#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bd0 s HIS 3 N 0.00 3.21 -0.37 2.13 3.76 -0.25 -4.98 115.29 118.78 2bd0 s HIS 3 Ca 0.00 -0.02 -0.15 0.00 -0.15 0.00 0.00 55.06 54.74 2bd0 s HIS 3 Cb 0.00 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.61 2bd0 s HIS 3 CO 0.00 0.08 0.36 0.42 -0.85 0.00 0.00 174.74 174.75 2bd0 s ILE 4 N 0.50 5.17 -0.06 0.60 1.01 -1.26 0.34 121.20 127.50 2bd0 s ILE 4 Ca 0.02 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.54 2bd0 s ILE 4 Cb -0.13 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 2bd0 s ILE 4 CO 0.01 -0.21 -0.23 -0.76 0.00 0.00 0.00 174.94 173.76 2bd0 s LEU 5 N 1.98 2.21 -0.19 2.97 1.43 -0.66 -1.00 118.68 125.41 2bd0 s LEU 5 Ca 0.10 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 2bd0 s LEU 5 Cb -0.17 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.64 2bd0 s LEU 5 CO 0.12 0.25 -0.13 -0.22 0.23 0.00 0.00 176.35 176.60 2bd0 s LEU 6 N -0.19 2.50 -0.23 1.79 2.96 0.53 -0.18 118.68 125.87 2bd0 s LEU 6 Ca -0.02 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2bd0 s LEU 6 Cb -0.14 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 44.99 2bd0 s LEU 6 CO 0.03 0.01 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.31 2bd0 s ILE 7 N 1.29 2.31 0.32 6.68 1.09 -0.40 -0.53 121.20 131.97 2bd0 s ILE 7 Ca 0.04 -1.24 -0.13 0.00 -1.10 0.00 0.00 60.65 58.21 2bd0 s ILE 7 Cb -0.14 -2.18 -0.08 0.00 -1.06 0.00 0.00 42.46 39.00 2bd0 s ILE 7 CO -0.07 0.22 0.71 0.42 -0.10 0.00 0.00 174.94 176.13 2bd0 s THR 8 N 1.22 4.74 -1.24 2.92 -4.23 -1.01 -1.83 115.64 116.22 2bd0 s THR 8 Ca -0.02 0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 61.26 2bd0 s THR 8 Cb -0.17 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.04 2bd0 s THR 8 CO -0.08 -0.23 0.55 0.61 -0.54 0.00 0.00 174.62 174.93 2bd0 n GLY 9 N -0.51 -0.28 0.00 3.99 0.00 -0.11 -3.09 105.19 105.19 2bd0 n GLY 9 Ca 0.03 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2bd0 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bd0 n ALA 10 N -3.37 2.28 0.10 4.61 0.00 -0.68 -3.87 120.51 119.57 2bd0 n ALA 10 Ca -0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.26 2bd0 n ALA 10 Cb 0.59 -1.44 0.30 0.00 0.00 0.00 0.00 19.45 18.90 2bd0 n ALA 10 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2bd0 h GLY 11 N 4.65 0.26 -1.53 0.00 0.00 -1.87 -3.15 103.07 101.43 2bd0 h GLY 11 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 47.33 46.91 2bd0 h GLY 11 CO 0.00 0.18 -0.07 -1.59 0.00 0.00 0.00 176.54 175.06 2bd0 s LYS 12 N -4.41 2.00 4.05 4.80 -2.85 -1.25 -4.81 119.74 117.27 2bd0 s LYS 12 Ca -0.05 -1.69 0.00 0.00 -1.00 0.00 0.00 55.97 53.24 2bd0 s LYS 12 Cb 0.14 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.40 2bd0 s LYS 12 CO 0.75 -0.86 0.00 0.41 0.10 0.00 0.00 175.35 175.75 2bd0 n GLY 13 N -0.56 2.74 0.27 0.59 0.00 -1.26 -2.23 105.19 104.73 2bd0 n GLY 13 Ca -0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 2bd0 n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bd0 h ILE 14 N 0.00 1.20 -0.49 -0.61 2.04 -1.89 -1.78 117.51 115.98 2bd0 h ILE 14 Ca 0.00 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.41 2bd0 h ILE 14 Cb 0.00 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 2bd0 h ILE 14 CO 0.00 0.21 0.29 1.23 0.00 0.00 0.00 178.15 179.88 2bd0 h GLY 15 N 0.87 0.69 0.99 5.37 0.00 -1.64 0.40 103.07 109.76 2bd0 h GLY 15 Ca 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2bd0 h GLY 15 CO -0.04 0.18 0.28 -0.09 0.00 0.00 0.00 176.54 176.87 2bd0 h ARG 16 N 0.57 0.88 -0.71 4.80 2.43 -1.25 -1.32 114.38 119.78 2bd0 h ARG 16 Ca 0.20 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2bd0 h ARG 16 Cb 0.03 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 2bd0 h ARG 16 CO -0.10 0.72 0.34 0.00 -1.51 0.00 0.00 179.97 179.42 2bd0 h ALA 17 N 1.11 1.25 -0.34 2.80 0.00 -0.65 -1.26 119.26 122.17 2bd0 h ALA 17 Ca 0.21 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2bd0 h ALA 17 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2bd0 h ALA 17 CO -0.02 0.57 -0.10 0.82 0.00 0.00 0.00 179.25 180.52 2bd0 h ILE 18 N 1.01 1.28 -0.11 0.00 2.04 -0.60 -0.83 117.51 120.31 2bd0 h ILE 18 Ca 0.25 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 64.96 2bd0 h ILE 18 Cb 0.11 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2bd0 h ILE 18 CO -0.03 0.38 -0.03 0.00 0.00 0.00 0.00 178.15 178.47 2bd0 h ALA 19 N 0.80 0.07 -0.80 1.87 0.00 -0.89 -1.33 119.26 118.98 2bd0 h ALA 19 Ca 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2bd0 h ALA 19 Cb 0.61 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2bd0 h ALA 19 CO 0.04 -0.49 0.37 1.25 0.00 0.00 0.00 179.25 180.42 2bd0 h LEU 20 N -0.01 1.04 -0.88 0.00 5.85 -1.17 -2.11 115.31 118.04 2bd0 h LEU 20 Ca 0.06 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 2bd0 h LEU 20 Cb 0.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2bd0 h LEU 20 CO -0.12 0.89 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.72 2bd0 h GLU 21 N 1.14 0.75 -0.51 1.25 4.57 -0.76 -0.68 114.58 120.33 2bd0 h GLU 21 Ca 0.27 -0.23 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 2bd0 h GLU 21 Cb 0.13 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 2bd0 h GLU 21 CO -0.03 0.81 -0.06 0.74 -1.18 0.00 0.00 179.01 179.29 2bd0 h PHE 22 N 0.69 1.00 -0.22 0.92 0.04 -0.95 0.15 116.94 118.56 2bd0 h PHE 22 Ca 0.13 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 2bd0 h PHE 22 Cb 0.53 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2bd0 h PHE 22 CO 0.03 0.93 0.07 0.00 -0.60 0.00 0.00 178.31 178.74 2bd0 h ALA 23 N 1.09 0.29 -0.32 2.45 0.00 -0.94 -2.13 119.26 119.71 2bd0 h ALA 23 Ca 0.14 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2bd0 h ALA 23 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2bd0 h ALA 23 CO 0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 179.25 179.07 2bd0 h ARG 24 N 0.19 0.55 -0.29 0.00 3.08 -0.98 -2.77 114.38 114.17 2bd0 h ARG 24 Ca 0.07 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2bd0 h ARG 24 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2bd0 h ARG 24 CO -0.00 0.68 0.14 0.00 -1.07 0.00 0.00 179.97 179.72 2bd0 h ALA 25 N 1.35 0.38 0.00 0.04 0.00 -0.74 -2.10 119.26 118.19 2bd0 h ALA 25 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2bd0 h ALA 25 Cb 0.53 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2bd0 h ALA 25 CO 0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.14 2bd0 h ALA 26 N 1.00 1.24 -0.01 0.00 0.00 -1.24 0.28 119.26 120.52 2bd0 h ALA 26 Ca 0.10 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2bd0 h ALA 26 Cb 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2bd0 h ALA 26 CO -0.01 0.10 -0.79 -0.09 0.00 0.00 0.00 179.25 178.46 2bd0 h ARG 27 N 0.00 0.11 -0.03 0.00 2.43 -1.11 -3.29 114.38 112.50 2bd0 h ARG 27 Ca -0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2bd0 h ARG 27 Cb 0.28 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2bd0 h ARG 27 CO 0.01 0.84 0.00 0.72 -1.51 0.00 0.00 179.97 180.03 2bd0 n HIS 28 N -3.68 0.02 -3.34 2.20 8.25 -0.91 -4.72 115.22 113.05 2bd0 n HIS 28 Ca -0.02 -0.02 -0.26 0.00 -0.26 0.00 0.00 57.72 57.15 2bd0 n HIS 28 Cb 0.75 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.78 2bd0 n HIS 28 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2bd0 n HIS 29 N 0.59 3.12 -1.52 4.41 -0.00 0.93 -5.07 115.22 117.68 2bd0 n HIS 29 Ca 0.06 -4.06 -0.45 0.00 0.46 0.00 0.00 57.72 53.73 2bd0 n HIS 29 Cb 0.27 -0.52 -0.05 0.00 -0.12 0.00 0.00 29.99 29.57 2bd0 n HIS 29 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2bd0 n PRO 30 N 0.80 1.38 0.00 1.57 -0.02 -1.26 -1.99 135.00 135.48 2bd0 n PRO 30 Ca 0.29 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2bd0 n PRO 30 Cb 0.43 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 2bd0 n PRO 30 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2bd0 n ASP 31 N 11.54 0.00 -4.16 2.55 5.75 -1.26 -5.09 116.55 125.89 2bd0 n ASP 31 Ca 0.37 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.77 2bd0 n ASP 31 Cb 0.36 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.34 2bd0 n ASP 31 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2bd0 s PHE 32 N 0.00 3.52 -0.52 2.11 5.36 -0.84 -5.02 117.98 122.60 2bd0 s PHE 32 Ca 0.00 -2.19 -0.03 0.00 -0.96 0.00 0.00 56.93 53.75 