#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zua n GLU 3 N 0.00 0.00 -0.09 1.43 2.13 -1.26 -4.09 120.64 118.76 2zua n GLU 3 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 2zua n GLU 3 Cb 0.00 -0.39 0.10 0.00 0.27 0.00 0.00 31.44 31.42 2zua n GLU 3 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2zua n HIS 4 N 0.00 0.24 -1.54 4.31 8.25 -1.26 -3.80 115.22 121.43 2zua n HIS 4 Ca 0.00 -0.30 -0.43 0.00 -0.26 0.00 0.00 57.72 56.73 2zua n HIS 4 Cb 0.00 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.09 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 0.44 1.00 -4.27 -0.41 2.13 -1.25 -4.74 120.64 113.54 2zua n GLU 5 Ca 0.08 0.36 -0.22 0.00 0.66 0.00 0.00 57.16 58.04 2zua n GLU 5 Cb 0.34 -1.72 -0.12 0.00 0.27 0.00 0.00 31.44 30.21 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 -1.63 1.08 0.01 5.31 0.52 -1.26 -1.90 118.95 121.08 2zua s ARG 6 Ca 0.62 -1.16 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 2zua s ARG 6 Cb -0.66 -1.24 -0.01 0.00 0.52 0.00 0.00 34.95 33.56 2zua s ARG 6 CO 0.58 0.28 -0.03 -0.08 0.02 0.00 0.00 175.30 176.08 2zua s THR 7 N -1.36 0.15 -0.11 0.02 -1.32 -0.71 -4.75 115.64 107.56 2zua s THR 7 Ca 0.06 -0.50 -0.18 0.00 -1.21 0.00 0.00 61.69 59.86 2zua s THR 7 Cb -0.09 -0.21 -0.04 0.00 -1.51 0.00 0.00 72.50 70.64 2zua s THR 7 CO 0.04 -0.23 0.47 0.12 -2.21 0.00 0.00 174.62 172.81 2zua s PHE 8 N -0.74 3.52 0.01 9.09 5.36 -1.26 -1.75 117.98 132.20 2zua s PHE 8 Ca -0.07 0.88 0.01 0.00 -0.96 0.00 0.00 56.93 56.79 2zua s PHE 8 Cb -0.05 -2.53 -0.01 0.00 -0.34 0.00 0.00 43.02 40.09 2zua s PHE 8 CO -0.00 0.19 -0.03 0.08 -1.46 0.00 0.00 175.22 174.00 2zua s VAL 9 N 0.54 0.19 -0.06 3.12 1.01 -0.80 -1.34 120.40 123.06 2zua s VAL 9 Ca 0.25 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 2zua s VAL 9 Cb -0.15 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.05 2zua s VAL 9 CO 0.10 -0.07 0.17 0.00 0.00 0.00 0.00 175.10 175.31 2zua s MET 10 N -0.37 0.21 -0.32 2.72 0.23 -0.17 0.66 119.30 122.25 2zua s MET 10 Ca -0.02 0.23 -0.29 0.00 -1.03 0.00 0.00 55.69 54.58 2zua s MET 10 Cb -0.03 0.10 0.00 0.00 -1.53 0.00 0.00 34.83 33.38 2zua s MET 10 CO -0.00 -0.03 1.27 0.08 -2.03 0.00 0.00 175.02 174.32 2zua s VAL 11 N 0.07 4.17 0.96 5.16 1.01 -0.31 -0.39 120.40 131.08 2zua s VAL 11 Ca -0.00 1.32 -0.12 0.00 0.00 0.00 0.00 61.98 63.17 2zua s VAL 11 Cb -0.01 -4.21 0.17 0.00 0.00 0.00 0.00 36.38 32.32 2zua s VAL 11 CO 0.00 -0.52 1.09 -0.54 0.00 0.00 0.00 175.10 175.14 2zua s LYS 12 N 4.16 0.74 0.55 2.72 1.02 -0.03 -2.13 119.74 126.78 2zua s LYS 12 Ca 0.55 0.72 0.23 0.00 0.02 0.00 0.00 55.97 57.48 2zua s LYS 12 Cb -0.16 -1.76 1.46 0.00 -0.52 0.00 0.00 37.83 36.85 2zua s LYS 12 CO 0.23 -2.57 2.12 -1.35 -0.92 0.00 0.00 175.35 172.86 2zua h PRO 13 N -1.78 0.00 0.25 -1.68 0.11 -1.82 -0.94 132.00 126.13 2zua h PRO 13 Ca -0.52 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2zua h PRO 13 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2zua h PRO 13 CO 0.55 0.00 -0.12 0.38 -0.21 0.00 0.00 178.00 178.60 2zua h ASP 14 N 0.00 -0.28 -0.80 -2.05 2.03 -1.88 -0.81 116.42 112.63 2zua h ASP 14 Ca 0.08 -0.17 0.09 0.00 -0.73 0.00 0.00 57.03 56.30 2zua h ASP 14 Cb 0.33 0.07 -0.05 0.00 -0.83 0.00 0.00 39.33 38.85 2zua h ASP 14 CO -0.00 0.02 0.52 1.23 -1.03 0.00 0.00 179.24 179.99 2zua h GLY 15 N -0.60 1.07 0.83 7.15 0.00 -1.52 -0.67 103.07 109.33 2zua h GLY 15 Ca -0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2zua h GLY 15 CO 0.06 0.19 -0.00 -2.08 0.00 0.00 0.00 176.54 174.70 2zua h VAL 16 N 0.76 1.26 -0.80 4.60 2.07 -1.10 -2.35 116.25 120.68 2zua h VAL 16 Ca 0.36 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2zua h VAL 16 Cb 0.41 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2zua h VAL 16 CO -0.14 0.28 0.50 1.56 0.02 0.00 0.00 177.57 179.79 2zua h GLN 17 N 0.17 1.06 -0.04 1.57 1.08 -0.25 -2.60 115.11 116.11 2zua h GLN 17 Ca 0.06 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2zua h GLN 17 Cb 0.41 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2zua h GLN 17 CO 0.01 0.73 0.00 0.54 -0.95 0.00 0.00 178.83 179.16 2zua n ARG 18 N -4.50 1.15 -2.58 1.46 1.74 -0.34 -4.92 116.66 108.67 2zua n ARG 18 Ca 0.08 -0.22 -0.07 0.00 -0.77 0.00 0.00 57.85 56.87 2zua n ARG 18 Cb 0.04 -1.29 0.03 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.83 0.18 0.26 -0.13 0.00 -0.98 -4.97 105.19 100.38 2zua n GLY 19 Ca 0.13 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.16 2.28 0.01 0.99 4.77 -0.90 -4.75 117.00 117.23 2zua n LEU 20 Ca -0.09 -1.89 -0.12 0.00 -0.03 0.00 0.00 56.01 53.88 2zua n LEU 20 Cb 0.56 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 2zua n LEU 20 CO 0.23 0.56 0.79 0.40 -1.33 0.00 0.00 177.39 178.04 2zua h ILE 21 N 0.86 1.15 0.41 -0.08 2.04 -1.90 -2.43 117.51 117.56 2zua h ILE 21 Ca 0.00 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 2zua h ILE 21 Cb 0.55 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 2zua h ILE 21 CO 0.00 0.12 -0.32 1.23 0.00 0.00 0.00 178.15 179.17 2zua h GLY 22 N -0.15 -1.03 -1.31 5.37 0.00 -1.98 -0.81 103.07 103.16 2zua h GLY 22 Ca 0.01 0.45 0.47 0.00 0.00 0.00 0.00 47.33 48.26 2zua h GLY 22 CO -0.00 -0.33 1.12 -0.55 0.00 0.00 0.00 176.54 176.77 2zua h ASP 23 N -0.71 0.08 0.13 0.19 3.32 -1.89 0.27 116.42 117.82 2zua h ASP 23 Ca -0.05 0.04 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 2zua h ASP 23 Cb 0.59 0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.19 2zua h ASP 23 CO 0.01 -0.04 -1.02 0.40 -1.72 0.00 0.00 179.24 176.86 2zua h ILE 24 N 0.03 1.35 -0.65 0.35 2.04 -0.88 -2.80 117.51 116.95 2zua h ILE 24 Ca 0.81 -2.