 13 Ca -0.62 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.32 2zua h PRO 13 Cb 1.33 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.45 2zua h PRO 13 CO 0.49 0.03 -0.60 0.38 -0.21 0.00 0.00 178.00 178.10 2zua h ASP 14 N 0.00 0.69 -0.34 -2.05 2.03 -1.88 -1.57 116.42 113.30 2zua h ASP 14 Ca -0.00 -0.66 -0.07 0.00 -0.73 0.00 0.00 57.03 55.57 2zua h ASP 14 Cb 0.20 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 2zua h ASP 14 CO 0.00 1.24 -0.00 1.23 -1.03 0.00 0.00 179.24 180.68 2zua h GLY 15 N 0.18 0.75 0.96 7.15 0.00 -1.50 -2.39 103.07 108.23 2zua h GLY 15 Ca -0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 2zua h GLY 15 CO 0.12 0.45 0.09 -2.08 0.00 0.00 0.00 176.54 175.12 2zua h VAL 16 N 0.66 1.24 -0.62 4.60 2.07 -0.92 -2.87 116.25 120.42 2zua h VAL 16 Ca 0.13 -0.86 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 2zua h VAL 16 Cb 0.41 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2zua h VAL 16 CO 0.02 0.30 0.05 1.56 0.02 0.00 0.00 177.57 179.52 2zua h GLN 17 N 0.61 1.04 -0.01 1.57 1.08 -1.07 -3.20 115.11 115.14 2zua h GLN 17 Ca 0.14 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2zua h GLN 17 Cb 0.36 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2zua h GLN 17 CO 0.01 0.99 0.00 0.54 -0.95 0.00 0.00 178.83 179.42 2zua n ARG 18 N -4.20 1.18 -1.85 1.46 1.74 -0.92 -4.91 116.66 109.17 2zua n ARG 18 Ca 0.04 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 2zua n ARG 18 Cb 0.32 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 2zua n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zua n GLY 19 N 1.01 0.80 0.34 -0.13 0.00 -1.21 -5.02 105.19 100.98 2zua n GLY 19 Ca 0.21 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.77 2zua n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2zua n LEU 20 N -0.53 2.31 0.00 0.99 4.77 -1.09 -4.70 117.00 118.77 2zua n LEU 20 Ca 0.00 -1.78 -0.12 0.00 -0.03 0.00 0.00 56.01 54.08 2zua n LEU 20 Cb 0.40 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 2zua n LEU 20 CO 0.00 0.56 0.77 0.40 -1.33 0.00 0.00 177.39 177.79 2zua h ILE 21 N 1.18 1.19 -0.47 -0.08 2.04 -1.90 -1.69 117.51 117.77 2zua h ILE 21 Ca 0.00 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.35 2zua h ILE 21 Cb 0.55 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 2zua h ILE 21 CO 0.00 0.15 0.22 1.23 0.00 0.00 0.00 178.15 179.75 2zua h GLY 22 N -0.17 0.65 1.12 5.37 0.00 -1.98 0.33 103.07 108.38 2zua h GLY 22 Ca 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2zua h GLY 22 CO 0.00 0.09 0.47 -0.55 0.00 0.00 0.00 176.54 176.55 2zua h ASP 23 N 0.44 1.03 -0.06 0.19 3.32 -1.83 -0.67 116.42 118.85 2zua h ASP 23 Ca 0.21 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 2zua h ASP 23 Cb 0.14 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.43 2zua h ASP 23 CO -0.16 0.82 -0.49 0.40 -1.72 0.00 0.00 179.24 178.08 2zua h ILE 24 N 1.17 1.41 -0.71 0.35 2.04 -0.85 -2.52 117.51 118.39 2zua h ILE 24 Ca 0.30 -1.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 2zua h ILE 24 Cb 0.00 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 2zua h ILE 24 CO -0.05 0.56 0.31 0.58 0.00 0.00 0.00 178.15 179.54 2zua h VAL 25 N -0.04 1.24 -0.25 1.67 2.07 -0.86 -2.57 116.25 117.51 2zua h VAL 25 Ca -0.05 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.80 2zua h VAL 25 Cb 1.17 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 2zua h VAL 25 CO 0.10 0.30 -0.15 0.28 0.02 0.00 0.00 177.57 178.12 2zua h SER 26 N 1.01 -0.48 -0.82 0.57 0.02 -1.11 0.10 113.55 112.83 2zua h SER 26 Ca 0.24 0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.39 2zua h SER 26 Cb 0.18 0.26 -0.07 0.00 0.14 0.00 0.00 62.40 62.90 2zua h SER 26 CO -0.02 -0.18 0.48 0.03 -1.14 0.00 0.00 176.83 175.99 2zua h ARG 27 N -0.12 0.78 -0.05 3.45 3.08 -1.06 0.71 114.38 121.16 2zua h ARG 27 Ca 0.14 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2zua h ARG 27 Cb 0.33 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 2zua h ARG 27 CO -0.33 0.52 -0.03 0.74 -1.07 0.00 0.00 179.97 179.80 2zua h PHE 28 N 0.81 0.13 -0.39 3.04 0.05 -1.15 -1.90 116.94 117.53 2zua h PHE 28 Ca 0.39 -0.03 -0.07 0.00 3.82 0.00 0.00 57.97 62.07 2zua h PHE 28 Cb 0.34 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.25 2zua h PHE 28 CO -0.06 0.51 -0.05 1.05 -0.18 0.00 0.00 178.31 179.58 2zua h GLU 29 N -0.28 0.72 -1.10 1.51 4.11 -0.29 -1.53 114.58 117.71 2zua h GLU 29 Ca 0.01 -0.25 0.31 0.00 0.07 0.00 0.00 59.36 59.49 2zua h GLU 29 Cb 0.48 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.58 2zua h GLU 29 CO 0.01 0.84 0.72 -0.44 0.07 0.00 0.00 179.01 180.20 2zua h ASP 30 N 0.53 0.38 1.16 3.06 5.19 0.38 -0.38 116.42 126.74 2zua h ASP 30 Ca 0.10 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 2zua h ASP 30 Cb 0.55 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2zua h ASP 30 CO 0.03 0.02 0.00 -0.09 -3.12 0.00 0.00 179.24 176.08 2zua h ARG 31 N 0.31 0.00 0.00 3.56 9.65 -0.44 -3.46 114.38 123.99 2zua h ARG 31 Ca 0.64 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.52 2zua h ARG 31 Cb 1.77 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.35 2zua h ARG 31 CO -0.31 0.00 0.00 0.41 2.80 0.00 0.00 179.97 182.87 2zua n GLY 32 N 0.31 0.69 3.77 2.80 0.00 -0.15 -5.07 105.19 107.53 2zua n GLY 32 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2zua n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2zua s LEU 33 N 0.00 4.41 -0.22 0.99 1.43 -0.89 -4.94 118.68 119.47 2zua s LEU 33 Ca 0.00 2.39 -0.06 0.00 -1.03 0.00 0.00 54.13 55.43 2zua s LEU 33 Cb 0.00 -3.75 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 2zua s LEU 33 CO 0.00 -0.39 0.03 -0.75 0.23 0.00 0.00 176.35 175.47 2zua s LYS 34 N -1.79 3.66 0.08 1.70 2.20 -0.81 -4.25 119.74 120.52 2zua s LYS 34 Ca 0.49 -0.49 -0.27 0.00 -0.36 0.00 0.00 55.97 55.34 2zua s LYS 34 Cb -0.33 -3.18 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 2zua s LYS 34 CO 0.43 -0.04 0.85 0.00 -0.36 0.00 0.00 175.35 176.23 2zua s MET 35 N 1.17 4.59 0.00 4.03 0.23 -1.26 0.10 119.30 128.15 2zua s MET 35 Ca 0.03 1.23 0.00 0.00 -1.03 0.00 0.00 55.69 55.93 2zua s MET 35 Cb -0.14 -3.36 0.00 0.00 -1.53 0.00 0.00 34.83 29.79 2zua s MET 35 CO 0.02 0.27 0.00 1.33 -2.03 0.00 0.00 175.02 174.61 2zua n VAL 36 N 2.72 0.00 -4.09 5.16 0.24 0.59 -4.95 118.33 118.01 2zua n VAL 36 Ca -0.01 -0.20 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 2zua n VAL 36 Cb 0.50 1.00 -0.12 0.00 -1.47 0.00 0.00 33.84 33.75 2zua n VAL 36 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2zua s GLY 37 N -0.41 0.50 -0.30 7.63 0.00 -1.10 -1.11 107.32 112.53 2zua s GLY 37 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 44.72 43.89 2zua s GLY 37 CO 0.00 -0.74 1.07 -0.32 0.00 0.00 0.00 173.10 173.11 2zua s GLY 38 N -1.38 -0.70 -0.03 0.20 0.00 -1.25 -1.23 107.32 102.93 2zua s GLY 38 Ca -0.08 2.39 0.01 0.00 0.00 0.00 0.00 44.72 47.04 2zua s GLY 38 CO 0.00 4.03 -0.04 -1.59 0.00 0.00 0.00 173.10 175.50 2zua s LYS 39 N 2.96 0.55 -0.12 2.90 -2.85 -0.34 -5.00 119.74 117.85 2zua s LYS 39 Ca 0.17 -0.09 -0.24 0.00 -1.00 0.00 0.00 55.97 54.82 2zua s LYS 39 Cb -0.04 -0.60 -0.03 0.00 -2.06 0.00 0.00 37.83 35.10 2zua s LYS 39 CO -0.18 -0.03 0.73 0.12 0.10 0.00 0.00 175.35 176.09 2zua s PHE 40 N 0.58 3.50 0.17 1.78 5.36 -1.26 -1.35 117.98 126.75 2zua s PHE 40 Ca -0.07 1.20 -0.18 0.00 -0.96 0.00 0.00 56.93 56.93 2zua s PHE 40 Cb -0.10 -2.87 0.03 0.00 -0.34 0.00 0.00 43.02 39.75 2zua s PHE 40 CO -0.00 -0.05 0.50 0.00 -1.46 0.00 0.00 175.22 174.20 2zua s MET 41 N 1.38 1.29 -0.30 10.12 0.23 -0.76 -5.01 119.30 126.25 2zua s MET 41 Ca 0.36 -0.78 -0.11 0.00 -1.03 0.00 0.00 55.69 54.13 2zua s MET 41 Cb -0.17 0.52 -0.03 0.00 -1.53 0.00 0.00 34.83 33.61 2zua s MET 41 CO 0.15 -0.54 0.19 -1.14 -2.03 0.00 0.00 175.02 171.65 2zua s GLN 42 N -3.84 3.68 0.14 3.16 2.00 -1.26 -0.18 119.66 123.36 2zua s GLN 42 Ca 0.07 -0.50 -0.31 0.00 -2.00 0.00 0.00 55.36 52.61 2zua s GLN 42 Cb -0.00 -3.66 -0.09 0.00 0.80 0.00 0.00 33.01 30.05 2zua s GLN 42 CO -0.06 -0.31 1.52 0.42 -0.50 0.00 0.00 175.29 176.36 2zua s ILE 43 N 1.71 2.84 0.64 -2.34 -1.09 -1.26 -5.00 121.20 116.70 2zua s ILE 43 Ca 0.06 0.59 -0.12 0.00 -2.23 0.00 0.00 60.65 58.95 2zua s ILE 43 Cb -0.17 -3.38 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 2zua s ILE 43 CO 0.09 0.04 1.04 1.51 -1.23 0.00 0.00 174.94 176.40 2zua s ASP 44 N 1.19 5.80 0.17 3.58 1.47 -1.26 -4.74 116.67 122.88 2zua s ASP 44 Ca 0.69 1.58 -0.20 0.00 1.18 0.00 0.00 52.55 55.80 2zua s ASP 44 Cb -0.41 -2.49 0.10 0.00 -0.34 0.00 0.00 42.92 39.77 2zua s ASP 44 CO 0.31 -1.16 1.62 1.56 0.68 0.00 0.00 175.17 178.18 2zua h GLN 45 N -0.29 -0.15 -0.78 2.11 1.08 -1.97 -1.88 115.11 113.24 2zua h GLN 45 Ca -0.45 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 56.76 2zua h GLN 45 Cb 1.20 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.63 2zua h GLN 45 CO 0.59 -0.10 0.48 1.49 -0.95 0.00 0.00 178.83 180.35 2zua h GLU 46 N -0.15 1.04 -0.32 1.46 4.81 -2.00 -2.16 114.58 117.27 2zua h GLU 46 Ca 0.20 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2zua h GLU 46 Cb 0.46 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2zua h GLU 46 CO -0.51 0.72 0.05 1.25 -0.73 0.00 0.00 179.01 179.80 2zua h LEU 47 N 1.06 0.50 -0.42 1.64 5.85 -1.89 -2.61 115.31 119.44 2zua h LEU 47 Ca 0.28 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2zua h LEU 47 Cb -0.07 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 2zua h LEU 47 CO -0.06 0.63 0.04 0.00 -0.34 0.00 0.00 178.44 178.71 2zua h ALA 48 N 0.89 0.42 -0.88 1.25 0.00 -1.12 -0.42 119.26 119.39 2zua h ALA 48 Ca 0.10 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2zua h ALA 48 Cb 0.34 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 2zua h ALA 48 