#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bes n MET 4 N 0.00 0.36 -2.66 1.61 1.56 -1.26 -4.92 117.12 111.82 2bes n MET 4 Ca 0.00 0.15 -0.42 0.00 -0.27 0.00 0.00 57.70 57.16 2bes n MET 4 Cb 0.00 -1.13 -0.03 0.00 2.15 0.00 0.00 33.22 34.21 2bes n MET 4 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2bes s ARG 5 N -2.50 4.58 -0.16 2.12 0.52 -1.26 -1.78 118.95 120.47 2bes s ARG 5 Ca -0.22 1.50 -0.02 0.00 -0.52 0.00 0.00 55.73 56.47 2bes s ARG 5 Cb 0.05 -3.41 0.05 0.00 0.52 0.00 0.00 34.95 32.16 2bes s ARG 5 CO 0.30 -0.01 0.02 0.08 0.02 0.00 0.00 175.30 175.71 2bes s VAL 6 N 0.69 0.50 -0.19 3.52 1.01 -1.03 -1.96 120.40 122.95 2bes s VAL 6 Ca 0.52 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.90 2bes s VAL 6 Cb -0.23 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 2bes s VAL 6 CO 0.29 -0.06 0.76 -0.31 0.00 0.00 0.00 175.10 175.78 2bes s TYR 7 N 1.89 3.39 -0.16 5.22 1.51 -0.64 -1.54 117.35 127.01 2bes s TYR 7 Ca 0.01 1.12 -0.01 0.00 -1.01 0.00 0.00 57.07 57.18 2bes s TYR 7 Cb -0.16 -2.94 -0.01 0.00 -0.11 0.00 0.00 41.96 38.74 2bes s TYR 7 CO -0.07 -0.24 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.49 2bes s LEU 8 N 2.17 2.63 0.16 -1.29 1.02 -0.77 -1.11 118.68 121.49 2bes s LEU 8 Ca 0.34 -0.41 0.11 0.00 0.02 0.00 0.00 54.13 54.19 2bes s LEU 8 Cb -0.16 -1.61 -0.04 0.00 0.02 0.00 0.00 46.19 44.40 2bes s LEU 8 CO 0.11 0.10 -0.24 -0.83 0.02 0.00 0.00 176.35 175.50 2bes s GLY 9 N 0.76 1.57 -0.21 -3.19 0.00 -0.86 -1.62 107.32 103.78 2bes s GLY 9 Ca -0.05 -1.52 -0.31 0.00 0.00 0.00 0.00 44.72 42.84 2bes s GLY 9 CO 0.01 -1.53 1.17 0.00 0.00 0.00 0.00 173.10 172.76 2bes s ALA 10 N -1.45 -2.03 0.18 3.20 0.00 -0.45 -1.02 121.76 120.20 2bes s ALA 10 Ca 0.16 1.68 0.01 0.00 0.00 0.00 0.00 51.96 53.81 2bes s ALA 10 Cb -0.09 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.20 2bes s ALA 10 CO 0.07 -0.36 0.10 -0.40 0.00 0.00 0.00 175.76 175.18 2bes n ASP 11 N 0.44 0.23 -0.13 0.00 5.75 -1.15 -1.39 116.55 120.30 2bes n ASP 11 Ca -0.04 -1.17 0.07 0.00 -0.01 0.00 0.00 54.79 53.64 2bes n ASP 11 Cb 0.58 -0.06 0.40 0.00 -1.03 0.00 0.00 41.12 41.02 2bes n ASP 11 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 2bes h HIS 12 N -0.12 0.64 0.00 2.11 2.07 -1.83 -0.98 115.15 117.05 2bes h HIS 12 Ca -0.03 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.47 2bes h HIS 12 Cb 0.15 -0.21 -0.00 0.00 2.57 0.00 0.00 27.41 29.91 2bes h HIS 12 CO 0.00 0.34 -0.14 0.00 -3.07 0.00 0.00 177.93 175.06 2bes h ALA 13 N 1.65 1.01 -0.12 6.11 0.00 -1.91 -2.98 119.26 123.02 2bes h ALA 13 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2bes h ALA 13 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2bes h ALA 13 CO -0.08 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2bes n GLY 14 N 0.18 3.43 0.09 0.00 0.00 -0.97 -4.33 105.19 103.59 2bes n GLY 14 Ca 0.01 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 2bes n GLY 14 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bes h TYR 15 N 0.77 0.20 -0.48 1.61 3.20 -1.03 -1.81 116.97 119.42 2bes h TYR 15 Ca 0.00 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.74 2bes h TYR 15 Cb 0.78 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 2bes h TYR 15 CO 0.12 0.52 -0.04 0.93 -1.64 0.00 