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.11 2zua h ILE 24 Cb 3.04 3.04 -0.03 0.00 -0.74 0.00 0.00 36.82 42.13 2zua h ILE 24 CO -0.12 0.71 0.14 0.58 0.00 0.00 0.00 178.15 179.46 2zua h VAL 25 N -0.35 1.26 0.06 1.67 2.07 0.47 -2.72 116.25 118.71 2zua h VAL 25 Ca -0.20 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.38 2zua h VAL 25 Cb 1.69 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 2zua h VAL 25 CO 0.12 0.36 -0.35 0.28 0.02 0.00 0.00 177.57 178.00 2zua h SER 26 N 0.96 -1.03 -1.05 0.57 0.02 -0.66 -0.30 113.55 112.06 2zua h SER 26 Ca 0.20 0.12 0.28 0.00 -0.84 0.00 0.00 61.79 61.55 2zua h SER 26 Cb 0.39 0.40 -0.11 0.00 0.14 0.00 0.00 62.40 63.22 2zua h SER 26 CO 0.01 -0.42 0.65 0.03 -1.14 0.00 0.00 176.83 175.96 2zua h ARG 27 N -0.54 0.41 0.01 3.45 3.08 -1.20 0.40 114.38 119.98 2zua h ARG 27 Ca 0.04 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 2zua h ARG 27 Cb 0.60 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.57 2zua h ARG 27 CO -0.24 0.27 -0.55 0.74 -1.07 0.00 0.00 179.97 179.12 2zua h PHE 28 N 0.42 0.54 0.02 3.04 0.05 -1.21 -2.58 116.94 117.22 2zua h PHE 28 Ca 0.64 -0.30 -0.00 0.00 3.82 0.00 0.00 57.97 62.13 2zua h PHE 28 Cb 1.52 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 39.41 2zua h PHE 28 CO -0.00 1.12 -0.01 0.93 -0.18 0.00 0.00 178.31 180.17 2zua h GLU 29 N -0.20 -0.03 -0.91 1.51 5.08 0.10 -1.95 114.58 118.17 2zua h GLU 29 Ca -0.07 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.52 2zua h GLU 29 Cb 1.28 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 30.38 2zua h GLU 29 CO 0.11 0.00 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.67 2zua h ASP 30 N -0.06 -0.48 0.87 1.42 3.45 -0.35 0.57 116.42 121.84 2zua h ASP 30 Ca -0.00 0.25 -0.01 0.00 0.43 0.00 0.00 57.03 57.70 2zua h ASP 30 Cb 0.05 0.45 -0.00 0.00 -0.56 0.00 0.00 39.33 39.27 2zua h ASP 30 CO 0.01 -0.29 -0.03 -0.09 -1.57 0.00 0.00 179.24 177.27 2zua h ARG 31 N 0.05 0.00 0.00 3.56 9.65 -1.15 -3.47 114.38 123.02 2zua h ARG 31 Ca 0.52 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.40 2zua h ARG 31 Cb 0.99 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 2zua h ARG 31 CO -0.84 0.03 0.00 0.41 2.80 0.00 0.00 179.97 182.37 2zua n GLY 32 N -0.11 0.83 3.73 2.80 0.00 0.19 -5.07 105.19 107.56 2zua n GLY 32 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2zua n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2zua n LEU 33 N 0.00 5.25 -4.37 0.99 4.77 -0.76 -4.93 117.00 117.94 2zua n LEU 33 Ca 0.00 0.98 -0.34 0.00 -0.03 0.00 0.00 56.01 56.62 2zua n LEU 33 Cb 0.00 -1.55 -0.14 0.00 -2.33 0.00 0.00 43.42 39.40 2zua n LEU 33 CO 0.00 -0.70 -0.41 -0.75 -1.33 0.00 0.00 177.39 174.20 2zua s LYS 34 N -2.81 3.43 -0.15 3.23 2.20 -0.48 -4.22 119.74 120.94 2zua s LYS 34 Ca 0.71 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 55.39 2zua s LYS 34 Cb -0.43 -2.81 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 2zua s LYS 34 CO 0.50 0.07 1.17 1.41 -0.36 0.00 0.00 175.35 178.14 2zua s MET 35 N 0.75 4.29 0.00 4.03 -2.45 -1.26 0.21 119.30 124.87 2zua s MET 35 Ca -0.04 1.57 0.00 0.00 -1.25 0.00 0.00 55.69 55.98 2zua s MET 35 Cb -0.15 -3.66 0.00 0.00 1.25 0.00 0.00 34.83 32.27 2zua s MET 35 CO 0.02 -0.59 0.22 1.33 1.05 0.00 0.00 175.02 177.05 2zua n VAL 36 N 5.09 0.00 -3.74 10.11 0.24 0.14 -4.96 118.33 125.20 2zua n VAL 36 Ca 0.12 -0.41 -0.13 0.00 -2.04 0.00 0.00 64.34 61.88 2zua n VAL 36 Cb 0.46 1.10 -0.10 0.00 -1.47 0.00 0.00 33.84 33.84 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 -0.36 -0.24 -0.30 7.63 0.00 -1.09 -1.46 107.32 111.49 2zua s GLY 37 Ca 0.00 0.80 -0.10 0.00 0.00 0.00 0.00 44.72 45.42 2zua s GLY 37 CO 0.00 0.63 0.83 -0.32 0.00 0.00 0.00 173.10 174.24 2zua s GLY 38 N -0.39 -0.56 -0.23 0.20 0.00 -1.26 -0.90 107.32 104.19 2zua s GLY 38 Ca -0.05 2.51 -0.03 0.00 0.00 0.00 0.00 44.72 47.15 2zua s GLY 38 CO 0.02 3.40 0.31 1.25 0.00 0.00 0.00 173.10 178.08 2zua s LYS 39 N 2.78 0.29 -0.22 2.90 2.20 0.17 -5.01 119.74 122.84 2zua s LYS 39 Ca 0.04 0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 55.68 2zua s LYS 39 Cb -0.11 -0.78 0.00 0.00 -1.51 0.00 0.00 37.83 35.43 2zua s LYS 39 CO -0.17 -0.70 1.15 0.12 -0.36 0.00 0.00 175.35 175.39 2zua s PHE 40 N 2.44 3.07 0.22 4.03 5.36 -1.26 -1.31 117.98 130.53 2zua s PHE 40 Ca 0.10 1.21 -0.12 0.00 -0.96 0.00 0.00 56.93 57.15 2zua s PHE 40 Cb -0.15 -3.47 -0.00 0.00 -0.34 0.00 0.00 43.02 39.06 2zua s PHE 40 CO -0.17 -1.09 0.43 0.00 -1.46 0.00 0.00 175.22 172.93 2zua s MET 41 N 3.46 1.43 -0.24 10.12 0.23 -0.77 -5.01 119.30 128.51 2zua