CO 0.01 -0.36 0.54 0.93 0.00 0.00 0.00 179.25 180.36 2zua h GLU 49 N 0.15 0.90 -0.05 0.00 4.39 -1.21 -2.63 114.58 116.14 2zua h GLU 49 Ca 0.21 -0.05 -0.24 0.00 0.34 0.00 0.00 59.36 59.61 2zua h GLU 49 Cb 0.28 -0.20 0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2zua h GLU 49 CO -0.31 0.60 -0.92 1.49 -1.16 0.00 0.00 179.01 178.70 2zua h GLU 50 N 0.93 0.71 -0.96 2.33 4.81 -1.00 -2.71 114.58 118.69 2zua h GLU 50 Ca 0.41 -0.70 0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2zua h GLU 50 Cb 0.29 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 2zua h GLU 50 CO -0.21 1.29 0.63 1.25 -0.73 0.00 0.00 179.01 181.24 2zua h HIS 51 N 0.40 1.20 -0.88 0.92 2.76 -0.78 0.70 115.15 119.47 2zua h HIS 51 Ca -0.10 0.03 -0.48 0.00 -2.20 0.00 0.00 60.37 57.62 2zua h HIS 51 Cb 1.57 -0.40 -0.27 0.00 1.55 0.00 0.00 27.41 29.86 2zua h HIS 51 CO 0.10 0.74 0.61 0.66 -1.30 0.00 0.00 177.93 178.74 2zua n TYR 52 N -4.43 2.72 -0.33 5.26 4.01 -1.02 -4.66 117.16 118.71 2zua n TYR 52 Ca 0.11 -1.84 0.18 0.00 -0.16 0.00 0.00 57.90 56.19 2zua n TYR 52 Cb 0.03 -0.93 0.39 0.00 -0.31 0.00 0.00 39.34 38.52 2zua n TYR 52 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2zua h GLY 53 N 1.47 1.85 2.00 2.72 0.00 -0.51 -0.50 103.07 110.10 2zua h GLY 53 Ca 0.56 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 2zua h GLY 53 CO 1.03 -0.31 -0.01 1.05 0.00 0.00 0.00 176.54 178.31 2zua h GLU 54 N 0.47 0.00 -0.44 4.80 9.09 -1.83 -2.53 114.58 124.15 2zua h GLU 54 Ca 0.65 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.06 2zua h GLU 54 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 2zua h GLU 54 CO -0.52 0.01 0.00 0.72 0.05 0.00 0.00 179.01 179.26 2zua n HIS 55 N -3.13 0.87 0.68 2.06 8.25 -0.20 -4.79 115.22 118.97 2zua n HIS 55 Ca -0.02 -0.61 0.07 0.00 -0.26 0.00 0.00 57.72 56.90 2zua n HIS 55 Cb 0.14 -0.14 0.36 0.00 1.12 0.00 0.00 29.99 31.47 2zua n HIS 55 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2zua n GLU 56 N 0.55 0.23 -0.53 -0.41 0.28 -0.95 -1.89 120.64 117.92 2zua n GLU 56 Ca 0.18 0.14 0.07 0.00 -0.16 0.00 0.00 57.16 57.39 2zua n GLU 56 Cb 0.66 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 32.22 2zua n GLU 56 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2zua n ASP 57 N -1.25 1.80 -4.52 -1.84 10.43 -1.26 -5.02 116.55 114.89 2zua n ASP 57 Ca 0.07 -3.71 -0.30 0.00 2.57 0.00 0.00 54.79 53.42 2zua n ASP 57 Cb 0.10 -0.50 -0.11 0.00 1.84 0.00 0.00 41.12 42.45 2zua n ASP 57 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2zua s LYS 58 N -3.08 2.07 0.50 -1.24 1.02 -0.79 -5.03 119.74 113.20 2zua s LYS 58 Ca 0.37 -1.01 0.28 0.00 0.02 0.00 0.00 55.97 55.62 2zua s LYS 58 Cb 0.35 -2.24 1.37 0.00 -0.52 0.00 0.00 37.83 36.79 2zua s LYS 58 CO -0.05 0.52 1.88 -1.00 -0.92 0.00 0.00 175.35 175.78 2zua h PRO 59 N 4.05 0.11 -0.01 -1.68 0.13 -1.97 -2.04 132.00 130.59 2zua h PRO 59 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2zua h PRO 59 Cb 1.16 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2zua h PRO 59 CO 0.49 0.07 -0.12 1.97 -0.23 0.00 0.00 178.00 180.19 2zua n PHE 60 N -4.35 0.00 -0.11 1.56 1.16 -1.26 -4.35 117.46 110.11 2zua n PHE 60 Ca 0.19 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.71 2zua n PHE 60 Cb 0.89 -0.04 0.02 0.00 -1.61 0.00 0.00 39.48 38.74 2zua n PHE 60 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 2zua h PHE 61 N 2.23 0.24 -0.36 2.97 3.57 -1.60 -2.01 116.94 121.98 2zua h PHE 61 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2zua h PHE 61 Cb 0.57 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2zua h PHE 61 CO 0.00 0.09 0.19 -0.44 -2.23 0.00 0.00 178.31 175.93 2zua h ASP 62 N 0.29 0.30 -0.62 0.41 3.45 -1.80 0.41 116.42 118.85 2zua h ASP 62 Ca 0.18 0.01 -0.08 0.00 0.43 0.00 0.00 57.03 57.56 2zua h ASP 62 Cb 0.16 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.86 2zua h ASP 62 CO -0.18 0.22 0.06 1.23 -1.57 0.00 0.00 179.24 178.99 2zua h GLY 63 N 0.40 1.13 0.74 2.75 0.00 -1.80 0.26 103.07 106.54 2zua h GLY 63 Ca 0.15 -0.79 0.03 0.00 0.00 0.00 0.00 47.33 46.72 2zua h GLY 63 CO -0.09 0.73 -0.01 -2.00 0.00 0.00 0.00 176.54 175.17 2zua h LEU 64 N 0.96 -0.08 -0.32 3.11 5.85 -1.18 -0.08 115.31 123.56 2zua h LEU 64 Ca 0.18 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2zua h LEU 64 Cb 0.49 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2zua h LEU 64 CO 0.02 -0.02 0.20 0.58 -0.34 0.00 0.00 178.44 178.88 2zua h VAL 65 N 0.04 1.05 0.05 1.05 2.07 -0.50 -2.76 116.25 117.25 2zua h VAL 65 Ca 0.07 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2zua h VAL 65 Cb 0.10 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2zua h VAL 65 CO -0.14 0.07 -0.24 0.44 0.02 0.00 0.00 177.57 177.73 2zua h ASP 66 N 0.40 -0.70 -0.34 0.57 3.45 -0.24 -3.00 116.42 116.56 2zua h ASP 66 Ca 0.12 0.09 0.03 0.00 0.43 0.00 0.00 57.03 57.71 2zua h ASP 66 Cb -0.02 