#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fj2 s ASP -4 N 0.00 3.92 0.19 3.17 1.01 -1.26 -4.92 116.67 118.78 1fj2 s ASP -4 Ca 0.00 1.97 -0.12 0.00 0.71 0.00 0.00 52.55 55.10 1fj2 s ASP -4 Cb 0.00 -2.54 0.13 0.00 1.01 0.00 0.00 42.92 41.52 1fj2 s ASP -4 CO 0.00 -2.43 1.83 -0.65 0.21 0.00 0.00 175.17 174.13 1fj2 h PRO -3 N -1.38 0.68 0.00 8.23 0.11 -2.04 -2.58 132.00 135.02 1fj2 h PRO -3 Ca -0.43 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1fj2 h PRO -3 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1fj2 h PRO -3 CO 0.48 0.45 -0.28 1.49 -0.21 0.00 0.00 178.00 179.92 1fj2 h GLU -2 N 0.70 0.00 0.00 1.05 4.81 -2.02 -2.92 114.58 116.20 1fj2 h GLU -2 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1fj2 h GLU -2 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1fj2 h GLU -2 CO -0.10 0.28 0.00 1.19 -0.73 0.00 0.00 179.01 179.65 1fj2 n PHE -1 N -3.68 0.51 -0.96 0.92 3.01 -0.99 -2.30 117.46 113.97 1fj2 n PHE -1 Ca -0.01 0.15 0.02 0.00 1.01 0.00 0.00 57.45 58.62 1fj2 n PHE -1 Cb 0.40 -0.75 0.37 0.00 -0.01 0.00 0.00 39.48 39.50 1fj2 n PHE -1 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1fj2 n MET 1 N -1.92 4.52 -0.00 -1.08 2.81 -1.08 -4.16 117.12 116.21 1fj2 n MET 1 Ca 0.06 -3.15 0.15 0.00 -1.81 0.00 0.00 57.70 52.95 1fj2 n MET 1 Cb 0.39 -2.26 0.74 0.00 -0.71 0.00 0.00 33.22 31.37 1fj2 n MET 1 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1fj2 n SER 2 N 0.35 0.73 -4.86 7.83 3.41 -0.97 -4.91 113.62 115.19 1fj2 n SER 2 Ca 0.33 -1.25 -0.22 0.00 -0.26 0.00 0.00 58.87 57.47 1fj2 n SER 2 Cb 1.28 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 65.19 1fj2 n SER 2 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1fj2 s THR 3 N -2.00 4.67 1.13 6.66 -4.23 -1.26 -5.03 115.64 115.59 1fj2 s THR 3 Ca 0.43 -1.24 -0.14 0.00 -1.18 0.00 0.00 61.69 59.56 1fj2 s THR 3 Cb 0.21 -3.51 0.22 0.00 1.34 0.00 0.00 72.50 70.76 1fj2 s THR 3 CO 0.35 -0.31 0.73 -0.81 -0.54 0.00 0.00 174.62 174.04 1fj2 n PRO 4 N -1.11 -1.97 -1.09 3.99 -0.04 -1.26 -5.00 135.00 128.53 1fj2 n PRO 4 Ca -0.08 -0.54 -0.31 0.00 -0.04 0.00 0.00 63.50 62.53 1fj2 n PRO 4 Cb 0.57 -2.05 0.12 0.00 -0.04 0.00 0.00 33.50 32.10 1fj2 n PRO 4 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fj2 s LEU 5 N -5.30 2.93 0.77 1.53 1.43 -1.26 -4.62 118.68 114.16 1fj2 s LEU 5 Ca 0.65 1.92 -0.14 0.00 -1.03 0.00 0.00 54.13 55.52 1fj2 s LEU 5 Cb -0.22 -4.50 0.06 0.00 0.03 0.00 0.00 46.19 41.56 1fj2 s LEU 5 CO 0.65 -2.39 1.19 -2.84 0.23 0.00 0.00 176.35 173.19 1fj2 s PRO 6 N -4.83 1.93 -0.01 1.29 0.02 -1.26 -4.80 135.00 127.34 1fj2 s PRO 6 Ca 0.63 1.71 -0.30 0.00 0.02 0.00 0.00 61.00 63.06 1fj2 s PRO 6 Cb -0.19 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1fj2 s PRO 6 CO 0.57 -1.98 1.33 0.00 -0.33 0.00 0.00 177.00 176.58 1fj2 s ALA 7 N -2.13 3.55 -0.07 -1.55 0.00 -0.66 -4.86 121.76 116.04 1fj2 s ALA 7 Ca 0.73 0.80 0.03 0.00 0.00 0.00 0.00 51.96 53.52 1fj2 s ALA 7 Cb -0.28 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.29 1fj2 s ALA 7 CO 0.48 -0.84 -0.17 0.42 0.00 0.00 0.00 175.76 175.66 1fj2 s ILE 8 N 2.25 1.46 -0.52 0.00 1.01 -1.26 -0.82 121.20 123.31 1fj2 s ILE 8 Ca 0.61 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 1fj2 s ILE 8 Cb -0.29 -1.29 0.07 0.00 0.01 0.00 0.00 42.46 40.96 1fj2 s ILE 8 CO 0.25 0.43 0.59 -0.69 0.00 0.00 0.00 174.94 175.52 1fj2 s VAL 9 N 0.46 4.94 0.69 2.92 1.01 -0.22 -4.99 120.40 125.21 1fj2 s VAL 9 Ca -0.14 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1fj2 s VAL 9 Cb -0.16 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 31.93 1fj2 s VAL 9 CO 0.05 -0.83 1.14 -2.16 0.00 0.00 0.00 175.10 173.30 1fj2 s PRO 10 N 2.42 2.54 0.25 2.72 0.04 -1.26 -1.30 135.00 140.41 1fj2 s PRO 10 Ca 0.12 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1fj2 s PRO 10 Cb -0.22 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1fj2 s PRO 10 CO 0.09 -1.48 1.26 0.00 0.04 0.00 0.00 177.00 176.92 1fj2 s ALA 11 N -2.21 3.49 0.07 8.56 0.00 -1.23 -4.81 121.76 125.62 1fj2 s ALA 11 Ca 0.70 1.10 -0.19 0.00 0.00 0.00 0.00 51.96 53.57 1fj2 s ALA 11 Cb -0.24 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.33 1fj2 s ALA 11 CO 0.43 -0.48 1.45 0.00 0.00 0.00 0.00 175.76 177.15 1fj2 h ALA 12 N 4.47 0.28 -3.85 0.00 0.00 -1.72 -3.45 119.26 114.98 1fj2 h ALA 12 Ca -0.46 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.00 1fj2 h ALA 12 Cb 1.22 -0.07 0.06 0.00 0.00 0.00 0.00 17.79 18.99 1fj2 h ALA 12 CO 0.72 0.08 0.12 0.54 0.00 0.00 0.00 179.25 180.70 1fj2 n ARG 13 N -4.60 -0.14 -1.94 0.00 1.74 0.60 -5.02 116.66 107.30 1fj2 n ARG 13 Ca -0.05 -0.98 -0.41 0.00 -0.77 0.00 0.00 57.85 55.64 1fj2 n ARG 13 Cb 0.29 -0.43 -0.02 0.00 -1.02 0.00 0.00 32.46 31.28 1fj2 n ARG 13 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1fj2 s LYS 14 N -3.88 4.22 0.04 5.56 1.02 -1.26 -4.80 119.74 120.63 1fj2 s LYS 14 Ca 0.29 2.39 -0.30 0.00 0.02 0.00 0.00 55.97 58.37 1fj2 s LYS 14 Cb -0.01 -3.08 -0.06 0.00 -0.52 0.00 0.00 37.83 34.16 1fj2 s LYS 14 CO 0.20 -0.49 1.28 0.00 -0.92 0.00 0.00 175.35 175.43 1fj2 s ALA 15 N -0.02 3.49 -0.25 5.17 0.00 -1.26 -4.68 121.76 124.21 1fj2 s ALA 15 Ca 0.60 0.87 0.03 0.00 0.00 0.00 0.00 51.96 53.46 1fj2 s ALA 15 Cb -0.44 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.24 1fj2 s ALA 15 CO 0.45 -0.64 1.00 0.25 0.00 0.00 0.00 175.76 176.82 1fj2 n THR 16 N 4.24 0.87 -3.66 0.00 -2.24 -0.31 -4.92 114.28 108.26 1fj2 n THR 16 Ca 0.11 -0.93 -0.10 0.00 -2.27 0.00 0.00 64.05 60.85 1fj2 n THR 16 Cb 0.45 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 1fj2 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fj2 s ALA 17 N -0.90 -1.14 0.04 6.98 0.00 -1.04 -4.85 121.76 120.84 1fj2 s ALA 17 Ca 0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.92 1fj2 s ALA 17 Cb 0.03 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.99 1fj2 s ALA 17 CO 0.04 -0.80 0.14 0.00 0.00 0.00 0.00 175.76 175.14 1fj2 s ALA 18 N -3.84 -0.21 -0.16 0.00 0.00 -0.31 -1.90 121.76 115.34 1fj2 s ALA 18 Ca 0.07 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1fj2 s ALA 18 Cb -0.01 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1fj2 s ALA 18 CO -0.05 -0.33 -0.19 0.08 0.00 0.00 0.00 175.76 175.27 1fj2 s VAL 19 N -2.48 2.23 -0.33 0.00 1.01 0.00 -1.17 120.40 119.66 1fj2 s VAL 19 Ca -0.06 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1fj2 s VAL 19 Cb -0.02 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1fj2 s VAL 19 CO -0.04 0.54 0.17 -0.63 0.00 0.00 0.00 175.10 175.14 1fj2 s ILE 20 N 0.96 4.62 -0.14 2.22 1.01 0.24 0.09 121.20 130.20 1fj2 s ILE 20 Ca -0.03 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1fj2 s ILE 20 Cb -0.15 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 38.91 1fj2 s ILE 20 CO -0.04 -0.02 -0.22 0.12 0.00 0.00 0.00 174.94 174.78 1fj2 s PHE 21 N 1.60 2.67 -0.32 3.97 5.36 -0.01 -1.08 117.98 130.18 1fj2 s PHE 21 Ca 0.04 -1.37 -0.12 0.00 -0.96 0.00 0.00 56.93 54.52 1fj2 s PHE 21 Cb -0.18 -1.82 -0.03 0.00 -0.34 0.00 0.00 43.02 40.66 1fj2 s PHE 21 CO 0.07 -0.63 0.22 -0.51 -1.46 0.00 0.00 175.22 172.91 1fj2 s LEU 22 N 0.84 4.34 1.05 6.12 1.43 0.78 -3.92 118.68 129.31 1fj2 s LEU 22 Ca -0.06 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 52.59 1fj2 s LEU 22 Cb -0.15 -2.12 0.21 0.00 0.03 0.00 0.00 46.19 44.16 1fj2 s LEU 22 CO -0.03 -0.18 1.09 -1.38 0.23 0.00 0.00 176.35 176.09 1fj2 s HIS 23 N 1.72 1.83 0.00 0.29 -3.43 -1.26 -1.40 115.29 113.04 1fj2 s HIS 23 Ca 0.06 0.90 0.00 0.00 -0.80 0.00 0.00 55.06 55.22 1fj2 s HIS 23 Cb -0.17 -3.29 0.00 0.00 -1.43 0.00 0.00 32.58 27.69 1fj2 s HIS 23 CO 0.10 -3.12 0.00 0.41 -2.00 0.00 0.00 174.74 170.13 1fj2 n GLY 24 N -0.99 3.43 0.21 -1.38 0.00 -1.11 -2.87 105.19 102.48 1fj2 n GLY 24 Ca 0.06 