2bd0 s PHE 32 Cb 0.00 -3.32 0.14 0.00 -0.34 0.00 0.00 43.02 39.49 2bd0 s PHE 32 CO 0.00 -0.98 0.32 -1.21 -1.46 0.00 0.00 175.22 171.89 2bd0 s GLU 33 N 1.23 2.28 0.28 10.12 2.02 -1.26 -4.51 118.70 128.86 2bd0 s GLU 33 Ca 0.07 -2.18 -0.06 0.00 0.02 0.00 0.00 54.97 52.82 2bd0 s GLU 33 Cb -0.24 -3.65 -0.06 0.00 0.10 0.00 0.00 34.13 30.28 2bd0 s GLU 33 CO -0.03 -1.12 0.56 -1.25 0.02 0.00 0.00 175.26 173.44 2bd0 s PRO 34 N 0.54 3.67 -0.32 0.39 0.04 -1.26 -1.10 135.00 136.96 2bd0 s PRO 34 Ca 0.13 0.07 -0.03 0.00 0.04 0.00 0.00 61.00 61.21 2bd0 s PRO 34 Cb -0.22 -2.64 0.05 0.00 0.04 0.00 0.00 34.50 31.73 2bd0 s PRO 34 CO -0.04 0.22 0.04 0.08 0.04 0.00 0.00 177.00 177.35 2bd0 s VAL 35 N -2.04 3.26 -0.64 -0.36 1.01 0.15 -3.60 120.40 118.18 2bd0 s VAL 35 Ca 0.45 -1.32 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 2bd0 s VAL 35 Cb -0.11 -2.87 0.07 0.00 0.00 0.00 0.00 36.38 33.47 2bd0 s VAL 35 CO 0.28 -0.15 0.91 -0.76 0.00 0.00 0.00 175.10 175.39 2bd0 s LEU 36 N 1.30 4.56 -0.42 3.92 1.43 0.22 -1.65 118.68 128.05 2bd0 s LEU 36 Ca -0.04 -1.03 -0.25 0.00 -1.03 0.00 0.00 54.13 51.78 2bd0 s LEU 36 Cb -0.20 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.62 2bd0 s LEU 36 CO 0.00 -1.36 0.89 -0.69 0.23 0.00 0.00 176.35 175.42 2bd0 s VAL 37 N 3.78 4.56 -0.21 -1.59 1.01 0.75 -1.11 120.40 127.59 2bd0 s VAL 37 Ca 0.20 0.88 -0.06 0.00 0.00 0.00 0.00 61.98 63.00 2bd0 s VAL 37 Cb -0.18 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 2bd0 s VAL 37 CO 0.10 -0.67 0.03 -0.76 0.00 0.00 0.00 175.10 173.80 2bd0 s LEU 38 N 3.53 3.45 0.10 3.92 1.43 0.00 -1.28 118.68 129.84 2bd0 s LEU 38 Ca 0.36 -0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.42 2bd0 s LEU 38 Cb -0.11 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 2bd0 s LEU 38 CO 0.22 0.07 -0.21 -0.55 0.23 0.00 0.00 176.35 176.12 2bd0 s SER 39 N 0.97 2.53 0.15 2.29 0.15 -0.76 -1.52 113.70 117.50 2bd0 s SER 39 Ca 0.03 -0.67 -0.24 0.00 0.70 0.00 0.00 55.95 55.76 2bd0 s SER 39 Cb -0.14 -0.14 0.08 0.00 -1.71 0.00 0.00 66.02 64.10 2bd0 s SER 39 CO 0.02 0.06 1.04 -0.55 1.20 0.00 0.00 173.24 175.02 2bd0 s SER 40 N -1.86 -0.05 0.02 5.45 0.15 -1.23 -0.93 113.70 115.24 2bd0 s SER 40 Ca 0.06 -0.54 0.25 0.00 0.70 0.00 0.00 55.95 56.42 2bd0 s SER 40 Cb -0.10 0.46 0.45 0.00 -1.71 0.00 0.00 66.02 65.12 2bd0 s SER 40 CO 0.04 -0.89 1.38 0.54 1.20 0.00 0.00 173.24 175.51 2bd0 n ARG 41 N -0.62 0.05 -3.98 5.44 1.74 -1.25 -0.60 116.66 117.45 2bd0 n ARG 41 Ca -0.04 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.72 2bd0 n ARG 41 Cb 0.60 -1.53 -0.14 0.00 -1.02 0.00 0.00 32.46 30.37 2bd0 n ARG 41 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2bd0 s THR 42 N -3.03 2.55 0.34 0.55 2.01 -1.26 -4.84 115.64 111.97 2bd0 s THR 42 Ca 0.10 -1.79 0.06 0.00 0.31 0.00 0.00 61.69 60.37 2bd0 s THR 42 Cb 0.17 -2.61 0.30 0.00 0.01 0.00 0.00 72.50 70.37 2bd0 s THR 42 CO 0.71 -0.26 1.90 0.00 -0.69 0.00 0.00 174.62 176.28 2bd0 h ALA 43 N 7.83 1.72 -0.61 7.40 0.00 -1.97 -2.09 119.26 131.53 2bd0 h ALA 43 Ca -0.15 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2bd0 h ALA 43 Cb 1.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2bd0 h ALA 43 CO 0.52 0.09 0.36 0.00 0.00 0.00 0.00 179.25 180.22 2bd0 h ALA 44 N 1.58 0.80 -0.68 0.00 0.00 -2.00 -1.43 119.26 117.54 2bd0 h ALA 44 Ca 0.40 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 2bd0 h ALA 44 Cb 0.48 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2bd0 h ALA 44 CO -0.17 0.07 0.11 -0.44 0.00 0.00 0.00 179.25 178.82 2bd0 h ASP 45 N 0.69 1.08 -0.70 0.00 3.32 -1.73 -2.91 116.42 116.17 2bd0 h ASP 45 Ca 0.26 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2bd0 h ASP 45 Cb 0.08 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 2bd0 h ASP 45 CO -0.13 1.07 0.33 -0.07 -1.72 0.00 0.00 179.24 178.71 2bd0 h LEU 46 N 1.05 0.94 -0.66 1.55 3.38 -1.09 -1.85 115.31 118.64 2bd0 h LEU 46 Ca 0.20 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2bd0 h LEU 46 Cb 0.45 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2bd0 h LEU 46 CO 0.01 0.81 0.05 -0.08 0.09 0.00 0.00 178.44 179.32 2bd0 h GLU 47 N 1.03 1.09 0.09 1.13 4.57 -1.12 -0.24 114.58 121.12 2bd0 h GLU 47 Ca 0.25 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2bd0 h GLU 47 Cb 0.13 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2bd0 h GLU 47 CO -0.03 1.03 -0.04 -0.22 -1.18 0.00 0.00 179.01 178.57 2bd0 h LYS 48 N 1.01 -0.11 -0.26 1.92 3.64 -1.28 -2.10 116.57 119.38 2bd0 h LYS 48 Ca 0.19 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 2bd0 h LYS 48 Cb 0.51 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2bd0 h LYS 48 CO 0.02 0.14 -0.23 0.97 -2.27 0.00 0.00 179.45 178.09 2bd0 h ILE 49 N -0.36 1.26 -0.31 2.00 -0.00 -1.33 -2.54 117.51 116.22 2bd0 h ILE 49 Ca -0.01 -1.21 0.00 0.00 -0.00 0.00 0.00 64.86 63.64 2bd0 h ILE 49 Cb 0.31 1.31 -0.02 0.00 -0.00 0.00 0.00 36.82 38.42 2bd0 h ILE 49 CO 0.02 0.39 0.20 -1.28 -0.00 0.00 0.00 178.15 177.48 2bd0 h SER 50 N 0.43 0.36 -0.74 2.19 0.87 -0.94 -1.23 113.55 114.48 2bd0 h SER 50 Ca 0.07 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2bd0 h SER 50 Cb 0.63 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 2bd0 h SER 50 CO 0.04 0.28 0.49 -0.07 -0.53 0.00 0.00 176.83 177.05 2bd0 h LEU 51 N 0.41 0.85 -0.72 2.23 3.38 -1.16 0.44 115.31 120.75 2bd0 h LEU 51 Ca 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2bd0 h LEU 51 Cb -0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2bd0 h LEU 51 CO -0.02 0.61 0.43 -0.33 0.09 0.00 0.00 178.44 179.22 2bd0 h GLU 52 N 1.00 0.98 -0.43 1.13 5.08 -1.06 -0.01 114.58 121.26 2bd0 h GLU 52 Ca 0.27 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 2bd0 h GLU 52 Cb -0.11 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.92 2bd0 h GLU 52 CO -0.06 0.69 -0.23 0.00 -1.00 0.00 0.00 179.01 178.41 2bd0 h ARG 54 N 0.76 0.00 0.00 0.00 3.08 -0.48 -1.59 114.38 116.15 2bd0 h ARG 54 Ca 0.10 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2bd0 h ARG 54 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2bd0 h ARG 54 CO 0.06 0.28 -0.18 0.00 -1.07 0.00 0.00 179.97 179.06 2bd0 h ALA 55 N 1.72 1.30 -0.01 0.04 0.00 -0.60 0.21 119.26 121.93 2bd0 h ALA 55 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bd0 h ALA 55 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2bd0 h ALA 55 CO 0.04 0.23 -0.14 0.39 0.00 0.00 0.00 179.25 179.76 2bd0 n GLU 56 N -3.75 0.76 -0.53 0.00 -0.58 -0.64 -4.92 120.64 110.99 2bd0 n GLU 56 Ca -0.02 -0.32 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 2bd0 n GLU 56 Cb 0.29 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 2bd0 n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bd0 n GLY 57 N 1.29 0.82 3.85 0.62 0.00 0.06 -4.61 105.19 107.22 2bd0 n GLY 57 Ca 0.14 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 2bd0 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bd0 s ALA 58 N -2.00 3.79 0.18 4.61 0.00 -0.94 -4.99 121.76 122.42 2bd0 s ALA 58 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 2bd0 s ALA 58 Cb 0.00 -1.72 -0.08 0.00 0.00 0.00 0.00 23.12 21.32 2bd0 s ALA 58 CO 0.00 0.74 0.94 -0.51 0.00 0.00 0.00 175.76 176.93 2bd0 s LEU 59 N -2.01 4.59 0.13 0.00 1.43 -1.24 -3.93 118.68 117.65 2bd0 s LEU 59 Ca 0.27 1.87 0.04 0.00 -1.03 0.00 0.00 54.13 55.27 2bd0 s LEU 59 Cb -0.12 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 2bd0 s LEU 59 CO 0.19 0.08 -0.09 0.42 0.23 0.00 0.00 176.35 177.18 2bd0 s THR 60 N -0.72 1.00 -0.26 5.49 -4.23 -1.26 -0.61 115.64 115.05 2bd0 s THR 60 Ca 0.43 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 2bd0 s THR 60 Cb -0.25 -1.75 0.14 0.00 1.34 0.00 0.00 72.50 71.98 2bd0 s THR 60 CO 0.31 -0.77 0.36 -0.62 -0.54 0.00 0.00 174.62 173.36 2bd0 s ASP 61 N -3.05 0.58 0.12 3.99 2.15 -0.27 -4.88 116.67 115.31 2bd0 s ASP 61 Ca 0.14 -0.09 -0.14 0.00 0.43 0.00 0.00 52.55 52.89 2bd0 s ASP 61 Cb 0.03 0.96 -0.07 0.00 -0.30 0.00 0.00 42.92 43.54 2bd0 s ASP 61 CO -0.01 -0.33 0.52 0.42 -0.17 0.00 0.00 175.17 175.60 2bd0 s THR 62 N 2.50 4.89 -0.19 1.71 -4.23 -1.26 -0.82 115.64 118.24 2bd0 s THR 62 Ca 0.11 0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 61.34 2bd0 s THR 62 Cb -0.15 -3.74 0.08 0.00 1.34 0.00 0.00 72.50 70.04 2bd0 s THR 62 CO -0.21 0.30 0.44 -0.51 -0.54 0.00 0.00 174.62 174.10 