0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.99 2zua h ASP 66 CO -0.05 -0.32 0.14 0.15 -1.57 0.00 0.00 179.24 177.59 2zua h PHE 67 N -0.41 0.24 0.00 4.55 3.57 -0.95 -1.55 116.94 122.40 2zua h PHE 67 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2zua h PHE 67 Cb 0.46 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2zua h PHE 67 CO -0.26 0.11 0.00 1.51 -2.23 0.00 0.00 178.31 177.45 2zua n ILE 68 N -5.00 0.19 0.28 1.41 0.13 -1.05 -1.65 119.36 113.68 2zua n ILE 68 Ca 0.01 0.05 0.04 0.00 -1.10 0.00 0.00 62.75 61.75 2zua n ILE 68 Cb 0.11 -0.72 -0.05 0.00 -0.84 0.00 0.00 39.64 38.13 2zua n ILE 68 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 2zua n THR 69 N -1.14 0.00 0.71 9.51 -1.04 -0.97 -4.53 114.28 116.82 2zua n THR 69 Ca 0.13 -0.27 0.12 0.00 -2.04 0.00 0.00 64.05 61.98 2zua n THR 69 Cb 0.11 0.81 0.48 0.00 -1.82 0.00 0.00 70.33 69.91 2zua n THR 69 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2zua n SER 70 N -1.36 0.35 -3.70 8.00 3.41 -0.62 -4.88 113.62 114.82 2zua n SER 70 Ca 0.01 0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 59.15 2zua n SER 70 Cb 0.16 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.46 2zua n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2zua s GLY 71 N -3.26 -0.29 0.65 5.00 0.00 -1.26 -5.10 107.32 103.06 2zua s GLY 71 Ca 0.10 0.32 -0.15 0.00 0.00 0.00 0.00 44.72 45.00 2zua s GLY 71 CO 0.48 0.12 1.09 2.56 0.00 0.00 0.00 173.10 177.35 2zua s PRO 72 N -2.94 2.91 0.42 2.90 0.04 -1.26 -4.64 135.00 132.43 2zua s PRO 72 Ca 0.13 1.31 0.05 0.00 0.04 0.00 0.00 61.00 62.53 2zua s PRO 72 Cb 0.01 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2zua s PRO 72 CO 0.00 -1.15 0.03 0.14 0.04 0.00 0.00 177.00 176.05 2zua s VAL 73 N -2.44 1.50 -0.33 -0.36 -7.23 0.75 -3.89 120.40 108.41 2zua s VAL 73 Ca 0.65 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 2zua s VAL 73 Cb -0.19 -2.68 0.10 0.00 0.56 0.00 0.00 36.38 34.17 2zua s VAL 73 CO 0.42 0.00 0.05 0.12 -0.31 0.00 0.00 175.10 175.38 2zua s PHE 74 N -2.91 3.35 0.15 2.82 5.36 -0.93 -1.83 117.98 124.00 2zua s PHE 74 Ca 0.26 -2.74 -0.30 0.00 -0.96 0.00 0.00 56.93 53.20 2zua s PHE 74 Cb 0.07 -2.66 -0.07 0.00 -0.34 0.00 0.00 43.02 40.02 2zua s PHE 74 CO 0.13 -0.93 0.95 0.00 -1.46 0.00 0.00 175.22 173.91 2zua s ALA 75 N 1.05 3.28 0.07 11.12 0.00 -0.46 -1.69 121.76 135.13 2zua s ALA 75 Ca 0.10 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.65 2zua s ALA 75 Cb -0.19 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2zua s ALA 75 CO -0.11 0.06 -0.06 -1.64 0.00 0.00 0.00 175.76 174.01 2zua s MET 76 N -0.41 0.67 -0.12 0.00 -1.94 0.26 -1.20 119.30 116.56 2zua s MET 76 Ca 0.45 -1.08 -0.00 0.00 -1.71 0.00 0.00 55.69 53.35 2zua s MET 76 Cb -0.24 -0.17 0.02 0.00 2.01 0.00 0.00 34.83 36.45 2zua s MET 76 CO 0.30 -0.01 -0.09 0.08 -0.01 0.00 0.00 175.02 175.29 2zua s VAL 77 N -2.74 1.16 -0.09 -6.03 1.01 -0.37 -1.47 120.40 111.87 2zua s VAL 77 Ca 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2zua s VAL 77 Cb -0.01 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 2zua s VAL 77 CO -0.03 0.39 -0.11 0.26 0.00 0.00 0.00 175.10 175.60 2zua s TRP 78 N 1.60 2.82 -0.12 5.22 0.52 -0.57 -0.30 118.94 128.11 2zua s TRP 78 Ca 0.04 -0.32 -0.00 0.00 0.02 0.00 0.00 56.10 55.84 2zua s TRP 78 Cb -0.13 -1.76 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 2zua s TRP 78 CO -0.08 0.04 -0.11 -2.00 0.02 0.00 0.00 176.95 174.82 2zua s GLU 79 N -0.23 3.30 0.00 4.98 2.12 0.11 -1.20 118.70 127.78 2zua s GLU 79 Ca 0.02 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.71 2zua s GLU 79 Cb -0.13 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.60 2zua s GLU 79 CO 0.03 0.31 0.00 0.41 -0.54 0.00 0.00 175.26 175.46 2zua n GLY 80 N 3.28 0.75 3.70 -1.50 0.00 0.20 -1.92 105.19 109.68 2zua n GLY 80 Ca -0.18 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 2zua n GLY 80 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2zua s GLN 81 N -2.00 4.15 -1.42 1.61 0.74 -1.25 -1.68 119.66 119.82 2zua s GLN 81 Ca 0.00 2.54 -0.07 0.00 0.05 0.00 0.00 55.36 57.88 2zua s GLN 81 Cb 0.00 -3.48 0.04 0.00 1.10 0.00 0.00 33.01 30.66 2zua s GLN 81 CO 0.00 -0.80 0.57 -3.47 -0.55 0.00 0.00 175.29 171.04 2zua n ASP 82 N 5.29 -4.94 -0.31 6.67 2.03 -1.26 -4.87 116.55 119.16 2zua n ASP 82 Ca 0.17 -0.35 0.11 0.00 0.52 0.00 0.00 54.79 55.24 2zua n ASP 82 Cb 0.38 -4.02 0.33 0.00 -0.72 0.00 0.00 41.12 37.09 2zua n ASP 82 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2zua h ALA 83 N 0.99 1.72 -0.08 -1.67 0.00 -1.58 0.10 119.26 118.74 2zua h ALA 83 Ca -0.48 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 2zua h ALA 83 Cb 1.33 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.99 2zua h ALA 83 CO 0.55 0.00 -0.42 1.15 0.00 0.00 0.00 179.25 180.53 2zua h THR 84 N 0.79 1.40 -0.01 0.00 2.02 -1.86 -1.57 112.91 113.68 2zua h THR 84 