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 1fj2 n GLY 24 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fj2 h LEU 25 N 0.00 0.84 -0.86 0.99 3.38 -1.86 -3.22 115.31 114.57 1fj2 h LEU 25 Ca 0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1fj2 h LEU 25 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1fj2 h LEU 25 CO 0.00 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.42 1fj2 n GLY 26 N 0.55 0.63 3.65 0.83 0.00 -1.26 -4.90 105.19 104.70 1fj2 n GLY 26 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 1fj2 n GLY 26 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fj2 s ASP 27 N -0.59 -0.15 0.27 1.61 1.47 -1.22 -5.17 116.67 112.89 1fj2 s ASP 27 Ca 0.00 -0.20 0.09 0.00 1.18 0.00 0.00 52.55 53.62 1fj2 s ASP 27 Cb 0.00 0.30 -0.05 0.00 -0.34 0.00 0.00 42.92 42.83 1fj2 s ASP 27 CO 0.00 -0.54 -0.13 0.42 0.68 0.00 0.00 175.17 175.60 1fj2 s THR 28 N -2.81 2.00 0.19 2.11 -4.23 -1.26 -4.50 115.64 107.13 1fj2 s THR 28 Ca 0.12 -2.24 -0.13 0.00 -1.18 0.00 0.00 61.69 58.26 1fj2 s THR 28 Cb 0.01 -2.33 0.10 0.00 1.34 0.00 0.00 72.50 71.62 1fj2 s THR 28 CO -0.02 -0.39 1.84 1.23 -0.54 0.00 0.00 174.62 176.73 1fj2 h GLY 29 N 2.31 0.87 0.58 3.99 0.00 -1.84 -1.76 103.07 107.22 1fj2 h GLY 29 Ca -0.40 -0.34 0.09 0.00 0.00 0.00 0.00 47.33 46.68 1fj2 h GLY 29 CO 0.64 0.33 0.50 0.84 0.00 0.00 0.00 176.54 178.85 1fj2 h HIS 30 N 0.83 0.91 -0.60 5.60 -0.00 -1.93 -0.22 115.15 119.73 1fj2 h HIS 30 Ca 0.22 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.58 1fj2 h HIS 30 Cb -0.07 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.03 1fj2 h HIS 30 CO -0.03 0.40 0.21 0.78 -0.00 0.00 0.00 177.93 179.29 1fj2 h GLY 31 N 0.86 1.00 1.93 5.26 0.00 -1.76 -1.23 103.07 109.13 1fj2 h GLY 31 Ca 0.40 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1fj2 h GLY 31 CO -0.22 0.54 -0.50 1.49 0.00 0.00 0.00 176.54 177.85 1fj2 h TRP 32 N 0.85 0.09 -0.48 5.60 4.06 -0.98 -2.02 115.95 123.06 1fj2 h TRP 32 Ca 0.20 -0.03 -0.13 0.00 2.06 0.00 0.00 58.89 60.99 1fj2 h TRP 32 Cb 0.26 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 1fj2 h TRP 32 CO 0.02 0.56 -0.22 0.00 -3.56 0.00 0.00 178.44 175.24 1fj2 h ALA 33 N 1.44 0.68 -0.60 1.49 0.00 -0.42 0.25 119.26 122.10 1fj2 h ALA 33 Ca -0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1fj2 h ALA 33 Cb 0.90 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1fj2 h ALA 33 CO 0.07 0.67 0.12 0.93 0.00 0.00 0.00 179.25 181.04 1fj2 h GLU 34 N 0.85 0.95 -0.32 0.00 4.39 -0.95 -0.26 114.58 119.25 1fj2 h GLU 34 Ca 0.11 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 1fj2 h GLU 34 Cb 0.80 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1fj2 h GLU 34 CO 0.07 0.86 0.05 0.00 -1.16 0.00 0.00 179.01 178.82 1fj2 h ALA 35 N 1.23 0.43 0.00 3.43 0.00 -0.71 -2.93 119.26 120.71 1fj2 h ALA 35 Ca 0.19 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1fj2 h ALA 35 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1fj2 h ALA 35 CO 0.00 0.13 -0.24 0.74 0.00 0.00 0.00 179.25 179.88 1fj2 h PHE 36 N 0.36 0.00 -0.09 0.00 -1.00 -0.27 -1.51 116.94 114.43 1fj2 h PHE 36 Ca 0.10 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.90 1fj2 h PHE 36 Cb 0.36 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.91 1fj2 h PHE 36 CO 0.02 0.24 0.08 0.00 -1.61 0.00 0.00 178.31 177.05 1fj2 h ALA 37 N 1.76 1.78 0.00 2.45 0.00 -0.85 -1.58 119.26 122.82 1fj2 h ALA 37 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fj2 h ALA 37 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1fj2 h ALA 37 CO 0.03 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.56 1fj2 n GLY 38 N -1.42 -1.59 0.08 0.00 0.00 -0.57 -3.10 105.19 98.60 1fj2 n GLY 38 Ca -0.01 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.06 1fj2 n GLY 38 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fj2 n ILE 39 N -1.95 1.85 -2.21 -0.61 -5.35 -0.64 -5.09 119.36 105.36 1fj2 n ILE 39 Ca 0.06 -2.20 -0.39 0.00 -0.27 0.00 0.00 62.75 59.95 1fj2 n ILE 39 Cb 0.38 -0.20 -0.02 0.00 -1.74 0.00 0.00 39.64 38.06 1fj2 n ILE 39 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fj2 s ARG 40 N -2.78 4.05 0.04 6.28 1.70 -0.92 -4.95 118.95 122.36 1fj2 s ARG 40 Ca 0.30 1.95 -0.04 0.00 -0.47 0.00 0.00 55.73 57.48 1fj2 s ARG 40 Cb 0.27 -2.73 -0.05 0.00 -0.57 0.00 0.00 34.95 31.87 1fj2 s ARG 40 CO 0.03 -0.36 0.26 0.45 -1.08 0.00 0.00 175.30 174.61 1fj2 s SER 41 N -0.97 6.45 0.28 -2.89 0.15 -1.26 -5.03 113.70 110.42 1fj2 s SER 41 Ca 0.56 0.48 0.24 0.00 0.70 0.00 0.00 55.95 57.93 1fj2 s SER 41 Cb -0.33 -2.05 1.03 0.00 -1.71 0.00 0.00 66.02 62.96 1fj2 s SER 41 CO 0.42 0.20 1.72 -1.54 1.20 0.00 0.00 173.24 175.25 1fj2 n SER 42 N 0.74 0.70 -0.88 5.45 3.41 -1.26 -1.94 113.62 119.84 1fj2 n SER 42 Ca -0.08 0.69 0.08 0.00 -0.26 0.00 0.00 58.87 59.29 1fj2 n SER 42 Cb 0.52 -0.83 0.21 0.00 -0.26 0.00 0.00 64.21 63.85 1fj2 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fj2 n HIS 43 N -2.29 0.64 -4.91 7.33 1.44 -1.26 -0.29 115.22 115.88 1fj2 n HIS 43 Ca 0.02 -0.50 -0.33 0.00 -2.01 0.00 0.00 57.72 54.90 1fj2 n HIS 43 Cb 0.21 -0.02 -0.15 0.00 0.12 0.00 0.00 29.99 30.15 1fj2 n HIS 43 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1fj2 s ILE 44 N -1.00 2.81 -0.05 0.61 1.01 -0.82 -1.16 121.20 122.60 1fj2 s ILE 44 Ca 0.32 -0.76 -0.22 0.00 0.00 0.00 0.00 60.65 59.98 1fj2 s ILE 44 Cb 0.17 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1fj2 s ILE 44 CO 0.22 0.54 0.64 -0.75 0.00 0.00 0.00 174.94 175.60 1fj2 s LYS 45 N 0.13 4.40 -0.22 2.79 2.20 -0.80 -3.54 119.74 124.70 1fj2 s LYS 45 Ca -0.08 0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 56.28 1fj2 s LYS 45 Cb -0.15 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1fj2 s LYS 45 CO 0.05 0.18 -0.04 0.71 -0.36 0.00 0.00 175.35 175.90 1fj2 s TYR 46 N 0.41 2.97 -0.21 4.03 1.51 -0.42 -0.82 117.35 124.83 1fj2 s TYR 46 Ca 0.34 -0.86 -0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1fj2 s TYR 46 Cb -0.18 -2.10 0.01 0.00 -0.11 0.00 0.00 41.96 39.58 1fj2 s TYR 46 CO 0.17 -0.50 -0.12 0.42 -1.11 0.00 0.00 175.55 174.41 1fj2 s ILE 47 N 1.42 2.67 -0.50 2.71 1.01 0.11 -1.05 121.20 127.57 1fj2 s ILE 47 Ca 0.05 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.93 1fj2 s ILE 47 Cb -0.14 -2.21 0.13 0.00 0.01 0.00 0.00 42.46 40.24 1fj2 s ILE 47 CO -0.02 0.43 0.25 0.00 0.00 0.00 0.00 174.94 175.60 1fj2 s PRO 49 N -0.18 2.05 -0.08 0.00 0.04 -1.25 -1.65 135.00 133.93 1fj2 s PRO 49 Ca 0.17 1.12 -0.07 0.00 0.04 0.00 0.00 61.00 62.25 1fj2 s PRO 49 Cb -0.26 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1fj2 s PRO 49 CO -0.00 -1.77 0.19 -1.01 0.04 0.00 0.00 177.00 174.45 1fj2 s HIS 50 N -2.90 3.61 0.12 0.56 3.76 -1.26 -4.61 115.29 114.56 1fj2 s HIS 50 Ca 0.62 0.57 -0.03 0.00 -0.15 0.00 0.00 55.06 56.07 1fj2 s HIS 50 Cb -0.17 -1.98 -0.05 0.00 1.11 0.00 0.00 32.58 31.49 1fj2 s HIS 50 CO 0.56 0.71 0.32 0.00 -0.85 0.00 0.00 174.74 175.48 1fj2 s ALA 51 N -1.09 3.86 0.50 -1.40 0.00 -1.26 -4.92 121.76 117.46 1fj2 s ALA 51 Ca 0.18 -0.65 -0.23 0.00 0.00 0.00 0.00 51.96 51.26 1fj2 s ALA 51 Cb -0.13 -2.03 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 1fj2 s ALA 51 CO 0.08 0.72 1.39 -2.14 0.00 0.00 0.00 175.76 175.82 1fj2 s PRO 52 N -2.61 3.38 -0.26 0.00 0.02 -1.26 -4.22 135.00 130.05 1fj2 s PRO 52 Ca 0.39 2.33 -0.20 0.00 0.02 0.00 0.00 61.00 63.54 1fj2 s PRO 52 Cb -0.12 -2.43 -0.02 0.00 0.02 0.00 0.00 34.50 31.94 1fj2 s PRO 52 CO 0.26 -1.03 0.62 0.08 -0.33 0.00 0.00 177.00 176.59 1fj2 s VAL 53 N -1.25 4.99 0.20 3.83 1.01 -1.26 -0.86 120.40 127.06 1fj2 s VAL 53 Ca 0.67 1.09 -0.22 0.00 0.00 0.00 0.00 61.98 63.52 1fj2 s VAL 53 Cb -0.42 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.08 1fj2 s VAL 53 CO 0.52 0.02 0.62 0.00 0.00 0.00 0.00 175.10 176.26 1fj2 s ARG 54 N 