2bd0 s ILE 63 N -1.39 -0.34 0.09 2.99 2.07 -0.58 -4.94 121.20 119.10 2bd0 s ILE 63 Ca 0.35 0.12 -0.30 0.00 -1.41 0.00 0.00 60.65 59.41 2bd0 s ILE 63 Cb -0.15 -0.67 -0.05 0.00 0.13 0.00 0.00 42.46 41.71 2bd0 s ILE 63 CO 0.19 0.05 1.00 -0.89 -1.91 0.00 0.00 174.94 173.38 2bd0 s THR 64 N 2.02 4.47 -0.27 4.00 2.01 -1.26 -3.51 115.64 123.09 2bd0 s THR 64 Ca -0.06 1.96 -0.24 0.00 0.31 0.00 0.00 61.69 63.67 2bd0 s THR 64 Cb -0.10 -4.25 0.09 0.00 0.01 0.00 0.00 72.50 68.24 2bd0 s THR 64 CO -0.13 0.26 0.81 0.00 -0.69 0.00 0.00 174.62 174.86 2bd0 s ALA 65 N 0.31 -1.86 -0.40 7.40 0.00 0.24 -4.92 121.76 122.52 2bd0 s ALA 65 Ca 0.49 2.04 -0.07 0.00 0.00 0.00 0.00 51.96 54.42 2bd0 s ALA 65 Cb -0.24 -1.29 0.08 0.00 0.00 0.00 0.00 23.12 21.67 2bd0 s ALA 65 CO 0.30 -0.32 0.22 0.34 0.00 0.00 0.00 175.76 176.30 2bd0 s ASP 66 N 0.51 5.49 0.03 0.00 -1.08 -1.26 -3.75 116.67 116.60 2bd0 s ASP 66 Ca -0.01 -1.55 0.08 0.00 -0.52 0.00 0.00 52.55 50.55 2bd0 s ASP 66 Cb -0.05 -1.93 0.35 0.00 -1.46 0.00 0.00 42.92 39.83 2bd0 s ASP 66 CO -0.04 -0.50 1.25 2.30 0.52 0.00 0.00 175.17 178.70 2bd0 n ILE 67 N 4.83 1.51 0.94 4.11 -6.64 -1.26 -0.88 119.36 121.98 2bd0 n ILE 67 Ca -0.09 0.40 0.14 0.00 -1.77 0.00 0.00 62.75 61.43 2bd0 n ILE 67 Cb 0.43 -1.31 0.56 0.00 -1.44 0.00 0.00 39.64 37.88 2bd0 n ILE 67 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 2bd0 n SER 68 N -1.57 0.16 -4.38 7.28 3.41 -1.26 -3.79 113.62 113.46 2bd0 n SER 68 Ca 0.01 0.46 -0.41 0.00 -0.26 0.00 0.00 58.87 58.68 2bd0 n SER 68 Cb 0.08 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.42 2bd0 n SER 68 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bd0 s ASP 69 N -3.24 5.75 0.57 4.04 3.68 -0.05 -4.89 116.67 122.52 2bd0 s ASP 69 Ca 0.13 -0.96 0.27 0.00 2.13 0.00 0.00 52.55 54.12 2bd0 s ASP 69 Cb 0.18 -2.03 1.51 0.00 -1.45 0.00 0.00 42.92 41.12 2bd0 s ASP 69 CO 0.55 -0.38 2.01 0.24 0.13 0.00 0.00 175.17 177.72 2bd0 h MET 70 N 8.45 0.00 -0.54 4.34 2.86 -1.83 0.11 114.93 128.32 2bd0 h MET 70 Ca -0.26 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.26 2bd0 h MET 70 Cb 1.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.75 2bd0 h MET 70 CO 0.67 0.00 -0.13 0.00 1.06 0.00 0.00 176.91 178.51 2bd0 h ALA 71 N 1.67 0.75 -0.02 6.32 0.00 -1.92 -1.27 119.26 124.80 2bd0 h ALA 71 Ca 0.18 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2bd0 h ALA 71 Cb 0.85 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2bd0 h ALA 71 CO -0.00 0.68 -0.63 -0.44 0.00 0.00 0.00 179.25 178.85 2bd0 h ASP 72 N 0.91 0.09 -0.61 0.00 5.19 -1.06 -1.08 116.42 119.87 2bd0 h ASP 72 Ca 0.14 -0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.40 2bd0 h ASP 72 Cb 0.70 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 2bd0 h ASP 72 CO 0.05 0.70 0.04 0.58 -3.12 0.00 0.00 179.24 177.49 2bd0 h VAL 73 N 0.06 1.26 -0.44 -1.35 2.07 -0.98 0.53 116.25 117.40 2bd0 h VAL 73 Ca -0.01 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 2bd0 h VAL 73 Cb 1.13 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2bd0 h VAL 73 CO 0.09 0.40 -0.05 -0.09 0.02 0.00 0.00 177.57 177.94 2bd0 h ARG 74 N 0.98 0.80 -0.60 1.57 9.65 -0.96 -1.52 114.38 124.30 2bd0 h ARG 74 Ca 0.18 -0.28 -0.07 0.00 -1.10 0.00 0.00 59.98 58.72 2bd0 h ARG 74 Cb 0.51 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 2bd0 h ARG 74 CO 0.02 0.89 0.11 -0.09 2.80 0.00 0.00 179.97 183.71 2bd0 h ARG 75 N 0.64 0.95 -0.24 0.20 2.43 -0.88 -0.28 114.38 117.21 2bd0 h ARG 75 Ca 0.12 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 2bd0 h ARG 75 Cb 0.56 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2bd0 h ARG 75 CO 0.03 0.87 -0.08 1.25 -1.51 0.00 0.00 179.97 180.54 2bd0 h LEU 76 N 0.90 0.47 -0.23 3.80 5.85 -0.74 -1.50 115.31 123.87 2bd0 h LEU 76 Ca 0.19 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2bd0 h LEU 76 Cb 0.37 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2bd0 h LEU 76 CO 0.01 0.75 0.10 0.74 -0.34 0.00 0.00 178.44 179.69 2bd0 h THR 77 N 0.20 1.16 -1.01 1.05 2.02 -1.11 -2.60 112.91 112.62 2bd0 h THR 77 Ca 0.06 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.82 2bd0 h THR 77 Cb 0.55 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 2bd0 h THR 77 CO 0.03 0.16 0.66 0.74 0.37 0.00 0.00 175.52 177.47 2bd0 h THR 78 N 0.23 1.14 -0.36 3.16 2.02 -1.03 -1.04 112.91 117.03 2bd0 h THR 78 Ca 0.08 -0.43 0.02 0.00 0.77 0.00 0.00 66.41 66.85 2bd0 h THR 78 Cb 0.15 -0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.33 2bd0 h THR 78 CO -0.01 0.23 0.20 -0.74 0.37 0.00 0.00 175.52 175.57 2bd0 h HIS 79 N 1.24 0.37 -0.43 3.16 6.17 -0.95 0.14 115.15 124.85 2bd0 h HIS 79 Ca 0.41 0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.45 2bd0 h HIS 79 Cb 0.07 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 29.86 2bd0 h HIS 79 CO -0.00 0.21 0.06 0.82 0.71 0.00 0.00 177.93 179.73 2bd0 h ILE 80 N 0.40 1.25 -0.20 6.26 5.03 -1.05 -0.35 117.51 128.85 2bd0 h ILE 80 Ca 0.14 -0.91 -0.02 0.00 -0.12 0.00 0.00 64.86 63.96 2bd0 h ILE 80 Cb 0.02 1.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.82 2bd0 h ILE 80 CO -0.08 0.31 0.06 0.58 -0.68 0.00 0.00 178.15 178.34 2bd0 h VAL 81 N 0.57 1.20 0.02 1.67 2.07 -0.88 0.91 116.25 121.81 2bd0 h VAL 81 Ca 0.13 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 2bd0 h VAL 81 Cb 0.40 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2bd0 h VAL 81 CO 0.01 0.20 -0.32 -0.33 0.02 0.00 0.00 177.57 177.15 2bd0 h GLU 82 N 0.15 0.18 0.01 1.57 5.08 -0.74 -0.94 114.58 119.89 2bd0 h GLU 82 Ca 0.06 -0.22 -0.20 0.00 -1.00 0.00 0.00 59.36 58.01 2bd0 h GLU 82 Cb 0.25 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2bd0 h GLU 82 CO -0.00 0.99 -0.89 -0.09 -1.00 0.00 0.00 179.01 178.02 2bd0 h ARG 83 N -0.53 0.18 0.00 2.33 2.43 -1.17 -3.40 114.38 114.21 2bd0 h ARG 83 Ca -0.04 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2bd0 h ARG 83 Cb 1.12 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2bd0 h ARG 83 CO 0.06 0.96 -0.99 0.66 -1.51 0.00 0.00 179.97 179.15 2bd0 n TYR 84 N -3.64 0.00 -1.67 2.20 4.02 -0.55 -5.01 117.16 112.50 2bd0 n TYR 84 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.65 2bd0 n TYR 84 Cb 0.82 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 40.06 2bd0 n TYR 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bd0 n GLY 85 N 3.24 1.78 3.61 2.72 0.00 0.31 -4.91 105.19 111.94 2bd0 n GLY 85 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2bd0 n GLY 85 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bd0 s HIS 86 N -2.79 -0.60 -0.05 1.61 5.65 -1.25 -4.97 115.29 112.89 2bd0 s HIS 86 Ca 0.00 1.36 -0.02 0.00 0.25 0.00 0.00 55.06 56.65 2bd0 s HIS 86 Cb 0.00 0.35 0.04 0.00 -1.18 0.00 0.00 32.58 31.78 2bd0 s HIS 86 CO 0.00 -0.34 0.09 -1.50 -0.65 0.00 0.00 174.74 172.34 2bd0 s ILE 87 N -0.07 -0.11 -0.14 0.89 2.07 -1.26 -4.84 121.20 117.74 2bd0 s ILE 87 Ca -0.00 0.29 0.18 0.00 -1.41 0.00 0.00 60.65 59.71 2bd0 s ILE 87 Cb -0.04 -0.18 -0.25 0.00 0.13 0.00 0.00 42.46 42.13 2bd0 s ILE 87 CO -0.01 0.12 0.33 0.47 -1.91 0.00 0.00 174.94 173.95 2bd0 n ASP 88 N 4.70 0.22 -3.69 4.50 8.00 -0.17 -4.72 116.55 125.39 2bd0 n ASP 88 Ca -0.17 0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.34 2bd0 n ASP 88 Cb 0.50 0.96 -0.10 0.00 -0.02 0.00 0.00 41.12 42.46 2bd0 n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bd0 s LEU 90 N 1.52 2.32 -0.41 0.00 2.96 -0.40 -0.35 118.68 124.32 2bd0 s LEU 90 Ca -0.09 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.24 2bd0 s LEU 90 Cb -0.08 -1.52 0.10 0.00 0.50 0.00 0.00 46.19 45.19 2bd0 s LEU 90 CO -0.14 0.07 0.21 -0.69 -1.32 0.00 0.00 176.35 174.49 2bd0 s VAL 91 N 0.86 3.53 -1.25 1.68 1.01 0.31 -0.41 120.40 126.13 2bd0 s VAL 91 Ca -0.05 -1.85 -0.18 0.00 0.00 0.00 0.00 61.98 59.91 2bd0 s VAL 91 Cb -0.15 -3.32 0.08 0.00 0.00 0.00 0.00 36.38 32.99 2bd0 s VAL 91 CO -0.02 -0.61 1.66 0.20 0.00 0.00 0.00 175.10 176.33 2bd0 s ASN 92 N 1.93 6.84 -0.20 3.32 0.01 0.58 -2.39 114.94 125.01 2bd0 s ASN 92 Ca 0.06 -2.43 0.17 0.00 -0.71 0.00 0.00 52.86 49.94 2bd0 s ASN 92 Cb -0.23 -2.55 -0.24 0.00 0.41 0.00 0.00 41.25 38.64 2bd0 s ASN 92 CO -0.02 -1.14 0.05 -3.20 -1.51 0.00 0.00 177.10 171.28 2bd0 n ASN 93 N 8.00 0.17 -4.62 -1.22 5.15 -1.25 -1.90 115.26 119.59 2bd0 n ASN 93 Ca 0.45 -0.01 -0.49 0.00 -0.60 0.00 0.00 54.58 53.93 