s MET 41 Ca 0.49 -1.20 -0.01 0.00 -1.03 0.00 0.00 55.69 53.95 2zua s MET 41 Cb -0.17 0.45 0.03 0.00 -1.53 0.00 0.00 34.83 33.60 2zua s MET 41 CO 0.12 -0.58 -0.08 -1.14 -2.03 0.00 0.00 175.02 171.31 2zua s GLN 42 N -3.99 2.82 0.11 3.16 2.00 -1.26 -0.53 119.66 121.96 2zua s GLN 42 Ca 0.20 -0.98 -0.31 0.00 -2.00 0.00 0.00 55.36 52.27 2zua s GLN 42 Cb 0.00 -2.92 -0.10 0.00 0.80 0.00 0.00 33.01 30.79 2zua s GLN 42 CO 0.06 -0.38 1.86 -0.89 -0.50 0.00 0.00 175.29 175.44 2zua n ILE 43 N 4.65 0.44 -1.87 -2.34 2.08 -1.26 -5.00 119.36 116.05 2zua n ILE 43 Ca -0.17 -0.08 -0.30 0.00 0.56 0.00 0.00 62.75 62.77 2zua n ILE 43 Cb 0.47 -2.16 0.07 0.00 -0.75 0.00 0.00 39.64 37.27 2zua n ILE 43 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 2zua s ASP 44 N 3.04 4.97 0.14 4.38 1.47 -1.26 -4.68 116.67 124.73 2zua s ASP 44 Ca 0.83 0.98 -0.22 0.00 1.18 0.00 0.00 52.55 55.33 2zua s ASP 44 Cb -0.48 -1.64 0.01 0.00 -0.34 0.00 0.00 42.92 40.48 2zua s ASP 44 CO 0.38 -1.63 1.65 -0.61 0.68 0.00 0.00 175.17 175.64 2zua h GLN 45 N -0.86 -0.20 -0.04 2.11 5.75 -1.95 -1.24 115.11 118.68 2zua h GLN 45 Ca -0.46 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.09 2zua h GLN 45 Cb 1.29 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.84 2zua h GLN 45 CO 0.65 -0.14 -0.18 1.05 -2.65 0.00 0.00 178.83 177.56 2zua h GLU 46 N -0.21 -0.27 -0.48 1.69 9.09 -1.99 0.57 114.58 122.99 2zua h GLU 46 Ca 0.12 0.02 0.08 0.00 0.05 0.00 0.00 59.36 59.63 2zua h GLU 46 Cb 0.39 0.06 -0.07 0.00 -1.65 0.00 0.00 28.75 27.49 2zua h GLU 46 CO -0.32 -0.18 0.10 1.25 0.05 0.00 0.00 179.01 179.91 2zua h LEU 47 N -0.28 0.02 -1.26 3.06 5.85 -1.93 -1.25 115.31 119.52 2zua h LEU 47 Ca 0.07 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.95 2zua h LEU 47 Cb 0.37 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 2zua h LEU 47 CO -0.20 0.04 0.54 0.00 -0.34 0.00 0.00 178.44 178.48 2zua h ALA 48 N 1.37 1.64 0.03 1.25 0.00 -0.32 -0.04 119.26 123.18 2zua h ALA 48 Ca 0.24 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 2zua h ALA 48 Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2zua h ALA 48 CO -0.30 0.21 -1.02 0.93 0.00 0.00 0.00 179.25 179.08 2zua h GLU 49 N 0.86 0.12 0.15 0.00 5.08 -0.53 -2.61 114.58 117.65 2zua h GLU 49 Ca 0.37 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2zua h GLU 49 Cb 0.31 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2zua h GLU 49 CO -0.14 1.03 -0.07 1.49 -1.00 0.00 0.00 179.01 180.32 2zua h GLU 50 N 0.05 -0.19 -1.00 2.33 4.81 -0.66 -1.72 114.58 118.19 2zua h GLU 50 Ca -0.05 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.40 2zua h GLU 50 Cb 1.73 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 31.04 2zua h GLU 50 CO 0.15 0.09 0.61 1.25 -0.73 0.00 0.00 179.01 180.38 2zua h HIS 51 N -0.47 1.02 -0.55 0.92 2.76 -1.04 0.61 115.15 118.40 2zua h HIS 51 Ca -0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2zua h HIS 51 Cb 0.37 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2zua h HIS 51 CO 0.01 0.17 0.00 0.66 -1.30 0.00 0.00 177.93 177.48 2zua n TYR 52 N -4.79 1.99 -0.27 5.26 4.01 -0.99 -4.70 117.16 117.68 2zua n TYR 52 Ca 0.24 -0.74 0.28 0.00 -0.16 0.00 0.00 57.90 57.52 2zua n TYR 52 Cb 0.65 -0.50 0.65 0.00 -0.31 0.00 0.00 39.34 39.83 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 3.82 0.42 2.00 2.72 0.00 0.10 0.66 103.07 112.79 2zua h GLY 53 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2zua h GLY 53 CO 0.47 -0.04 -0.04 1.05 0.00 0.00 0.00 176.54 177.98 2zua h GLU 54 N 0.15 0.00 -0.54 4.80 4.11 -1.84 -2.71 114.58 118.55 2zua h GLU 54 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.95 2zua h GLU 54 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 2zua h GLU 54 CO -0.10 0.04 0.00 0.72 0.07 0.00 0.00 179.01 179.74 2zua n HIS 55 N -3.22 1.19 0.04 2.06 8.25 0.22 -4.75 115.22 119.01 2zua n HIS 55 Ca -0.01 -0.63 0.04 0.00 -0.26 0.00 0.00 57.72 56.86 2zua n HIS 55 Cb 0.24 -0.20 0.43 0.00 1.12 0.00 0.00 29.99 31.58 2zua n HIS 55 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2zua h GLU 56 N 3.38 0.45 -0.67 -0.41 4.11 -1.52 -1.53 114.58 118.40 2zua h GLU 56 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2zua h GLU 56 Cb 1.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2zua h GLU 56 CO 0.18 0.34 0.00 -0.25 0.07 0.00 0.00 179.01 179.35 2zua n ASP 57 N -4.44 3.50 -4.65 3.06 8.00 -1.26 -4.91 116.55 115.84 2zua n ASP 57 Ca 0.02 -2.42 -0.33 0.00 0.71 0.00 0.00 54.79 52.77 2zua n ASP 57 Cb 0.10 -0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.57 2zua n ASP 57 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2zua s LYS 58 N -1.89 2.76 0.25 -1.24 1.02 -0.57 -5.04 119.74 115.03 2zua s LYS 58 Ca 0.33 -0.60 -0.11 0.00 0.02 0.00 0.00 55.97 55.61 2zua s LYS 58 Cb 0.23 -2.64 0.37 0.00 -0.52 0.00 0.00 37.83 35.26 2zua s LYS 58 CO 0.13 0.64 1.57 -1.35 -0.92 0.00 0.00 175.35 175.42 2zua h PRO 59 N 4.60 -0.01 0.00 -1.68 0.10 -1.91 -2.18 132.00 130.92 2zua h PRO 59 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.61 2zua h PRO 59 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.28 