2.49 1.44 0.37 2.72 3.03 -0.95 -4.80 118.95 123.25 1fj2 s ARG 54 Ca 0.26 -0.68 -0.28 0.00 2.03 0.00 0.00 55.73 57.06 1fj2 s ARG 54 Cb -0.15 0.58 -0.11 0.00 -1.03 0.00 0.00 34.95 34.24 1fj2 s ARG 54 CO 0.09 -0.64 1.38 -2.30 -1.13 0.00 0.00 175.30 172.70 1fj2 n PRO 55 N -0.40 2.36 -4.03 3.89 -0.02 -1.26 -2.00 135.00 133.55 1fj2 n PRO 55 Ca -0.12 0.83 -0.34 0.00 -2.02 0.00 0.00 63.50 61.85 1fj2 n PRO 55 Cb 0.63 -2.50 -0.15 0.00 -0.02 0.00 0.00 33.50 31.46 1fj2 n PRO 55 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1fj2 s VAL 56 N -1.12 2.57 0.20 -1.45 1.01 -0.65 -4.89 120.40 116.07 1fj2 s VAL 56 Ca 0.55 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1fj2 s VAL 56 Cb -0.52 -2.17 0.12 0.00 0.00 0.00 0.00 36.38 33.81 1fj2 s VAL 56 CO 0.62 0.42 1.79 0.74 0.00 0.00 0.00 175.10 178.68 1fj2 h THR 57 N 5.95 0.95 -0.46 3.92 2.02 -1.90 -1.33 112.91 122.06 1fj2 h THR 57 Ca -0.41 -0.20 0.06 0.00 0.77 0.00 0.00 66.41 66.62 1fj2 h THR 57 Cb 1.14 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1fj2 h THR 57 CO 0.61 0.11 0.31 0.25 0.37 0.00 0.00 175.52 177.17 1fj2 h LEU 58 N 0.59 0.34 -3.81 2.58 6.46 -1.34 -2.19 115.31 117.94 1fj2 h LEU 58 Ca 0.27 -0.00 -0.55 0.00 -0.12 0.00 0.00 57.88 57.48 1fj2 h LEU 58 Cb 0.18 -0.07 -0.24 0.00 -0.73 0.00 0.00 40.66 39.80 1fj2 h LEU 58 CO -0.18 0.22 0.71 0.59 -0.62 0.00 0.00 178.44 179.16 1fj2 n ASN 59 N -4.48 7.15 -3.64 1.25 3.02 -0.90 -4.87 115.26 112.79 1fj2 n ASN 59 Ca 0.06 -3.52 -0.27 0.00 -0.03 0.00 0.00 54.58 50.81 1fj2 n ASN 59 Cb 0.24 -1.00 0.01 0.00 -0.61 0.00 0.00 39.78 38.43 1fj2 n ASN 59 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1fj2 n MET 60 N -0.48 -4.51 -1.28 3.52 2.81 -0.82 -2.12 117.12 114.24 1fj2 n MET 60 Ca 0.51 0.57 -0.10 0.00 -1.81 0.00 0.00 57.70 56.87 1fj2 n MET 60 Cb 0.66 -5.39 -0.04 0.00 -0.71 0.00 0.00 33.22 27.74 1fj2 n MET 60 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1fj2 n ASN 61 N -2.59 -4.51 -4.73 7.83 3.02 -0.55 -5.00 115.26 108.74 1fj2 n ASN 61 Ca 0.01 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 1fj2 n ASN 61 Cb 0.54 -2.87 -0.03 0.00 -0.61 0.00 0.00 39.78 36.81 1fj2 n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fj2 s VAL 62 N -2.26 2.08 -0.01 2.41 1.01 -0.90 -4.24 120.40 118.49 1fj2 s VAL 62 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1fj2 s VAL 62 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1fj2 s VAL 62 CO 0.00 0.01 1.19 0.00 0.00 0.00 0.00 175.10 176.29 1fj2 s ALA 63 N 0.85 3.44 0.07 5.51 0.00 -1.26 -1.64 121.76 128.74 1fj2 s ALA 63 Ca 0.71 0.69 -0.26 0.00 0.00 0.00 0.00 51.96 53.10 1fj2 s ALA 63 Cb -0.49 -3.48 0.08 0.00 0.00 0.00 0.00 23.12 19.22 1fj2 s ALA 63 CO 0.36 -0.63 0.67 0.00 0.00 0.00 0.00 175.76 176.16 1fj2 s MET 64 N 1.78 1.14 0.05 0.00 0.23 -0.84 -4.82 119.30 116.84 1fj2 s MET 64 Ca 0.57 -0.23 -0.36 0.00 -1.03 0.00 0.00 55.69 54.63 1fj2 s MET 64 Cb -0.26 0.53 -0.16 0.00 -1.53 0.00 0.00 34.83 33.42 1fj2 s MET 64 CO 0.25 -0.46 1.48 -2.30 -2.03 0.00 0.00 175.02 171.95 1fj2 n PRO 65 N 0.03 1.46 -3.65 3.16 -0.02 -1.26 -2.24 135.00 132.48 1fj2 n PRO 65 Ca -0.16 0.53 -0.05 0.00 -2.02 0.00 0.00 63.50 61.79 1fj2 n PRO 65 Cb 0.62 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 1fj2 n PRO 65 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1fj2 s SER 66 N 1.14 -0.95 0.24 2.55 1.04 -0.03 -4.78 113.70 112.91 1fj2 s SER 66 Ca 0.85 1.47 0.03 0.00 0.48 0.00 0.00 55.95 58.78 1fj2 s SER 66 Cb -0.88 1.63 0.26 0.00 0.10 0.00 0.00 66.02 67.13 1fj2 s SER 66 CO 0.47 -0.23 1.57 -0.50 0.98 0.00 0.00 173.24 175.53 1fj2 h TRP 67 N 7.38 0.39 -2.74 5.02 4.06 -1.92 -3.36 115.95 124.79 1fj2 h TRP 67 Ca -0.26 -0.14 0.10 0.00 2.06 0.00 0.00 58.89 60.65 1fj2 h TRP 67 Cb 1.18 -0.07 -0.07 0.00 -1.00 0.00 0.00 29.16 29.19 1fj2 h TRP 67 CO 0.11 0.79 0.33 -0.59 -3.56 0.00 0.00 178.44 175.52 1fj2 s PHE 68 N -3.89 -0.21 0.54 0.49 -0.71 -1.26 -4.56 117.98 108.38 1fj2 s PHE 68 Ca -0.05 -0.16 -0.17 0.00 -1.04 0.00 0.00 56.93 55.51 1fj2 s PHE 68 Cb 0.12 0.66 -0.06 0.00 -1.21 0.00 0.00 43.02 42.54 1fj2 s PHE 68 CO 0.80 -1.03 1.04 0.34 -1.34 0.00 0.00 175.22 175.03 1fj2 s ASP 69 N -2.89 6.12 -0.09 1.98 2.15 -1.26 -5.06 116.67 117.62 1fj2 s ASP 69 Ca 0.10 1.80 0.03 0.00 0.43 0.00 0.00 52.55 54.92 1fj2 s ASP 69 Cb -0.04 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.05 1fj2 s ASP 69 CO 0.03 -0.94 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.27 1fj2 s ILE 70 N -2.34 1.74 -0.19 4.11 -1.09 -1.26 -4.27 121.20 117.91 1fj2 s ILE 70 Ca 0.64 -0.83 0.11 0.00 -2.23 0.00 0.00 60.65 58.33 1fj2 s ILE 70 Cb -0.15 -1.53 -0.19 0.00 -1.58 0.00 0.00 42.46 39.01 1fj2 s ILE 70 CO 0.30 0.49 -0.03 -0.38 -1.23 0.00 0.00 174.94 174.09 1fj2 n ILE 71 N 3.67 1.23 -3.82 2.92 -0.00 -1.26 -1.11 119.36 120.99 1fj2 n ILE 71 Ca -0.20 -0.66 -0.08 0.00 -0.00 0.00 0.00 62.75 61.82 1fj2 n ILE 71 Cb 0.52 -0.80 0.03 0.00 -0.00 0.00 0.00 39.64 39.39 1fj2 n ILE 71 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1fj2 s GLY 72 N -5.52 0.36 -0.04 7.39 0.00 -1.26 -4.47 107.32 103.78 1fj2 s GLY 72 Ca -0.16 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 43.91 1fj2 s GLY 72 CO 0.65 0.40 1.01 1.04 0.00 0.00 0.00 173.10 176.20 1fj2 n LEU 73 N -0.59 1.86 -4.87 0.66 4.77 -1.26 -4.87 117.00 112.71 1fj2 n LEU 73 Ca -0.07 -2.14 -0.31 0.00 -0.03 0.00 0.00 56.01 53.45 1fj2 n LEU 73 Cb 0.60 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1fj2 n LEU 73 CO 0.26 0.52 0.71 -0.94 -1.33 0.00 0.00 177.39 176.61 1fj2 s SER 74 N -1.52 6.24 -0.05 -1.43 1.04 -1.26 -4.70 113.70 112.02 1fj2 s SER 74 Ca 0.10 1.40 0.10 0.00 0.48 0.00 0.00 55.95 58.03 1fj2 s SER 74 Cb 0.09 -2.46 0.37 0.00 0.10 0.00 0.00 66.02 64.11 1fj2 s SER 74 CO 0.01 -0.85 1.22 -0.81 0.98 0.00 0.00 173.24 173.78 1fj2 n PRO 75 N -2.71 2.33 0.22 4.02 -0.04 -1.26 -1.05 135.00 136.50 1fj2 n PRO 75 Ca 0.06 -1.45 0.12 0.00 -0.04 0.00 0.00 63.50 62.18 1fj2 n PRO 75 Cb 0.54 -1.54 0.26 0.00 -0.04 0.00 0.00 33.50 32.72 1fj2 n PRO 75 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1fj2 h ASP 76 N 2.13 0.00 -3.07 3.54 3.58 -1.99 -3.48 116.42 117.13 1fj2 h ASP 76 Ca 0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 1fj2 h ASP 76 Cb 0.81 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.89 1fj2 h ASP 76 CO 0.10 0.08 0.72 -0.44 -2.88 0.00 0.00 179.24 176.82 1fj2 s SER 77 N -6.15 6.82 0.46 2.28 0.01 -0.22 -4.95 113.70 111.96 1fj2 s SER 77 Ca 0.05 2.37 -0.25 0.00 1.31 0.00 0.00 55.95 59.43 1fj2 s SER 77 Cb 0.06 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 1fj2 s SER 77 CO 0.66 -0.64 1.40 -1.10 0.41 0.00 0.00 173.24 173.96 1fj2 s GLN 78 N 0.85 3.61 0.14 12.44 1.11 -1.26 -4.91 119.66 131.65 1fj2 s GLN 78 Ca 0.63 2.36 0.06 0.00 0.01 0.00 0.00 55.36 58.43 1fj2 s GLN 78 Cb -0.37 -2.59 -0.04 0.00 -1.01 0.00 0.00 33.01 29.00 1fj2 s GLN 78 CO 0.32 -0.86 -0.00 -1.21 0.01 0.00 0.00 175.29 173.55 1fj2 s GLU 79 N -2.52 2.45 -1.36 2.91 2.02 -1.26 -4.30 118.70 116.65 1fj2 s GLU 79 Ca 0.63 -1.01 -0.17 0.00 0.02 0.00 0.00 54.97 54.44 1fj2 s GLU 79 Cb -0.43 -2.42 0.06 0.00 0.10 0.00 0.00 34.13 31.44 1fj2 s GLU 79 CO 0.54 0.49 1.91 -3.47 0.02 0.00 0.00 175.26 174.75 1fj2 n ASP 80 N 0.13 4.56 -0.02 -0.19 2.03 -1.26 -4.82 116.55 116.97 1fj2 n ASP 80 Ca -0.10 -2.89 -0.11 0.00 0.52 0.00 0.00 54.79 52.21 1fj2 n ASP 80 Cb 0.54 -1.72 -0.05 0.00 -0.72 0.00 0.00 41.12 39.18 1fj2 n ASP 80 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1fj2 h GLU 81 N 7.00 0.19 -0.13 -0.67 4.81 -1.96 0.82 114.58 124.63 1fj2 h GLU 81 Ca 0.49 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.60 1fj2 h GLU 81 Cb 0.79 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1fj2 h GLU 81 CO 1.61 0.13 -0.40 0.66 -0.73 0.00 0.00 179.01 180.29 1fj2 h SER 82 N 0.18 0.31 1.01 1.04 