#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ab9 s VAL 3 N 0.00 1.65 -0.07 3.44 1.01 -1.26 -4.49 120.40 120.67 3ab9 s VAL 3 Ca 0.00 -2.97 -0.40 0.00 0.00 0.00 0.00 61.98 58.61 3ab9 s VAL 3 Cb 0.00 -2.13 -0.18 0.00 0.00 0.00 0.00 36.38 34.06 3ab9 s VAL 3 CO 0.00 -0.96 1.31 -2.65 0.00 0.00 0.00 175.10 172.80 3ab9 n PRO 4 N 3.10 0.50 0.26 2.72 -0.02 -1.26 -4.83 135.00 135.48 3ab9 n PRO 4 Ca 0.13 0.18 0.15 0.00 -2.02 0.00 0.00 63.50 61.94 3ab9 n PRO 4 Cb 0.36 -1.75 0.67 0.00 -0.02 0.00 0.00 33.50 32.77 3ab9 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ab9 h ALA 5 N 4.26 1.05 0.00 3.55 0.00 -1.99 -3.07 119.26 123.07 3ab9 h ALA 5 Ca -0.48 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3ab9 h ALA 5 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3ab9 h ALA 5 CO 0.77 0.11 -0.97 -0.85 0.00 0.00 0.00 179.25 178.31 3ab9 n GLU 6 N -3.27 0.30 -1.73 0.00 0.00 -1.26 -4.50 120.64 110.19 3ab9 n GLU 6 Ca -0.00 0.01 -0.31 0.00 0.00 0.00 0.00 57.16 56.86 3ab9 n GLU 6 Cb 0.31 -1.62 0.04 0.00 0.00 0.00 0.00 31.44 30.18 3ab9 n GLU 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3ab9 s LEU 7 N -4.03 3.04 0.16 -1.84 1.43 -1.16 -4.99 118.68 111.29 3ab9 s LEU 7 Ca 0.04 1.41 0.04 0.00 -1.03 0.00 0.00 54.13 54.59 3ab9 s LEU 7 Cb 0.14 -4.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.03 3ab9 s LEU 7 CO 0.79 -1.30 0.19 -0.54 0.23 0.00 0.00 176.35 175.72 3ab9 s LYS 8 N -5.17 3.10 0.06 1.70 -0.14 -0.97 -4.03 119.74 114.29 3ab9 s LYS 8 Ca 0.57 -0.78 0.03 0.00 -1.36 0.00 0.00 55.97 54.43 3ab9 s LYS 8 Cb -0.12 -2.76 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 3ab9 s LYS 8 CO 0.54 0.49 -0.10 0.71 -0.76 0.00 0.00 175.35 176.24 3ab9 s TYR 9 N -1.76 0.86 0.30 3.18 1.51 0.09 -0.63 117.35 120.88 3ab9 s TYR 9 Ca 0.32 -0.52 0.07 0.00 -1.01 0.00 0.00 57.07 55.93 3ab9 s TYR 9 Cb -0.10 -0.50 -0.03 0.00 -0.11 0.00 0.00 41.96 41.22 3ab9 s TYR 9 CO 0.25 -0.04 0.28 -1.54 -1.11 0.00 0.00 175.55 173.39 3ab9 s SER 10 N -1.77 5.55 0.10 2.29 1.04 -0.47 -0.01 113.70 120.42 3ab9 s SER 10 Ca -0.05 -0.32 0.15 0.00 0.48 0.00 0.00 55.95 56.21 3ab9 s SER 10 Cb -0.09 -1.24 0.65 0.00 0.10 0.00 0.00 66.02 65.44 3ab9 s SER 10 CO 0.01 -0.22 1.46 0.29 0.98 0.00 0.00 173.24 175.76 3ab9 n LYS 11 N -1.34 0.06 -0.43 4.02 5.02 -1.26 -1.52 118.16 122.72 3ab9 n LYS 11 Ca -0.04 0.38 0.10 0.00 -2.02 0.00 0.00 58.31 56.72 3ab9 n LYS 11 Cb 0.59 -1.64 0.31 0.00 -0.02 0.00 0.00 35.03 34.27 3ab9 n LYS 11 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ab9 n GLU 12 N -1.76 2.91 -2.24 1.97 4.71 -1.26 -4.95 120.64 120.02 3ab9 n GLU 12 Ca 0.02 -2.51 -0.06 0.00 -0.01 0.00 0.00 57.16 54.60 3ab9 n GLU 12 Cb 0.14 -1.64 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 3ab9 n GLU 12 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3ab9 n HIS 13 N 1.32 -0.37 -3.48 -0.32 8.25 -0.57 -4.98 115.22 115.06 3ab9 n HIS 13 Ca 0.23 0.05 -0.27 0.00 -0.26 0.00 0.00 57.72 57.47 3ab9 n HIS 13 Cb 0.66 -1.89 -0.03 0.00 1.12 0.00 0.00 29.99 29.86 3ab9 n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3ab9 s GLU 14 N -4.48 3.56 0.30 -0.41 8.01 -1.26 -1.63 118.70 122.80 3ab9 s GLU 14 Ca 0.03 -0.19 0.11 0.00 0.01 0.00 0.00 54.97 54.93 3ab9 s GLU 14 Cb -0.01 -2.72 -0.06 0.00 -4.31 0.00 0.00 34.13 27.03 3ab9 s GLU 14 CO 0.04 0.27 -0.16 1.67 0.01 0.00 0.00 175.26 177.09 3ab9 s TRP 15 N -2.04 2.34 -0.03 1.61 1.48 0.16 -1.37 118.94 121.08 3ab9 s TRP 15 Ca 0.41 -0.39 0.00 0.00 -1.06 0.00 0.00 56.10 55.06 3ab9 s TRP 15 Cb -0.11 -1.14 0.03 0.00 -1.16 0.00 0.00 33.47 31.10 3ab9 s TRP 15 CO 0.31 0.67 0.01 -1.17 -4.06 0.00 0.00 176.95 172.70 3ab9 s LEU 16 N -3.55 1.05 -0.08 -4.66 2.96 0.19 -2.34 118.68 112.25 3ab9 s LEU 16 Ca 0.31 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 3ab9 s LEU 16 Cb -0.02 -0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.47 3ab9 s LEU 16 CO 0.16 -0.12 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.30 3ab9 s ARG 17 N 1.16 2.24 0.08 1.98 3.52 -0.15 -2.28 118.95 125.50 3ab9 s ARG 17 Ca -0.08 -0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 54.63 3ab9 s ARG 17 Cb -0.13 -1.78 -0.05 0.00 -1.56 0.00 0.00 34.95 31.43 3ab9 s ARG 17 CO -0.02 0.07 1.00 0.21 -0.81 0.00 0.00 175.30 175.75 3ab9 s LYS 18 N 0.59 4.62 0.45 5.12 2.47 -1.26 -0.49 119.74 