2zua h PRO 59 CO 0.56 -0.01 0.00 1.97 0.10 0.00 0.00 178.00 180.62 2zua n PHE 60 N -5.56 0.00 -0.05 0.65 1.16 -1.26 -4.18 117.46 108.23 2zua n PHE 60 Ca 0.13 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.63 2zua n PHE 60 Cb 0.44 -0.02 -0.02 0.00 -1.61 0.00 0.00 39.48 38.28 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 0.00 -0.40 -0.12 2.97 3.57 -1.62 -2.19 116.94 119.15 2zua h PHE 61 Ca 0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 2zua h PHE 61 Cb 0.01 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2zua h PHE 61 CO 0.00 -0.23 -0.21 -0.44 -2.23 0.00 0.00 178.31 175.20 2zua h ASP 62 N -0.15 0.20 -0.33 0.41 3.45 -1.82 -1.99 116.42 116.20 2zua h ASP 62 Ca 0.13 -0.05 -0.04 0.00 0.43 0.00 0.00 57.03 57.50 2zua h ASP 62 Cb 0.34 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 2zua h ASP 62 CO -0.32 0.42 0.06 1.23 -1.57 0.00 0.00 179.24 179.06 2zua h GLY 63 N 0.86 0.58 0.68 2.75 0.00 -1.69 -0.48 103.07 105.78 2zua h GLY 63 Ca 0.03 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.03 2zua h GLY 63 CO 0.03 0.36 0.20 -2.00 0.00 0.00 0.00 176.54 175.13 2zua h LEU 64 N 0.37 0.26 -0.20 3.11 5.85 -1.22 -1.15 115.31 122.33 2zua h LEU 64 Ca 0.10 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2zua h LEU 64 Cb 0.34 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2zua h LEU 64 CO 0.01 0.18 0.07 0.58 -0.34 0.00 0.00 178.44 178.94 2zua h VAL 65 N 0.40 1.17 -0.17 1.05 2.07 -1.15 -1.84 116.25 117.79 2zua h VAL 65 Ca 0.21 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.21 2zua h VAL 65 Cb 0.16 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2zua h VAL 65 CO -0.17 0.17 0.03 0.44 0.02 0.00 0.00 177.57 178.05 2zua h ASP 66 N 0.16 -0.00 0.10 0.57 3.32 -0.96 -2.14 116.42 117.46 2zua h ASP 66 Ca 0.06 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2zua h ASP 66 Cb 0.20 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2zua h ASP 66 CO -0.00 0.02 -0.05 0.15 -1.72 0.00 0.00 179.24 177.64 2zua h PHE 67 N 0.09 -0.12 0.00 4.55 3.57 -1.11 -0.86 116.94 123.06 2zua h PHE 67 Ca 0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2zua h PHE 67 Cb 0.07 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2zua h PHE 67 CO -0.14 0.06 -0.03 0.97 -2.23 0.00 0.00 178.31 176.94 2zua h ILE 68 N -0.29 0.19 -0.02 1.41 -0.00 -1.32 -1.68 117.51 115.82 2zua h ILE 68 Ca -0.01 -0.29 0.00 0.00 -0.00 0.00 0.00 64.86 64.56 2zua h ILE 68 Cb 0.24 1.23 0.00 0.00 -0.00 0.00 0.00 36.82 38.29 2zua h ILE 68 CO 0.02 0.03 -0.31 0.35 -0.00 0.00 0.00 178.15 178.25 2zua n THR 69 N -3.29 0.00 0.53 2.19 -2.24 -0.81 -4.54 114.28 106.12 2zua n THR 69 Ca -0.02 -0.34 0.10 0.00 -2.27 0.00 0.00 64.05 61.52 2zua n THR 69 Cb 0.18 1.32 0.42 0.00 -2.10 0.00 0.00 70.33 70.15 2zua n THR 69 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2zua n SER 70 N 0.45 0.33 -3.64 3.42 3.41 -0.35 -4.85 113.62 112.40 2zua n SER 70 Ca 0.11 0.57 -0.06 0.00 -0.26 0.00 0.00 58.87 59.23 2zua n SER 70 Cb 0.51 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.80 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 -0.35 0.66 5.00 0.00 -1.26 -5.10 107.32 103.00 2zua s GLY 71 Ca 0.07 0.50 -0.17 0.00 0.00 0.00 0.00 44.72 45.12 2zua s GLY 71 CO 0.37 0.15 1.26 2.56 0.00 0.00 0.00 173.10 177.44 2zua s PRO 72 N -3.26 2.51 0.38 2.90 0.04 -1.26 -4.62 135.00 131.69 2zua s PRO 72 Ca 0.09 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.17 2zua s PRO 72 Cb -0.01 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 2zua s PRO 72 CO -0.03 -1.60 0.06 0.14 0.04 0.00 0.00 177.00 175.61 2zua s VAL 73 N -1.55 2.37 -0.30 -0.36 -7.23 0.31 -3.92 120.40 109.71 2zua s VAL 73 Ca 0.80 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 59.11 2zua s VAL 73 Cb -0.35 -2.90 0.08 0.00 0.56 0.00 0.00 36.38 33.77 2zua s VAL 73 CO 0.40 -0.09 -0.02 0.12 -0.31 0.00 0.00 175.10 175.19 2zua s PHE 74 N -2.59 3.53 0.05 2.82 5.36 -0.91 -1.85 117.98 124.39 2zua s PHE 74 Ca 0.37 -2.69 -0.16 0.00 -0.96 0.00 0.00 56.93 53.49 2zua s PHE 74 Cb 0.03 -2.47 -0.06 0.00 -0.34 0.00 0.00 43.02 40.19 2zua s PHE 74 CO 0.20 -0.92 0.48 0.00 -1.46 0.00 0.00 175.22 173.52 2zua s ALA 75 N 0.99 3.65 0.06 11.12 0.00 -0.43 -1.16 121.76 136.00 2zua s ALA 75 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.84 2zua s ALA 75 Cb -0.19 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 2zua s ALA 75 CO -0.07 0.46 -0.04 -1.64 0.00 0.00 0.00 175.76 174.47 2zua s MET 76 N -1.28 0.64 -0.05 0.00 1.00 0.21 -0.65 119.30 119.17 2zua s MET 76 Ca 0.28 -1.18 0.03 0.00 0.00 0.00 0.00 55.69 54.81 2zua s MET 76 Cb -0.17 0.08 0.01 0.00 0.00 0.00 0.00 34.83 34.74 2zua s MET 76 CO 0.16 -0.08 -0.12 0.08 0.00 0.00 0.00 175.02 175.07 2zua s VAL 77 N -3.55 1.08 0.02 -6.03 1.01 -0.08 -1.90 120.40 110.94 2zua s VAL 77 Ca 0.06 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.63 2zua s VAL 77 Cb 0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2zua s VAL 77 CO -0.08 0.33 -0.23 0.26 0.00 0.00 0.00 175.10 175.39 2zua s TRP 78 N 0.38 2.00 -0.10 5.22 0.52 -0.72 -0.69 118.94 125.55 2zua s TRP 78 Ca -0.08 