4.64 -1.99 -0.51 113.55 118.23 1fj2 h SER 82 Ca 0.05 -0.13 -0.14 0.00 -0.47 0.00 0.00 61.79 61.11 1fj2 h SER 82 Cb -0.01 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1fj2 h SER 82 CO -0.01 0.68 -0.64 1.23 -0.87 0.00 0.00 176.83 177.21 1fj2 h GLY 83 N 1.18 0.00 0.77 -0.77 0.00 -1.77 -1.12 103.07 101.37 1fj2 h GLY 83 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1fj2 h GLY 83 CO 0.06 0.00 -0.03 -2.22 0.00 0.00 0.00 176.54 174.35 1fj2 h ILE 84 N 0.00 1.28 -0.58 2.60 2.04 -0.37 -1.27 117.51 121.21 1fj2 h ILE 84 Ca -0.01 -0.96 -0.07 0.00 1.00 0.00 0.00 64.86 64.82 1fj2 h ILE 84 Cb 1.32 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.97 1fj2 h ILE 84 CO 0.08 0.28 0.06 0.11 0.00 0.00 0.00 178.15 178.69 1fj2 h LYS 85 N 0.01 0.95 -0.38 2.37 1.57 -1.00 -0.61 116.57 119.48 1fj2 h LYS 85 Ca 0.04 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1fj2 h LYS 85 Cb 0.45 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1fj2 h LYS 85 CO 0.01 0.90 0.22 0.37 -0.57 0.00 0.00 179.45 180.38 1fj2 h GLN 86 N 0.89 0.52 -0.98 3.15 4.15 -1.14 -1.49 115.11 120.20 1fj2 h GLN 86 Ca 0.18 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.57 1fj2 h GLN 86 Cb 0.44 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 1fj2 h GLN 86 CO 0.01 0.41 0.64 0.00 -1.93 0.00 0.00 178.83 177.97 1fj2 h ALA 87 N 1.08 1.28 -0.51 3.38 0.00 -1.01 -1.53 119.26 121.95 1fj2 h ALA 87 Ca 0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1fj2 h ALA 87 Cb 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1fj2 h ALA 87 CO -0.02 0.56 0.06 0.00 0.00 0.00 0.00 179.25 179.85 1fj2 h ALA 88 N 1.39 0.68 -0.90 0.00 0.00 -0.86 -0.89 119.26 118.68 1fj2 h ALA 88 Ca 0.38 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1fj2 h ALA 88 Cb -0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 1fj2 h ALA 88 CO -0.11 0.44 0.56 0.93 0.00 0.00 0.00 179.25 181.07 1fj2 h GLU 89 N 0.74 0.96 -0.19 0.00 4.39 -0.81 0.33 114.58 120.00 1fj2 h GLU 89 Ca 0.15 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 1fj2 h GLU 89 Cb 0.43 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1fj2 h GLU 89 CO 0.01 0.63 -0.39 -0.91 -1.16 0.00 0.00 179.01 177.20 1fj2 h ASN 90 N 0.99 0.45 -0.40 1.42 2.35 -0.67 -1.92 115.58 117.80 1fj2 h ASN 90 Ca 0.41 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.88 1fj2 h ASN 90 Cb 0.25 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1fj2 h ASN 90 CO -0.20 0.80 -0.11 0.40 -1.65 0.00 0.00 177.43 176.67 1fj2 h ILE 91 N 0.36 1.28 -0.71 2.81 1.08 -0.81 -0.71 117.51 120.81 1fj2 h ILE 91 Ca 0.03 -1.21 0.11 0.00 -0.39 0.00 0.00 64.86 63.40 1fj2 h ILE 91 Cb 0.84 1.24 -0.05 0.00 -3.07 0.00 0.00 36.82 35.79 1fj2 h ILE 91 CO 0.07 0.40 0.47 0.11 -0.69 0.00 0.00 178.15 178.51 1fj2 h LYS 92 N 0.58 0.52 -0.18 2.37 1.57 -0.74 -0.04 116.57 120.66 1fj2 h LYS 92 Ca 0.10 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 1fj2 h LYS 92 Cb 0.64 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1fj2 h LYS 92 CO 0.04 0.35 -0.58 0.00 -0.57 0.00 0.00 179.45 178.69 1fj2 h ALA 93 N 1.65 0.66 -0.65 3.86 0.00 -0.88 -1.23 119.26 122.67 1fj2 h ALA 93 Ca 0.33 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1fj2 h ALA 93 Cb 0.56 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1fj2 h ALA 93 CO -0.11 0.70 0.24 1.25 0.00 0.00 0.00 179.25 181.32 1fj2 h LEU 94 N 0.43 0.93 0.15 0.00 5.85 -0.44 -0.73 115.31 121.49 1fj2 h LEU 94 Ca 0.00 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1fj2 h LEU 94 Cb 1.13 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1fj2 h LEU 94 CO 0.11 0.86 -0.19 0.40 -0.34 0.00 0.00 178.44 179.28 1fj2 h ILE 95 N 0.93 0.58 -0.67 4.05 2.04 -0.89 -1.38 117.51 122.17 1fj2 h ILE 95 Ca 0.22 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.20 1fj2 h ILE 95 Cb 0.25 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1fj2 h ILE 95 CO -0.01 0.00 0.23 -0.78 0.00 0.00 0.00 178.15 177.58 1fj2 h ASP 96 N -0.39 0.17 -0.75 1.72 3.58 -1.11 0.42 116.42 120.08 1fj2 h ASP 96 Ca 0.01 0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.62 1fj2 h ASP 96 Cb 0.38 0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.48 1fj2 h ASP 96 CO -0.08 0.08 0.45 1.56 -2.88 0.00 0.00 179.24 178.37 1fj2 h GLN 97 N 0.38 0.82 -0.32 0.28 4.20 -0.80 0.11 115.11 119.78 1fj2 h GLN 97 Ca 0.36 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.91 1fj2 h GLN 97 Cb 0.52 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1fj2 h GLN 97 CO -0.38 0.54 -0.27 0.93 -0.67 0.00 0.00 178.83 178.98 1fj2 h GLU 98 N 0.85 0.64 0.07 1.46 4.39 -0.11 -0.19 114.58 121.69 1fj2 h GLU 98 Ca 0.32 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1fj2 h GLU 98 Cb 0.12 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1fj2 h GLU 98 CO -0.15 0.85 -0.03 0.28 -1.16 0.00 0.00 179.01 178.79 1fj2 h VAL 99 N 0.56 1.09 0.00 3.13 2.07 -0.54 -1.95 116.25 120.62 1fj2 h VAL 99 Ca 0.07 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1fj2 h VAL 99 Cb 0.75 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1fj2 h VAL 99 CO 0.06 0.14 -0.01 0.11 0.02 0.00 0.00 177.57 177.89 1fj2 h LYS 100 N -0.35 0.00 -0.05 1.57 1.57 -0.64 0.07 116.57 118.74 1fj2 h LYS 100 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1fj2 h LYS 100 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1fj2 h LYS 100 CO 0.02 0.01 0.00 0.09 -0.57 0.00 0.00 179.45 179.00 1fj2 n ASN 101 N -3.40 1.77 0.00 0.86 3.02 -0.10 -4.95 115.26 112.46 1fj2 n ASN 101 Ca -0.03 -1.61 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 1fj2 n ASN 101 Cb 0.11 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1fj2 n ASN 101 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fj2 n GLY 102 N 1.20 0.90 3.52 7.41 0.00 0.01 -5.05 105.19 113.17 1fj2 n GLY 102 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1fj2 n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fj2 s ILE 103 N -0.24 5.19 0.38 -0.61 1.01 -0.91 -4.99 121.20 121.03 1fj2 s ILE 103 Ca 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.25 1fj2 s ILE 103 Cb 0.00 -3.86 -0.13 0.00 0.01 0.00 0.00 42.46 38.49 1fj2 s ILE 103 CO 0.00 -0.17 0.66 -2.65 0.00 0.00 0.00 174.94 172.79 1fj2 n PRO 104 N 5.34 0.72 0.22 2.79 -0.02 -1.26 -3.52 135.00 139.27 1fj2 n PRO 104 Ca -0.10 0.26 0.05 0.00 -2.02 0.00 0.00 63.50 61.69 1fj2 n PRO 104 Cb 0.49 -1.57 0.48 0.00 -0.02 0.00 0.00 33.50 32.88 1fj2 n PRO 104 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1fj2 h SER 105 N 1.07 0.00 0.00 2.55 4.64 -1.94 0.47 113.55 120.34 1fj2 h SER 105 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1fj2 h SER 105 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1fj2 h SER 105 CO 0.54 0.23 0.00 -0.46 -0.87 0.00 0.00 176.83 176.27 1fj2 n ASN 106 N -4.21 0.00 -1.21 4.97 2.04 -0.96 -1.08 115.26 114.80 1fj2 n ASN 106 Ca -0.02 -1.50 0.01 0.00 -0.44 0.00 0.00 54.58 52.63 1fj2 n ASN 106 Cb 0.29 0.00 0.25 0.00 -2.53 0.00 0.00 39.78 37.79 1fj2 n ASN 106 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1fj2 n ARG 107 N -0.71 2.73 -4.46 -3.83 5.12 0.15 -4.21 116.66 111.45 1fj2 n ARG 107 Ca 0.09 -3.00 -0.31 0.00 -1.93 0.00 0.00 57.85 52.70 1fj2 n ARG 107 Cb 0.04 -1.92 -0.16 0.00 -1.16 0.00 0.00 32.46 29.26 1fj2 n ARG 107 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1fj2 s ILE 108 N -3.00 1.89 -0.10 0.55 1.01 -0.24 -1.16 121.20 120.14 1fj2 s ILE 108 Ca 0.46 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 60.11 1fj2 s ILE 108 Cb 0.38 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 1fj2 s ILE 108 CO 0.07 0.52 0.32 -0.63 0.00 0.00 0.00 174.94 175.21 1fj2 s ILE 109 N 1.00 5.24 -0.10 2.92 1.01 -0.31 -0.07 121.20 130.88 1fj2 s ILE 109 Ca -0.04 0.61 -0.01 0.00 0.00 0.00 0.00 60.65 61.22 1fj2 s ILE 109 Cb -0.15 