0.00 178.16 178.05 2bes h GLU 16 N -0.18 0.82 -0.07 1.82 4.39 -1.88 -2.37 114.58 117.12 2bes h GLU 16 Ca 0.02 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.35 2bes h GLU 16 Cb 0.46 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2bes h GLU 16 CO 0.01 0.84 -0.53 1.25 -1.16 0.00 0.00 179.01 179.43 2bes h LEU 17 N 0.75 0.20 -0.80 1.33 5.85 -1.90 -2.94 115.31 117.80 2bes h LEU 17 Ca 0.14 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2bes h LEU 17 Cb 0.51 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2bes h LEU 17 CO 0.03 0.69 0.06 0.50 -0.34 0.00 0.00 178.44 179.38 2bes h LYS 18 N 0.14 0.97 -0.13 1.25 3.64 -0.83 -1.41 116.57 120.19 2bes h LYS 18 Ca 0.00 -0.26 -0.12 0.00 -1.27 0.00 0.00 60.65 59.01 2bes h LYS 18 Cb 0.98 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 2bes h LYS 18 CO 0.08 0.92 -0.43 1.96 -2.27 0.00 0.00 179.45 179.70 2bes h GLN 19 N 0.91 0.32 -0.08 1.90 1.08 -1.37 -1.80 115.11 116.06 2bes h GLN 19 Ca 0.18 -0.16 -0.16 0.00 -1.45 0.00 0.00 58.65 57.06 2bes h GLN 19 Cb 0.44 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2bes h GLN 19 CO 0.02 0.69 -0.66 0.00 -0.95 0.00 0.00 178.83 177.93 2bes h ARG 20 N 0.26 0.32 -0.07 1.46 3.08 -1.32 -2.73 114.38 115.38 2bes h ARG 20 Ca 0.02 -0.24 -0.17 0.00 0.07 0.00 0.00 59.98 59.66 2bes h ARG 20 Cb 0.87 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 2bes h ARG 20 CO 0.07 0.87 -0.69 0.82 -1.07 0.00 0.00 179.97 179.97 2bes h ILE 21 N 0.23 1.40 -0.54 2.04 2.04 -1.06 -1.99 117.51 119.63 2bes h ILE 21 Ca -0.01 -2.13 -0.06 0.00 1.00 0.00 0.00 64.86 63.65 2bes h ILE 21 Cb 1.20 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 39.36 2bes h ILE 21 CO 0.11 0.63 0.11 0.40 0.00 0.00 0.00 178.15 179.40 2bes h ILE 22 N 0.21 1.25 -0.51 -0.67 2.04 -1.26 -0.84 117.51 117.74 2bes h ILE 22 Ca -0.02 -0.91 -0.12 0.00 1.00 0.00 0.00 64.86 64.81 2bes h ILE 22 Cb 1.24 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 2bes h ILE 22 CO 0.11 0.33 -0.14 -0.08 0.00 0.00 0.00 178.15 178.37 2bes h GLU 23 N 0.77 0.99 -0.28 2.37 4.57 -1.44 -2.37 114.58 119.18 2bes h GLU 23 Ca 0.17 -0.39 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 2bes h GLU 23 Cb 0.37 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 2bes h GLU 23 CO 0.01 1.06 -0.17 1.25 -1.18 0.00 0.00 179.01 179.98 2bes h HIS 24 N 0.85 0.55 -0.00 0.92 2.76 -1.21 -2.53 115.15 116.48 2bes h HIS 24 Ca 0.13 -0.10 -0.16 0.00 -2.20 0.00 0.00 60.37 58.04 2bes h HIS 24 Cb 0.71 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 2bes h HIS 24 CO 0.05 0.65 -0.77 -0.07 -1.30 0.00 0.00 177.93 176.49 2bes h LEU 25 N 0.46 0.02 -0.65 0.26 3.38 -1.04 -2.67 115.31 115.06 2bes h LEU 25 Ca 0.08 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2bes h LEU 25 Cb 0.56 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2bes h LEU 25 CO 0.04 0.78 -0.47 0.11 0.09 0.00 0.00 178.44 178.98 2bes h LYS 26 N 0.01 0.49 0.00 1.13 1.57 -1.23 -0.13 116.57 118.40 2bes h LYS 26 Ca -0.01 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2bes h LYS 26 Cb 1.36 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.68 2bes h LYS 26 CO 0.10 0.86 0.00 1.96 -0.57 0.00 0.00 179.45 181.80 2bes h GLN 27 N 0.39 0.00 -0.42 3.15 4.20 -1.29 -3.17 115.11 117.97 2bes