131.24 3ab9 s LYS 18 Ca -0.15 1.49 0.08 0.00 -1.56 0.00 0.00 55.97 55.83 3ab9 s LYS 18 Cb -0.16 -3.39 0.00 0.00 -1.46 0.00 0.00 37.83 32.82 3ab9 s LYS 18 CO 0.05 0.08 0.46 -1.21 0.16 0.00 0.00 175.35 174.89 3ab9 s GLU 19 N 0.37 2.53 0.50 4.03 0.41 0.40 -4.95 118.70 121.99 3ab9 s GLU 19 Ca 0.50 -1.55 0.29 0.00 -0.41 0.00 0.00 54.97 53.80 3ab9 s GLU 19 Cb -0.24 -2.44 1.16 0.00 -1.78 0.00 0.00 34.13 30.84 3ab9 s GLU 19 CO 0.30 -0.32 1.91 0.00 -0.49 0.00 0.00 175.26 176.66 3ab9 h ALA 20 N 0.84 1.02 -0.10 5.21 0.00 -1.97 -1.07 119.26 123.20 3ab9 h ALA 20 Ca -0.39 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ab9 h ALA 20 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3ab9 h ALA 20 CO 0.53 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 3ab9 n ASP 21 N -3.24 0.93 0.00 0.00 5.68 -1.26 -4.91 116.55 113.75 3ab9 n ASP 21 Ca 0.00 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 3ab9 n ASP 21 Cb 0.36 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 3ab9 n ASP 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ab9 n GLY 22 N 0.97 1.80 3.91 6.12 0.00 -0.41 -5.03 105.19 112.56 3ab9 n GLY 22 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3ab9 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ab9 s THR 23 N -2.68 1.98 -0.05 2.61 -4.23 -1.26 -4.75 115.64 107.26 3ab9 s THR 23 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 3ab9 s THR 23 Cb 0.00 -2.97 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 3ab9 s THR 23 CO 0.00 0.00 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.56 3ab9 s TYR 24 N -3.79 2.08 -0.01 3.99 1.51 0.05 -0.45 117.35 120.73 3ab9 s TYR 24 Ca 0.71 -0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 56.06 3ab9 s TYR 24 Cb -0.06 -1.38 -0.05 0.00 -0.11 0.00 0.00 41.96 40.36 3ab9 s TYR 24 CO 0.52 -0.19 0.34 0.99 -1.11 0.00 0.00 175.55 176.11 3ab9 s THR 25 N -0.08 5.16 -0.05 -0.71 2.01 0.36 -0.40 115.64 121.93 3ab9 s THR 25 Ca -0.03 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.59 3ab9 s THR 25 Cb -0.12 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 3ab9 s THR 25 CO 0.03 0.51 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.61 3ab9 s VAL 26 N -1.15 1.44 0.00 3.82 1.01 0.18 -0.97 120.40 124.72 3ab9 s VAL 26 Ca 0.24 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3ab9 s VAL 26 Cb -0.15 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3ab9 s VAL 26 CO 0.13 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3ab9 n GLY 27 N 3.21 3.24 3.78 4.51 0.00 -0.99 -0.85 105.19 118.10 3ab9 n GLY 27 Ca -0.18 -1.40 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 3ab9 n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ab9 s ILE 28 N -2.39 4.48 0.88 -0.61 -4.36 -1.26 -0.67 121.20 117.28 3ab9 s ILE 28 Ca 0.00 -0.97 -0.12 0.00 -0.26 0.00 0.00 60.65 59.30 3ab9 s ILE 28 Cb 0.00 -3.23 0.12 0.00 1.25 0.00 0.00 42.46 40.60 3ab9 s ILE 28 CO 0.00 -0.02 1.12 0.42 0.24 0.00 0.00 174.94 176.70 3ab9 s THR 29 N -1.60 2.35 0.23 8.37 -4.23 -0.64 -4.56 115.64 115.54 3ab9 s THR 29 Ca 0.30 0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.86 3ab9 s THR 29 Cb -0.11 -2.83 0.18 0.00 1.34 0.00 0.00 72.50 71.09 3ab9 s THR 29 CO 0.23 -0.15 1.74 -0.08 -0.54 0.00 0.00 174.62 175.82 3ab9 h GLU 30 N -1.41 0.42 -0.72 3.99 4.57 -1.92 -1.30 114.58 118.21 3ab9 h GLU 30 Ca -0.50 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3ab9 h GLU 30 Cb 1.31 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.77 3ab9 h GLU 30 CO 0.60 0.28 0.46 1.25 -1.18 0.00 0.00 179.01 180.42 3ab9 h HIS 31 N 0.43 0.92 -0.10 0.92 2.76 -1.92 -1.42 115.15 116.74 3ab9 h HIS 31 Ca 0.36 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.56 3ab9 h HIS 31 Cb 0.49 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 3ab9 h HIS 31 CO -0.17 0.60 0.00 0.00 -1.30 0.00 0.00 177.93 177.06 3ab9 h ALA 32 N 1.25 0.09 -0.08 5.26 0.00 -1.67 -0.39 119.26 123.72 3ab9 h ALA 32 Ca 0.26 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3ab9 h ALA 32 Cb -0.