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.68 2zua s TRP 78 Cb -0.13 -1.23 0.01 0.00 -1.15 0.00 0.00 33.47 30.97 2zua s TRP 78 CO 0.02 0.05 -0.20 -2.00 0.02 0.00 0.00 176.95 174.84 2zua s GLU 79 N -0.92 2.63 -0.09 4.98 2.12 0.13 -1.73 118.70 125.82 2zua s GLU 79 Ca 0.09 -0.72 -0.33 0.00 0.36 0.00 0.00 54.97 54.37 2zua s GLU 79 Cb -0.09 -2.08 0.14 0.00 0.26 0.00 0.00 34.13 32.37 2zua s GLU 79 CO 0.01 0.07 1.42 0.20 -0.54 0.00 0.00 175.26 176.42 2zua s GLY 80 N 0.62 -0.48 0.19 -1.50 0.00 -0.80 -1.38 107.32 103.97 2zua s GLY 80 Ca -0.13 0.91 -0.33 0.00 0.00 0.00 0.00 44.72 45.16 2zua s GLY 80 CO 0.04 0.41 1.49 -0.18 0.00 0.00 0.00 173.10 174.86 2zua n GLN 81 N -0.52 2.06 -4.27 2.90 7.27 -1.25 -2.16 117.38 121.42 2zua n GLN 81 Ca -0.09 0.74 -0.37 0.00 0.07 0.00 0.00 57.00 57.35 2zua n GLN 81 Cb 0.64 -2.45 -0.04 0.00 2.41 0.00 0.00 30.24 30.80 2zua n GLN 81 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2zua n ASP 82 N 2.81 -2.77 -0.25 1.69 2.03 -1.26 -4.87 116.55 113.92 2zua n ASP 82 Ca 0.15 -1.06 0.01 0.00 0.52 0.00 0.00 54.79 54.40 2zua n ASP 82 Cb 0.30 -2.54 0.13 0.00 -0.72 0.00 0.00 41.12 38.28 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 0.90 0.98 -0.16 -1.67 0.00 -1.72 -1.39 119.26 116.21 2zua h ALA 83 Ca -0.60 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 2zua h ALA 83 Cb 1.38 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2zua h ALA 83 CO 0.79 0.02 -0.09 1.15 0.00 0.00 0.00 179.25 181.12 2zua h THR 84 N 0.67 1.32 -0.43 0.00 2.02 -1.88 0.86 112.91 115.48 2zua h THR 84 Ca 0.34 -1.16 -0.13 0.00 0.77 0.00 0.00 66.41 66.24 2zua h THR 84 Cb 0.30 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 2zua h THR 84 CO -0.23 0.34 -0.23 -0.09 0.37 0.00 0.00 175.52 175.68 2zua h ARG 85 N 0.01 0.91 -0.52 6.66 2.43 -1.87 -2.29 114.38 119.71 2zua h ARG 85 Ca 0.03 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 2zua h ARG 85 Cb 0.57 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2zua h ARG 85 CO 0.03 1.06 0.29 1.96 -1.51 0.00 0.00 179.97 181.80 2zua h GLN 86 N 0.74 0.72 -0.77 0.20 1.08 -1.01 0.70 115.11 116.77 2zua h GLN 86 Ca 0.09 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 2zua h GLN 86 Cb 0.80 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.05 2zua h GLN 86 CO 0.07 0.56 0.31 0.28 -0.95 0.00 0.00 178.83 179.09 2zua h VAL 87 N 0.70 1.26 0.00 -0.54 2.07 -0.79 -0.90 116.25 118.04 2zua h VAL 87 Ca 0.18 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 2zua h VAL 87 Cb 0.04 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2zua h VAL 87 CO -0.03 0.33 -0.50 0.03 0.02 0.00 0.00 177.57 177.42 2zua h ARG 88 N 1.12 0.00 -0.21 1.57 3.08 -0.82 -1.78 114.38 117.34 2zua h ARG 88 Ca 0.26 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 2zua h ARG 88 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2zua h ARG 88 CO -0.02 0.50 0.01 1.15 -1.07 0.00 0.00 179.97 180.53 2zua h THR 89 N 0.00 1.25 -0.21 2.04 2.02 -0.52 -3.16 112.91 114.32 2zua h THR 89 Ca -0.00 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 2zua h THR 89 Cb 0.94 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2zua h THR 89 CO 0.06 0.26 0.08 0.24 0.37 0.00 0.00 175.52 176.53 2zua h MET 90 N 0.13 0.29 0.02 6.66 2.86 -0.86 -3.13 114.93 120.90 2zua h MET 90 Ca 0.06 -0.03 -0.27 0.00 -2.06 0.00 0.00 59.70 57.40 2zua h MET 90 Cb 0.38 -0.06 0.02 0.00 0.06 0.00 0.00 31.60 32.01 2zua h MET 90 CO 0.01 0.25 -1.07 0.52 1.06 0.00 0.00 176.91 177.69 2zua h MET 91 N 0.29 0.69 0.00 1.72 2.07 -1.34 -0.28 114.93 118.08 2zua h MET 91 Ca 0.07 -0.77 0.00 0.00 -2.07 0.00 0.00 59.70 56.94 2zua h MET 91 Cb 0.08 0.22 0.00 0.00 -1.87 0.00 0.00 31.60 30.03 2zua h MET 91 CO -0.01 1.33 0.00 0.41 1.07 0.00 0.00 176.91 179.72 2zua n GLY 92 N 1.14 0.42 3.94 8.32 0.00 -1.18 -0.97 105.19 116.85 2zua n GLY 92 Ca -0.12 -2.15 -0.25 0.00 0.00 0.00 0.00 46.02 43.51 2zua n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2zua s GLU 93 N -0.11 2.44 0.09 1.61 0.41 -1.26 -4.77 118.70 117.11 2zua s GLU 93 Ca 0.00 -0.36 -0.33 0.00 -0.41 0.00 0.00 54.97 53.87 2zua s GLU 93 Cb 0.00 -2.28 -0.15 0.00 -1.78 0.00 0.00 34.13 29.92 2zua s GLU 93 CO 0.00 -0.98 1.59 1.15 -0.49 0.00 0.00 175.26 176.54 2zua h THR 94 N -0.32 0.16 -2.83 3.63 2.02 -1.96 -3.38 112.91 110.24 2zua h THR 94 Ca -0.44 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.19 2zua h THR 94 Cb 1.30 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2zua h THR 94 CO 0.58 0.00 0.92 -0.62 0.37 0.00 0.00 175.52 176.77 2zua s ASP 95 N -4.49 6.83 0.54 4.18 -1.08 -1.26 -4.86 116.67 116.53 2zua s ASP 95 Ca -0.17 2.02 0.32 0.00 -0.52 0.00 0.00 52.55 54.20 2zua s ASP 95 Cb 0.05 -2.55 1.43 0.00 -1.46 0.00 0.00 42.92 40.40 2zua s ASP 95 CO 0.62 -0.78 2.02 -0.65 0.52 0.00 0.00 175.17 176.89 2zua h PRO 96 N 8.40 0.00 0.00 4.34 0.11 -1.85 -1.83 132.00 141.17 2zua h PRO 96 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2zua h PRO 96 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2zua h PRO 96 CO 0.93 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.79 2zua n ALA 97 N -2.14 