h GLN 27 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2bes h GLN 27 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 2bes h GLN 27 CO 0.09 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.50 2bes n THR 28 N -2.83 1.98 -0.77 -0.54 -2.24 -1.02 -4.97 114.28 103.90 2bes n THR 28 Ca 0.03 -1.46 0.00 0.00 -2.27 0.00 0.00 64.05 60.35 2bes n THR 28 Cb 0.41 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 2bes n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bes n GLY 29 N 0.28 0.57 3.82 3.38 0.00 -1.17 -5.05 105.19 107.01 2bes n GLY 29 Ca 0.21 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 2bes n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bes s HIS 30 N -2.00 2.90 -0.67 1.61 3.76 -0.07 -5.03 115.29 115.80 2bes s HIS 30 Ca 0.00 -0.27 -0.01 0.00 -0.15 0.00 0.00 55.06 54.63 2bes s HIS 30 Cb 0.00 -1.65 0.17 0.00 1.11 0.00 0.00 32.58 32.20 2bes s HIS 30 CO 0.00 0.30 0.48 -2.00 -0.85 0.00 0.00 174.74 172.67 2bes s GLU 31 N -3.92 2.60 0.31 1.40 2.12 -0.73 -4.10 118.70 116.37 2bes s GLU 31 Ca 0.38 -2.76 -0.29 0.00 0.36 0.00 0.00 54.97 52.66 2bes s GLU 31 Cb -0.06 -3.68 -0.10 0.00 0.26 0.00 0.00 34.13 30.55 2bes s GLU 31 CO 0.25 -1.19 1.16 -1.25 -0.54 0.00 0.00 175.26 173.69 2bes s PRO 32 N -0.47 4.51 -0.16 4.30 0.04 -1.26 -2.45 135.00 139.50 2bes s PRO 32 Ca 0.20 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2bes s PRO 32 Cb -0.17 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.29 2bes s PRO 32 CO -0.06 0.06 -0.13 0.42 0.04 0.00 0.00 177.00 177.33 2bes s ILE 33 N -1.19 1.60 -0.49 0.56 1.01 -0.59 -4.92 121.20 117.18 2bes s ILE 33 Ca 0.47 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 60.12 2bes s ILE 33 Cb -0.34 -1.55 0.03 0.00 0.01 0.00 0.00 42.46 40.62 2bes s ILE 33 CO 0.44 0.38 0.96 -0.62 0.00 0.00 0.00 174.94 176.09 2bes s ASP 34 N 1.46 6.47 0.09 3.58 3.68 -1.26 -1.84 116.67 128.84 2bes s ASP 34 Ca 0.03 0.03 0.27 0.00 2.13 0.00 0.00 52.55 55.01 2bes s ASP 34 Cb -0.14 -2.46 0.90 0.00 -1.45 0.00 0.00 42.92 39.77 2bes s ASP 34 CO -0.10 -1.14 1.74 0.00 0.13 0.00 0.00 175.17 175.80 2bes n GLY 36 N 1.41 3.02 3.76 0.00 0.00 -1.25 -4.91 105.19 107.22 2bes n GLY 36 Ca 0.06 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 2bes n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bes s ALA 37 N -2.77 3.30 -0.34 4.61 0.00 -0.49 -1.34 121.76 124.73 2bes s ALA 37 Ca 0.00 0.62 0.21 0.00 0.00 0.00 0.00 51.96 52.79 2bes s ALA 37 Cb 0.00 -3.21 0.23 0.00 0.00 0.00 0.00 23.12 20.14 2bes s ALA 37 CO 0.00 0.16 1.50 -0.07 0.00 0.00 0.00 175.76 177.34 2bes h LEU 38 N 3.80 0.00 -8.91 0.00 3.38 -1.92 -3.46 115.31 108.20 2bes h LEU 38 Ca -0.46 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.12 2bes h LEU 38 Cb 1.20 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 2bes h LEU 38 CO 0.67 0.14 -0.66 0.00 0.09 0.00 0.00 178.44 178.68 2bes s ARG 39 N -3.16 1.35 -0.21 1.13 1.70 -1.26 -5.12 118.95 113.39 2bes s ARG 39 Ca 0.05 -1.68 -0.29 0.00 -0.47 0.00 0.00 55.73 53.34 2bes s ARG 39 Cb 0.06 -0.67 0.00 0.00 -0.57 0.00 0.00 34.95 33.78 2bes s ARG 39 CO 0.70 -0.08 1.11 -0.47 -1.08 0.00 0.00 175.30 175.48 2bes s TYR 40 N -3.38 3.20 -0.20 5.89 5.04 -1.26 -4.94 117.35 121.69 2bes s TYR 40 Ca 0.28 1.33 -0.02 0.00 -2.44 0.00 