Ca 0.49 -1.80 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 2zua h THR 84 Cb 0.71 2.28 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2zua h THR 84 CO -0.26 0.53 -0.00 -0.09 0.37 0.00 0.00 175.52 176.07 2zua h ARG 85 N -0.02 0.02 -0.72 6.66 2.43 -1.82 -2.25 114.38 118.67 2zua h ARG 85 Ca -0.03 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2zua h ARG 85 Cb 1.08 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.57 2zua h ARG 85 CO 0.09 0.33 0.41 1.96 -1.51 0.00 0.00 179.97 181.25 2zua h GLN 86 N -0.29 0.73 -0.59 0.20 1.08 -0.97 0.74 115.11 116.00 2zua h GLN 86 Ca 0.00 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 2zua h GLN 86 Cb 0.32 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 2zua h GLN 86 CO 0.00 0.48 0.19 0.28 -0.95 0.00 0.00 178.83 178.83 2zua h VAL 87 N 0.75 1.24 -0.15 -0.54 2.07 -1.31 -0.61 116.25 117.71 2zua h VAL 87 Ca 0.32 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2zua h VAL 87 Cb 0.20 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2zua h VAL 87 CO -0.19 0.31 0.06 -0.09 0.02 0.00 0.00 177.57 177.68 2zua h ARG 88 N 0.84 0.22 -0.96 1.57 9.65 -0.55 -0.38 114.38 124.77 2zua h ARG 88 Ca 0.19 -0.04 0.18 0.00 -1.10 0.00 0.00 59.98 59.21 2zua h ARG 88 Cb 0.28 -0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 28.72 2zua h ARG 88 CO -0.01 0.29 0.56 1.15 2.80 0.00 0.00 179.97 184.77 2zua h THR 89 N 0.09 0.71 -0.24 0.20 2.02 -0.85 -2.93 112.91 111.91 2zua h THR 89 Ca 0.05 -0.25 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 2zua h THR 89 Cb 0.15 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 2zua h THR 89 CO -0.00 0.13 -0.33 0.24 0.37 0.00 0.00 175.52 175.93 2zua h MET 90 N 0.73 0.51 0.00 6.66 2.86 0.51 -2.96 114.93 123.25 2zua h MET 90 Ca 0.55 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.87 2zua h MET 90 Cb 0.82 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 2zua h MET 90 CO -0.38 0.78 -0.45 0.52 1.06 0.00 0.00 176.91 178.44 2zua h MET 91 N 0.44 0.00 0.00 1.72 2.07 -1.08 -1.89 114.93 116.19 2zua h MET 91 Ca 0.05 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 2zua h MET 91 Cb 0.78 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.51 2zua h MET 91 CO 0.06 0.45 0.00 0.41 1.07 0.00 0.00 176.91 178.90 2zua n GLY 92 N 0.88 -1.85 3.79 8.32 0.00 -1.12 -1.64 105.19 113.57 2zua n GLY 92 Ca 0.01 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 2zua n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2zua s GLU 93 N 0.00 4.33 0.23 1.61 2.56 -1.26 -4.77 118.70 121.40 2zua s GLU 93 Ca 0.00 1.38 -0.09 0.00 0.00 0.00 0.00 54.97 56.26 2zua s GLU 93 Cb 0.00 -2.58 0.35 0.00 2.00 0.00 0.00 34.13 33.90 2zua s GLU 93 CO 0.00 0.03 1.35 2.41 -0.56 0.00 0.00 175.26 178.49 2zua n THR 94 N 0.08 -0.39 -2.76 -1.70 -1.04 -1.26 -3.98 114.28 103.23 2zua n THR 94 Ca 0.04 2.00 -0.42 0.00 -2.04 0.00 0.00 64.05 63.62 2zua n THR 94 Cb 0.50 -2.73 -0.03 0.00 -1.82 0.00 0.00 70.33 66.25 2zua n THR 94 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2zua s ASP 95 N -5.25 7.02 0.42 8.00 -1.08 -1.26 -4.87 116.67 119.65 2zua s ASP 95 Ca -0.13 1.27 0.09 0.00 -0.52 0.00 0.00 52.55 53.26 2zua s ASP 95 Cb 0.22 -2.50 0.91 0.00 -1.46 0.00 0.00 42.92 40.09 2zua s ASP 95 CO 0.66 -0.56 2.04 -0.65 0.52 0.00 0.00 175.17 177.18 2zua h PRO 96 N 7.46 0.50 0.00 4.34 0.11 -1.82 -1.04 132.00 141.55 2zua h PRO 96 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2zua h PRO 96 Cb 1.09 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2zua h PRO 96 CO 0.92 0.33 0.00 0.00 -0.21 0.00 0.00 178.00 179.03 2zua n ALA 97 N -2.49 2.32 -0.23 -0.75 0.00 -1.26 -2.52 120.51 115.58 2zua n ALA 97 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2zua n ALA 97 Cb 0.15 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2zua n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2zua n GLU 98 N -1.02 1.33 -3.67 0.00 -0.58 -0.42 -5.06 120.64 111.23 2zua n GLU 98 Ca 0.16 -0.99 -0.37 0.00 -0.42 0.00 0.00 57.16 55.55 2zua n GLU 98 Cb 0.08 -0.88 -0.06 0.00 -0.57 0.00 0.00 31.44 30.01 2zua n GLU 98 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2zua s SER 99 N -0.52 6.62 0.52 1.62 0.01 -1.05 -4.72 113.70 116.18 2zua s SER 99 Ca 0.00 0.73 -0.20 0.00 1.31 0.00 0.00 55.95 57.80 2zua s SER 99 Cb 0.00 -2.16 -0.07 0.00 0.21 0.00 0.00 66.02 64.00 2zua s SER 99 CO 0.00 0.34 1.09 0.00 0.41 0.00 0.00 173.24 175.08 2zua s ALA 100 N -1.10 2.76 0.53 1.44 0.00 -1.26 -4.47 121.76 119.66 2zua s ALA 100 Ca 0.22 0.73 -0.22 0.00 0.00 0.00 0.00 51.96 52.68 2zua s ALA 100 Cb -0.14 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 2zua s ALA 100 CO 0.11 -0.60 1.34 -2.14 0.00 0.00 0.00 175.76 174.46 2zua s PRO 101 N -3.29 3.25 0.00 0.00 0.02 -1.26 -2.75 135.00 130.97 2zua s PRO 101 Ca 0.70 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.91 2zua s PRO 101 Cb -0.21 