1.82 0.09 -0.75 0.00 -1.26 -1.80 120.51 116.47 2zua n ALA 97 Ca -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.39 2zua n ALA 97 Cb 0.29 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.35 0.63 -3.55 0.00 -0.58 -0.70 -5.05 120.64 110.05 2zua n GLU 98 Ca 0.06 -1.04 -0.33 0.00 -0.42 0.00 0.00 57.16 55.43 2zua n GLU 98 Cb 0.14 -1.08 -0.05 0.00 -0.57 0.00 0.00 31.44 29.88 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 -0.54 6.60 0.22 1.62 0.01 -0.74 -4.72 113.70 116.15 2zua s SER 99 Ca 0.06 0.78 -0.21 0.00 1.31 0.00 0.00 55.95 57.89 2zua s SER 99 Cb 0.04 -2.17 -0.08 0.00 0.21 0.00 0.00 66.02 64.01 2zua s SER 99 CO 0.05 0.06 0.74 0.00 0.41 0.00 0.00 173.24 174.50 2zua s ALA 100 N -1.60 3.41 0.31 1.44 0.00 -1.26 -4.60 121.76 119.45 2zua s ALA 100 Ca 0.40 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 2zua s ALA 100 Cb -0.13 -2.85 -0.12 0.00 0.00 0.00 0.00 23.12 20.03 2zua s ALA 100 CO 0.21 0.32 1.57 -2.30 0.00 0.00 0.00 175.76 175.56 2zua n PRO 101 N 0.82 2.67 0.00 0.00 -0.02 -1.26 -1.79 135.00 135.42 2zua n PRO 101 Ca -0.03 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2zua n PRO 101 Cb 0.51 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 2zua n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2zua n GLY 102 N 1.86 3.21 3.74 -1.23 0.00 -1.17 -5.00 105.19 106.59 2zua n GLY 102 Ca 0.07 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 2.32 0.21 2.61 -4.23 -0.74 -4.85 115.64 110.96 2zua s THR 103 Ca 0.00 0.19 -0.10 0.00 -1.18 0.00 0.00 61.69 60.60 2zua s THR 103 Cb 0.00 -2.97 0.14 0.00 1.34 0.00 0.00 72.50 71.01 2zua s THR 103 CO 0.00 -0.06 1.76 0.40 -0.54 0.00 0.00 174.62 176.19 2zua h ILE 104 N 0.38 0.84 -0.04 2.99 2.04 -0.87 -1.73 117.51 121.11 2zua h ILE 104 Ca -0.50 -0.17 -0.23 0.00 1.00 0.00 0.00 64.86 64.96 2zua h ILE 104 Cb 1.31 0.31 0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2zua h ILE 104 CO 0.53 0.09 -0.91 0.03 0.00 0.00 0.00 178.15 177.88 2zua h ARG 105 N 0.49 0.59 0.00 2.37 3.08 -1.32 -1.80 114.38 117.79 2zua h ARG 105 Ca 0.30 -0.58 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 2zua h ARG 105 Cb 0.31 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 2zua h ARG 105 CO -0.26 1.19 -0.10 0.78 -1.07 0.00 0.00 179.97 180.52 2zua h GLY 106 N 0.83 0.00 0.33 0.04 0.00 -1.61 -0.58 103.07 102.08 2zua h GLY 106 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.02 2zua h GLY 106 CO 0.17 0.00 -2.00 1.22 0.00 0.00 0.00 176.54 175.94 2zua n ASP 107 N -3.67 0.29 -0.00 0.19 8.00 -0.70 -4.56 116.55 116.10 2zua n ASP 107 Ca -0.02 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.61 2zua n ASP 107 Cb 0.21 0.91 -0.00 0.00 -0.02 0.00 0.00 41.12 42.22 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 -2.70 0.00 -4.46 1.24 4.01 -0.68 -5.09 117.16 109.47 2zua n TYR 108 Ca -0.19 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.33 2zua n TYR 108 Cb 0.94 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.86 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 -1.48 1.97 0.00 2.72 0.00 -0.24 -5.03 107.32 105.26 2zua s GLY 109 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.73 2zua s GLY 109 CO 0.01 -1.87 0.00 1.04 0.00 0.00 0.00 173.10 172.28 2zua n LEU 110 N -0.65 0.51 -4.37 0.66 4.77 -1.26 -4.76 117.00 111.90 2zua n LEU 110 Ca -0.05 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.61 2zua n LEU 110 Cb 0.65 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.59 2zua n LEU 110 CO 0.41 0.09 -0.46 -0.62 -1.33 0.00 0.00 177.39 175.48 2zua s ASP 111 N -2.80 3.90 0.34 -1.43 2.15 -1.26 -4.16 116.67 113.42 2zua s ASP 111 Ca 0.00 -0.33 0.17 0.00 0.43 0.00 0.00 52.55 52.81 2zua s ASP 111 Cb 0.00 -1.46 1.19 0.00 -0.30 0.00 0.00 42.92 42.35 2zua s ASP 111 CO 0.00 0.19 1.51 -0.11 -0.17 0.00 0.00 175.17 176.59 2zua n LEU 112 N 3.33 0.25 0.10 -1.34 7.94 -1.26 -0.06 117.00 125.96 2zua n LEU 112 Ca -0.18 1.60 -0.03 0.00 -1.11 0.00 0.00 56.01 56.28 2zua n LEU 112 Cb 0.53 -0.74 -0.01 0.00 0.53 0.00 0.00 43.42 43.72 2zua n LEU 112 CO 0.29 -1.75 0.30 1.23 -1.11 0.00 0.00 177.39 176.35 2zua h GLY 113 N 0.00 0.00 -6.27 -3.96 0.00 -1.95 -3.34 103.07 87.55 2zua h GLY 113 Ca 0.77 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 47.40 2zua h GLY 113 CO -0.77 0.00 0.13 0.54 0.00 0.00 0.00 176.54 176.44 2zua n ARG 114 N -3.41 3.81 -0.76 4.80 5.12 0.92 -4.85 116.66 122.29 2zua n ARG 114 Ca 0.00 -4.67 -0.01 0.00 -1.93 0.00 0.00 57.85 51.24 2zua n ARG 114 Cb 0.82 -2.37 0.27 0.00 -1.16 0.00 0.00 32.46 30.01 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 0.64 4.37 0.00 0.55 0.23 -1.19 -4.28 115.26 115.57 2zua n ASN 115 Ca 0.32 -2.85 0.00 0.00 -0.53 0.00 0.00 54.58 51.52 2zua n ASN 115 Cb 0.35 -0.67 0.00 0.00 -2.08 0.00 0.00 39.78 37.38 2zua n ASN 115 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2zua n VAL 116 N 0.16 0.00 -3.71 3.53 3.14 -1.26 -4.80 118.33 115.38 2zua n VAL 116 Ca 0.28 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.52 2zua n VAL 116 Cb 1.09 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.79 2zua n VAL 116 