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1fj2 s ILE 109 CO -0.05 0.49 -0.07 -0.22 0.00 0.00 0.00 174.94 175.09 1fj2 s LEU 110 N -0.30 3.10 0.34 2.97 2.96 -0.71 -0.59 118.68 126.44 1fj2 s LEU 110 Ca 0.19 -0.11 -0.18 0.00 -0.22 0.00 0.00 54.13 53.81 1fj2 s LEU 110 Cb -0.14 -1.70 0.04 0.00 0.50 0.00 0.00 46.19 44.89 1fj2 s LEU 110 CO 0.07 0.27 0.76 -0.83 -1.32 0.00 0.00 176.35 175.30 1fj2 s GLY 111 N -0.26 0.16 -0.00 7.98 0.00 -0.24 -2.22 107.32 112.74 1fj2 s GLY 111 Ca 0.03 -0.55 -0.19 0.00 0.00 0.00 0.00 44.72 44.02 1fj2 s GLY 111 CO 0.03 -0.20 0.85 0.61 0.00 0.00 0.00 173.10 174.38 1fj2 n GLY 112 N -0.50 0.40 3.29 0.20 0.00 -0.69 -0.16 105.19 107.72 1fj2 n GLY 112 Ca -0.06 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 1fj2 n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fj2 s PHE 113 N -2.46 2.52 0.00 1.61 5.36 -0.49 -0.77 117.98 123.75 1fj2 s PHE 113 Ca 0.20 -0.73 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 1fj2 s PHE 113 Cb -0.01 -1.65 0.00 0.00 -0.34 0.00 0.00 43.02 41.03 1fj2 s PHE 113 CO -0.00 -0.22 0.00 0.45 -1.46 0.00 0.00 175.22 173.99 1fj2 n SER 114 N 3.06 0.00 0.23 6.13 2.88 -0.07 -0.75 113.62 125.11 1fj2 n SER 114 Ca -0.18 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.53 1fj2 n SER 114 Cb 0.52 0.00 0.85 0.00 -0.75 0.00 0.00 64.21 64.83 1fj2 n SER 114 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1fj2 h GLN 115 N 0.00 0.00 0.00 -1.46 3.07 -1.86 0.93 115.11 115.80 1fj2 h GLN 115 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.62 1fj2 h GLN 115 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 1fj2 h GLN 115 CO 0.00 0.00 -0.59 0.78 0.09 0.00 0.00 178.83 179.11 1fj2 h GLY 116 N 0.00 0.00 1.12 0.06 0.00 -0.79 0.90 103.07 104.35 1fj2 h GLY 116 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 1fj2 h GLY 116 CO -0.00 0.00 -0.64 -1.33 0.00 0.00 0.00 176.54 174.57 1fj2 h GLY 117 N 2.12 0.87 0.88 4.60 0.00 -0.80 -0.65 103.07 110.09 1fj2 h GLY 117 Ca -0.01 -1.13 0.02 0.00 0.00 0.00 0.00 47.33 46.22 1fj2 h GLY 117 CO 0.08 1.01 0.34 0.00 0.00 0.00 0.00 176.54 177.97 1fj2 h ALA 118 N 0.59 0.72 -0.52 3.60 0.00 -0.81 -0.74 119.26 122.10 1fj2 h ALA 118 Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1fj2 h ALA 118 Cb 1.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1fj2 h ALA 118 CO 0.14 0.06 0.12 1.25 0.00 0.00 0.00 179.25 180.82 1fj2 h LEU 119 N 0.67 0.73 -0.49 0.00 5.85 -0.70 -1.72 115.31 119.66 1fj2 h LEU 119 Ca 0.22 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1fj2 h LEU 119 Cb 0.02 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1fj2 h LEU 119 CO -0.09 0.72 0.16 0.28 -0.34 0.00 0.00 178.44 179.17 1fj2 h SER 120 N 0.76 0.70 0.05 1.25 0.02 -0.46 0.19 113.55 116.07 1fj2 h SER 120 Ca 0.17 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1fj2 h SER 120 Cb 0.28 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1fj2 h SER 120 CO -0.00 0.71 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.26 1fj2 h LEU 121 N 0.65 -0.20 -0.28 5.07 3.38 -0.95 0.44 115.31 123.44 1fj2 h LEU 121 Ca 0.16 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.19 1fj2 h LEU 121 Cb 0.26 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1fj2 h LEU 121 CO -0.01 -0.11 0.04 0.22 0.09 0.00 0.00 178.44 178.67 1fj2 h TYR 122 N -0.15 0.06 0.14 1.13 3.20 -1.16 0.02 116.97 120.20 1fj2 h TYR 122 Ca 0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1fj2 h TYR 122 Cb 0.16 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1fj2 h TYR 122 CO -0.12 0.00 -0.07 1.15 -1.64 0.00 0.00 178.16 177.49 1fj2 h THR 123 N 0.13 0.87 -0.63 1.81 2.02 -0.88 -2.35 112.91 113.89 1fj2 h THR 123 Ca 0.13 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1fj2 h THR 123 Cb 0.15 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1fj2 h THR 123 CO -0.19 0.01 0.28 0.00 0.37 0.00 0.00 175.52 175.99 1fj2 h ALA 124 N 0.66 1.31 0.00 6.16 0.00 -0.64 -0.73 119.26 126.02 1fj2 h ALA 124 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1fj2 h ALA 124 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1fj2 h ALA 124 CO 0.03 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.09 1fj2 n LEU 125 N -4.33 0.00 -0.01 0.00 4.77 -0.03 -3.67 117.00 113.72 1fj2 n LEU 125 Ca 0.06 0.34 0.01 0.00 -0.03 0.00 0.00 56.01 56.38 1fj2 n LEU 125 Cb 0.15 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1fj2 n LEU 125 CO 0.39 -0.03 0.05 0.35 -1.33 0.00 0.00 177.39 176.81 1fj2 n THR 126 N -1.34 0.00 -3.29 -5.08 -2.24 -0.90 -4.90 114.28 96.54 1fj2 n THR 126 Ca 0.11 -0.47 -0.33 0.00 -2.27 0.00 0.00 64.05 61.09 1fj2 n THR 126 Cb 0.24 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 1fj2 n THR 126 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1fj2 s THR 127 N -0.97 4.80 -1.44 4.28 -1.32 -0.32 -4.98 115.64 115.69 1fj2 s THR 127 Ca 0.01 0.76 0.29 0.00 -1.21 0.00 0.00 61.69 61.53 1fj2 s THR 127 Cb 0.01 -3.65 0.39 0.00 -1.51 0.00 0.00 72.50 67.74 1fj2 s THR 127 CO 0.05 -0.04 1.87 0.00 -2.21 0.00 0.00 174.62 174.29 1fj2 n GLN 128 N 0.01 0.47 -1.85 7.08 1.13 -1.26 -4.26 117.38 118.69 1fj2 n GLN 128 Ca 0.00 -0.13 -0.42 0.00 -1.94 0.00 0.00 57.00 54.51 1fj2 n GLN 128 Cb 0.52 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 1fj2 n GLN 128 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1fj2 s GLN 129 N -2.62 3.89 -0.09 -1.09 -0.21 -1.26 -4.61 119.66 113.67 1fj2 s GLN 129 Ca 0.25 2.18 -0.30 0.00 0.02 0.00 0.00 55.36 57.51 1fj2 s GLN 129 Cb 0.20 -4.13 -0.03 0.00 1.00 0.00 0.00 33.01 30.05 1fj2 s GLN 129 CO 0.50 -1.22 1.21 0.21 -2.12 0.00 0.00 175.29 173.88 1fj2 s LYS 130 N 4.75 4.32 0.28 2.91 2.20 -1.26 -4.75 119.74 128.19 1fj2 s LYS 130 Ca 0.83 1.66 0.09 0.00 -0.36 0.00 0.00 55.97 58.20 1fj2 s LYS 130 Cb -0.34 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 1fj2 s LYS 130 CO 0.35 -0.52 0.03 -0.51 -0.36 0.00 0.00 175.35 174.33 1fj2 s LEU 131 N 2.58 3.21 0.40 5.43 1.43 -1.26 -2.27 118.68 128.20 1fj2 s LEU 131 Ca 0.55 -0.67 0.21 0.00 -1.03 0.00 0.00 54.13 53.19 1fj2 s LEU 131 Cb -0.24 -1.72 0.36 0.00 0.03 0.00 0.00 46.19 44.62 1fj2 s LEU 131 CO 0.20 -0.06 1.60 0.00 0.23 0.00 0.00 176.35 178.31 1fj2 h ALA 132 N 1.81 0.90 0.00 4.21 0.00 -0.54 -3.46 119.26 122.18 1fj2 h ALA 132 Ca -0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1fj2 h ALA 132 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1fj2 h ALA 132 CO 0.61 0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1fj2 n GLY 133 N 1.00 -0.09 2.98 0.00 0.00 -1.26 -4.49 105.19 103.33 1fj2 n GLY 133 Ca 0.03 -1.15 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 1fj2 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fj2 s VAL 134 N -2.00 0.66 -0.29 1.61 1.01 -0.54 -1.74 120.40 119.12 1fj2 s VAL 134 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1fj2 s VAL 134 Cb 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.82 1fj2 s VAL 134 CO 0.00 0.21 0.02 0.42 0.00 0.00 0.00 175.10 175.75 1fj2 s THR 135 N 0.20 3.27 -0.35 3.92 -4.23 -0.94 -1.28 115.64 116.22 1fj2 s THR 135 Ca -0.03 -1.12 -0.03 0.00 -1.18 0.00 0.00 61.69 59.33 1fj2 s THR 135 Cb -0.08 -2.78 0.07 0.00 1.34 0.00 0.00 72.50 71.05 1fj2 s THR 135 CO 0.00 -0.00 0.10 0.00 -0.54 0.00 0.00 174.62 174.18 1fj2 s ALA 136 N 1.34 2.99 -0.23 3.99 0.00 0.24 -1.71 121.76 128.39 1fj2 s ALA 136 Ca -0.02 -2.04 -0.08 0.00 0.00 0.00 0.00 51.96 49.82 1fj2 s ALA 136 Cb -0.18 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1fj2 s ALA 136 CO -0.01 -1.48 0.08 -0.51 0.00 0.00 0.00 175.76 173.85 1fj2 s LEU 137 N 1.25 3.62 -1.12 0.00 1.43 0.05 -1.36 118.68 122.55 1fj2 s LEU 137 Ca 0.00 -0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 1fj2 s LEU 137 Cb -0.21 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1fj2 s LEU 137 CO -0.01 0.03 0.79 -1.20 0.23 0.00 0.00 176.35 176.18 1fj2 n SER 138 N 4.52 -5.36 -0.22 2.29 7.64 0.20 -0.89 113.62 121.80 1fj2 n SER 138 Ca -0.16 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.71 1fj2 n SER 138 Cb 0.52 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 60.39 1fj2 n SER 138 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fj2 s TRP 140 N -2.78 -0.07 -0.35 0.00 -2.14 -1.26 -3.71 118.94 108.63 1fj2 s TRP 140 Ca 0.00 -0.26 -0.25 0.00 2.66 0.00 0.00 56.10 58.25 1fj2 s TRP 140 Cb 0.00 0.12 0.01 0.00 -3.10 0.00 0.00 33.47 30.50 1fj2 s TRP 140 CO 0.00 -0.61 0.87 -1.17 -2.66 0.00 0.00 176.95 173.38 1fj2 s LEU 141 N -2.70 4.05 0.50 -4.66 2.96 -1.26 -3.99 118.68 113.58 1fj2 s LEU 141 Ca 0.02 0.58 -0.22 0.00 -0.22 0.00 0.00 54.13 54.29 1fj2 s LEU 141 Cb 0.02 -3.18 -0.06 0.00 0.50 0.00 0.00 46.19 43.47 1fj2 s LEU 141 CO -0.10 -0.77 1.25 -2.84 -1.32 0.00 0.00 176.35 172.57 1fj2 s PRO 142 N 3.27 3.46 -1.36 0.98 0.02 -1.26 -3.67 135.00 136.45 1fj2 s PRO 142 Ca 0.36 1.98 -0.07 0.00 0.02 0.00 0.00 61.00 63.29 1fj2 s PRO 142 Cb -0.13 -2.33 0.02 0.00 0.02 0.00 0.00 34.50 32.09 1fj2 s PRO 142 CO 0.16 -0.85 1.05 1.28 -0.33 0.00 0.00 177.00 178.31 1fj2 n LEU 143 N -0.76 -3.32 0.15 -5.54 4.77 -1.26 -4.84 117.00 106.20 1fj2 n LEU 143 Ca 0.09 -0.64 0.01 0.00 -0.03 0.00 0.00 56.01 55.44 1fj2 n LEU 143 Cb 0.47 -2.91 0.34 0.00 -2.33 0.00 0.00 43.42 38.98 1fj2 n LEU 143 CO 0.50 0.53 0.75 0.08 -1.33 0.00 0.00 177.39 177.92 1fj2 h ARG 144 N -2.31 0.12 0.00 3.23 0.11 -1.98 -1.48 114.38 112.06 1fj2 h ARG 144 Ca -0.58 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 59.45 1fj2 h ARG 144 Cb 1.36 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.43 1fj2 h ARG 144 CO 0.57 0.43 -0.05 0.00 0.10 0.00 0.00 179.97 181.02 1fj2 h ALA 145 N 1.58 1.00 0.00 0.08 0.00 -1.92 -2.46 119.26 117.54 1fj2 h ALA 145 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1fj2 h ALA 145 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fj2 h ALA 145 CO 0.04 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 1fj2 n SER 146 N -3.15 0.00 -4.57 0.00 3.41 -0.56 -4.61 113.62 104.14 1fj2 n SER 146 Ca 0.01 0.47 -0.42 0.00 -0.26 0.00 0.00 58.87 58.67 1fj2 n SER 146 Cb 0.36 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 1fj2 n SER 146 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1fj2 s PHE 147 N -2.98 3.17 0.22 7.33 0.40 -0.93 -5.04 117.98 120.15 1fj2 s PHE 147 Ca 0.11 0.34 -0.28 0.00 -0.60 0.00 0.00 56.93 56.50 1fj2 s PHE 147 Cb 0.14 -3.07 -0.16 0.00 0.51 0.00 0.00 43.02 40.44 1fj2 s PHE 147 CO 0.38 -0.58 0.64 -2.30 0.70 0.00 0.00 175.22 174.05 1fj2 n PRO 148 N 5.95 0.31 -0.86 0.24 -0.02 -1.26 -4.91 135.00 134.44 1fj2 n PRO 148 Ca -0.02 0.11 -0.31 0.00 -2.02 0.00 0.00 63.50 61.25 1fj2 n PRO 148 Cb 0.49 -1.20 0.15 0.00 -0.02 0.00 0.00 33.50 32.92 1fj2 n PRO 148 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1fj2 s GLN 149 N -1.11 1.31 0.00 -0.52 -0.21 -1.26 -4.76 119.66 113.10 1fj2 s GLN 149 Ca 0.63 1.54 0.00 0.00 0.02 0.00 0.00 55.36 57.55 1fj2 s GLN 149 Cb -0.88 -1.76 0.00 0.00 1.00 0.00 0.00 33.01 31.37 1fj2 s GLN 149 CO 0.57 -2.41 0.00 0.41 -2.12 0.00 0.00 175.29 171.73 1fj2 n GLY 150 N 0.07 0.18 3.77 3.09 0.00 -1.26 -5.00 105.19 106.05 1fj2 n GLY 150 Ca 0.12 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1fj2 n GLY 150 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1fj2 s PRO 151 N -3.28 3.88 0.54 1.61 0.02 -1.15 -4.39 135.00 132.23 1fj2 s PRO 151 Ca 0.00 2.51 -0.21 0.00 0.02 0.00 0.00 61.00 63.33 1fj2 s PRO 151 Cb 0.00 -2.80 -0.05 0.00 0.02 0.00 0.00 34.50 31.67 1fj2 s PRO 151 CO 0.00 -0.70 1.22 0.96 -0.33 0.00 0.00 177.00 178.15 1fj2 s ILE 152 N -1.16 2.71 -0.86 2.83 -4.36 0.14 -4.93 121.20 115.56 1fj2 s ILE 152 Ca 0.57 0.48 0.25 0.00 -0.26 0.00 0.00 60.65 61.70 1fj2 s ILE 152 Cb -0.45 -3.22 0.07 0.00 1.25 0.00 0.00 42.46 40.10 1fj2 s ILE 152 CO 0.60 -0.05 1.47 0.61 0.24 0.00 0.00 174.94 177.81 1fj2 n GLY 153 N 0.50 -1.36 0.00 6.27 0.00 -1.26 -4.66 105.19 104.67 1fj2 n GLY 153 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1fj2 n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fj2 n GLY 154 N 1.43 0.12 0.37 -0.02 0.00 -1.26 -4.92 105.19 100.91 1fj2 n GLY 154 Ca 0.05 -1.84 0.19 0.00 0.00 0.00 0.00 46.02 44.42 1fj2 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fj2 h ALA 155 N -1.10 2.15 -0.63 4.61 0.00 -1.82 -2.94 119.26 119.53 1fj2 h ALA 155 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1fj2 h ALA 155 Cb 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.66 1fj2 h ALA 155 CO 0.00 -0.52 0.24 0.09 0.00 0.00 0.00 179.25 179.05 1fj2 n ASN 156 N -4.00 3.73 0.32 0.00 3.02 -1.26 -4.59 115.26 112.48 1fj2 n ASN 156 Ca 0.06 -3.46 0.18 0.00 -0.03 0.00 0.00 54.58 51.33 1fj2 n ASN 156 Cb 0.51 -0.71 1.05 0.00 -0.61 0.00 0.00 39.78 40.02 1fj2 n ASN 156 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1fj2 h ARG 157 N 1.62 0.00 -0.13 3.52 0.11 -1.79 -1.46 114.38 116.25 1fj2 h ARG 157 Ca 0.32 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.36 1fj2 h ARG 157 Cb 2.17 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 33.23 1fj2 h ARG 157 CO 0.67 0.00 -0.11 -3.47 0.10 0.00 0.00 179.97 177.16 1fj2 n ASP 158 N -3.51 2.65 -4.78 0.08 2.03 -1.26 -1.93 116.55 109.82 1fj2 n ASP 158 Ca -0.03 -3.35 -0.37 0.00 0.52 0.00 0.00 54.79 51.56 1fj2 n ASP 158 Cb 0.08 -0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.94 1fj2 n ASP 158 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1fj2 s ILE 159 N -3.00 3.37 0.08 5.18 2.07 -0.55 -4.89 121.20 123.45 1fj2 s ILE 159 Ca 0.38 1.03 -0.24 0.00 -1.41 0.00 0.00 60.65 60.41 1fj2 s ILE 159 Cb 0.34 -3.52 -0.06 0.00 0.13 0.00 0.00 42.46 39.34 1fj2 s ILE 159 CO 0.02 -0.02 0.74 -0.44 -1.91 0.00 0.00 174.94 173.33 1fj2 s SER 160 N -1.47 7.23 -0.08 4.50 0.01 -1.26 -4.75 113.70 117.88 1fj2 s SER 160 Ca 0.62 1.46 0.01 0.00 1.31 0.00 0.00 55.95 59.35 1fj2 s SER 160 Cb -0.25 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.54 1fj2 s SER 160 CO 0.31 0.10 -0.09 -0.63 0.41 0.00 0.00 173.24 173.34 1fj2 s ILE 161 N -0.49 0.99 -0.25 1.44 1.01 -0.32 -1.46 121.20 122.11 1fj2 s ILE 161 Ca 0.36 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.58 1fj2 s ILE 161 Cb -0.21 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 1fj2 s ILE 161 CO 0.23 0.34 0.09 -0.22 0.00 0.00 0.00 174.94 175.38 1fj2 s LEU 162 N 1.04 3.56 -0.12 2.97 2.96 -0.41 -1.02 118.68 127.68 1fj2 s LEU 162 Ca -0.08 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1fj2 s LEU 162 Cb -0.15 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1fj2 s LEU 162 CO -0.01 -0.03 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.39 1fj2 s GLN 163 N 1.59 3.27 0.07 1.98 2.00 0.75 -0.59 119.66 128.73 1fj2 s GLN 163 Ca 0.06 -0.47 0.07 0.00 -2.00 0.00 0.00 55.36 53.02 1fj2 s GLN 163 Cb -0.15 -2.83 -0.03 0.00 0.80 0.00 0.00 33.01 30.80 1fj2 s GLN 163 CO 0.05 0.49 -0.19 0.00 -0.50 0.00 0.00 175.29 175.13 1fj2 s HIS 165 N -1.00 -0.42 0.32 0.00 2.46 -0.31 -0.63 115.29 115.71 1fj2 s HIS 165 Ca 0.05 0.84 -0.19 0.00 0.47 0.00 0.00 55.06 56.24 1fj2 s HIS 165 Cb -0.09 0.20 -0.09 0.00 -0.13 0.00 0.00 32.58 32.46 1fj2 s HIS 165 CO 0.03 -0.39 0.81 0.20 -2.47 0.00 0.00 174.74 172.92 1fj2 s GLY 166 N -0.71 2.48 0.00 1.59 0.00 -1.26 -1.60 107.32 107.81 1fj2 s GLY 166 Ca -0.08 0.22 0.29 0.00 0.00 0.00 0.00 44.72 45.15 1fj2 s GLY 166 CO 0.04 0.51 1.87 2.09 0.00 0.00 0.00 173.10 177.61 1fj2 n ASP 167 N -0.03 0.81 -1.81 1.64 5.68 -0.89 -3.72 116.55 118.22 1fj2 n ASP 167 Ca 0.03 -1.05 -0.20 0.00 -0.50 0.00 0.00 54.79 53.07 1fj2 n ASP 167 Cb 0.52 -0.01 0.06 0.00 -1.14 0.00 0.00 41.12 40.55 1fj2 n ASP 167 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1fj2 s ASP 169 N -3.41 6.43 0.17 0.00 -1.08 -1.24 -4.25 116.67 113.29 1fj2 s ASP 169 Ca 0.50 -0.04 0.23 0.00 -0.52 0.00 0.00 52.55 52.72 1fj2 s ASP 169 Cb 0.41 -2.38 0.90 0.00 -1.46 0.00 0.00 42.92 40.39 1fj2 s ASP 169 CO 0.02 -0.87 1.71 -0.81 0.52 0.00 0.00 175.17 175.74 1fj2 n PRO 170 N 6.62 0.16 -0.08 4.34 -0.04 -1.26 -4.27 135.00 140.47 1fj2 n PRO 170 Ca 0.02 0.30 -0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1fj2 n PRO 170 Cb 0.48 -1.75 -0.04 0.00 -0.04 0.00 0.00 33.50 32.15 1fj2 n PRO 170 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fj2 n LEU 171 N -2.04 1.75 -4.35 1.53 4.77 -1.26 -4.86 117.00 112.54 1fj2 n LEU 171 Ca 0.04 0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.88 1fj2 n LEU 171 Cb 0.28 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 1fj2 n LEU 171 CO 0.22 -0.15 -0.02 -0.69 -1.33 0.00 0.00 177.39 175.42 1fj2 s VAL 172 N -2.67 4.89 0.45 4.08 1.01 -1.26 -4.81 120.40 122.10 1fj2 s VAL 172 Ca -0.26 -1.16 -0.24 0.00 0.00 0.00 0.00 61.98 60.32 1fj2 s VAL 172 Cb 0.06 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 1fj2 s VAL 172 CO 0.37 -0.54 1.19 -2.65 0.00 0.00 0.00 175.10 173.46 1fj2 n PRO 173 N 5.10 1.66 -0.34 2.72 -0.02 -1.26 -4.71 135.00 138.16 1fj2 n PRO 173 Ca -0.12 0.60 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 1fj2 n PRO 173 Cb 0.44 -2.30 0.32 0.00 -0.02 0.00 0.00 33.50 31.93 1fj2 n PRO 173 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1fj2 h LEU 174 N 1.73 0.67 -1.24 2.45 5.85 -1.81 0.13 115.31 123.09 1fj2 h LEU 174 Ca -0.47 0.11 0.19 0.00 0.84 0.00 0.00 57.88 58.55 1fj2 h LEU 174 Cb 1.31 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.26 1fj2 h LEU 174 CO 0.58 0.20 0.61 -0.03 -0.34 0.00 0.00 178.44 179.46 1fj2 h MET 175 N 0.67 0.61 -0.46 1.25 4.05 -1.96 0.21 114.93 119.30 1fj2 h MET 175 Ca 0.57 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.85 1fj2 h MET 175 Cb 0.95 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 1fj2 h MET 175 CO -0.42 0.40 -0.13 0.35 0.23 0.00 0.00 176.91 177.35 1fj2 h PHE 176 N 0.62 0.94 -0.39 1.39 -0.00 -1.08 0.22 116.94 118.65 1fj2 h PHE 176 Ca 0.52 -0.19 0.01 0.00 -0.00 0.00 0.00 57.97 58.32 1fj2 h PHE 176 Cb 0.99 -0.24 -0.02 0.00 -0.00 0.00 0.00 35.95 36.68 1fj2 h PHE 176 CO -0.00 0.92 0.23 0.78 -0.00 0.00 0.00 178.31 180.24 1fj2 h GLY 177 N 0.97 0.54 0.95 2.40 0.00 -1.06 -1.27 103.07 105.59 1fj2 h GLY 177 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1fj2 h GLY 177 CO 0.04 0.16 0.09 1.76 0.00 0.00 0.00 176.54 178.59 1fj2 h SER 178 N 0.47 0.20 0.17 0.19 0.02 -0.48 -1.13 113.55 112.99 1fj2 h SER 178 Ca 0.15 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1fj2 h SER 178 Cb -0.01 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1fj2 h SER 178 CO -0.06 0.21 -0.23 0.17 -1.14 0.00 0.00 176.83 175.78 1fj2 h LEU 179 N 0.16 0.11 -0.26 5.07 8.10 -0.55 -2.53 115.31 125.42 1fj2 h LEU 179 Ca 0.06 -0.03 -0.05 0.00 0.11 0.00 0.00 57.88 57.96 1fj2 h LEU 179 Cb 0.06 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.24 1fj2 h LEU 179 CO -0.01 0.35 -0.05 0.74 -4.11 0.00 0.00 178.44 175.37 1fj2 h THR 180 N 0.11 1.28 -0.90 0.15 2.02 -0.87 -2.36 112.91 112.34 1fj2 h THR 180 Ca 0.02 -1.03 0.08 0.00 0.77 0.00 0.00 66.41 66.25 1fj2 h THR 180 Cb 0.47 1.44 -0.07 0.00 -1.74 0.00 0.00 68.15 68.25 1fj2 h THR 180 CO 0.03 0.32 0.55 1.62 0.37 0.00 0.00 175.52 178.42 1fj2 h VAL 181 N 0.24 0.99 -0.68 3.16 3.04 -1.06 0.18 116.25 122.12 1fj2 h VAL 181 Ca 0.07 -0.33 -0.04 0.00 -1.01 0.00 0.00 66.70 65.39 1fj2 h VAL 181 Cb 0.50 -0.05 -0.03 0.00 -2.01 0.00 0.00 31.29 29.70 1fj2 h VAL 181 CO 0.02 0.17 0.27 -0.08 -1.01 0.00 0.00 177.57 176.94 1fj2 h GLU 182 N 0.96 1.02 -0.24 4.17 4.81 -1.31 -0.52 114.58 123.47 1fj2 h GLU 182 Ca 0.41 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1fj2 h GLU 182 Cb 0.28 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1fj2 h GLU 182 CO -0.21 0.85 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.59 1fj2 h LYS 183 N 0.97 0.49 -0.44 1.92 1.63 -0.89 -2.89 116.57 117.36 1fj2 h LYS 183 Ca 0.23 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1fj2 h LYS 183 Cb 0.22 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1fj2 h LYS 183 CO -0.02 0.76 0.20 -0.07 -3.45 0.00 0.00 179.45 176.87 1fj2 h LEU 184 N 0.21 0.55 -1.15 5.20 3.38 -0.33 -0.58 115.31 122.58 1fj2 h LEU 184 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1fj2 h LEU 184 Cb 0.61 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1fj2 h LEU 184 CO 0.03 0.48 0.00 0.11 0.09 0.00 0.00 178.44 179.15 1fj2 h LYS 185 N 0.61 0.00 0.00 1.13 1.57 -0.88 -1.37 116.57 117.63 1fj2 h LYS 185 Ca 0.15 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 1fj2 h LYS 185 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1fj2 h LYS 185 CO -0.02 0.00 -1.08 1.79 -0.57 0.00 0.00 179.45 179.57 1fj2 h THR 186 N 0.00 0.75 0.00 -0.16 1.35 -1.05 -3.37 112.91 110.43 1fj2 h THR 186 Ca 0.00 -2.23 -0.27 0.00 -0.55 0.00 0.00 66.41 63.36 1fj2 h THR 186 Cb 0.31 2.26 -0.05 0.00 -1.73 0.00 0.00 68.15 68.94 1fj2 h THR 186 CO 0.00 0.43 -1.84 0.18 -0.25 0.00 0.00 175.52 174.04 1fj2 n LEU 187 N -3.05 0.59 -4.46 3.87 4.77 -0.60 -2.95 117.00 115.18 1fj2 n LEU 187 Ca -0.05 0.27 -0.23 0.00 -0.03 0.00 0.00 56.01 55.98 1fj2 n LEU 187 Cb 0.82 0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 42.05 1fj2 n LEU 187 CO 0.43 0.34 -0.23 0.68 -1.33 0.00 0.00 177.39 177.28 1fj2 s VAL 188 N -2.69 0.77 -0.11 4.08 -7.23 -0.73 -0.68 120.40 113.81 1fj2 s VAL 188 Ca -0.06 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.82 1fj2 s VAL 188 Cb 0.08 -2.55 -0.06 0.00 0.56 0.00 0.00 36.38 34.41 1fj2 s VAL 188 CO 0.83 0.00 2.01 0.21 -0.31 0.00 0.00 175.10 177.84 1fj2 s ASN 189 N -3.51 6.03 0.58 4.85 3.84 -0.81 -4.66 114.94 121.25 1fj2 s ASN 189 Ca 0.31 2.17 0.28 0.00 0.21 0.00 0.00 52.86 55.83 1fj2 s ASN 189 Cb 0.05 -2.52 1.74 0.00 -0.55 0.00 0.00 41.25 39.97 1fj2 s ASN 189 CO 0.15 -1.46 2.24 1.55 -2.79 0.00 0.00 177.10 176.78 1fj2 h PRO 190 N 12.45 0.00 0.00 0.43 0.13 -1.87 -2.59 132.00 140.56 1fj2 h PRO 190 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1fj2 h PRO 190 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1fj2 h PRO 190 CO 0.96 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 1fj2 h ALA 191 N 1.99 1.00 -0.57 -0.56 0.00 -1.94 -2.38 119.26 116.80 1fj2 h ALA 191 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fj2 h ALA 191 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1fj2 h ALA 191 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1fj2 n ASN 192 N -3.02 3.78 -4.56 0.00 3.02 -0.97 -4.90 115.26 108.60 1fj2 n ASN 192 Ca -0.01 -2.14 -0.38 0.00 -0.03 0.00 0.00 54.58 52.02 1fj2 n ASN 192 Cb 0.17 -0.43 -0.11 0.00 -0.61 0.00 0.00 39.78 38.80 1fj2 n ASN 192 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fj2 s VAL 193 N -1.25 5.20 -0.04 2.41 1.01 -0.90 -1.17 120.40 125.66 1fj2 s VAL 193 Ca 0.41 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.52 1fj2 s VAL 193 Cb 0.23 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1fj2 s VAL 193 CO 0.25 0.21 -0.25 -0.89 0.00 0.00 0.00 175.10 174.42 1fj2 s THR 194 N 1.74 2.11 -0.12 3.92 2.01 -0.18 -4.99 115.64 120.12 1fj2 s THR 194 Ca 0.07 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 61.01 1fj2 s THR 194 Cb -0.16 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.60 1fj2 s THR 194 CO 0.10 0.58 -0.19 0.12 -0.69 0.00 0.00 174.62 174.54 1fj2 s PHE 195 N -0.46 2.69 -0.03 4.92 5.36 -1.26 -0.18 117.98 129.03 1fj2 s PHE 195 Ca 0.05 -0.96 0.04 0.00 -0.96 0.00 0.00 56.93 55.10 1fj2 s PHE 195 Cb -0.11 -1.80 -0.01 0.00 -0.34 0.00 0.00 43.02 40.76 1fj2 s PHE 195 CO 0.01 -0.39 -0.15 0.15 -1.46 0.00 0.00 175.22 173.37 1fj2 s LYS 196 N 0.50 1.48 0.16 10.12 1.02 -0.18 -4.98 119.74 127.85 