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ab9 h ALA 32 CO -0.05 -0.46 -0.40 -0.56 0.00 0.00 0.00 179.25 177.78 3ab9 h GLN 33 N 0.04 0.16 -0.66 0.00 -0.00 -1.07 -1.99 115.11 111.60 3ab9 h GLN 33 Ca 0.05 -0.07 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 3ab9 h GLN 33 Cb 0.05 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.50 3ab9 h GLN 33 CO -0.08 0.54 0.25 0.93 -0.00 0.00 0.00 178.83 180.47 3ab9 h GLU 34 N 0.14 0.99 -0.55 0.06 5.08 -0.75 -0.88 114.58 118.66 3ab9 h GLU 34 Ca 0.01 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3ab9 h GLU 34 Cb 0.77 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3ab9 h GLU 34 CO 0.06 0.84 0.30 -0.07 -1.00 0.00 0.00 179.01 179.14 3ab9 h LEU 35 N 0.93 0.69 -0.24 1.33 3.38 -0.73 -3.24 115.31 117.44 3ab9 h LEU 35 Ca 0.22 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 3ab9 h LEU 35 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ab9 h LEU 35 CO -0.01 0.59 -0.67 -0.07 0.09 0.00 0.00 178.44 178.37 3ab9 h LEU 36 N 0.74 0.94 0.00 1.67 3.38 -1.19 -3.50 115.31 117.36 3ab9 h LEU 36 Ca 0.19 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3ab9 h LEU 36 Cb 0.06 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3ab9 h LEU 36 CO -0.03 1.36 0.00 0.61 0.09 0.00 0.00 178.44 180.47 3ab9 n GLY 37 N 0.53 -1.56 3.69 0.83 0.00 -0.35 -4.44 105.19 103.89 3ab9 n GLY 37 Ca -0.06 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 3ab9 n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ab9 s ASP 38 N -4.00 6.56 0.24 1.61 1.01 -1.26 -4.81 116.67 116.02 3ab9 s ASP 38 Ca 0.00 2.55 -0.30 0.00 0.71 0.00 0.00 52.55 55.51 3ab9 s ASP 38 Cb 0.00 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.28 3ab9 s ASP 38 CO 0.00 -0.92 1.02 -0.32 0.21 0.00 0.00 175.17 175.17 3ab9 s MET 39 N 2.70 4.73 -0.08 8.23 1.75 -1.26 -1.45 119.30 133.92 3ab9 s MET 39 Ca 0.76 1.64 0.01 0.00 -1.25 0.00 0.00 55.69 56.85 3ab9 s MET 39 Cb -0.41 -3.25 -0.06 0.00 2.84 0.00 0.00 34.83 33.95 3ab9 s MET 39 CO 0.33 0.33 -0.07 0.28 -0.65 0.00 0.00 175.02 175.25 3ab9 n VAL 40 N 1.54 0.47 -3.66 10.11 0.31 0.40 -4.37 118.33 123.13 3ab9 n VAL 40 Ca -0.01 -0.19 -0.11 0.00 -0.01 0.00 0.00 64.34 64.02 3ab9 n VAL 40 Cb 0.46 -0.80 -0.08 0.00 -0.91 0.00 0.00 33.84 32.51 3ab9 n VAL 40 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3ab9 s PHE 41 N -2.17 -0.81 -0.16 3.52 5.36 -0.87 -4.85 117.98 118.01 3ab9 s PHE 41 Ca -0.11 1.79 0.01 0.00 -0.96 0.00 0.00 56.93 57.66 3ab9 s PHE 41 Cb 0.03 0.39 0.01 0.00 -0.34 0.00 0.00 43.02 43.10 3ab9 s PHE 41 CO 0.20 -0.41 -0.18 0.08 -1.46 0.00 0.00 175.22 173.45 3ab9 s VAL 42 N 0.98 2.34 -0.36 3.12 1.01 -1.26 -0.58 120.40 125.66 3ab9 s VAL 42 Ca -0.05 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 3ab9 s VAL 42 Cb -0.05 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.36 3ab9 s VAL 42 CO -0.09 0.53 0.75 -0.62 0.00 0.00 0.00 175.10 175.66 3ab9 s ASP 43 N 0.98 6.53 0.20 3.32 -1.08 -0.06 -4.76 116.67 121.79 3ab9 s ASP 43 Ca -0.03 0.32 -0.09 0.00 -0.52 0.00 0.00 52.55 52.23 3ab9 s ASP 43 Cb -0.15 -2.38 -0.07 0.00 -1.46 0.00 0.00 42.92 38.87 3ab9 s ASP 43 CO -0.04 -0.69 0.51 -0.76 0.52 0.00 0.00 175.17 174.71 3ab9 s LEU 44 N 2.99 4.21 1.00 -1.34 1.43 -1.26 -1.80 118.68 123.91 3ab9 s LEU 44 Ca 0.30 0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 54.15 3ab9 s LEU 44 Cb -0.14 -3.55 0.19 0.00 0.03 0.00 0.00 46.19 42.72 3ab9 s LEU 44 CO 0.16 -0.03 1.08 -2.16 0.23 0.00 0.00 176.35 175.64 3ab9 s PRO 45 N -2.67 0.44 -0.06 1.29 0.04 -1.11 -4.92 135.00 128.01 3ab9 s PRO 45 Ca 0.45 0.79 -0.27 0.00 0.04 0.00 0.00 61.00 62.01 3ab9 s PRO 45 Cb -0.12 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 3ab9 s PRO 45 CO 0.21 -2.79 0.85 -2.00 0.04 0.00 0.00 177.00 173.31 3ab9 s GLU 46 N -4.81 4.46 0.28 4.56 2.56 -1.26 -4.92 118.70 119.56 3ab9 s GLU 46 Ca 0.65 1.14 -0.30 0.00 0.00 0.00 0.00 54.97 56.47 3ab9 s GLU 46 Cb -0.20 -3.48 -0.11 0.00 2.00 0.00 0.00 34.13 32.34 3ab9 s GLU 46 CO 0.59 -0.08 1.48 0.08 -0.56 0.00 0.00 175.26 176.77 3ab9 s VAL 47 N 1.22 2.44 0.00 3.70 1.01 -1.26 -1.88 120.40 125.63 3ab9 s VAL 47 Ca 0.44 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.80 3ab9 s VAL 47 Cb -0.19 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3ab9 s VAL 47 CO 0.21 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3ab9 n GLY 48 N 1.99 1.41 3.77 4.51 0.00 0.35 -5.02 105.19 112.19 3ab9 n GLY 48 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3ab9 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ab9 s ALA 49 N -2.32 3.30 -0.19 4.61 0.00 -0.78 -4.73 121.76 121.63 3ab9 s ALA 49 Ca 0.00 1.22 -0.07 0.00 0.00 0.00 0.00 51.96 53.11 3ab9 s ALA 49 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3ab9 s ALA 49 CO 0.00 -0.78 0.06 0.99 0.00 0.00 0.00 175.76 176.03 3ab9 s THR 50 N -1.25 4.63 0.10 0.00 2.01 -1.26 -0.81 115.64 119.07 3ab9 s THR 50 Ca 0.55 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.54 3ab9 s THR 50 Cb -0.38 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 3ab9 s THR 50 CO 0.49 0.43 -0.17 0.68 -0.69 0.00 0.00 174.62 175.37 3ab9 s VAL 51 N 0.63 1.41 0.06 3.82 -7.23 -0.03 -5.00 120.40 114.08 3ab9 s VAL 51 Ca 0.03 -1.54 -0.06 0.00 -1.81 0.00 0.00 61.98 58.60 3ab9 s VAL 51 Cb -0.13 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 3ab9 s VAL 51 CO 0.02 -0.24 0.31 -0.44 -0.31 0.00 0.00 175.10 174.44 3ab9 s SER 52 N -2.07 6.50 -0.04 4.85 0.01 -1.26 -0.96 113.70 120.73 3ab9 s SER 52 Ca 0.05 0.57 -0.39 0.00 1.31 0.00 0.00 55.95 57.49 3ab9 s SER 52 Cb -0.08 -2.09 -0.18 0.00 0.21 0.00 0.00 66.02 63.87 3ab9 s SER 52 CO 0.03 0.17 1.29 0.00 0.41 0.00 0.00 173.24 175.14 3ab9 n ALA 53 N 0.70 -2.11 -0.03 1.44 0.00 -1.25 -0.96 120.51 118.30 3ab9 n ALA 53 Ca -0.07 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3ab9 n ALA 53 Cb 0.52 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3ab9 n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ab9 n GLY 54 N 2.38 0.91 3.75 0.00 0.00 0.90 -4.90 105.19 108.23 3ab9 n GLY 54 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3ab9 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ab9 s ASP 55 N -2.66 6.81 0.02 1.61 1.01 -0.14 -4.72 116.67 118.60 3ab9 s ASP 55 Ca 0.00 2.58 -0.30 0.00 0.71 0.00 0.00 52.55 55.54 3ab9 s ASP 55 Cb 0.00 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 3ab9 s ASP 55 CO 0.00 -0.55 1.35 1.51 0.21 0.00 0.00 175.17 177.69 3ab9 s ASP 56 N -0.09 6.90 0.00 0.27 -4.77 -1.26 -1.01 116.67 116.71 3ab9 s ASP 56 Ca 0.53 2.10 0.00 0.00 -3.30 0.00 0.00 52.55 51.89 3ab9 s ASP 56 Cb -0.39 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 38.87 3ab9 s ASP 56 CO 0.46 -0.65 0.05 0.00 0.70 0.00 0.00 175.17 175.72 3ab9 s ALA 58 N -0.01 -0.19 -0.01 0.00 0.00 -1.00 -2.75 121.76 117.80 3ab9 s ALA 58 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3ab9 s ALA 58 Cb 0.00 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.17 3ab9 s ALA 58 CO 0.00 -0.82 -0.03 0.08 0.00 0.00 0.00 175.76 175.00 3ab9 s VAL 59 N -4.01 0.27 -0.15 0.00 1.01 -0.74 -0.83 120.40 115.95 3ab9 s VAL 59 Ca 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 3ab9 s VAL 59 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 3ab9 s VAL 59 CO 0.07 0.10 -0.07 0.00 0.00 0.00 0.00 175.10 175.21 3ab9 s ALA 60 N 0.16 2.87 -0.10 5.51 0.00 -0.22 -0.88 121.76 129.10 3ab9 s ALA 60 Ca -0.01 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.11 3ab9 s ALA 60 Cb -0.04 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.63 3ab9 s ALA 60 CO -0.00 0.18 -0.19 -1.21 0.00 0.00 0.00 175.76 174.53 3ab9 s GLU 61 N 0.44 2.59 0.16 0.00 2.02 0.26 -0.74 118.70 123.42 3ab9 s GLU 61 Ca -0.06 -0.71 0.01 0.00 0.02 0.00 0.00 54.97 54.24 3ab9 s GLU 61 Cb -0.15 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.06 3ab9 s GLU 61 CO 0.04 0.07 0.12 -1.13 0.02 0.00 0.00 175.26 174.38 3ab9 n SER 62 N 3.79 1.50 -0.03 -0.19 3.41 -1.26 -0.45 113.62 120.38 3ab9 n SER 62 Ca -0.20 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 3ab9 n SER 62 Cb 0.52 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3ab9 n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3ab9 n VAL 63 N -0.88 0.00 -0.85 -3.33 0.24 -0.53 -4.68 118.33 108.30 3ab9 n VAL 63 Ca -0.01 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.10 3ab9 n VAL 63 Cb 0.18 -0.40 0.01 0.00 -1.47 0.00 0.00 33.84 32.16 3ab9 n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ab9 n ALA 65 N -0.44 -0.45 -3.34 2.33 0.00 -1.26 -5.11 120.51 112.23 3ab9 n ALA 65 Ca 0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 53.44 52.61 3ab9 n ALA 65 Cb 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 3ab9 n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ab9 s ALA 66 N -1.95 -1.13 -0.00 0.00 0.00 -1.26 -4.48 121.76 112.94 3ab9 s ALA 66 Ca 0.18 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 