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 2zua s ILE 117 N -0.01 0.03 0.09 1.55 2.07 -1.26 -0.85 121.20 122.82 2zua s ILE 117 Ca 0.00 -0.28 0.10 0.00 -1.41 0.00 0.00 60.65 59.06 2zua s ILE 117 Cb 0.00 -0.68 -0.03 0.00 0.13 0.00 0.00 42.46 41.88 2zua s ILE 117 CO 0.00 -0.15 -0.26 -2.28 -1.91 0.00 0.00 174.94 170.33 2zua s HIS 118 N -0.93 2.28 -0.13 3.50 5.65 0.48 -4.88 115.29 121.27 2zua s HIS 118 Ca -0.10 -0.40 -0.14 0.00 0.25 0.00 0.00 55.06 54.68 2zua s HIS 118 Cb -0.04 -1.29 0.04 0.00 -1.18 0.00 0.00 32.58 30.11 2zua s HIS 118 CO 0.04 0.24 0.38 0.20 -0.65 0.00 0.00 174.74 174.95 2zua s GLY 119 N -1.69 -0.27 0.39 1.59 0.00 -1.26 -1.00 107.32 105.07 2zua s GLY 119 Ca 0.13 1.00 -0.26 0.00 0.00 0.00 0.00 44.72 45.58 2zua s GLY 119 CO 0.04 0.84 1.19 1.44 0.00 0.00 0.00 173.10 176.62 2zua n SER 120 N 2.69 2.20 -4.65 1.64 7.64 -0.45 -4.92 113.62 117.78 2zua n SER 120 Ca -0.14 1.12 -0.42 0.00 1.01 0.00 0.00 58.87 60.45 2zua n SER 120 Cb 0.57 -1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 62.29 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 -0.53 6.85 0.49 6.43 -1.08 -1.26 -4.76 116.67 122.81 2zua s ASP 121 Ca 0.60 1.06 0.31 0.00 -0.52 0.00 0.00 52.55 54.00 2zua s ASP 121 Cb -0.55 -2.44 1.18 0.00 -1.46 0.00 0.00 42.92 39.65 2zua s ASP 121 CO 0.59 -0.50 1.90 1.12 0.52 0.00 0.00 175.17 178.79 2zua h HIS 122 N 7.63 0.00 -0.05 -5.34 2.07 -1.91 -3.02 115.15 114.53 2zua h HIS 122 Ca -0.24 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.28 2zua h HIS 122 Cb 1.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.08 2zua h HIS 122 CO 0.75 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 176.00 2zua n GLU 123 N -2.95 1.45 -3.85 5.12 1.02 -1.26 -4.35 120.64 115.82 2zua n GLU 123 Ca 0.01 -0.66 -0.30 0.00 -0.02 0.00 0.00 57.16 56.20 2zua n GLU 123 Cb 0.32 -1.43 -0.14 0.00 -0.02 0.00 0.00 31.44 30.17 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 -1.82 4.05 0.09 1.62 2.15 -1.14 -5.10 116.67 116.53 2zua s ASP 124 Ca 0.37 -2.74 -0.31 0.00 0.43 0.00 0.00 52.55 50.30 2zua s ASP 124 Cb 0.19 -1.35 -0.09 0.00 -0.30 0.00 0.00 42.92 41.36 2zua s ASP 124 CO 0.30 -0.26 1.72 -1.83 -0.17 0.00 0.00 175.17 174.93 2zua s GLU 125 N 0.13 4.17 0.00 4.34 -1.05 -1.26 -1.68 118.70 123.35 2zua s GLU 125 Ca 0.17 2.44 0.00 0.00 -0.15 0.00 0.00 54.97 57.42 2zua s GLU 125 Cb -0.25 -3.58 0.00 0.00 -0.44 0.00 0.00 34.13 29.86 2zua s GLU 125 CO -0.01 -0.77 0.00 0.41 0.95 0.00 0.00 175.26 175.83 2zua n GLY 126 N 4.08 2.46 0.24 -3.83 0.00 -1.26 -4.95 105.19 101.94 2zua n GLY 126 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 0.42 -0.28 4.61 0.00 -1.59 -0.34 119.26 122.08 2zua h ALA 127 Ca 0.00 0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2zua h ALA 127 Cb 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2zua h ALA 127 CO 0.00 -0.42 0.01 -2.95 0.00 0.00 0.00 179.25 175.88 2zua h ASN 128 N 0.00 -0.10 -0.02 0.00 7.08 -1.82 -1.12 115.58 119.61 2zua h ASN 128 Ca 0.30 0.06 0.03 0.00 -3.08 0.00 0.00 56.30 53.62 2zua h ASN 128 Cb 0.46 0.11 -0.05 0.00 -2.08 0.00 0.00 38.32 36.75 2zua h ASN 128 CO -0.65 -0.02 -0.37 -0.08 -2.08 0.00 0.00 177.43 174.24 2zua h GLU 129 N 0.09 -0.50 -0.35 4.14 4.57 -1.43 -0.69 114.58 120.41 2zua h GLU 129 Ca 0.13 0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 2zua h GLU 129 Cb 0.17 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2zua h GLU 129 CO -0.22 -0.33 0.04 0.07 -1.18 0.00 0.00 179.01 177.39 2zua h ARG 130 N -0.51 0.59 -0.63 1.92 0.11 -0.89 -1.71 114.38 113.25 2zua h ARG 130 Ca 0.06 -0.17 -0.06 0.00 0.10 0.00 0.00 59.98 59.91 2zua h ARG 130 Cb 0.61 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.60 2zua h ARG 130 CO -0.30 0.68 0.16 0.93 0.10 0.00 0.00 179.97 181.54 2zua h GLU 131 N 0.42 0.99 0.33 0.08 5.08 -1.14 0.51 114.58 120.84 2zua h GLU 131 Ca 0.10 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2zua h GLU 131 Cb 0.39 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2zua h GLU 131 CO 0.01 0.88 -0.24 0.82 -1.00 0.00 0.00 179.01 179.48 2zua h ILE 132 N 0.95 0.50 -0.65 3.13 2.04 -1.03 -2.01 117.51 120.44 2zua h ILE 132 Ca 0.20 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.08 2zua h ILE 132 Cb 0.33 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2zua h ILE 132 CO -0.00 0.00 0.43 -0.33 0.00 0.00 0.00 178.15 178.25 2zua h GLU 133 N -0.56 0.81 -0.71 2.37 5.08 -0.85 0.11 114.58 120.84 2zua h GLU 133 Ca -0.03 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2zua h GLU 133 Cb 0.48 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2zua h GLU 133 CO 0.01 0.54 0.30 1.25 -1.00 0.00 0.00 179.01 180.10 2zua h LEU 134 N 0.83 0.95 0.00 1.33 5.85 0.22 -3.18 115.31 121.31 2zua h LEU 134 Ca 0.25 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2zua h LEU 134 Cb -0.02 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.77 2zua h LEU 134 CO -0.06 0.83 -1.43 0.49 -0.34 0.00 0.00 178.44 177.93 2zua n PHE 135 N -4.30 0.02 -3.93 1.25 3.01 -0.77 -4.94 117.46 107.78 2zua n PHE 135 Ca 0.06 0.01 -0.18 0.00 1.01 0.00 0.00 57.45 58.35 2zua n PHE 135 Cb 0.17 -0.24 -0.16 0.00 -0.01 