1fj2 s LYS 196 Ca -0.12 -0.55 0.10 0.00 0.02 0.00 0.00 55.97 55.41 1fj2 s LYS 196 Cb -0.17 -1.34 -0.04 0.00 -0.52 0.00 0.00 37.83 35.76 1fj2 s LYS 196 CO 0.05 0.26 -0.21 0.95 -0.92 0.00 0.00 175.35 175.48 1fj2 s THR 197 N -0.09 2.02 -0.12 2.17 -4.23 -1.26 -1.16 115.64 112.97 1fj2 s THR 197 Ca 0.00 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1fj2 s THR 197 Cb -0.09 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.86 1fj2 s THR 197 CO 0.01 -0.19 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.49 1fj2 s TYR 198 N -1.74 1.67 0.05 3.99 1.51 -0.63 -4.94 117.35 117.26 1fj2 s TYR 198 Ca 0.16 -0.84 -0.31 0.00 -1.01 0.00 0.00 57.07 55.07 1fj2 s TYR 198 Cb -0.07 -1.31 -0.05 0.00 -0.11 0.00 0.00 41.96 40.41 1fj2 s TYR 198 CO 0.07 -0.52 1.21 -2.00 -1.11 0.00 0.00 175.55 173.20 1fj2 s GLU 199 N 1.51 4.42 0.00 -0.62 2.12 -1.26 -2.09 118.70 122.78 1fj2 s GLU 199 Ca 0.02 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.13 1fj2 s GLU 199 Cb -0.13 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.89 1fj2 s GLU 199 CO -0.07 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 1fj2 n GLY 200 N 3.25 1.97 3.72 -1.50 0.00 -1.26 -4.95 105.19 106.41 1fj2 n GLY 200 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1fj2 n GLY 200 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1fj2 s MET 201 N -0.02 4.50 0.00 1.61 1.75 -1.09 -4.80 119.30 121.25 1fj2 s MET 201 Ca 0.00 1.12 0.00 0.00 -1.25 0.00 0.00 55.69 55.56 1fj2 s MET 201 Cb 0.00 -3.44 0.00 0.00 2.84 0.00 0.00 34.83 34.23 1fj2 s MET 201 CO 0.00 0.06 0.00 -1.33 -0.65 0.00 0.00 175.02 173.10 1fj2 n MET 202 N 3.67 3.37 -2.79 4.11 2.81 -1.26 -1.55 117.12 125.47 1fj2 n MET 202 Ca 0.01 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.47 1fj2 n MET 202 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.02 1fj2 n MET 202 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1fj2 n HIS 203 N 0.00 4.82 -3.60 2.03 -0.00 -1.26 -4.47 115.22 112.73 1fj2 n HIS 203 Ca 0.00 -3.16 -0.03 0.00 0.46 0.00 0.00 57.72 54.99 1fj2 n HIS 203 Cb 0.00 -2.35 0.01 0.00 -0.12 0.00 0.00 29.99 27.53 1fj2 n HIS 203 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1fj2 n SER 204 N 6.59 -1.15 -3.22 0.26 3.41 -1.26 -5.09 113.62 113.17 1fj2 n SER 204 Ca 0.41 -1.69 -0.10 0.00 -0.26 0.00 0.00 58.87 57.23 1fj2 n SER 204 Cb 0.44 1.88 0.05 0.00 -0.26 0.00 0.00 64.21 66.32 1fj2 n SER 204 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fj2 n SER 205 N -1.12 0.74 -3.98 4.04 3.41 -1.26 -4.86 113.62 110.58 1fj2 n SER 205 Ca -0.03 -1.58 -0.09 0.00 -0.26 0.00 0.00 58.87 56.91 1fj2 n SER 205 Cb 0.34 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 1fj2 n SER 205 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fj2 h GLN 207 N 2.33 1.05 -0.91 0.00 4.15 -2.01 -0.98 115.11 118.74 1fj2 h GLN 207 Ca -0.28 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.05 1fj2 h GLN 207 Cb 1.25 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 1fj2 h GLN 207 CO 0.39 0.72 0.52 0.37 -1.93 0.00 0.00 178.83 178.90 1fj2 h GLN 208 N 1.07 1.26 -0.40 1.69 5.75 -1.99 -0.42 115.11 122.07 1fj2 h GLN 208 Ca 0.29 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 1fj2 h GLN 208 Cb -0.09 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.19 1fj2 h GLN 208 CO -0.06 0.90 0.19 1.49 -2.65 0.00 0.00 178.83 178.71 1fj2 h GLU 209 N 1.27 0.58 -0.45 1.69 4.81 -1.85 -1.68 114.58 118.94 1fj2 h GLU 209 Ca 0.32 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1fj2 h GLU 209 Cb -0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1fj2 h GLU 209 CO -0.06 0.51 0.29 0.52 -0.73 0.00 0.00 179.01 179.55 1fj2 h MET 210 N 0.51 0.60 -0.61 1.92 2.86 -0.57 0.19 114.93 119.83 1fj2 h MET 210 Ca 0.14 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 1fj2 h MET 210 Cb 0.12 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1fj2 h MET 210 CO -0.02 0.40 0.01 1.98 1.06 0.00 0.00 176.91 180.35 1fj2 h MET 211 N 0.61 1.06 -0.46 1.72 1.85 -0.65 0.25 114.93 119.32 1fj2 h MET 211 Ca 0.16 -0.33 -0.09 0.00 -0.61 0.00 0.00 59.70 58.83 1fj2 h MET 211 Cb -0.06 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 31.86 1fj2 h MET 211 CO -0.03 1.03 -0.08 -0.44 -0.40 0.00 0.00 176.91 176.99 1fj2 h ASP 212 N 0.96 0.86 -0.66 1.39 3.32 -0.39 -1.18 116.42 120.72 1fj2 h ASP 212 Ca 0.17 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1fj2 h ASP 212 Cb 0.54 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1fj2 h ASP 212 CO 0.03 1.01 0.37 0.58 -1.72 0.00 0.00 179.24 179.50 1fj2 h VAL 213 N 0.70 1.20 -0.28 -1.35 2.07 -0.48 -1.36 116.25 116.75 1fj2 h VAL 213 Ca 0.12 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.18 1fj2 h VAL 213 Cb 0.61 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1fj2 h VAL 213 CO 0.04 0.22 0.08 0.50 0.02 0.00 0.00 177.57 178.43 1fj2 h LYS 214 N 0.89 0.19 -0.25 1.57 3.64 -0.60 -0.83 116.57 121.19 1fj2 h LYS 214 Ca 0.23 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1fj2 h LYS 214 Cb 0.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1fj2 h LYS 214 CO -0.04 0.13 -0.26 1.96 -2.27 0.00 0.00 179.45 178.97 1fj2 h GLN 215 N 0.20 0.48 -0.23 1.90 1.08 -1.09 0.21 115.11 117.67 1fj2 h GLN 215 Ca 0.13 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 1fj2 h GLN 215 Cb 0.11 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1fj2 h GLN 215 CO -0.14 0.70 -0.07 0.35 -0.95 0.00 0.00 178.83 178.71 1fj2 h PHE 216 N 0.42 0.51 -0.28 2.96 3.57 -0.75 -1.52 116.94 121.85 1fj2 h PHE 216 Ca 0.06 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1fj2 h PHE 216 Cb 0.68 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1fj2 h PHE 216 CO 0.02 0.69 0.15 0.82 -2.23 0.00 0.00 178.31 177.77 1fj2 h ILE 217 N 0.17 1.13 -0.04 1.41 2.04 -1.07 -2.26 117.51 118.89 1fj2 h ILE 217 Ca 0.06 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.43 1fj2 h ILE 217 Cb 0.54 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1fj2 h ILE 217 CO 0.03 0.13 -0.67 0.44 0.00 0.00 0.00 178.15 178.07 1fj2 h ASP 218 N 0.34 0.21 -0.19 1.72 3.32 -0.43 -0.40 116.42 120.98 1fj2 h ASP 218 Ca 0.10 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1fj2 h ASP 218 Cb 0.06 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1fj2 h ASP 218 CO -0.02 0.82 -0.18 0.50 -1.72 0.00 0.00 179.24 178.64 1fj2 h LYS 219 N 0.13 0.62 0.00 3.56 3.64 -1.20 -2.92 116.57 120.40 1fj2 h LYS 219 Ca -0.01 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1fj2 h LYS 219 Cb 1.20 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1fj2 h LYS 219 CO 0.10 0.77 -0.55 -0.07 -2.27 0.00 0.00 179.45 177.43 1fj2 h LEU 220 N 0.55 0.00 -5.57 5.20 3.38 -0.97 -3.35 115.31 114.56 1fj2 h LEU 220 Ca 0.09 -0.11 -0.58 0.00 0.09 0.00 0.00 57.88 57.37 1fj2 h LEU 220 Cb 0.62 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.96 1fj2 h LEU 220 CO 0.04 0.05 -0.69 0.18 0.09 0.00 0.00 178.44 178.11 1fj2 n LEU 221 N -2.39 3.89 -4.68 1.67 4.77 -0.20 -5.01 117.00 115.05 1fj2 n LEU 221 Ca 0.03 -5.55 -0.30 0.00 -0.03 0.00 0.00 56.01 50.16 1fj2 n LEU 221 Cb 0.48 -0.43 0.15 0.00 -2.33 0.00 0.00 43.42 41.29 1fj2 n LEU 221 CO 0.36 2.28 0.65 -2.16 -1.33 0.00 0.00 177.39 177.20 1fj2 s PRO 222 N -3.11 1.04 0.48 3.23 0.04 -1.11 -4.81 135.00 130.77 1fj2 s PRO 222 Ca 0.46 1.01 -0.23 0.00 0.04 0.00 0.00 61.00 62.28 1fj2 s PRO 222 Cb 0.26 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.94 1fj2 s PRO 222 CO -0.11 -2.44 1.12 -0.35 0.04 0.00 0.00 177.00 175.26 1fj2 n PRO 223 N -4.05 1.45 -0.85 0.56 -0.04 -1.26 -5.05 135.00 125.77 1fj2 n PRO 223 Ca 0.08 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1fj2 n PRO 223 Cb 0.54 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1fj2 n PRO 223 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57