3ab9 s ALA 66 Cb 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 3ab9 s ALA 66 CO 0.32 -0.27 0.02 0.45 0.00 0.00 0.00 175.76 176.29 3ab9 s SER 67 N -0.70 0.02 0.62 0.00 0.15 0.08 -4.99 113.70 108.88 3ab9 s SER 67 Ca -0.08 -0.04 -0.18 0.00 0.70 0.00 0.00 55.95 56.35 3ab9 s SER 67 Cb -0.03 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.32 3ab9 s SER 67 CO 0.04 -0.07 1.25 -1.81 1.20 0.00 0.00 173.24 173.85 3ab9 s ASP 68 N -0.26 4.89 -0.07 5.45 1.01 -1.26 -1.05 116.67 125.37 3ab9 s ASP 68 Ca -0.03 2.50 0.04 0.00 0.71 0.00 0.00 52.55 55.77 3ab9 s ASP 68 Cb -0.02 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3ab9 s ASP 68 CO -0.00 -1.81 -0.18 -0.63 0.21 0.00 0.00 175.17 172.76 3ab9 s ILE 69 N -1.50 1.58 0.12 0.77 1.01 -0.01 -4.87 121.20 118.30 3ab9 s ILE 69 Ca 0.80 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.76 3ab9 s ILE 69 Cb -0.34 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3ab9 s ILE 69 CO 0.36 0.45 -0.09 -0.31 0.00 0.00 0.00 174.94 175.35 3ab9 s TYR 70 N 0.27 2.74 -0.05 3.97 2.02 -1.26 -0.93 117.35 124.10 3ab9 s TYR 70 Ca -0.11 -0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.14 3ab9 s TYR 70 Cb -0.15 -1.42 -0.05 0.00 -0.40 0.00 0.00 41.96 39.94 3ab9 s TYR 70 CO 0.05 0.44 1.62 0.00 -1.57 0.00 0.00 175.55 176.09 3ab9 s ALA 71 N -1.29 3.62 -0.05 3.71 0.00 -0.18 -4.88 121.76 122.69 3ab9 s ALA 71 Ca 0.22 0.92 0.23 0.00 0.00 0.00 0.00 51.96 53.34 3ab9 s ALA 71 Cb -0.11 -3.73 0.69 0.00 0.00 0.00 0.00 23.12 19.98 3ab9 s ALA 71 CO 0.14 -1.35 1.73 -1.35 0.00 0.00 0.00 175.76 174.93 3ab9 h PRO 72 N 9.32 0.00 -4.58 0.00 0.11 -1.92 0.26 132.00 135.18 3ab9 h PRO 72 Ca -0.39 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.51 3ab9 h PRO 72 Cb 1.17 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.14 3ab9 h PRO 72 CO 0.95 0.20 -0.68 0.14 -0.21 0.00 0.00 178.00 178.40 3ab9 s VAL 73 N -3.42 0.54 0.48 3.15 -7.23 -1.26 -4.66 120.40 107.99 3ab9 s VAL 73 Ca 0.03 -1.92 -0.20 0.00 -1.81 0.00 0.00 61.98 58.08 3ab9 s VAL 73 Cb 0.08 -1.78 -0.09 0.00 0.56 0.00 0.00 36.38 35.15 3ab9 s VAL 73 CO 0.65 -0.77 1.01 -0.44 -0.31 0.00 0.00 175.10 175.25 3ab9 s SER 74 N -3.05 6.48 0.00 4.85 0.01 -1.26 -3.78 113.70 116.95 3ab9 s SER 74 Ca 0.15 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.25 3ab9 s SER 74 Cb 0.06 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.74 3ab9 s SER 74 CO -0.03 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.54 3ab9 n GLY 75 N -0.44 -0.38 3.42 3.44 0.00 -0.13 -1.53 105.19 109.55 3ab9 n GLY 75 Ca 0.09 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 3ab9 n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ab9 s GLU 76 N -2.00 3.17 -0.15 1.61 2.12 -0.74 -0.85 118.70 121.87 3ab9 s GLU 76 Ca 0.00 -0.67 -0.29 0.00 0.36 0.00 0.00 54.97 54.37 3ab9 s GLU 76 Cb 0.00 -2.59 -0.03 0.00 0.26 0.00 0.00 34.13 31.77 3ab9 s GLU 76 CO 0.00 0.33 1.43 0.42 -0.54 0.00 0.00 175.26 176.91 3ab9 s ILE 77 N 0.04 3.98 -0.36 -3.70 -1.09 0.01 -1.07 121.20 119.02 3ab9 s ILE 77 Ca -0.04 1.16 0.11 0.00 -2.23 0.00 0.00 60.65 59.65 3ab9 s ILE 77 Cb -0.14 -3.81 -0.14 0.00 -1.58 0.00 0.00 42.46 36.79 3ab9 s ILE 77 CO 0.04 -0.17 0.40 1.33 -1.23 0.00 0.00 174.94 175.31 3ab9 n VAL 78 N 5.62 0.00 -3.51 2.92 0.24 -0.19 -0.50 118.33 122.92 3ab9 n VAL 78 Ca 0.16 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.34 62.06 3ab9 n VAL 78 Cb 0.44 0.76 -0.05 0.00 -1.47 0.00 0.00 33.84 33.53 3ab9 n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ab9 s ALA 79 N -2.27 -1.55 0.07 2.33 0.00 -1.20 -4.90 121.76 114.24 3ab9 s ALA 79 Ca 0.01 0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.81 3ab9 s ALA 79 Cb 0.08 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 3ab9 s ALA 79 CO 0.46 -0.53 -0.10 0.14 0.00 0.00 0.00 175.76 175.73 3ab9 s VAL 80 N -2.40 0.78 -1.00 0.00 -7.23 -1.26 -1.13 120.40 108.16 3ab9 s VAL 80 Ca -0.05 -1.35 -0.21 0.00 -1.81 0.00 0.00 61.98 58.56 3ab9 s VAL 80 Cb -0.01 -0.99 0.08 0.00 0.56 0.00 0.00 36.38 36.02 3ab9 s VAL 80 CO -0.01 -0.44 1.35 0.21 -0.31 0.00 0.00 175.10 175.90 3ab9 s ASN 81 N -1.96 6.56 0.60 4.85 3.84 -0.50 -4.82 114.94 123.51 3ab9 s ASN 81 Ca -0.02 -1.71 0.36 0.00 0.21 0.00 0.00 52.86 51.69 3ab9 s ASN 81 Cb -0.07 -2.51 1.95 0.00 -0.55 0.00 0.00 41.25 40.08 3ab9 s ASN 