2bd0 n ASN 93 Cb 0.46 0.90 -0.05 0.00 -0.53 0.00 0.00 39.78 40.56 2bd0 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bd0 n ALA 94 N -2.78 -0.08 -3.57 5.20 0.00 -1.18 -4.87 120.51 113.23 2bd0 n ALA 94 Ca -0.34 0.48 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 2bd0 n ALA 94 Cb 1.14 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 2bd0 n ALA 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bd0 s GLY 95 N 0.53 -0.30 0.27 0.00 0.00 -1.26 -4.78 107.32 101.79 2bd0 s GLY 95 Ca 0.80 1.69 0.05 0.00 0.00 0.00 0.00 44.72 47.27 2bd0 s GLY 95 CO 0.45 0.69 -0.03 -1.34 0.00 0.00 0.00 173.10 172.87 2bd0 s VAL 96 N -2.07 1.39 -0.04 1.40 -7.23 -1.26 -5.04 120.40 107.55 2bd0 s VAL 96 Ca 0.05 -2.08 -0.01 0.00 -1.81 0.00 0.00 61.98 58.12 2bd0 s VAL 96 Cb -0.01 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.52 2bd0 s VAL 96 CO -0.04 -0.28 0.08 -0.83 -0.31 0.00 0.00 175.10 173.72 2bd0 s GLY 97 N -3.40 0.08 -0.21 2.32 0.00 -1.26 -4.92 107.32 99.92 2bd0 s GLY 97 Ca 0.30 0.42 0.01 0.00 0.00 0.00 0.00 44.72 45.45 2bd0 s GLY 97 CO 0.11 1.00 -0.11 0.50 0.00 0.00 0.00 173.10 174.60 2bd0 s ARG 98 N 1.41 2.17 0.28 2.90 1.81 -1.26 -5.09 118.95 121.16 2bd0 s ARG 98 Ca -0.06 -0.98 0.11 0.00 -1.72 0.00 0.00 55.73 53.08 2bd0 s ARG 98 Cb -0.12 -2.57 -0.05 0.00 -0.45 0.00 0.00 34.95 31.76 2bd0 s ARG 98 CO -0.04 -0.45 -0.09 -0.06 -0.68 0.00 0.00 175.30 173.98 2bd0 s PHE 99 N 1.31 2.50 0.00 -0.53 0.40 -1.26 -4.43 117.98 115.97 2bd0 s PHE 99 Ca -0.03 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 2bd0 s PHE 99 Cb -0.17 -1.12 0.00 0.00 0.51 0.00 0.00 43.02 42.25 2bd0 s PHE 99 CO -0.08 0.66 0.00 0.41 0.70 0.00 0.00 175.22 176.91 2bd0 n GLY 100 N -0.77 2.31 3.75 4.36 0.00 -0.68 -5.01 105.19 109.15 2bd0 n GLY 100 Ca -0.06 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 2bd0 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bd0 s ALA 101 N -2.00 2.92 0.27 4.61 0.00 -1.26 -4.38 121.76 121.92 2bd0 s ALA 101 Ca 0.00 1.37 -0.06 0.00 0.00 0.00 0.00 51.96 53.27 2bd0 s ALA 101 Cb 0.00 -3.58 0.49 0.00 0.00 0.00 0.00 23.12 20.03 2bd0 s ALA 101 CO 0.00 -1.34 1.59 1.25 0.00 0.00 0.00 175.76 177.27 2bd0 h LEU 102 N 1.67 -0.61 -0.67 0.00 5.85 -1.93 0.32 115.31 119.94 2bd0 h LEU 102 Ca -0.51 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2bd0 h LEU 102 Cb 1.29 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.80 2bd0 h LEU 102 CO 0.58 -0.28 0.00 -1.54 -0.34 0.00 0.00 178.44 176.87 2bd0 n SER 103 N -5.49 0.60 0.01 1.25 3.41 -1.26 -3.28 113.62 108.87 2bd0 n SER 103 Ca 0.16 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.53 2bd0 n SER 103 Cb 0.53 -0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 63.65 2bd0 n SER 103 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2bd0 n ASP 104 N -2.17 0.68 -4.75 4.04 8.00 0.10 -4.95 116.55 117.50 2bd0 n ASP 104 Ca 0.02 -0.54 -0.41 0.00 0.71 0.00 0.00 54.79 54.57 2bd0 n ASP 104 Cb 0.21 1.01 -0.03 0.00 -0.02 0.00 0.00 41.12 42.30 2bd0 n ASP 104 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2bd0 s LEU 105 N -3.51 4.42 0.42 0.64 1.43 -1.19 -4.99 118.68 115.91 2bd0 s LEU 105 Ca 0.05 2.48 0.08 0.00 -1.03 0.00 0.00 54.13 55.70 2bd0 s LEU 105 Cb 0.15 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 2bd0 s LEU 105 CO 0.84 -0.52 0.44 0.42 0.23 0.00 0.00 176.35 177.76 2bd0 s THR 106 N -0.21 2.76 0.36 5.49 -4.23 -1.26 -4.99 115.64 113.56 2bd0 s THR 106 Ca 0.55 -1.23 0.04 0.00 -1.18 0.00 0.00 61.69 59.87 2bd0 s THR 106 Cb -0.37 -2.99 0.24 0.00 1.34 0.00 0.00 72.50 70.71 2bd0 s THR 106 CO 0.42 0.00 1.99 -0.08 -0.54 0.00 0.00 174.62 176.41 2bd0 h GLU 107 N 0.90 0.67 -0.57 3.99 4.81 -1.99 -1.15 114.58 121.23 2bd0 h GLU 107 Ca -0.41 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 58.66 2bd0 h GLU 107 Cb 1.27 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2bd0 h GLU 107 CO 0.53 0.49 -0.02 1.49 -0.73 0.00 0.00 179.01 180.77 2bd0 h GLU 108 N 0.67 1.02 -0.84 1.92 4.22 -1.99 0.35 114.58 119.94 2bd0 h GLU 108 Ca 0.17 -0.34 0.00 0.00 0.08 0.00 0.00 59.36 59.28 2bd0 h GLU 108 Cb 0.02 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2bd0 h GLU 108 CO -0.03 1.02 0.53 -0.44 -2.18 0.00 0.00 179.01 177.92 2bd0 h ASP 109 N 0.91 0.99 0.50 1.04 3.32 -1.68 -0.34 116.42 121.15 2bd0 h ASP 109 Ca 0.16 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2bd0 h ASP 109 Cb 0.58 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2bd0 h ASP 109 CO 0.03 0.74 -0.24 0.15 -1.72 0.00 0.00 179.24 178.20 2bd0 h PHE 110 N 1.14 -0.62 -0.60 4.55 3.04 -0.78 -2.12 116.94 121.54 2bd0 h PHE 110 Ca 0.30 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.25 2bd0 h PHE 110 Cb -0.09 0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 2bd0 h PHE 110 CO -0.01 -0.32 0.39 -0.44 -2.02 0.00 0.00 178.31 175.91 2bd0 h ASP 111 N -0.84 0.67 -0.48 0.41 3.32 -0.82 -0.41 116.42 118.27 2bd0 h ASP 111 Ca -0.07 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.98 2bd0 h ASP 111 Cb 0.59 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 2bd0 h ASP 111 CO 0.11 0.48 0.30 0.22 -1.72 0.00 0.00 179.24 178.63 2bd0 h TYR 112 N 0.79 0.57 -0.01 4.55 3.20 -1.09 0.81 116.97 125.80 2bd0 h TYR 112 Ca 0.23 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 2bd0 h TYR 112 Cb -0.06 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.02 2bd0 h TYR 112 CO -0.04 0.34 -0.00 1.15 -1.64 0.00 0.00 178.16 177.97 2bd0 h THR 113 N 0.61 1.25 -0.42 1.81 2.02 -1.05 -3.23 112.91 113.90 2bd0 h THR 113 Ca 0.18 -0.75 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 2bd0 h THR 113 Cb -0.03 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2bd0 h THR 113 CO -0.06 0.20 -0.23 0.24 0.37 0.00 0.00 175.52 176.03 2bd0 h MET 114 N -0.30 0.87 -0.31 6.66 2.86 -0.96 -1.07 114.93 122.67 2bd0 h MET 114 Ca 0.00 -0.37 0.03 0.00 -2.06 0.00 0.00 59.70 57.31 2bd0 h MET 114 Cb 0.32 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2bd0 h MET 114 CO 0.00 1.01 0.21 -0.91 1.06 0.00 0.00 176.91 178.28 2bd0 h ASN 115 N 0.75 0.26 0.00 1.22 -0.26 -0.91 -0.15 115.58 116.49 2bd0 h ASN 115 Ca 0.10 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 2bd0 h ASN 115 Cb 0.78 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.97 2bd0 h ASN 115 CO 0.06 0.18 -0.74 0.41 -1.06 0.00 0.00 177.43 176.28 2bd0 n THR 116 N -4.49 1.45 -0.24 2.81 -1.04 -1.17 -0.99 114.28 110.61 2bd0 n THR 116 Ca 0.03 0.18 -0.01 0.00 -2.04 0.00 0.00 64.05 62.21 2bd0 n THR 116 Cb 0.17 -2.36 0.20 0.00 -1.82 0.00 0.00 70.33 66.51 2bd0 n THR 116 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2bd0 h ASN 117 N -1.00 0.92 0.00 8.00 -0.26 -1.28 -2.90 115.58 119.06 2bd0 h ASN 117 Ca -0.01 -0.05 -0.08 0.00 -0.56 0.00 0.00 56.30 55.59 2bd0 h ASN 117 Cb 0.73 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 2bd0 h ASN 117 CO -0.01 0.71 -1.07 0.18 -1.06 0.00 0.00 177.43 176.18 2bd0 n LEU 118 N -4.38 1.67 0.35 1.61 4.77 -0.58 -4.41 117.00 116.03 2bd0 n LEU 118 Ca 0.08 0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 56.18 2bd0 n LEU 118 Cb 0.06 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.44 2bd0 n LEU 118 CO 0.37 -0.20 0.50 0.50 -1.33 0.00 0.00 177.39 177.23 2bd0 h LYS 119 N -0.75 -0.86 -0.43 3.23 3.64 -1.18 0.11 116.57 120.34 2bd0 h LYS 119 Ca -0.12 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2bd0 h LYS 119 Cb 0.91 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 2bd0 h LYS 119 CO -0.07 -0.53 0.23 0.78 -2.27 0.00 0.00 179.45 177.59 2bd0 h GLY 120 N -1.09 0.59 1.01 5.01 0.00 -1.13 -1.46 103.07 106.01 2bd0 h GLY 120 Ca -0.09 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.07 2bd0 h GLY 120 CO 0.15 0.14 0.52 -0.84 0.00 0.00 0.00 176.54 176.50 2bd0 h THR 121 N 0.47 1.21 0.09 4.70 2.02 -1.53 -1.58 112.91 118.28 2bd0 h THR 121 Ca 0.18 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2bd0 h THR 121 Cb 0.05 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 2bd0 h THR 121 CO -0.10 0.20 -0.04 0.15 0.37 0.00 0.00 175.52 176.10 2bd0 h PHE 122 N 1.07 -0.11 -0.09 3.16 3.57 -0.47 -2.11 116.94 121.96 2bd0 h PHE 122 Ca 0.29 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 2bd0 h PHE 122 Cb -0.11 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2bd0 h PHE 122 CO -0.02 0.14 -0.36 0.74 -2.23 0.00 0.00 178.31 176.58 2bd0 h PHE 