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 32.01 2zua s PRO 101 CO 0.25 -1.08 0.00 0.41 -0.33 0.00 0.00 177.00 176.24 2zua n GLY 102 N 0.68 2.64 3.82 0.52 0.00 -1.26 -4.99 105.19 106.60 2zua n GLY 102 Ca 0.10 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 2zua n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2zua s THR 103 N -1.19 3.35 0.07 2.61 -4.23 -1.11 -4.93 115.64 110.21 2zua s THR 103 Ca 0.00 0.44 -0.17 0.00 -1.18 0.00 0.00 61.69 60.77 2zua s THR 103 Cb 0.00 -3.22 -0.11 0.00 1.34 0.00 0.00 72.50 70.50 2zua s THR 103 CO 0.00 -0.57 1.38 0.40 -0.54 0.00 0.00 174.62 175.29 2zua h ILE 104 N -0.94 1.32 -0.13 2.99 2.04 -1.30 -2.22 117.51 119.27 2zua h ILE 104 Ca -0.46 -1.39 -0.20 0.00 1.00 0.00 0.00 64.86 63.81 2zua h ILE 104 Cb 1.25 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2zua h ILE 104 CO 0.59 0.43 -0.74 0.03 0.00 0.00 0.00 178.15 178.46 2zua h ARG 105 N 0.22 0.64 0.00 2.37 3.08 -1.59 -1.26 114.38 117.84 2zua h ARG 105 Ca 0.03 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2zua h ARG 105 Cb 0.77 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.93 2zua h ARG 105 CO 0.05 1.13 0.00 0.78 -1.07 0.00 0.00 179.97 180.87 2zua h GLY 106 N 0.87 0.00 0.00 0.04 0.00 -1.72 0.33 103.07 102.59 2zua h GLY 106 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.08 2zua h GLY 106 CO 0.14 0.00 -2.21 1.22 0.00 0.00 0.00 176.54 175.69 2zua n ASP 107 N -3.06 0.03 0.00 0.19 8.00 -0.84 -4.48 116.55 116.40 2zua n ASP 107 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2zua n ASP 107 Cb 0.23 1.43 0.00 0.00 -0.02 0.00 0.00 41.12 42.75 2zua n ASP 107 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2zua n TYR 108 N -2.53 0.00 -4.38 1.24 4.01 -0.49 -5.08 117.16 109.93 2zua n TYR 108 Ca -0.20 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.30 2zua n TYR 108 Cb 0.90 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.84 2zua n TYR 108 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2zua s GLY 109 N -2.16 1.77 0.00 2.72 0.00 0.10 -5.03 107.32 104.72 2zua s GLY 109 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2zua s GLY 109 CO 0.00 -1.82 0.00 1.04 0.00 0.00 0.00 173.10 172.32 2zua n LEU 110 N -0.67 0.00 -4.15 0.66 4.32 -1.26 -4.66 117.00 111.23 2zua n LEU 110 Ca -0.06 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.67 2zua n LEU 110 Cb 0.59 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.23 2zua n LEU 110 CO 0.39 0.00 -0.51 -0.62 -1.22 0.00 0.00 177.39 175.43 2zua s ASP 111 N -2.41 2.21 0.28 -1.43 2.15 -1.26 -4.19 116.67 112.00 2zua s ASP 111 Ca 0.00 -0.36 -0.02 0.00 0.43 0.00 0.00 52.55 52.60 2zua s ASP 111 Cb 0.00 -0.52 0.59 0.00 -0.30 0.00 0.00 42.92 42.70 2zua s ASP 111 CO 0.00 0.18 1.61 0.25 -0.17 0.00 0.00 175.17 177.04 2zua h LEU 112 N 6.09 -0.34 -0.71 -1.34 5.85 -1.94 -0.53 115.31 122.39 2zua h LEU 112 Ca -0.34 0.23 -0.14 0.00 0.84 0.00 0.00 57.88 58.47 2zua h LEU 112 Cb 1.17 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 2zua h LEU 112 CO 0.48 -0.24 -0.60 1.23 -0.34 0.00 0.00 178.44 178.97 2zua h GLY 113 N 0.09 0.16 -6.40 3.75 0.00 -1.96 -3.32 103.07 95.39 2zua h GLY 113 Ca 0.50 -0.20 -0.74 0.00 0.00 0.00 0.00 47.33 46.89 2zua h GLY 113 CO -0.76 0.18 0.40 0.54 0.00 0.00 0.00 176.54 176.90 2zua n ARG 114 N -3.85 4.19 -0.64 4.80 5.12 -0.21 -4.81 116.66 121.27 2zua n ARG 114 Ca -0.02 -4.65 0.07 0.00 -1.93 0.00 0.00 57.85 51.32 2zua n ARG 114 Cb 0.61 -2.42 0.32 0.00 -1.16 0.00 0.00 32.46 29.81 2zua n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2zua n ASN 115 N 0.67 4.51 0.00 0.55 6.94 -1.21 -4.37 115.26 122.34 2zua n ASN 115 Ca 0.33 -2.58 0.00 0.00 -0.02 0.00 0.00 54.58 52.31 2zua n ASN 115 Cb 0.34 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 2zua n ASN 115 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2zua n VAL 116 N 0.71 0.00 -3.75 3.53 0.24 -1.26 -4.77 118.33 113.02 2zua n VAL 116 Ca 0.22 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.39 2zua n VAL 116 Cb 0.91 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.19 2zua n VAL 116 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 2zua s ILE 117 N -0.04 0.04 0.02 1.34 2.07 -1.26 -1.26 121.20 122.12 2zua s ILE 117 Ca 0.00 -0.35 0.08 0.00 -1.41 0.00 0.00 60.65 58.97 2zua s ILE 117 Cb 0.00 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.97 2zua s ILE 117 CO 0.00 -0.19 -0.24 -2.28 -1.91 0.00 0.00 174.94 170.32 2zua s HIS 118 N -0.96 2.08 -0.08 3.50 5.65 0.16 -4.86 115.29 120.79 2zua s HIS 118 Ca -0.10 -0.39 -0.07 0.00 0.25 0.00 0.00 55.06 54.74 2zua s HIS 118 Cb -0.04 -1.28 0.02 0.00 -1.18 0.00 0.00 32.58 30.10 2zua s HIS 118 CO 0.03 0.06 0.20 0.20 -0.65 0.00 0.00 174.74 174.59 2zua s GLY 119 N -0.96 -0.15 0.38 1.59 0.00 -1.26 -0.06 107.32 106.85 2zua s GLY 119 Ca 0.09 0.58 -0.27 0.00 0.00 0.00 0.00 44.72 45.13 2zua s GLY 119 CO 0.01 0.50 1.25 1.44 0.00 0.00 0.00 