81 CO 0.00 -1.33 2.24 -2.24 -2.79 0.00 0.00 177.10 172.98 3ab9 h ASP 82 N 9.36 0.00 -0.15 -4.21 3.04 -1.94 -1.05 116.42 121.47 3ab9 h ASP 82 Ca 0.19 0.00 0.04 0.00 -3.24 0.00 0.00 57.03 54.03 3ab9 h ASP 82 Cb 1.01 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.29 3ab9 h ASP 82 CO 1.32 0.03 0.14 0.00 -2.04 0.00 0.00 179.24 178.68 3ab9 h ALA 83 N 1.97 1.90 0.00 4.15 0.00 -1.96 -1.68 119.26 123.65 3ab9 h ALA 83 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ab9 h ALA 83 Cb 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ab9 h ALA 83 CO 0.00 -0.22 -0.01 -0.07 0.00 0.00 0.00 179.25 178.95 3ab9 h LEU 84 N 0.00 0.00 -0.89 0.00 3.38 -1.40 -0.11 115.31 116.29 3ab9 h LEU 84 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3ab9 h LEU 84 Cb 0.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3ab9 h LEU 84 CO -0.00 0.01 0.35 0.28 0.09 0.00 0.00 178.44 179.17 3ab9 h SER 85 N 0.00 1.06 0.28 -0.43 0.02 -1.48 -2.71 113.55 110.30 3ab9 h SER 85 Ca -0.00 -0.14 -0.33 0.00 -0.84 0.00 0.00 61.79 60.47 3ab9 h SER 85 Cb 0.55 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3ab9 h SER 85 CO 0.00 0.91 -1.84 0.44 -1.14 0.00 0.00 176.83 175.20 3ab9 h ASP 86 N 1.14 0.29 -2.11 3.07 3.32 -1.66 -3.43 116.42 117.04 3ab9 h ASP 86 Ca 0.27 -0.61 -0.54 0.00 0.02 0.00 0.00 57.03 56.17 3ab9 h ASP 86 Cb 0.16 -0.10 -0.41 0.00 0.22 0.00 0.00 39.33 39.20 3ab9 h ASP 86 CO -0.03 1.54 -0.93 -1.20 -1.72 0.00 0.00 179.24 176.90 3ab9 n SER 87 N -3.35 2.25 0.28 6.45 7.64 -0.07 -4.90 113.62 121.92 3ab9 n SER 87 Ca -0.25 -3.23 0.19 0.00 1.01 0.00 0.00 58.87 56.59 3ab9 n SER 87 Cb 1.05 -0.61 0.87 0.00 -1.01 0.00 0.00 64.21 64.50 3ab9 n SER 87 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3ab9 h PRO 88 N 3.31 0.00 0.00 1.43 0.13 -1.69 -1.92 132.00 133.25 3ab9 h PRO 88 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ab9 h PRO 88 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3ab9 h PRO 88 CO 0.64 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.56 3ab9 n GLU 89 N -2.96 0.12 0.30 0.86 0.00 -1.26 -1.24 120.64 116.45 3ab9 n GLU 89 Ca -0.01 0.60 0.15 0.00 0.00 0.00 0.00 57.16 57.90 3ab9 n GLU 89 Cb 0.19 -1.87 0.91 0.00 0.00 0.00 0.00 31.44 30.68 3ab9 n GLU 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3ab9 h LEU 90 N 0.00 0.00 -0.87 -1.84 3.38 -1.71 -0.90 115.31 113.36 3ab9 h LEU 90 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3ab9 h LEU 90 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ab9 h LEU 90 CO 0.00 0.01 -0.46 0.58 0.09 0.00 0.00 178.44 178.66 3ab9 h VAL 91 N 0.00 1.33 -0.02 1.22 2.07 -1.41 0.40 116.25 119.84 3ab9 h VAL 91 Ca -0.00 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 3ab9 h VAL 91 Cb 0.04 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3ab9 h VAL 91 CO 0.00 0.49 -0.10 0.78 0.02 0.00 0.00 177.57 178.76 3ab9 h ASN 92 N 0.19 0.12 0.50 0.57 2.35 -1.37 -3.16 115.58 114.79 3ab9 h ASN 92 Ca 0.01 -0.66 -0.21 0.00 -0.55 0.00 0.00 56.30 54.89 3ab9 h ASN 92 Cb 0.89 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 3ab9 h ASN 92 CO 0.07 0.76 -0.93 0.77 -1.65 0.00 0.00 177.43 176.45 3ab9 h SER 93 N -0.51 0.36 -2.00 5.81 4.64 -1.30 -3.40 113.55 117.16 3ab9 h SER 93 Ca -0.01 -0.30 -0.51 0.00 -0.47 0.00 0.00 61.79 60.50 3ab9 h SER 93 Cb 0.75 -0.11 -0.40 0.00 -0.31 0.00 0.00 62.40 62.34 3ab9 h SER 93 CO 0.02 1.11 -1.16 -0.62 -0.87 0.00 0.00 176.83 175.31 3ab9 n GLU 94 N -3.68 0.88 0.27 4.77 1.02 0.13 -4.98 120.64 119.04 3ab9 n GLU 94 Ca -0.05 -3.32 0.10 0.00 -0.02 0.00 0.00 57.16 53.86 3ab9 n GLU 94 Cb 0.83 -1.51 0.70 0.00 -0.02 0.00 0.00 31.44 31.44 3ab9 n GLU 94 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3ab9 h PRO 95 N 3.41 0.00 -0.03 3.49 0.13 -1.65 0.16 132.00 137.52 3ab9 h PRO 95 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3ab9 h PRO 95 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3ab9 h PRO 95 CO 0.49 0.02 -0.10 0.66 -0.23 0.00 0.00 178.00 178.84 3ab9 n TYR 96 N -4.32 0.00 0.00 1.56 4.01 -1.26 -4.21 117.16 112.94 3ab9 n TYR 96 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3ab9 n TYR 96 Cb 0.11 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3ab9 n TYR 96 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ab9 n ALA 97 N 0.98 0.00 0.30 -0.72 0.00 -0.68 -4.85 