0.00 57.07 56.23 2bes s TYR 40 Cb 0.05 -3.34 0.06 0.00 0.35 0.00 0.00 41.96 39.09 2bes s TYR 40 CO 0.09 -0.84 0.02 0.34 -1.34 0.00 0.00 175.55 173.82 2bes s ASP 41 N 1.43 3.11 0.62 4.32 -1.08 -1.26 -5.04 116.67 118.77 2bes s ASP 41 Ca 0.47 -0.90 0.36 0.00 -0.52 0.00 0.00 52.55 51.96 2bes s ASP 41 Cb -0.17 -0.70 2.08 0.00 -1.46 0.00 0.00 42.92 42.66 2bes s ASP 41 CO 0.09 -0.30 2.31 0.00 0.52 0.00 0.00 175.17 177.79 2bes h ALA 42 N 8.19 1.31 -0.02 3.66 0.00 -1.95 -2.51 119.26 127.94 2bes h ALA 42 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2bes h ALA 42 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2bes h ALA 42 CO 0.35 -0.00 -0.16 -0.25 0.00 0.00 0.00 179.25 179.19 2bes n ASP 43 N -3.53 1.95 -4.74 0.00 8.00 -1.26 -4.92 116.55 112.04 2bes n ASP 43 Ca -0.03 -1.47 -0.34 0.00 0.71 0.00 0.00 54.79 53.66 2bes n ASP 43 Cb 0.08 0.24 0.08 0.00 -0.02 0.00 0.00 41.12 41.49 2bes n ASP 43 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2bes s ASP 44 N -1.58 4.51 -0.14 -2.24 1.47 -0.95 -5.02 116.67 112.72 2bes s ASP 44 Ca 0.16 2.19 -0.06 0.00 1.18 0.00 0.00 52.55 56.02 2bes s ASP 44 Cb 0.13 -2.57 -0.04 0.00 -0.34 0.00 0.00 42.92 40.10 2bes s ASP 44 CO 0.29 -2.04 0.06 -1.81 0.68 0.00 0.00 175.17 172.35 2bes s ASP 45 N -2.32 5.66 0.23 2.11 1.01 -1.26 -4.66 116.67 117.44 2bes s ASP 45 Ca 0.71 0.17 -0.00 0.00 0.71 0.00 0.00 52.55 54.13 2bes s ASP 45 Cb -0.25 -1.85 0.23 0.00 1.01 0.00 0.00 42.92 42.06 2bes s ASP 45 CO 0.44 0.27 1.59 0.10 0.21 0.00 0.00 175.17 177.79 2bes h TYR 46 N 5.95 0.60 -0.82 4.23 -0.00 -1.95 -3.36 116.97 121.62 2bes h TYR 46 Ca -0.44 -0.18 0.18 0.00 0.00 0.00 0.00 58.73 58.29 2bes h TYR 46 Cb 1.19 -0.13 -0.11 0.00 0.00 0.00 0.00 36.73 37.68 2bes h TYR 46 CO 0.62 0.85 0.31 -1.35 -0.00 0.00 0.00 178.16 178.59 2bes h PRO 47 N 0.41 0.38 -0.58 0.10 0.11 -1.96 -2.24 132.00 128.22 2bes h PRO 47 Ca 0.03 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 2bes h PRO 47 Cb 0.93 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 2bes h PRO 47 CO 0.08 0.25 -0.04 0.00 -0.21 0.00 0.00 178.00 178.08 2bes h ALA 48 N 1.64 0.78 -0.10 -0.75 0.00 -2.00 -0.28 119.26 118.55 2bes h ALA 48 Ca 0.48 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2bes h ALA 48 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2bes h ALA 48 CO -0.49 0.65 -0.46 0.74 0.00 0.00 0.00 179.25 179.69 2bes h PHE 49 N 0.94 0.30 0.15 0.00 -1.00 -1.64 -2.16 116.94 113.52 2bes h PHE 49 Ca 0.16 -0.09 -0.30 0.00 2.81 0.00 0.00 57.97 60.55 2bes h PHE 49 Cb 0.60 -0.06 0.01 0.00 3.61 0.00 0.00 35.95 40.11 2bes h PHE 49 CO 0.04 0.67 -1.42 0.00 -1.61 0.00 0.00 178.31 175.99 2bes h ILE 51 N 0.09 1.27 -0.18 0.00 2.04 -1.08 -1.77 117.51 117.88 2bes h ILE 51 Ca -0.21 -1.32 -0.21 0.00 1.00 0.00 0.00 64.86 64.12 2bes h ILE 51 Cb 2.04 1.54 0.01 0.00 -0.74 0.00 0.00 36.82 39.66 2bes h ILE 51 CO 0.20 0.40 -0.72 0.00 0.00 0.00 0.00 178.15 178.03 2bes h ALA 52 N 1.44 0.36 -0.32 1.87 0.00 -1.41 -1.76 119.26 119.45 2bes h ALA 52 Ca 0.03 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 2bes h ALA 52 Cb 0.69 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2bes h ALA 52 CO 0.05 0.69 -0.40 0.00 0.00 0.00 0.00 179.25 179.59 2bes h ALA 53 N 0.61 0.69 -0.09 0.00 0.00 -1.35 -2.52 119.26 116.59 2bes h ALA 53 Ca -0.04 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.21 2bes h ALA 53 Cb 1.