123 N -0.35 0.20 -0.38 0.41 0.04 -1.18 0.11 116.94 115.79 2bd0 h PHE 123 Ca -0.01 -0.05 -0.14 0.00 2.80 0.00 0.00 57.97 60.57 2bd0 h PHE 123 Cb 0.30 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 2bd0 h PHE 123 CO 0.00 0.52 -0.30 1.25 -0.60 0.00 0.00 178.31 179.19 2bd0 h LEU 124 N 0.15 0.93 -0.47 1.54 5.85 -1.31 -2.36 115.31 119.64 2bd0 h LEU 124 Ca 0.02 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 2bd0 h LEU 124 Cb 0.72 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2bd0 h LEU 124 CO 0.05 1.18 0.10 0.74 -0.34 0.00 0.00 178.44 180.17 2bd0 h THR 125 N 0.69 1.24 -0.11 1.05 2.02 -0.98 -1.94 112.91 114.88 2bd0 h THR 125 Ca 0.07 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.41 2bd0 h THR 125 Cb 0.88 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 2bd0 h THR 125 CO 0.08 0.31 -0.08 -0.61 0.37 0.00 0.00 175.52 175.59 2bd0 h GLN 126 N 0.64 -0.08 -0.02 6.66 4.15 -0.70 0.36 115.11 126.13 2bd0 h GLN 126 Ca 0.15 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2bd0 h GLN 126 Cb 0.35 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 2bd0 h GLN 126 CO 0.01 -0.05 0.01 0.00 -1.93 0.00 0.00 178.83 176.86 2bd0 h ALA 127 N 1.02 0.02 0.00 3.38 0.00 -1.34 -3.04 119.26 119.30 2bd0 h ALA 127 Ca 0.07 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2bd0 h ALA 127 Cb 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2bd0 h ALA 127 CO -0.16 -0.38 -0.63 -0.07 0.00 0.00 0.00 179.25 178.01 2bd0 h LEU 128 N -0.16 0.00 -1.08 0.00 3.38 -1.31 -3.03 115.31 113.10 2bd0 h LEU 128 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2bd0 h LEU 128 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2bd0 h LEU 128 CO -0.00 0.63 -0.14 0.15 0.09 0.00 0.00 178.44 179.17 2bd0 h PHE 129 N 0.00 0.53 -0.93 1.13 3.57 -0.95 -2.18 116.94 118.12 2bd0 h PHE 129 Ca -0.01 -0.08 0.12 0.00 3.53 0.00 0.00 57.97 61.53 2bd0 h PHE 129 Cb 1.20 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 2bd0 h PHE 129 CO 0.00 0.61 0.59 0.00 -2.23 0.00 0.00 178.31 177.29 2bd0 h ALA 130 N 1.41 1.66 -0.09 2.41 0.00 -1.40 0.32 119.26 123.57 2bd0 h ALA 130 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2bd0 h ALA 130 Cb 0.51 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2bd0 h ALA 130 CO 0.03 0.11 -0.04 -0.07 0.00 0.00 0.00 179.25 179.29 2bd0 h LEU 131 N 0.86 0.19 -1.33 0.00 4.07 -1.47 -2.73 115.31 114.89 2bd0 h LEU 131 Ca 0.45 -0.40 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 2bd0 h LEU 131 Cb 0.54 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 2bd0 h LEU 131 CO -0.21 0.55 0.17 0.24 -1.08 0.00 0.00 178.44 178.11 2bd0 h MET 132 N -0.17 0.63 -0.73 1.13 2.86 -0.90 -0.63 114.93 117.12 2bd0 h MET 132 Ca 0.02 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2bd0 h MET 132 Cb 0.48 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 2bd0 h MET 132 CO 0.01 0.52 0.31 1.49 1.06 0.00 0.00 176.91 180.31 2bd0 h GLU 133 N 0.62 1.08 -0.15 1.72 4.81 -0.34 0.29 114.58 122.62 2bd0 h GLU 133 Ca 0.15 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 2bd0 h GLU 133 Cb 0.13 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2bd0 h GLU 133 CO -0.01 0.88 -0.50 0.00 -0.73 0.00 0.00 179.01 178.65 2bd0 h ARG 134 N 1.04 0.40 0.00 1.92 3.08 -1.08 -2.95 114.38 116.79 2bd0 h ARG 134 Ca 0.25 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 2bd0 h ARG 134 Cb 0.19 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2bd0 h ARG 134 CO -0.02 0.81 -0.44 1.96 -1.07 0.00 0.00 179.97 181.21 2bd0 h GLN 135 N 0.32 0.00 -3.68 0.04 4.20 -0.56 -3.47 115.11 111.96 2bd0 h GLN 135 Ca 0.01 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.42 2bd0 h GLN 135 Cb 0.99 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.83 2bd0 h GLN 135 CO 0.09 0.44 -0.46 1.58 -0.67 0.00 0.00 178.83 179.80 2bd0 n HIS 136 N -3.42 -1.61 -3.57 2.96 -0.00 0.98 -4.98 115.22 105.59 2bd0 n HIS 136 Ca 0.00 0.46 -0.11 0.00 -0.00 0.00 0.00 57.72 58.08 2bd0 n HIS 136 Cb 0.60 -3.70 -0.05 0.00 -0.00 0.00 0.00 29.99 26.84 2bd0 n HIS 136 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2bd0 s SER 137 N -2.88 -0.40 0.00 0.26 1.04 -1.05 -4.56 113.70 106.12 2bd0 s SER 137 Ca 0.27 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.10 2bd0 s SER 137 Cb -0.12 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2bd0 s SER 137 CO 0.33 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2bd0 n GLY 138 N 0.66 3.68 2.82 7.32 0.00 -1.25 -4.52 105.19 113.90 2bd0 n GLY 138 Ca -0.11 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 44.51 2bd0 n GLY 138 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bd0 s HIS 139 N -2.00 -0.07 -0.12 1.61 2.46 -0.57 -0.95 115.29 115.64 2bd0 s HIS 139 Ca 0.00 0.36 0.02 0.00 0.47 0.00 0.00 55.06 55.91 2bd0 s HIS 139 Cb 0.00 -0.22 -0.00 0.00 -0.13 0.00 0.00 32.58 32.23 2bd0 s HIS 139 CO 0.00 -0.16 -0.20 0.42 -2.47 0.00 0.00 174.74 172.33 2bd0 s ILE 140 N 1.49 2.40 -0.10 0.89 1.09 0.10 -1.28 121.20 125.80 2bd0 s ILE 140 Ca -0.05 -0.89 -0.02 0.00 -1.10 0.00 0.00 60.65 58.59 2bd0 s ILE 140 Cb -0.12 -1.97 -0.03 0.00 -1.06 0.00 0.00 42.46 39.28 2bd0 s ILE 140 CO -0.05 0.54 0.00 -0.36 -0.10 0.00 0.00 174.94 174.98 2bd0 s PHE 141 N 0.51 3.16 -0.17 3.97 0.40 0.46 -1.08 117.98 125.22 2bd0 s PHE 141 Ca -0.13 0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 2bd0 s PHE 141 Cb -0.17 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.56 2bd0 s PHE 141 CO 0.05 0.40 -0.17 -0.06 0.70 0.00 0.00 175.22 176.14 2bd0 s PHE 142 N -0.69 2.57 -0.67 0.36 0.40 0.50 -0.31 117.98 120.15 2bd0 s PHE 142 Ca 0.11 -1.51 -0.20 0.00 -0.60 0.00 0.00 56.93 54.73 2bd0 s PHE 142 Cb -0.12 -1.80 0.10 0.00 0.51 0.00 0.00 43.02 41.72 2bd0 s PHE 142 CO 0.02 -0.76 0.84 0.42 0.70 0.00 0.00 175.22 176.44 2bd0 s ILE 143 N 1.36 4.72 0.00 0.64 -1.09 -0.80 -0.98 121.20 125.04 2bd0 s ILE 143 Ca 0.05 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 2bd0 s ILE 143 Cb -0.13 -4.58 0.00 0.00 -1.58 0.00 0.00 42.46 36.17 2bd0 s ILE 143 CO -0.12 -1.27 0.00 0.35 -1.23 0.00 0.00 174.94 172.68 2bd0 n THR 144 N 5.55 0.00 0.00 2.92 -2.24 -0.09 -4.85 114.28 115.57 2bd0 n THR 144 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2bd0 n THR 144 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2bd0 n THR 144 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2bd0 n SER 145 N 0.00 0.00 0.24 3.42 2.88 -1.25 -4.69 113.62 114.22 2bd0 n SER 145 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 2bd0 n SER 145 Cb 0.00 0.00 0.68 0.00 -0.75 0.00 0.00 64.21 64.14 2bd0 n SER 145 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2bd0 h VAL 146 N 0.24 0.00 0.00 2.46 -1.51 -1.60 -1.31 116.25 114.53 2bd0 h VAL 146 Ca 0.00 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2bd0 h VAL 146 Cb 0.00 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2bd0 h VAL 146 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 2bd0 n ALA 147 N -1.99 2.32 0.68 5.19 0.00 -1.26 -1.82 120.51 123.62 2bd0 n ALA 147 Ca 0.01 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.46 2bd0 n ALA 147 Cb 0.25 -1.28 0.22 0.00 0.00 0.00 0.00 19.45 18.64 2bd0 n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bd0 n ALA 148 N -0.88 2.97 -0.38 0.00 0.00 -0.49 -4.22 120.51 117.50 2bd0 n ALA 148 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2bd0 n ALA 148 Cb 0.06 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2bd0 n ALA 148 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bd0 n THR 149 N -1.98 0.00 -4.02 0.00 -2.24 -0.91 -4.18 114.28 100.95 2bd0 n THR 149 Ca 0.04 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 2bd0 n THR 149 Cb 0.41 1.38 -0.14 0.00 -2.10 0.00 0.00 70.33 69.89 2bd0 n THR 149 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2bd0 s LYS 150 N -0.14 0.24 0.23 -0.78 2.20 -0.76 -5.16 119.74 115.57 2bd0 s LYS 150 Ca 0.00 -0.15 -0.00 0.00 -0.36 0.00 0.00 55.97 55.46 2bd0 s LYS 150 Cb 0.00 -0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.08 2bd0 s LYS 150 CO 0.00 0.05 0.43 0.00 -0.36 0.00 0.00 175.35 175.47 2bd0 s ALA 151 N -0.18 3.80 -0.01 3.13 0.00 -1.26 -4.24 121.76 122.99 2bd0 s ALA 151 Ca -0.00 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.12 2bd0 s ALA 151 Cb -0.02 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 21.09 2bd0 s ALA 151 CO -0.00 0.34 -0.04 -0.06 0.00 0.00 0.00 175.76 176.00 2bd0 s PHE 152 N -1.96 0.45 0.27 0.00 0.40 -1.26 -5.07 117.98 110.80 2bd0 s PHE 152 Ca 0.39 -0.08 -0.06 0.00 -0.60 0.00 0.00 56.93 56.58 2bd0 s PHE 152 Cb -0.11 -0.35 0.51 0.00 0.51 0.00 0.00 43.02 43.58 2bd0 s PHE 152 CO 0.30 -0.06 1.59 0.00 0.70 0.00 0.00 175.22 177.76 2bd0 h ARG 153 N 6.42 0.03 -0.29 0.44 3.08 -1.99 0.86 114.38 122.93 2bd0 h ARG 153 Ca -0.32 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2bd0 h ARG 153 Cb 1.18 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2bd0 h ARG 153 CO 0.49 0.02 0.00 0.72 -1.07 0.00 0.00 179.97 180.14 2bd0 n HIS 154 N -5.48 0.39 -1.62 3.04 8.25 -1.26 -4.16 115.22 114.38 2bd0 n HIS 154 Ca 0.16 -0.19 -0.12 0.00 -0.26 0.00 0.00 57.72 57.30 2bd0 n HIS 154 Cb 0.54 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.79 2bd0 n HIS 154 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2bd0 n SER 155 N 0.38 3.67 0.05 0.41 7.64 0.30 -1.69 113.62 124.37 2bd0 n SER 155 Ca 0.11 -3.80 -0.11 0.00 1.01 0.00 0.00 58.87 56.08 2bd0 n SER 155 Cb 0.26 -0.59 -0.04 0.00 -1.01 0.00 0.00 64.21 62.83 2bd0 n SER 155 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2bd0 h SER 156 N 1.44 -0.66 -0.25 6.43 4.64 -1.72 0.46 113.55 123.88 2bd0 h SER 156 Ca 0.29 0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.52 2bd0 h SER 156 Cb 1.47 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 2bd0 h SER 156 CO 0.60 -0.29 -0.56 0.40 -0.87 0.00 0.00 176.83 176.10 2bd0 h ILE 157 N -0.35 1.28 -0.39 0.95 1.08 -1.87 -2.01 117.51 116.19 2bd0 h ILE 157 Ca 0.06 -1.75 -0.01 0.00 -0.39 0.00 0.00 64.86 62.77 2bd0 h ILE 157 Cb 0.43 1.66 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 2bd0 h ILE 157 CO -0.21 0.57 0.22 0.22 -0.69 0.00 0.00 178.15 178.26 2bd0 h TYR 158 N 0.65 0.54 -0.61 1.37 3.20 -1.70 -1.72 116.97 118.69 2bd0 h TYR 158 Ca 0.01 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2bd0 h TYR 158 Cb 1.17 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 2bd0 h TYR 158 CO 0.07 0.41 0.11 0.00 -1.64 0.00 0.00 178.16 177.11 2bd0 h MET 160 N 0.92 0.81 -0.14 0.00 2.86 -0.97 0.21 114.93 118.62 2bd0 h MET 160 Ca 0.19 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.61 2bd0 h MET 160 Cb 0.38 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2bd0 h MET 160 CO 0.01 0.54 -0.62 0.66 1.06 0.00 0.00 176.91 178.56 2bd0 h SER 161 N 0.83 0.57 0.19 1.22 4.64 -0.66 -1.35 113.55 118.98 2bd0 h SER 161 Ca 0.32 -0.33 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 2bd0 h SER 161 Cb 0.13 -0.16 0.03 0.00 -0.31 0.00 0.00 62.40 62.08 2bd0 h SER 161 CO -0.16 1.04 -1.25 0.11 -0.87 0.00 0.00 176.83 175.71 2bd0 h LYS 162 N 0.37 0.58 -0.74 4.77 1.79 -0.60 -0.45 116.57 122.29 2bd0 h LYS 162 Ca -0.01 -0.80 -0.02 0.00 -2.18 0.00 0.00 60.65 57.64 2bd0 h LYS 162 Cb 1.17 0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 32.05 2bd0 h LYS 162 CO 0.11 1.36 0.36 0.74 -1.08 0.00 0.00 179.45 180.95 2bd0 h PHE 163 N 0.25 1.05 -0.58 -1.35 -1.00 -0.65 -1.86 116.94 112.80 2bd0 h PHE 163 Ca -0.18 -0.05 0.05 0.00 2.81 0.00 0.00 57.97 60.60 2bd0 h PHE 163 Cb 1.92 -0.33 -0.05 0.00 3.61 0.00 0.00 35.95 41.11 2bd0 h PHE 163 CO 0.11 0.77 0.32 0.78 -1.61 0.00 0.00 178.31 178.67 2bd0 h GLY 164 N 1.03 0.83 0.98 -1.45 0.00 -1.13 -1.51 103.07 101.82 2bd0 h GLY 164 Ca 0.25 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.38 2bd0 h GLY 164 CO -0.03 0.15 0.63 1.46 0.00 0.00 0.00 176.54 178.75 2bd0 h GLN 165 N 0.61 1.24 -0.60 4.80 4.20 -0.49 -1.38 115.11 123.49 2bd0 h GLN 165 Ca 0.25 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2bd0 h GLN 165 Cb 0.13 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 2bd0 h GLN 165 CO -0.15 0.82 0.34 -0.09 -0.67 0.00 0.00 178.83 179.08 2bd0 h ARG 166 N 1.28 0.81 -0.98 1.46 2.43 -0.52 0.37 114.38 119.24 2bd0 h ARG 166 Ca 0.36 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 2bd0 h ARG 166 Cb -0.12 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.21 2bd0 h ARG 166 CO -0.09 0.58 0.64 0.78 -1.51 0.00 0.00 179.97 180.38 2bd0 h GLY 167 N 0.88 1.38 0.75 2.80 0.00 -0.38 0.67 103.07 109.18 2bd0 h GLY 167 Ca 0.21 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 2bd0 h GLY 167 CO -0.04 0.51 -0.01 -2.00 0.00 0.00 0.00 176.54 175.00 2bd0 h LEU 168 N 1.33 0.23 -0.35 3.11 5.85 -0.79 -2.49 115.31 122.19 2bd0 h LEU 168 Ca 0.36 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.80 2bd0 h LEU 168 Cb -0.14 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 2bd0 h LEU 168 CO -0.08 0.51 -0.05 0.58 -0.34 0.00 0.00 178.44 179.07 2bd0 h VAL 169 N -0.06 0.69 -0.09 1.05 2.07 -0.41 0.70 116.25 120.19 2bd0 h VAL 169 Ca 0.03 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 2bd0 h VAL 169 Cb 0.41 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2bd0 h VAL 169 CO 0.01 0.01 -0.11 -0.33 0.02 0.00 0.00 177.57 177.16 2bd0 h GLU 170 N 0.04 0.14 -0.03 1.57 4.39 -0.85 -2.04 114.58 117.80 2bd0 h GLU 170 Ca 0.17 -0.03 -0.24 0.00 0.34 0.00 0.00 59.36 59.60 2bd0 h GLU 170 Cb 0.25 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2bd0 h GLU 170 CO -0.33 0.27 -0.94 1.15 -1.16 0.00 0.00 179.01 177.99 2bd0 h THR 171 N 0.14 1.33 -0.05 1.13 2.02 -0.82 -3.16 112.91 113.50 2bd0 h THR 171 Ca 0.03 -2.27 -0.03 0.00 0.77 0.00 0.00 66.41 64.92 2bd0 h THR 171 Cb 0.29 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 2bd0 h THR 171 CO 0.02 0.69 -0.10 0.24 0.37 0.00 0.00 175.52 176.74 2bd0 h MET 172 N 0.35 0.07 -0.45 6.66 2.86 -0.30 -1.84 114.93 122.29 2bd0 h MET 172 Ca -0.09 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2bd0 h MET 172 Cb 1.58 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.21 2bd0 h MET 172 CO 0.18 0.18 0.16 0.00 1.06 0.00 0.00 176.91 178.48 2bd0 h ARG 173 N 0.07 0.65 -0.76 1.72 3.08 -1.35 0.17 114.38 117.96 2bd0 h ARG 173 Ca 0.02 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2bd0 h ARG 173 Cb 0.22 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2bd0 h ARG 173 CO 0.01 0.55 0.35 -0.07 -1.07 0.00 0.00 179.97 179.75 2bd0 h LEU 174 N 0.64 0.99 0.12 3.04 3.38 -1.41 -2.15 115.31 119.93 2bd0 h LEU 174 Ca 0.15 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 2bd0 h LEU 174 Cb 0.16 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.68 2bd0 h LEU 174 CO -0.01 0.85 -0.75 1.88 0.09 0.00 0.00 178.44 180.50 2bd0 h TYR 175 N 1.08 0.53 -0.85 1.13 0.05 -1.40 -3.38 116.97 114.12 2bd0 h TYR 175 Ca 0.26 -0.37 0.02 0.00 0.05 0.00 0.00 58.73 58.69 2bd0 h TYR 175 Cb 0.13 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 37.80 2bd0 h TYR 175 CO 0.01 1.27 0.56 0.00 -1.05 0.00 0.00 178.16 178.95 2bd0 h ALA 176 N 0.11 1.11 0.00 3.88 0.00 -0.59 -2.67 119.26 121.09 2bd0 h ALA 176 Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bd0 h ALA 176 Cb 1.57 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2bd0 h ALA 176 CO 0.14 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2bd0 h ARG 177 N 1.10 0.00 -0.02 0.00 3.08 -1.56 -1.77 114.38 115.21 2bd0 h ARG 177 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2bd0 h ARG 177 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2bd0 h ARG 177 CO -0.10 0.00 -0.18 1.63 -1.07 0.00 0.00 179.97 180.25 2bd0 n LYS 178 N -2.75 1.61 -1.25 0.04 5.02 -1.01 -4.36 118.16 115.46 2bd0 n LYS 178 Ca -0.02 -1.21 0.04 0.00 -2.02 0.00 0.00 58.31 55.10 2bd0 n LYS 178 Cb 0.11 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.69 2bd0 n LYS 178 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bd0 n ASN 180 N 0.19 -6.01 -4.59 0.00 4.05 -1.11 -3.48 115.26 104.32 2bd0 n ASN 180 Ca 0.07 -0.33 -0.34 0.00 0.45 0.00 0.00 54.58 54.44 2bd0 n ASN 180 Cb 1.03 -4.84 -0.11 0.00 1.23 0.00 0.00 39.78 37.09 2bd0 n ASN 180 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2bd0 s VAL 181 N -3.18 3.83 -0.12 3.44 1.01 -0.83 -3.88 120.40 120.66 2bd0 s VAL 181 Ca 0.35 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 2bd0 s VAL 181 Cb -0.16 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2bd0 s VAL 181 CO 0.43 0.59 0.15 -0.13 0.00 0.00 0.00 175.10 176.13 2bd0 s ARG 182 N -0.67 3.51 -0.16 2.72 0.52 -0.13 -4.28 118.95 120.47 2bd0 s ARG 182 Ca 0.10 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.20 2bd0 s ARG 182 Cb -0.11 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.16 