120.51 115.54 3ab9 n ALA 97 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.72 3ab9 n ALA 97 Cb 0.56 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.67 3ab9 n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ab9 h GLY 98 N 0.00 0.00 -1.94 0.00 0.00 -1.86 -2.17 103.07 97.09 3ab9 h GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ab9 h GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3ab9 n GLY 99 N -0.46 1.61 3.55 4.60 0.00 0.49 -4.87 105.19 110.11 3ab9 n GLY 99 Ca 0.00 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 3ab9 n GLY 99 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3ab9 n TRP 100 N 0.51 0.08 -0.08 1.61 4.27 -0.82 -4.60 117.44 118.41 3ab9 n TRP 100 Ca 0.14 0.40 -0.17 0.00 -3.89 0.00 0.00 57.50 53.98 3ab9 n TRP 100 Cb 0.56 -2.03 -0.06 0.00 -1.36 0.00 0.00 31.31 28.42 3ab9 n TRP 100 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 3ab9 n ILE 101 N -2.18 0.93 -3.90 -1.67 5.41 -0.03 -4.57 119.36 113.35 3ab9 n ILE 101 Ca 0.12 -0.25 -0.09 0.00 1.00 0.00 0.00 62.75 63.53 3ab9 n ILE 101 Cb 0.49 -1.62 -0.05 0.00 -0.71 0.00 0.00 39.64 37.75 3ab9 n ILE 101 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3ab9 s PHE 102 N -2.31 0.16 -0.02 1.39 -0.71 -1.03 -1.41 117.98 114.05 3ab9 s PHE 102 Ca -0.23 -0.53 0.05 0.00 -1.04 0.00 0.00 56.93 55.18 3ab9 s PHE 102 Cb 0.09 0.28 -0.01 0.00 -1.21 0.00 0.00 43.02 42.16 3ab9 s PHE 102 CO 0.31 -0.96 -0.17 0.15 -1.34 0.00 0.00 175.22 173.21 3ab9 s LYS 103 N -3.96 1.42 -0.04 1.99 1.02 -0.29 -0.64 119.74 119.25 3ab9 s LYS 103 Ca 0.16 -0.61 0.05 0.00 0.02 0.00 0.00 55.97 55.59 3ab9 s LYS 103 Cb -0.01 -1.36 -0.01 0.00 -0.52 0.00 0.00 37.83 35.94 3ab9 s LYS 103 CO 0.04 0.35 -0.18 -1.50 -0.92 0.00 0.00 175.35 173.14 3ab9 s ILE 104 N -0.35 1.48 -0.50 2.17 2.07 0.47 -1.02 121.20 125.52 3ab9 s ILE 104 Ca 0.05 -0.76 -0.20 0.00 -1.41 0.00 0.00 60.65 58.34 3ab9 s ILE 104 Cb -0.07 -1.26 0.05 0.00 0.13 0.00 0.00 42.46 41.31 3ab9 s ILE 104 CO -0.00 0.42 0.68 -0.75 -1.91 0.00 0.00 174.94 173.38 3ab9 s LYS 105 N -0.08 3.19 0.25 3.50 2.20 -0.23 -0.77 119.74 127.80 3ab9 s LYS 105 Ca -0.01 -0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 3ab9 s LYS 105 Cb -0.11 -4.06 -0.09 0.00 -1.51 0.00 0.00 37.83 32.06 3ab9 s LYS 105 CO 0.02 -1.22 1.30 0.00 -0.36 0.00 0.00 175.35 175.09 3ab9 s ALA 106 N 2.90 3.52 -0.69 3.13 0.00 -1.26 -1.79 121.76 127.57 3ab9 s ALA 106 Ca 0.19 1.15 0.23 0.00 0.00 0.00 0.00 51.96 53.54 3ab9 s ALA 106 Cb -0.17 -3.47 0.17 0.00 0.00 0.00 0.00 23.12 19.64 3ab9 s ALA 106 CO 0.15 -0.55 1.14 -1.13 0.00 0.00 0.00 175.76 175.37 3ab9 n SER 107 N 1.96 0.63 -3.25 0.00 3.41 -0.58 -4.79 113.62 110.99 3ab9 n SER 107 Ca 0.04 -0.17 -0.04 0.00 -0.26 0.00 0.00 58.87 58.44 3ab9 n SER 107 Cb 0.42 0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 3ab9 n SER 107 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ab9 s ASP 108 N -3.83 -0.67 0.00 4.04 2.15 -1.26 -5.03 116.67 112.07 3ab9 s ASP 108 Ca 0.05 -0.84 0.14 0.00 0.43 0.00 0.00 52.55 52.33 3ab9 s ASP 108 Cb 0.15 1.53 0.61 0.00 -0.30 0.00 0.00 42.92 44.90 3ab9 s ASP 108 CO 0.77 -0.22 1.44 -0.62 -0.17 0.00 0.00 175.17 176.37 3ab9 n GLU 109 N 4.57 0.02 0.23 4.34 1.02 -1.26 -1.30 120.64 128.25 3ab9 n GLU 109 Ca 0.09 0.25 0.16 0.00 -0.02 0.00 0.00 57.16 57.64 3ab9 n GLU 109 Cb 0.53 -1.50 0.72 0.00 -0.02 0.00 0.00 31.44 31.17 3ab9 n GLU 109 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3ab9 h SER 110 N 0.00 0.00 0.53 1.62 4.64 -2.01 -2.28 113.55 116.05 3ab9 h SER 110 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ab9 h SER 110 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3ab9 h SER 110 CO 0.00 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.63 3ab9 h GLU 111 N 0.00 0.00 -0.12 4.77 5.08 -1.62 -1.93 114.58 120.76 3ab9 h GLU 111 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3ab9 h GLU 111 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ab9 h GLU 111 CO 0.00 0.00 0.22 -0.07 -1.00 0.00 0.00 179.01 178.16 3ab9 h LEU 112 N 0.00 0.00 -0.21 1.33 3.38 -1.63 -1.36 115.31 116.81 3ab9 h LEU 112 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ab9 h LEU 112 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ab9 h LEU 112 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 3ab9 n GLU 