0.00 0.00 39.48 39.23 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 -3.24 0.36 0.21 1.38 0.08 0.35 -5.10 117.98 112.03 2zua s PHE 136 Ca 0.01 -0.02 -0.30 0.00 0.12 0.00 0.00 56.93 56.74 2zua s PHE 136 Cb 0.15 -0.46 -0.08 0.00 -0.57 0.00 0.00 43.02 42.06 2zua s PHE 136 CO 0.88 -0.15 1.12 -0.51 -0.10 0.00 0.00 175.22 176.47 2zua s ASP 137 N 1.10 7.22 0.26 1.36 1.01 -1.26 -4.26 116.67 122.10 2zua s ASP 137 Ca -0.09 2.18 0.08 0.00 0.71 0.00 0.00 52.55 55.44 2zua s ASP 137 Cb -0.13 -2.61 0.79 0.00 1.01 0.00 0.00 42.92 41.98 2zua s ASP 137 CO -0.02 -0.24 1.19 1.21 0.21 0.00 0.00 175.17 177.53 2zua n GLU 138 N 2.05 -0.05 0.00 8.23 4.07 -1.26 0.18 120.64 133.85 2zua n GLU 138 Ca 0.02 1.09 0.09 0.00 -0.06 0.00 0.00 57.16 58.30 2zua n GLU 138 Cb 0.45 -1.84 0.40 0.00 -0.06 0.00 0.00 31.44 30.39 2zua n GLU 138 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2zua n ASP 139 N -4.89 0.00 0.05 4.31 5.75 -1.26 -1.72 116.55 118.79 2zua n ASP 139 Ca 0.23 0.45 0.13 0.00 -0.01 0.00 0.00 54.79 55.59 2zua n ASP 139 Cb 0.77 -0.48 0.37 0.00 -1.03 0.00 0.00 41.12 40.75 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 -1.48 0.17 -3.60 0.11 1.02 0.13 -4.87 120.64 112.11 2zua n GLU 140 Ca 0.05 0.10 -0.29 0.00 -0.02 0.00 0.00 57.16 57.00 2zua n GLU 140 Cb 0.21 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 29.93 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 -3.87 4.20 -0.15 -4.62 1.43 -0.70 -4.76 118.68 110.21 2zua s LEU 141 Ca 0.10 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 2zua s LEU 141 Cb 0.15 -3.30 0.02 0.00 0.03 0.00 0.00 46.19 43.09 2zua s LEU 141 CO 0.63 -0.05 -0.15 -0.69 0.23 0.00 0.00 176.35 176.32 2zua s VAL 142 N -1.86 1.64 -0.25 -1.59 1.01 -0.53 -5.04 120.40 113.78 2zua s VAL 142 Ca 0.41 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 2zua s VAL 142 Cb -0.11 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 2zua s VAL 142 CO 0.28 0.47 0.83 -1.81 0.00 0.00 0.00 175.10 174.86 2zua s ASP 143 N 1.38 6.80 0.38 3.32 1.01 -1.26 -4.80 116.67 123.50 2zua s ASP 143 Ca 0.03 0.97 -0.09 0.00 0.71 0.00 0.00 52.55 54.17 2zua s ASP 143 Cb -0.13 -2.43 0.03 0.00 1.01 0.00 0.00 42.92 41.40 2zua s ASP 143 CO -0.10 -0.54 0.66 -1.66 0.21 0.00 0.00 175.17 173.75 2zua s TRP 144 N 2.88 0.57 -0.13 4.23 1.48 -1.26 -5.16 118.94 121.54 2zua s TRP 144 Ca 0.35 -1.05 0.01 0.00 -1.06 0.00 0.00 56.10 54.34 2zua s TRP 144 Cb -0.15 0.44 0.02 0.00 -1.16 0.00 0.00 33.47 32.62 2zua s TRP 144 CO 0.08 -1.41 -0.14 -0.51 -4.06 0.00 0.00 176.95 170.91 2zua s ASP 145 N -3.16 2.59 -0.02 -2.66 1.01 -1.26 -5.12 116.67 108.05 2zua s ASP 145 Ca 0.22 -0.46 -0.19 0.00 0.71 0.00 0.00 52.55 52.84 2zua s ASP 145 Cb -0.03 -1.14 -0.05 0.00 1.01 0.00 0.00 42.92 42.71 2zua s ASP 145 CO 0.16 -0.03 0.52 -1.58 0.21 0.00 0.00 175.17 174.45 2zua s GLN 146 N 1.33 4.23 0.59 8.23 0.74 -1.26 -4.95 119.66 128.57 2zua s GLN 146 Ca 0.01 0.60 0.29 0.00 0.05 0.00 0.00 55.36 56.31 2zua s GLN 146 Cb -0.13 -3.33 1.46 0.00 1.10 0.00 0.00 33.01 32.10 2zua s GLN 146 CO -0.08 0.41 1.87 -0.84 -0.55 0.00 0.00 175.29 176.10 2zua h ILE 147 N 4.14 0.37 -0.98 -2.34 -2.65 -2.03 -2.17 117.51 111.86 2zua h ILE 147 Ca -0.46 0.00 0.03 0.00 1.03 0.00 0.00 64.86 65.47 2zua h ILE 147 Cb 1.20 0.59 -0.06 0.00 -2.05 0.00 0.00 36.82 36.50 2zua h ILE 147 CO 0.69 0.00 0.64 0.44 0.03 0.00 0.00 178.15 179.95 2zua h ASP 148 N 0.00 1.07 -0.93 2.16 3.32 -1.97 -3.27 116.42 116.80 2zua h ASP 148 Ca 0.24 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.38 2zua h ASP 148 Cb 1.29 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 40.52 2zua h ASP 148 CO -0.00 0.74 0.57 0.77 -1.72 0.00 0.00 179.24 179.59 2zua h SER 149 N 1.24 0.85 -1.59 6.45 4.64 -1.75 0.20 113.55 123.59 2zua h SER 149 Ca 0.39 0.04 0.46 0.00 -0.47 0.00 0.00 61.79 62.21 2zua h SER 149 Cb -0.01 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 61.89 2zua h SER 149 CO -0.12 0.49 1.15 0.28 -0.87 0.00 0.00 176.83 177.76 2zua h SER 150 N 0.95 0.00 0.00 4.97 0.02 -1.77 -1.49 113.55 116.23 2zua h SER 150 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2zua h SER 150 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2zua h SER 150 CO -0.24 0.00 -0.89 0.79 -1.14 0.00 0.00 176.83 175.36 2zua n TRP 151 N -4.04 0.00 0.14 3.45 7.02 -0.12 -4.58 117.44 119.32 2zua n TRP 151 Ca 0.35 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.85 2zua n TRP 151 Cb 1.65 -0.08 0.12 0.00 -2.42 0.00 0.00 31.31 30.57 2zua n TRP 151 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2zua h LEU 152 N 0.00 0.00 -8.09 -0.99 5.85 -0.07 -3.46 115.31 108.55 2zua h LEU 152 Ca 0.00 0.00 -0.45 0.00 0.84 0.00 0.00 57.88 58.27 2zua h LEU 152 Cb 0.22 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 40.95 2zua h LEU 152 CO 0.00 0.57 -0.80 -0.31 -0.34 0.00 0.00 178.44 177.56 2zua s TYR 153 N -3.20 1.09 -2.00 1.25 2.02 -0.80 -5.05 117.35 110.66 2zua s TYR 153 Ca 0.01 -0.24 0.25 0.00 -0.37 0.00 0.00 57.07 56.72 2zua s TYR 153 Cb 0.10 -0.73 1.48 0.00 -0.40 0.00 0.00 41.96 42.40 2zua s TYR 153 CO 0.74 -0.06 1.84 -1.91 -1.57 0.00 0.00 175.55 174.59