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2bes h ALA 53 CO 0.15 0.67 -0.80 0.00 0.00 0.00 0.00 179.25 179.27 2bes h ALA 54 N 0.91 0.44 -0.21 0.00 0.00 -1.35 -2.20 119.26 116.85 2bes h ALA 54 Ca 0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2bes h ALA 54 Cb 0.96 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2bes h ALA 54 CO 0.09 0.74 0.02 1.15 0.00 0.00 0.00 179.25 181.25 2bes h THR 55 N 0.36 1.24 -0.05 0.00 2.02 -1.33 -2.41 112.91 112.74 2bes h THR 55 Ca -0.05 -0.80 -0.11 0.00 0.77 0.00 0.00 66.41 66.21 2bes h THR 55 Cb 1.41 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 2bes h THR 55 CO 0.15 0.25 -0.48 0.03 0.37 0.00 0.00 175.52 175.84 2bes h ARG 56 N 0.14 0.13 -0.21 6.66 3.08 -1.49 -2.17 114.38 120.52 2bes h ARG 56 Ca 0.06 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 2bes h ARG 56 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2bes h ARG 56 CO 0.01 0.58 -0.34 1.15 -1.07 0.00 0.00 179.97 180.29 2bes h THR 57 N 0.10 1.32 -0.10 2.04 2.02 -1.37 -2.88 112.91 114.05 2bes h THR 57 Ca 0.00 -1.56 -0.11 0.00 0.77 0.00 0.00 66.41 65.52 2bes h THR 57 Cb 0.89 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 2bes h THR 57 CO 0.07 0.48 -0.44 0.58 0.37 0.00 0.00 175.52 176.58 2bes h VAL 58 N 0.30 1.32 -0.00 3.16 2.07 -1.37 -2.83 116.25 118.89 2bes h VAL 58 Ca 0.02 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2bes h VAL 58 Cb 0.93 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2bes h VAL 58 CO 0.08 0.47 -0.01 0.00 0.02 0.00 0.00 177.57 178.13 2bes n ALA 59 N -2.47 2.66 -3.84 1.67 0.00 -0.82 -4.57 120.51 113.14 2bes n ALA 59 Ca -0.02 -0.27 -0.30 0.00 0.00 0.00 0.00 53.44 52.85 2bes n ALA 59 Cb 0.50 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 2bes n ALA 59 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bes s ASP 60 N -2.05 4.14 0.21 0.00 2.15 -1.07 -5.06 116.67 115.00 2bes s ASP 60 Ca 0.43 -2.33 -0.32 0.00 0.43 0.00 0.00 52.55 50.76 2bes s ASP 60 Cb 0.22 -1.25 -0.12 0.00 -0.30 0.00 0.00 42.92 41.46 2bes s ASP 60 CO 0.37 -0.33 1.66 -2.65 -0.17 0.00 0.00 175.17 174.05 2bes n PRO 61 N 3.97 2.59 0.00 4.34 -0.02 -1.26 -2.24 135.00 142.37 2bes n PRO 61 Ca 0.04 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2bes n PRO 61 Cb 0.38 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 2bes n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bes n GLY 62 N 3.48 1.98 3.90 -1.23 0.00 -1.26 -5.06 105.19 107.00 2bes n GLY 62 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2bes n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bes s SER 63 N -1.96 6.03 0.41 1.61 1.04 -0.95 -3.36 113.70 116.52 2bes s SER 63 Ca 0.00 1.02 0.01 0.00 0.48 0.00 0.00 55.95 57.47 2bes s SER 63 Cb 0.00 -2.15 -0.01 0.00 0.10 0.00 0.00 66.02 63.96 2bes s SER 63 CO 0.00 -0.83 0.05 0.18 0.98 0.00 0.00 173.24 173.62 2bes n LEU 64 N -2.52 0.00 -3.59 2.42 4.77 -0.83 -4.92 117.00 112.33 2bes n LEU 64 Ca 0.03 -2.76 -0.15 0.00 -0.03 0.00 0.00 56.01 53.11 2bes n LEU 64 Cb 0.56 0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 42.14 2bes n LEU 64 CO 0.55 -0.40 0.28 -0.83 -1.33 0.00 0.00 177.39 175.65 2bes s GLY 65 