173.10 176.30 2zua n SER 120 N 2.98 2.51 -4.61 1.64 7.64 -0.75 -4.93 113.62 118.09 2zua n SER 120 Ca -0.13 1.15 -0.43 0.00 1.01 0.00 0.00 58.87 60.48 2zua n SER 120 Cb 0.59 -1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.28 2zua n SER 120 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2zua s ASP 121 N -0.44 6.71 0.54 6.43 -1.08 -1.26 -4.73 116.67 122.84 2zua s ASP 121 Ca 0.58 0.63 0.35 0.00 -0.52 0.00 0.00 52.55 53.59 2zua s ASP 121 Cb -0.55 -2.48 1.66 0.00 -1.46 0.00 0.00 42.92 40.09 2zua s ASP 121 CO 0.60 -0.90 2.06 1.12 0.52 0.00 0.00 175.17 178.57 2zua h HIS 122 N 8.50 0.00 -0.00 -5.34 2.07 -1.92 -2.40 115.15 116.06 2zua h HIS 122 Ca -0.23 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.29 2zua h HIS 122 Cb 1.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.05 2zua h HIS 122 CO 0.85 0.00 -0.36 0.39 -3.07 0.00 0.00 177.93 175.73 2zua n GLU 123 N -2.94 0.38 -3.31 5.12 1.02 -1.26 -4.37 120.64 115.27 2zua n GLU 123 Ca -0.01 -0.21 -0.45 0.00 -0.02 0.00 0.00 57.16 56.47 2zua n GLU 123 Cb 0.21 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 2zua n GLU 123 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2zua s ASP 124 N -2.77 7.18 -0.48 1.62 -1.08 -0.90 -5.03 116.67 115.21 2zua s ASP 124 Ca 0.18 -3.34 -0.45 0.00 -0.52 0.00 0.00 52.55 48.42 2zua s ASP 124 Cb 0.18 -2.22 -0.19 0.00 -1.46 0.00 0.00 42.92 39.23 2zua s ASP 124 CO 0.61 -0.39 1.58 1.21 0.52 0.00 0.00 175.17 178.71 2zua n GLU 125 N 3.20 0.00 -0.94 4.34 2.13 -1.26 0.29 120.64 128.40 2zua n GLU 125 Ca 0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.04 2zua n GLU 125 Cb 0.41 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 30.68 2zua n GLU 125 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2zua n GLY 126 N 4.14 0.92 0.28 8.31 0.00 -1.26 -4.90 105.19 112.67 2zua n GLY 126 Ca 0.32 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.39 2zua n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zua h ALA 127 N 0.00 1.79 0.98 4.61 0.00 -0.41 -0.36 119.26 125.87 2zua h ALA 127 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2zua h ALA 127 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2zua h ALA 127 CO 0.00 0.18 -0.47 -2.95 0.00 0.00 0.00 179.25 176.01 2zua h ASN 128 N 0.28 -1.11 -0.59 0.00 7.08 -1.82 -1.29 115.58 118.13 2zua h ASN 128 Ca 0.07 0.04 0.11 0.00 -3.08 0.00 0.00 56.30 53.44 2zua h ASN 128 Cb 0.03 0.29 -0.09 0.00 -2.08 0.00 0.00 38.32 36.47 2zua h ASN 128 CO -0.01 -0.79 0.12 -0.33 -2.08 0.00 0.00 177.43 174.33 2zua h GLU 129 N -1.32 0.24 -0.41 4.14 5.08 -1.82 0.09 114.58 120.57 2zua h GLU 129 Ca -0.13 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2zua h GLU 129 Cb 1.01 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.11 2zua h GLU 129 CO 0.22 0.16 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.09 2zua h ARG 130 N 0.25 -0.12 0.00 2.33 2.43 -1.03 -1.44 114.38 116.80 2zua h ARG 130 Ca 0.31 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.43 2zua h ARG 130 Cb 0.46 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2zua h ARG 130 CO -0.41 -0.08 -0.30 0.93 -1.51 0.00 0.00 179.97 178.60 2zua h GLU 131 N -0.13 0.00 0.49 0.20 5.08 -0.42 -2.01 114.58 117.79 2zua h GLU 131 Ca 0.20 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2zua h GLU 131 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2zua h GLU 131 CO -0.49 0.30 -0.23 0.82 -1.00 0.00 0.00 179.01 178.40 2zua h ILE 132 N 0.00 0.00 -0.97 3.13 1.08 -0.64 -2.98 117.51 117.13 2zua h ILE 132 Ca -0.00 -0.04 0.30 0.00 -0.39 0.00 0.00 64.86 64.73 2zua h ILE 132 Cb 1.12 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.69 2zua h ILE 132 CO 0.04 0.00 0.17 -0.33 -0.69 0.00 0.00 178.15 177.34 2zua h GLU 133 N -0.69 0.04 -0.70 2.37 5.08 -1.16 0.08 114.58 119.60 2zua h GLU 133 Ca -0.07 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2zua h GLU 133 Cb 0.50 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2zua h GLU 133 CO 0.11 0.03 0.21 1.25 -1.00 0.00 0.00 179.01 179.61 2zua h LEU 134 N 0.04 1.03 0.00 1.33 5.85 -1.35 -3.27 115.31 118.93 2zua h LEU 134 Ca 0.64 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 2zua h LEU 134 Cb 1.42 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2zua h LEU 134 CO -0.85 0.97 -1.93 0.49 -0.34 0.00 0.00 178.44 176.79 2zua n PHE 135 N -4.29 0.00 -4.46 1.25 3.01 -0.65 -5.00 117.46 107.32 2zua n PHE 135 Ca 0.05 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.30 2zua n PHE 135 Cb 0.23 -0.48 -0.14 0.00 -0.01 0.00 0.00 39.48 39.08 2zua n PHE 135 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2zua s PHE 136 N -3.31 1.25 0.35 1.38 0.08 -0.07 -5.11 117.98 112.55 2zua s PHE 136 Ca -0.07 -0.31 -0.08 0.00 0.12 0.00 0.00 56.93 56.58 2zua s PHE 136 Cb 0.12 -0.77 -0.06 0.00 -0.57 0.00 0.00 43.02 41.74 2zua s PHE 136 CO 0.82 0.02 0.68 -0.51 -0.10 0.00 0.00 175.22 176.12 2zua s ASP 137 N -0.85 6.51 0.49 1.36 1.01 -1.26 -4.36 116.67 119.56 2zua s ASP 137 Ca 0.03 0.97 0.19 0.00 0.71 0.00 0.00 52.55 54.45 2zua s ASP 137 Cb -0.07 -2.25 1.23 0.00 1.01 0.00 0.00 42.92 42.84 2zua s ASP 137 CO 0.01 -0.30 2.01 -0.33 0.21 0.00 0.00 175.17 176.77 2zua h GLU 138 N 1.51 0.16 -0.00 8.23 5.08 -1.95 0.71 114.58 128.31 2zua h GLU 138 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2zua h GLU 138 Cb 1.