2bd0 s ARG 182 CO 0.02 0.74 -0.19 0.42 0.02 0.00 0.00 175.30 176.31 2bd0 s ILE 183 N -0.92 1.89 -0.13 1.52 -1.09 -1.26 -0.72 121.20 120.49 2bd0 s ILE 183 Ca 0.15 -0.85 0.03 0.00 -2.23 0.00 0.00 60.65 57.74 2bd0 s ILE 183 Cb -0.12 -1.71 0.01 0.00 -1.58 0.00 0.00 42.46 39.06 2bd0 s ILE 183 CO 0.04 0.51 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.16 2bd0 s THR 184 N 1.18 1.95 -0.40 2.92 2.01 -0.24 -4.30 115.64 118.77 2bd0 s THR 184 Ca 0.01 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 2bd0 s THR 184 Cb -0.14 -1.73 0.07 0.00 0.01 0.00 0.00 72.50 70.72 2bd0 s THR 184 CO -0.08 0.53 0.21 -0.62 -0.69 0.00 0.00 174.62 173.97 2bd0 s ASP 185 N 0.76 5.52 -0.24 3.53 -1.08 0.70 -0.37 116.67 125.49 2bd0 s ASP 185 Ca -0.09 -1.45 -0.16 0.00 -0.52 0.00 0.00 52.55 50.33 2bd0 s ASP 185 Cb -0.16 -1.94 -0.03 0.00 -1.46 0.00 0.00 42.92 39.32 2bd0 s ASP 185 CO 0.00 -0.48 0.42 -0.69 0.52 0.00 0.00 175.17 174.94 2bd0 s VAL 186 N 1.39 5.15 -0.53 1.11 1.01 -0.16 -2.03 120.40 126.35 2bd0 s VAL 186 Ca 0.02 0.72 0.04 0.00 0.00 0.00 0.00 61.98 62.76 2bd0 s VAL 186 Cb -0.22 -3.75 0.13 0.00 0.00 0.00 0.00 36.38 32.54 2bd0 s VAL 186 CO 0.02 0.17 0.27 -1.10 0.00 0.00 0.00 175.10 174.46 2bd0 s GLN 187 N 1.84 2.01 0.32 2.72 -0.21 0.53 -0.91 119.66 125.95 2bd0 s GLN 187 Ca 0.18 -2.67 -0.04 0.00 0.02 0.00 0.00 55.36 52.85 2bd0 s GLN 187 Cb -0.15 -3.33 -0.05 0.00 1.00 0.00 0.00 33.01 30.48 2bd0 s GLN 187 CO 0.09 -1.12 0.58 -1.25 -2.12 0.00 0.00 175.29 171.47 2bd0 s PRO 188 N -0.36 3.61 0.00 2.91 0.04 -1.26 -1.90 135.00 138.04 2bd0 s PRO 188 Ca 0.17 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.21 2bd0 s PRO 188 Cb -0.25 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.68 2bd0 s PRO 188 CO -0.01 0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.60 2bd0 n GLY 189 N -1.17 1.57 3.67 0.56 0.00 0.50 -2.02 105.19 108.29 2bd0 n GLY 189 Ca -0.02 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 2bd0 n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bd0 n ALA 190 N -3.00 1.57 -3.62 4.61 0.00 -1.26 -4.94 120.51 113.87 2bd0 n ALA 190 Ca 0.00 0.25 -0.28 0.00 0.00 0.00 0.00 53.44 53.42 2bd0 n ALA 190 Cb 0.00 -2.62 -0.17 0.00 0.00 0.00 0.00 19.45 16.66 2bd0 n ALA 190 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2bd0 s VAL 191 N 3.96 1.39 -0.53 0.00 1.01 -1.26 -1.08 120.40 123.89 2bd0 s VAL 191 Ca 0.88 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 62.01 2bd0 s VAL 191 Cb -0.50 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 2bd0 s VAL 191 CO 0.43 0.42 1.88 -0.47 0.00 0.00 0.00 175.10 177.36 2bd0 s TYR 192 N 0.96 1.67 0.24 5.22 5.04 -0.47 -4.86 117.35 125.15 2bd0 s TYR 192 Ca -0.08 0.81 -0.05 0.00 -2.44 0.00 0.00 57.07 55.31 2bd0 s TYR 192 Cb -0.15 -4.06 -0.02 0.00 0.35 0.00 0.00 41.96 38.07 2bd0 s TYR 192 CO -0.01 -2.48 0.30 0.95 -1.34 0.00 0.00 175.55 172.98 2bd0 s THR 193 N 8.70 0.00 0.56 4.34 -4.23 -1.26 -4.43 115.64 119.32 2bd0 s THR 193 Ca 0.72 -1.75 0.38 0.00 -1.18 0.00 0.00 61.69 59.86 2bd0 s THR 193 Cb -0.15 -2.42 0.38 0.00 1.34 0.00 0.00 72.50 71.65 2bd0 s THR 193 CO 0.25 0.00 2.17 -0.65 -0.54 0.00 0.00 174.62 175.85 2bd0 h PRO 194 N 2.40 0.00 0.00 3.99 0.11 -1.91 -1.88 132.00 134.71 2bd0 h PRO 194 Ca -0.31 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 2bd0 h PRO 194 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2bd0 h PRO 194 CO 0.44 0.00 -0.01 1.98 -0.21 0.00 0.00 178.00 180.20 2bd0 h MET 195 N 0.00 0.00 0.07 1.05 4.05 -1.96 -2.72 114.93 115.42 2bd0 h MET 195 Ca 0.00 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.10 2bd0 h MET 195 Cb 0.17 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 2bd0 h MET 195 CO 0.00 0.01 -1.78 -1.49 0.23 0.00 0.00 176.91 173.88 2bd0 h TRP 196 N 0.00 0.27 0.00 1.39 4.06 -1.67 -3.49 115.95 116.51 2bd0 h TRP 196 Ca -0.00 -0.20 0.00 0.00 2.06 0.00 0.00 58.89 60.75 2bd0 h TRP 196 Cb 0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 2bd0 h TRP 196 CO 0.00 1.38 0.00 0.41 -3.56 0.00 0.00 178.44 176.67 2bd0 n GLY 197 N 1.74 1.20 3.88 1.49 0.00 -1.03 -4.93 105.19 107.54 2bd0 n GLY 197 Ca -0.22 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 2bd0 n GLY 197 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bd0 s LYS 198 N 0.00 3.73 0.31 1.61 0.00 -1.26 -4.92 119.74 119.21 2bd0 s LYS 198 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 55.97 56.08 2bd0 s LYS 198 Cb 0.00 -2.74 -0.01 0.00 0.00 0.00 0.00 37.83 35.08 2bd0 s LYS 198 CO 0.00 0.39 0.40 0.14 0.00 0.00 0.00 175.35 176.28 2bd0 s VAL 199 N -1.74 0.00 0.00 1.79 -7.23 -1.26 -5.05 120.40 106.92 2bd0 s VAL 199 Ca 0.44 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2bd0 s VAL 199 Cb -0.12 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.28 2bd0 s VAL 199 CO 0.22 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.11 2bd0 n ASP 200 N -1.13 2.51 0.02 4.85 5.68 -1.26 -4.98 116.55 122.24 2bd0 n ASP 200 Ca 0.02 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.27 2bd0 n ASP 200 Cb 0.62 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.58 2bd0 n ASP 200 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2bd0 h ASP 201 N 0.00 -0.39 0.00 -1.12 3.04 -2.02 -3.36 116.42 112.56 2bd0 h ASP 201 Ca 0.00 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 2bd0 h ASP 201 Cb 0.00 0.15 0.00 0.00 -1.04 0.00 0.00 39.33 38.44 2bd0 h ASP 201 CO 0.00 -0.14 0.00 -1.84 -2.04 0.00 0.00 179.24 175.22 2bd0 n GLU 202 N -3.19 0.00 0.00 4.15 -0.00 -1.26 -3.51 120.64 116.83 2bd0 n GLU 202 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.14 2bd0 n GLU 202 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.54 2bd0 n GLU 202 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2bd0 n MET 203 N 0.00 0.00 -0.26 3.44 2.81 -1.26 -0.07 117.12 121.78 2bd0 n MET 203 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2bd0 n MET 203 Cb 0.00 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.58 2bd0 n MET 203 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2bd0 h GLN 204 N 0.00 -0.03 0.00 0.03 4.20 -1.79 0.81 115.11 118.32 2bd0 h GLN 204 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2bd0 h GLN 204 Cb 0.00 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2bd0 h GLN 204 CO 0.00 -0.02 0.00 0.00 -0.67 0.00 0.00 178.83 178.14 2bd0 h ALA 205 N 1.59 1.00 -0.38 3.87 0.00 -0.52 -1.82 119.26 122.99 2bd0 h ALA 205 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2bd0 h ALA 205 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2bd0 h ALA 205 CO -0.78 0.00 0.00 1.28 0.00 0.00 0.00 179.25 179.75 2bd0 n LEU 206 N -2.90 3.90 -4.49 0.00 4.77 0.26 -5.00 117.00 113.54 2bd0 n LEU 206 Ca -0.01 -2.60 -0.24 0.00 -0.03 0.00 0.00 56.01 53.13 2bd0 n LEU 206 Cb 0.17 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.69 2bd0 n LEU 206 CO 0.21 0.72 -0.38 -0.04 -1.33 0.00 0.00 177.39 176.57 2bd0 s MET 207 N -2.09 1.70 0.63 3.23 -1.94 -0.19 -4.77 119.30 115.87 2bd0 s MET 207 Ca 0.39 -1.87 -0.02 0.00 -1.71 0.00 0.00 55.69 52.48 2bd0 s MET 207 Cb 0.28 -1.48 0.05 0.00 2.01 0.00 0.00 34.83 35.69 2bd0 s MET 207 CO 0.14 0.10 0.89 -1.64 -0.01 0.00 0.00 175.02 174.51 2bd0 s MET 208 N -3.66 2.34 0.09 2.03 -1.94 -0.24 -4.86 119.30 113.06 2bd0 s MET 208 Ca 0.31 -0.57 0.05 0.00 -1.71 0.00 0.00 55.69 53.77 2bd0 s MET 208 Cb 0.03 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 2bd0 s MET 208 CO 0.14 -0.98 -0.03 -1.64 -0.01 0.00 0.00 175.02 172.50 2bd0 s MET 209 N -4.99 2.42 0.39 2.03 -1.94 -1.26 -1.37 119.30 114.58 2bd0 s MET 209 Ca 0.59 -0.89 0.15 0.00 -1.71 0.00 0.00 55.69 53.83 2bd0 s MET 209 Cb -0.10 -2.47 1.02 0.00 2.01 0.00 0.00 34.83 35.28 2bd0 s MET 209 CO 0.41 0.53 1.82 -1.00 -0.01 0.00 0.00 175.02 176.78 2bd0 h PRO 210 N 3.52 0.47 0.00 2.03 0.13 -1.92 0.12 132.00 136.35 2bd0 h PRO 210 Ca -0.48 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2bd0 h PRO 210 Cb 1.17 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2bd0 h PRO 210 CO 0.57 0.31 -0.06 1.05 -0.23 0.00 0.00 178.00 179.64 2bd0 h GLU 211 N 0.48 0.00 0.00 0.86 9.09 -1.92 -1.56 114.58 121.53 2bd0 h GLU 211 Ca 0.52 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.85 2bd0 h GLU 211 Cb 1.20 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.28 2bd0 h GLU 211 CO -0.24 0.06 -0.40 -0.44 0.05 0.00 0.00 