N -3.33 -0.42 -0.05 -0.72 0.00 0.32 -1.63 107.32 101.50 2bes s GLY 65 Ca 0.08 0.70 -0.01 0.00 0.00 0.00 0.00 44.72 45.48 2bes s GLY 65 CO 0.05 0.40 0.04 -0.42 0.00 0.00 0.00 173.10 173.17 2bes s ILE 66 N -2.05 0.06 -0.13 0.90 1.01 -0.27 -2.08 121.20 118.65 2bes s ILE 66 Ca -0.07 0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.84 2bes s ILE 66 Cb -0.01 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.16 2bes s ILE 66 CO 0.01 0.20 -0.01 0.68 0.00 0.00 0.00 174.94 175.82 2bes s VAL 67 N 1.94 4.15 0.04 2.92 -7.23 -0.62 -2.03 120.40 119.57 2bes s VAL 67 Ca 0.03 -0.28 0.09 0.00 -1.81 0.00 0.00 61.98 60.01 2bes s VAL 67 Cb -0.12 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 2bes s VAL 67 CO -0.04 0.54 -0.26 -0.76 -0.31 0.00 0.00 175.10 174.27 2bes s LEU 68 N -0.15 2.15 0.00 1.32 2.01 -0.19 -1.86 118.68 121.96 2bes s LEU 68 Ca 0.04 -0.57 0.00 0.00 0.01 0.00 0.00 54.13 53.61 2bes s LEU 68 Cb -0.13 -1.28 0.00 0.00 0.01 0.00 0.00 46.19 44.79 2bes s LEU 68 CO 0.02 0.26 0.00 0.61 1.01 0.00 0.00 176.35 178.26 2bes n GLY 69 N 1.88 3.42 0.16 -3.19 0.00 -1.08 -2.95 105.19 103.42 2bes n GLY 69 Ca -0.17 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 2bes n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bes h GLY 70 N 0.00 -0.31 0.00 -0.02 0.00 -1.86 -0.49 103.07 100.40 2bes h GLY 70 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2bes h GLY 70 CO 0.00 -0.11 -1.24 -1.14 0.00 0.00 0.00 176.54 174.05 2bes n SER 71 N -5.04 1.71 0.00 0.19 3.41 -1.26 -2.40 113.62 110.23 2bes n SER 71 Ca -0.09 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2bes n SER 71 Cb 0.26 1.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 2bes n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bes n GLY 72 N 1.65 0.43 0.14 5.00 0.00 -1.25 -3.31 105.19 107.84 2bes n GLY 72 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2bes n GLY 72 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bes h ASN 73 N 0.00 0.55 1.39 1.61 2.35 -1.94 -2.55 115.58 116.99 2bes h ASN 73 Ca 0.00 -0.84 -0.00 0.00 -0.55 0.00 0.00 56.30 54.91 2bes h ASN 73 Cb 0.21 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 2bes h ASN 73 CO 0.00 1.71 -0.02 1.23 -1.65 0.00 0.00 177.43 178.70 2bes h GLY 74 N 0.94 0.00 0.95 2.83 0.00 -1.99 -2.35 103.07 103.44 2bes h GLY 74 Ca -0.33 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.78 2bes h GLY 74 CO 0.17 0.00 -0.91 0.83 0.00 0.00 0.00 176.54 176.63 2bes h GLU 75 N 0.00 0.48 -0.06 4.80 3.07 -1.94 -2.56 114.58 118.37 2bes h GLU 75 Ca -0.00 -0.62 -0.14 0.00 -0.50 0.00 0.00 59.36 58.10 2bes h GLU 75 Cb 0.72 0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 2bes h GLU 75 CO 0.00 1.25 -0.60 -0.56 -1.40 0.00 0.00 179.01 177.70 2bes h GLN 76 N -0.00 0.20 -0.48 2.33 -0.00 -1.43 -2.27 115.11 113.46 2bes h GLN 76 Ca -0.14 -0.14 -0.04 0.00 -0.00 0.00 0.00 58.65 58.34 2bes h GLN 76 Cb 1.63 0.02 -0.02 0.00 -0.00 0.00 0.00 27.48 29.11 2bes h GLN 76 CO 0.17 0.74 0.16 0.82 -0.00 0.00 0.00 178.83 180.73 2bes h ILE 77 N 0.15 1.22 -0.58 1.86 2.04 -1.46 -0.83 117.51 119.92 2bes h ILE 77 Ca -0.01 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 65.01 2bes h ILE 77 Cb 1.10 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2bes h ILE 77 CO 