113 N -3.43 0.12 -0.01 1.13 -0.58 -0.72 -2.24 120.64 114.91 3ab9 n GLU 113 Ca 0.00 0.24 0.13 0.00 -0.42 0.00 0.00 57.16 57.12 3ab9 n GLU 113 Cb 0.32 -1.69 0.41 0.00 -0.57 0.00 0.00 31.44 29.91 3ab9 n GLU 113 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3ab9 n SER 114 N -1.91 1.92 -4.93 1.62 7.64 -0.51 -4.92 113.62 112.52 3ab9 n SER 114 Ca 0.04 -1.65 -0.21 0.00 1.01 0.00 0.00 58.87 58.06 3ab9 n SER 114 Cb 0.29 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 3ab9 n SER 114 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ab9 s LEU 115 N -1.95 4.20 0.21 -3.43 1.43 -0.95 -4.99 118.68 113.20 3ab9 s LEU 115 Ca 0.35 -0.00 -0.20 0.00 -1.03 0.00 0.00 54.13 53.26 3ab9 s LEU 115 Cb 0.21 -2.74 -0.08 0.00 0.03 0.00 0.00 46.19 43.60 3ab9 s LEU 115 CO 0.32 -0.06 0.71 -0.76 0.23 0.00 0.00 176.35 176.80 3ab9 s LEU 116 N -3.91 4.35 0.76 1.79 1.02 0.99 -4.86 118.68 118.83 3ab9 s LEU 116 Ca 0.34 1.40 -0.08 0.00 0.02 0.00 0.00 54.13 55.81 3ab9 s LEU 116 Cb -0.09 -3.55 0.10 0.00 0.02 0.00 0.00 46.19 42.67 3ab9 s LEU 116 CO 0.28 0.05 1.09 1.51 0.02 0.00 0.00 176.35 179.29 3ab9 s ASP 117 N -1.63 4.41 0.25 2.29 1.47 -1.26 -0.73 116.67 121.47 3ab9 s ASP 117 Ca 0.42 0.35 -0.04 0.00 1.18 0.00 0.00 52.55 54.47 3ab9 s ASP 117 Cb -0.17 -0.84 0.42 0.00 -0.34 0.00 0.00 42.92 41.99 3ab9 s ASP 117 CO 0.21 -1.87 1.81 0.00 0.68 0.00 0.00 175.17 175.99 3ab9 h ALA 118 N -0.83 1.20 -0.39 2.11 0.00 -1.79 -0.23 119.26 119.33 3ab9 h ALA 118 Ca -0.44 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 3ab9 h ALA 118 Cb 1.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3ab9 h ALA 118 CO 0.54 0.08 -0.17 1.79 0.00 0.00 0.00 179.25 181.49 3ab9 h THR 119 N 0.78 1.26 -0.48 0.00 1.35 -1.94 -0.00 112.91 113.89 3ab9 h THR 119 Ca 0.41 -1.25 -0.05 0.00 -0.55 0.00 0.00 66.41 64.98 3ab9 h THR 119 Cb 0.40 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 3ab9 h THR 119 CO -0.26 0.42 0.12 0.00 -0.25 0.00 0.00 175.52 175.55 3ab9 h ALA 120 N 1.15 0.63 -0.75 6.62 0.00 -1.77 -1.47 119.26 123.67 3ab9 h ALA 120 Ca 0.10 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3ab9 h ALA 120 Cb 0.66 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3ab9 h ALA 120 CO 0.05 0.32 0.23 -0.92 0.00 0.00 0.00 179.25 178.92 3ab9 h TYR 121 N 0.65 1.20 -0.79 0.00 3.20 -0.72 0.59 116.97 121.10 3ab9 h TYR 121 Ca 0.15 -0.12 0.05 0.00 3.14 0.00 0.00 58.73 61.95 3ab9 h TYR 121 Cb 0.32 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 3ab9 h TYR 121 CO 0.02 0.95 0.49 0.93 -1.64 0.00 0.00 178.16 178.90 3ab9 h GLU 122 N 1.11 0.89 -0.73 1.82 5.08 -0.82 -1.07 114.58 120.86 3ab9 h GLU 122 Ca 0.24 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3ab9 h GLU 122 Cb 0.31 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3ab9 h GLU 122 CO -0.01 0.59 0.24 0.00 -1.00 0.00 0.00 179.01 178.83 3ab9 h ALA 123 N 1.36 1.03 -0.68 3.43 0.00 -0.65 -2.41 119.26 121.34 3ab9 h ALA 123 Ca 0.33 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ab9 h ALA 123 Cb 0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3ab9 h ALA 123 CO -0.15 0.65 0.44 1.25 0.00 0.00 0.00 179.25 181.44 3ab9 h LEU 124 N 1.09 0.74 -0.93 0.00 5.85 -0.30 -2.42 115.31 119.33 3ab9 h LEU 124 Ca 0.24 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3ab9 h LEU 124 Cb 0.29 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3ab9 h LEU 124 CO -0.01 0.52 0.52 -0.07 -0.34 0.00 0.00 178.44 179.07 3ab9 h LEU 125 N 0.88 1.13 -1.63 2.25 3.38 -0.93 -1.72 115.31 118.68 3ab9 h LEU 125 Ca 0.26 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3ab9 h LEU 125 Cb -0.05 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.41 3ab9 h LEU 125 CO -0.08 0.89 -0.16 -0.33 0.09 0.00 0.00 178.44 178.86 3ab9 h GLU 126 N 1.28 0.00 0.00 1.13 4.39 -1.09 -2.93 114.58 117.37 3ab9 h GLU 126 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 3ab9 h GLU 126 Cb -0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ab9 h GLU 126 CO -0.06 0.16 -0.87 -0.44 -1.16 0.00 0.00 179.01 176.64 3ab9 h ASP 127 N 0.00 0.00 0.00 1.42 3.32 -0.88 -3.52 116.42 116.76 3ab9 h ASP 127 Ca -0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3ab9 h ASP 127 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3ab9 h ASP 127 CO 0.02 0.05 0.00 1.21 -1.72 0.00 0.00 179.24 178.81