179.01 178.04 2bd0 h ASP 212 N 0.00 0.00 0.18 3.06 3.32 -1.15 -2.44 116.42 119.39 2bd0 h ASP 212 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 2bd0 h ASP 212 Cb 0.30 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.86 2bd0 h ASP 212 CO 0.01 0.40 -1.72 0.40 -1.72 0.00 0.00 179.24 176.60 2bd0 h ILE 213 N 0.00 0.94 -0.87 0.35 1.08 -1.37 -3.37 117.51 114.28 2bd0 h ILE 213 Ca -0.00 -2.50 0.00 0.00 -0.39 0.00 0.00 64.86 61.97 2bd0 h ILE 213 Cb 0.79 2.76 -0.04 0.00 -3.07 0.00 0.00 36.82 37.26 2bd0 h ILE 213 CO 0.05 0.85 0.55 0.00 -0.69 0.00 0.00 178.15 178.91 2bd0 h ALA 214 N 0.10 1.32 0.26 1.87 0.00 -1.23 -3.10 119.26 118.48 2bd0 h ALA 214 Ca -0.34 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2bd0 h ALA 214 Cb 2.07 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 2bd0 h ALA 214 CO 0.17 0.60 -0.44 0.00 0.00 0.00 0.00 179.25 179.58 2bd0 h ALA 215 N 1.41 -0.86 0.00 0.00 0.00 -1.60 -2.20 119.26 116.00 2bd0 h ALA 215 Ca 0.32 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2bd0 h ALA 215 Cb -0.09 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2bd0 h ALA 215 CO -0.06 -1.04 -0.17 -1.00 0.00 0.00 0.00 179.25 176.98 2bd0 h PRO 216 N -0.77 0.00 0.06 0.00 0.13 -1.75 -1.81 132.00 127.86 2bd0 h PRO 216 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2bd0 h PRO 216 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2bd0 h PRO 216 CO -0.17 0.17 -0.03 0.28 -0.23 0.00 0.00 178.00 178.02 2bd0 h VAL 217 N 0.00 1.07 -0.50 1.56 2.07 -1.39 -0.49 116.25 118.57 2bd0 h VAL 217 Ca -0.00 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 2bd0 h VAL 217 Cb 0.39 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2bd0 h VAL 217 CO 0.02 0.11 -0.04 0.58 0.02 0.00 0.00 177.57 178.26 2bd0 h VAL 218 N -0.27 1.26 -0.74 2.57 2.07 -1.20 -2.31 116.25 117.62 2bd0 h VAL 218 Ca -0.01 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 2bd0 h VAL 218 Cb 0.24 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2bd0 h VAL 218 CO 0.01 0.39 0.29 1.56 0.02 0.00 0.00 177.57 179.85 2bd0 h GLN 219 N 0.80 1.11 -0.67 1.57 1.08 -1.22 -1.19 115.11 116.59 2bd0 h GLN 219 Ca 0.15 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 57.10 2bd0 h GLN 219 Cb 0.53 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 2bd0 h GLN 219 CO 0.03 0.90 0.22 0.00 -0.95 0.00 0.00 178.83 179.03 2bd0 h ALA 220 N 1.24 1.13 -0.33 3.87 0.00 -0.73 -2.34 119.26 122.09 2bd0 h ALA 220 Ca 0.25 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2bd0 h ALA 220 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2bd0 h ALA 220 CO -0.02 0.60 -0.23 -0.92 0.00 0.00 0.00 179.25 178.68 2bd0 h TYR 221 N 0.98 0.72 0.00 0.00 3.20 -0.87 -2.83 116.97 118.17 2bd0 h TYR 221 Ca 0.22 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2bd0 h TYR 221 Cb 0.26 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.35 2bd0 h TYR 221 CO 0.02 0.81 0.00 1.28 -1.64 0.00 0.00 178.16 178.63 2bd0 n LEU 222 N -4.12 0.00 -4.75 2.82 4.77 -0.50 -4.83 117.00 110.39 2bd0 n LEU 222 Ca -0.00 0.24 -0.36 0.00 -0.03 0.00 0.00 56.01 55.87 2bd0 n LEU 222 Cb 0.42 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2bd0 n LEU 222 CO 0.43 -0.04 0.84 -1.10 -1.33 0.00 0.00 177.39 176.19 2bd0 s GLN 223 N -2.49 2.83 0.65 3.23 -1.52 -0.99 -4.95 119.66 116.42 2bd0 s GLN 223 Ca 0.26 1.82 -0.18 0.00 -1.95 0.00 0.00 55.36 55.31 2bd0 s GLN 223 Cb 0.17 -1.91 -0.02 0.00 -0.22 0.00 0.00 33.01 31.03 2bd0 s GLN 223 CO 0.37 -1.31 1.20 -2.30 -0.25 0.00 0.00 175.29 172.99 2bd0 n PRO 224 N -1.79 1.01 -0.08 2.91 -0.02 -1.26 -4.84 135.00 130.93 2bd0 n PRO 224 Ca 0.14 0.40 0.25 0.00 -2.02 0.00 0.00 63.50 62.26 2bd0 n PRO 224 Cb 0.50 -2.43 0.72 0.00 -0.02 0.00 0.00 33.50 32.26 2bd0 n PRO 224 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2bd0 h SER 225 N 0.43 0.00 0.31 2.55 4.64 -1.93 -1.11 113.55 118.44 2bd0 h SER 225 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 2bd0 h SER 225 Cb 1.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2bd0 h SER 225 CO 0.52 0.00 -0.05 0.08 -0.87 0.00 0.00 176.83 176.51 2bd0 h ARG 226 N 0.00 0.00 -6.19 4.77 0.11 -2.01 -3.44 114.38 107.63 2bd0 h ARG 226 Ca 0.34 0.00 -0.69 0.00 0.10 0.00 0.00 59.98 59.73 2bd0 h ARG 226 Cb 1.43 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 32.22 2bd0 h ARG 226 CO -0.00 0.05 -0.86 0.99 0.10 0.00 0.00 179.97 180.25 2bd0 s THR 227 N -4.16 2.28 -0.12 0.08 2.01 -0.42 -5.12 115.64 110.19 2bd0 s THR 227 Ca -0.03 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 60.99 2bd0 s THR 227 Cb 0.13 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.81 2bd0 s THR 227 CO 0.52 0.57 -0.18 0.54 -0.69 0.00 0.00 174.62 175.38 2bd0 s VAL 228 N -0.35 1.73 -0.72 3.82 0.11 -1.26 -4.69 120.40 119.04 2bd0 s VAL 228 Ca 0.02 -0.79 -0.24 0.00 -2.93 0.00 0.00 61.98 58.04 2bd0 s VAL 228 Cb -0.12 -1.55 0.06 0.00 -1.53 0.00 0.00 36.38 33.23 2bd0 s VAL 228 CO 0.02 0.49 1.13 -0.69 -3.33 0.00 0.00 175.10 172.71 2bd0 s VAL 229 N 0.84 4.08 0.14 2.04 1.01 -1.26 -4.87 120.40 122.38 2bd0 s VAL 229 Ca -0.08 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 2bd0 s VAL 229 Cb -0.15 -4.80 -0.03 0.00 0.00 0.00 0.00 36.38 31.39 2bd0 s VAL 229 CO -0.00 -1.65 1.49 -0.33 0.00 0.00 0.00 175.10 174.61 2bd0 h GLU 230 N 9.74 0.93 -3.65 2.72 5.08 -1.95 -3.39 114.58 124.05 2bd0 h GLU 230 Ca -0.24 -0.46 -0.19 0.00 -1.00 0.00 0.00 59.36 57.47 2bd0 h GLU 230 Cb 1.06 -0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.06 2bd0 h GLU 230 CO 1.23 1.11 -0.63 -1.21 -1.00 0.00 0.00 179.01 178.51 2bd0 s GLU 231 N -4.49 0.19 -0.08 2.33 2.02 -1.26 -0.21 118.70 117.19 2bd0 s GLU 231 Ca -0.11 -0.14 -0.03 0.00 0.02 0.00 0.00 54.97 54.71 2bd0 s GLU 231 Cb 0.11 0.08 0.04 0.00 0.10 0.00 0.00 34.13 34.46 2bd0 s GLU 231 CO 0.87 -0.03 0.06 0.42 0.02 0.00 0.00 175.26 176.60 2bd0 s ILE 232 N -0.50 -0.03 -0.20 -1.63 1.01 -0.86 -4.96 121.20 114.03 2bd0 s ILE 232 Ca -0.06 0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 2bd0 s ILE 232 Cb -0.04 -0.33 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 2bd0 s ILE 232 CO 0.00 0.06 -0.04 -0.63 0.00 0.00 0.00 174.94 174.33 2bd0 s ILE 233 N 2.13 3.59 -0.01 2.92 1.09 -1.26 -0.35 121.20 129.30 2bd0 s ILE 233 Ca 0.04 -0.43 0.05 0.00 -1.10 0.00 0.00 60.65 59.21 2bd0 s ILE 233 Cb -0.13 -2.61 -0.01 0.00 -1.06 0.00 0.00 42.46 38.64 2bd0 s ILE 233 CO -0.05 0.44 -0.17 -0.76 -0.10 0.00 0.00 174.94 174.30 2bd0 s LEU 234 N 1.09 2.03 0.14 2.97 1.02 -0.80 -4.99 118.68 120.14 2bd0 s LEU 234 Ca 0.02 -0.31 -0.07 0.00 0.02 0.00 0.00 54.13 53.78 2bd0 s LEU 234 Cb -0.15 -0.89 -0.01 0.00 0.02 0.00 0.00 46.19 45.16 2bd0 s LEU 234 CO 0.00 0.21 0.21 -0.13 0.02 0.00 0.00 176.35 176.67 2bd0 s ARG 235 N -0.40 1.02 0.49 1.70 0.52 -1.26 -0.37 118.95 120.65 2bd0 s ARG 235 Ca 0.07 -1.17 -0.22 0.00 -0.52 0.00 0.00 55.73 53.89 2bd0 s ARG 235 Cb -0.07 0.34 -0.07 0.00 0.52 0.00 0.00 34.95 35.68 2bd0 s ARG 235 CO -0.01 -0.35 1.18 -2.14 0.02 0.00 0.00 175.30 174.01 2bd0 s PRO 236 N -3.95 3.60 0.58 3.54 0.02 -1.26 -4.87 135.00 132.66 2bd0 s PRO 236 Ca 0.15 1.80 0.28 0.00 0.02 0.00 0.00 61.00 63.25 2bd0 s PRO 236 Cb 0.05 -2.31 1.59 0.00 0.02 0.00 0.00 34.50 33.84 2bd0 s PRO 236 CO -0.03 -0.69 2.07 1.15 -0.33 0.00 0.00 177.00 179.17 2bd0 h THR 237 N 1.69 0.51 -0.00 0.99 2.02 -1.96 0.85 112.91 117.00 2bd0 h THR 237 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2bd0 h THR 237 Cb 1.26 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 2bd0 h THR 237 CO 0.59 0.00 -0.03 -1.54 0.37 0.00 0.00 175.52 174.91 2bd0 n SER 238 N -3.88 0.31 0.00 4.18 3.41 -1.26 -5.03 113.62 111.34 2bd0 n SER 238 Ca 0.03 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 2bd0 n SER 238 Cb 0.38 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2bd0 n SER 238 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bd0 n GLY 239 N 1.16 -2.43 3.76 5.00 0.00 0.29 -4.91 105.19 108.06 2bd0 n GLY 239 Ca 0.19 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 2bd0 n GLY 239 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bd0 s ASP 240 N -2.83 5.97 0.00 1.61 1.01 -1.26 -4.55 116.67 116.63 2bd0 s ASP 240 Ca 0.00 2.55 0.09 0.00 0.71 0.00 0.00 52.55 55.90 2bd0 s ASP 240 Cb 0.00 -2.62 0.07 0.00 1.01 0.00 0.00 42.92 41.38 2bd0 s ASP 240 CO 0.00 -1.07 0.80 2.30 0.21 0.00 0.00 175.17 177.40