0.09 0.27 -0.03 0.00 0.00 0.00 0.00 178.15 178.48 2bes h ALA 78 N 1.01 0.85 -0.17 1.87 0.00 -1.37 -2.81 119.26 118.64 2bes h ALA 78 Ca 0.16 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2bes h ALA 78 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2bes h ALA 78 CO -0.01 0.66 -0.24 0.00 0.00 0.00 0.00 179.25 179.67 2bes h ALA 79 N 1.01 1.27 0.00 0.00 0.00 -1.22 -2.93 119.26 117.39 2bes h ALA 79 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2bes h ALA 79 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bes h ALA 79 CO 0.04 0.49 0.00 -0.91 0.00 0.00 0.00 179.25 178.86 2bes h ASN 80 N 0.28 0.00 1.46 0.00 2.35 -0.90 -2.73 115.58 116.03 2bes h ASN 80 Ca 0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2bes h ASN 80 Cb 0.58 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 2bes h ASN 80 CO 0.04 0.00 -0.02 0.11 -1.65 0.00 0.00 177.43 175.91 2bes h LYS 81 N 0.00 0.00 -6.51 0.81 1.79 -1.32 -3.45 116.57 107.89 2bes h LYS 81 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2bes h LYS 81 Cb 0.64 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.31 2bes h LYS 81 CO 0.00 0.02 0.73 0.08 -1.08 0.00 0.00 179.45 179.20 2bes s VAL 82 N -3.45 3.46 0.21 0.50 1.01 -1.03 -4.97 120.40 116.13 2bes s VAL 82 Ca 0.04 1.02 -0.32 0.00 0.00 0.00 0.00 61.98 62.72 2bes s VAL 82 Cb 0.07 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 2bes s VAL 82 CO 0.61 0.06 1.67 -2.65 0.00 0.00 0.00 175.10 174.79 2bes n PRO 83 N 4.21 2.63 0.00 2.72 -0.02 -1.26 -2.35 135.00 140.93 2bes n PRO 83 Ca 0.11 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 2bes n PRO 83 Cb 0.43 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 2bes n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bes n GLY 84 N 3.55 2.67 3.80 -1.23 0.00 -1.26 -5.01 105.19 107.71 2bes n GLY 84 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2bes n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bes s ALA 85 N -2.19 3.29 -0.26 4.61 0.00 -0.99 -5.01 121.76 121.21 2bes s ALA 85 Ca 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 2bes s ALA 85 Cb 0.00 -3.00 0.09 0.00 0.00 0.00 0.00 23.12 20.21 2bes s ALA 85 CO 0.00 0.25 0.09 1.03 0.00 0.00 0.00 175.76 177.13 2bes s ARG 86 N -2.15 0.45 -0.27 0.00 0.52 -1.26 -4.80 118.95 111.43 2bes s ARG 86 Ca 0.48 -0.62 -0.00 0.00 -0.52 0.00 0.00 55.73 55.07 2bes s ARG 86 Cb -0.17 -1.71 0.04 0.00 0.52 0.00 0.00 34.95 33.63 2bes s ARG 86 CO 0.21 -0.88 -0.05 0.00 0.02 0.00 0.00 175.30 174.60 2bes s ALA 88 N 1.24 3.34 -0.39 0.00 0.00 -0.98 -4.87 121.76 120.11 2bes s ALA 88 Ca -0.04 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 2bes s ALA 88 Cb -0.19 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.31 2bes s ALA 88 CO -0.04 -0.53 0.26 -1.17 0.00 0.00 0.00 175.76 174.28 2bes s LEU 89 N -4.87 4.87 -0.32 0.00 1.98 -1.26 -0.51 118.68 118.58 2bes s LEU 89 Ca 0.50 -0.82 -0.16 0.00 -2.89 0.00 0.00 54.13 50.76 2bes s LEU 89 Cb -0.10 -2.12 -0.02 0.00 0.66 0.00 0.00 46.19 44.61 2bes s LEU 89 CO 0.46 -0.39 0.43 0.00 -1.89 0.00 0.00 176.35 174.96 2bes s ALA 90 N 1.66 3.51 0.00 5.97 0.00 -0.65 -4.89 121.76 127.36 2bes s ALA 90 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2bes s ALA 90 Cb -0.19 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2bes