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2zua h GLU 138 CO 0.65 0.10 -0.09 -0.40 -1.00 0.00 0.00 179.01 178.28 2zua n ASP 139 N -4.44 0.58 -0.09 1.42 5.75 -1.26 -2.66 116.55 115.86 2zua n ASP 139 Ca 0.08 -0.78 0.13 0.00 -0.01 0.00 0.00 54.79 54.20 2zua n ASP 139 Cb 0.43 -0.04 0.37 0.00 -1.03 0.00 0.00 41.12 40.85 2zua n ASP 139 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2zua n GLU 140 N -0.78 0.33 -4.06 0.11 1.02 0.24 -4.88 120.64 112.62 2zua n GLU 140 Ca 0.16 -0.17 -0.36 0.00 -0.02 0.00 0.00 57.16 56.77 2zua n GLU 140 Cb 0.27 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 2zua n GLU 140 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2zua s LEU 141 N -2.79 4.09 -0.26 -4.62 1.43 -1.09 -4.67 118.68 110.77 2zua s LEU 141 Ca 0.17 0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 53.54 2zua s LEU 141 Cb 0.18 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2zua s LEU 141 CO 0.60 0.39 0.07 -0.69 0.23 0.00 0.00 176.35 176.95 2zua s VAL 142 N -1.00 4.13 -0.42 -1.59 1.01 -0.27 -5.02 120.40 117.25 2zua s VAL 142 Ca 0.15 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 2zua s VAL 142 Cb -0.12 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2zua s VAL 142 CO 0.04 0.26 1.08 -0.62 0.00 0.00 0.00 175.10 175.86 2zua s ASP 143 N 1.57 6.71 0.27 3.32 -1.08 -1.26 -4.79 116.67 121.41 2zua s ASP 143 Ca 0.05 0.62 -0.11 0.00 -0.52 0.00 0.00 52.55 52.59 2zua s ASP 143 Cb -0.16 -2.53 -0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2zua s ASP 143 CO 0.03 -1.08 0.49 -1.66 0.52 0.00 0.00 175.17 173.46 2zua s TRP 144 N 4.05 0.46 -0.16 -5.34 1.48 -1.26 -5.16 118.94 113.01 2zua s TRP 144 Ca 0.45 -0.82 0.01 0.00 -1.06 0.00 0.00 56.10 54.68 2zua s TRP 144 Cb -0.09 0.17 0.02 0.00 -1.16 0.00 0.00 33.47 32.41 2zua s TRP 144 CO 0.25 -1.04 -0.19 -0.51 -4.06 0.00 0.00 176.95 171.41 2zua s ASP 145 N -3.05 2.96 0.03 -2.66 1.01 -1.26 -5.11 116.67 108.59 2zua s ASP 145 Ca 0.24 -0.58 -0.14 0.00 0.71 0.00 0.00 52.55 52.78 2zua s ASP 145 Cb -0.01 -1.37 -0.06 0.00 1.01 0.00 0.00 42.92 42.50 2zua s ASP 145 CO 0.11 0.00 0.42 -1.58 0.21 0.00 0.00 175.17 174.33 2zua s GLN 146 N 1.22 3.89 0.56 8.23 0.74 -1.26 -4.97 119.66 128.07 2zua s GLN 146 Ca 0.02 0.37 0.26 0.00 0.05 0.00 0.00 55.36 56.05 2zua s GLN 146 Cb -0.14 -3.14 1.51 0.00 1.10 0.00 0.00 33.01 32.34 2zua s GLN 146 CO -0.09 0.64 2.07 0.82 -0.55 0.00 0.00 175.29 178.18 2zua h ILE 147 N 3.42 0.64 -0.16 -2.34 1.08 -2.03 -2.16 117.51 115.96 2zua h ILE 147 Ca -0.51 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.93 2zua h ILE 147 Cb 1.21 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 35.77 2zua h ILE 147 CO 0.63 0.00 -0.03 0.44 -0.69 0.00 0.00 178.15 178.50 2zua h ASP 148 N 0.00 0.21 -0.83 1.72 3.32 -1.97 -3.22 116.42 115.64 2zua h ASP 148 Ca 0.13 -0.03 0.16 0.00 0.02 0.00 0.00 57.03 57.31 2zua h ASP 148 Cb 0.60 -0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.00 2zua h ASP 148 CO -0.00 0.28 0.40 -1.28 -1.72 0.00 0.00 179.24 176.92 2zua h SER 149 N 0.22 0.43 -0.06 6.45 0.87 -1.75 0.21 113.55 119.92 2zua h SER 149 Ca 0.05 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2zua h SER 149 Cb 0.21 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2zua h SER 149 CO 0.01 0.15 0.14 -1.28 -0.53 0.00 0.00 176.83 175.32 2zua h SER 150 N 0.54 0.00 0.00 6.23 0.87 -1.77 -2.72 113.55 116.69 2zua h SER 150 Ca 0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 2zua h SER 150 Cb 0.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2zua h SER 150 CO -0.40 0.00 -0.56 0.79 -0.53 0.00 0.00 176.83 176.13 2zua n TRP 151 N -3.32 0.00 0.07 2.24 7.02 0.50 -4.64 117.44 119.32 2zua n TRP 151 Ca -0.01 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.32 2zua n TRP 151 Cb 0.23 -0.03 -0.06 0.00 -2.42 0.00 0.00 31.31 29.02 2zua n TRP 151 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2zua h LEU 152 N 0.00 0.57 -8.97 -0.99 -0.00 -0.67 -3.47 115.31 101.77 2zua h LEU 152 Ca 0.00 -0.47 -0.68 0.00 -0.00 0.00 0.00 57.88 56.72 2zua h LEU 152 Cb 0.12 -0.17 -0.21 0.00 -0.00 0.00 0.00 40.66 40.40 2zua h LEU 152 CO 0.00 1.28 -0.85 -0.31 -0.00 0.00 0.00 178.44 178.57 2zua s TYR 153 N -3.18 2.37 -2.00 1.13 2.02 -1.05 -5.08 117.35 111.56 2zua s TYR 153 Ca -0.06 -0.35 0.09 0.00 -0.37 0.00 0.00 57.07 56.38 2zua s TYR 153 Cb 0.08 -1.27 0.54 0.00 -0.40 0.00 0.00 41.96 40.92 2zua s TYR 153 CO 0.88 0.37 0.99 -1.91 -1.57 0.00 0.00 175.55 174.31