s ALA 90 CO 0.09 -0.99 0.97 -2.67 0.00 0.00 0.00 175.76 173.17 2bes n TRP 91 N 5.50 0.00 -3.72 0.00 4.27 -1.26 -4.53 117.44 117.70 2bes n TRP 91 Ca -0.07 -0.47 -0.06 0.00 -3.89 0.00 0.00 57.50 53.01 2bes n TRP 91 Cb 0.50 -0.05 -0.02 0.00 -1.36 0.00 0.00 31.31 30.38 2bes n TRP 91 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2bes s SER 92 N -0.94 -0.26 0.23 -0.67 1.04 -1.26 -5.02 113.70 106.82 2bes s SER 92 Ca 0.00 -0.37 -0.07 0.00 0.48 0.00 0.00 55.95 55.99 2bes s SER 92 Cb 0.00 0.54 0.20 0.00 0.10 0.00 0.00 66.02 66.87 2bes s SER 92 CO 0.00 -0.98 1.85 0.58 0.98 0.00 0.00 173.24 175.67 2bes h VAL 93 N 2.00 1.26 -0.41 5.02 2.07 -1.91 -2.20 116.25 122.07 2bes h VAL 93 Ca -0.23 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2bes h VAL 93 Cb 1.24 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2bes h VAL 93 CO 0.27 0.29 0.20 -0.61 0.02 0.00 0.00 177.57 177.74 2bes h GLN 94 N 1.24 0.60 0.00 1.57 4.15 -1.97 -1.98 115.11 118.72 2bes h GLN 94 Ca 0.31 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 59.53 2bes h GLN 94 Cb 0.04 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 2bes h GLN 94 CO -0.05 0.52 -0.56 1.79 -1.93 0.00 0.00 178.83 178.59 2bes h THR 95 N 0.53 1.09 -0.31 2.39 1.35 -1.92 -1.08 112.91 114.96 2bes h THR 95 Ca 0.14 -2.19 -0.14 0.00 -0.55 0.00 0.00 66.41 63.68 2bes h THR 95 Cb 0.11 2.30 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2bes h THR 95 CO -0.02 0.55 -0.35 0.00 -0.25 0.00 0.00 175.52 175.45 2bes h ALA 96 N 1.44 0.46 -0.38 6.62 0.00 -1.33 -1.83 119.26 124.24 2bes h ALA 96 Ca -0.01 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 2bes h ALA 96 Cb 1.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2bes h ALA 96 CO 0.07 0.53 -0.37 0.00 0.00 0.00 0.00 179.25 179.49 2bes h ALA 97 N 0.71 0.55 0.00 0.00 0.00 -1.25 -3.09 119.26 116.18 2bes h ALA 97 Ca 0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 2bes h ALA 97 Cb 0.94 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2bes h ALA 97 CO 0.09 0.64 -0.47 -0.07 0.00 0.00 0.00 179.25 179.44 2bes h LEU 98 N 0.72 0.00 -0.50 0.00 3.38 -1.23 -1.32 115.31 116.36 2bes h LEU 98 Ca 0.06 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2bes h LEU 98 Cb 0.96 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2bes h LEU 98 CO 0.09 0.47 0.31 0.00 0.09 0.00 0.00 178.44 179.40 2bes h ALA 99 N 1.53 0.64 -0.01 1.53 0.00 -1.25 -0.31 119.26 121.39 2bes h ALA 99 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2bes h ALA 99 Cb 0.96 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2bes h ALA 99 CO 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 179.25 179.33 2bes h ARG 100 N 0.63 0.02 -0.11 0.00 2.47 -1.48 -1.39 114.38 114.52 2bes h ARG 100 Ca 0.19 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 2bes h ARG 100 Cb -0.02 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2bes h ARG 100 CO -0.07 0.55 0.02 1.49 0.56 0.00 0.00 179.97 182.52 2bes h GLU 101 N -0.51 0.17 0.02 0.04 4.81 -1.13 -2.82 114.58 115.16 2bes h GLU 101 Ca 0.00 -0.05 -0.36 0.00 -0.13 0.00 0.00 59.36 58.83 2bes h GLU 101 Cb 0.55 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 2bes h GLU 101 CO 0.00 0.37 -1.99 0.72 -0.73 0.00 0.00 179.01 177.39 2bes n HIS 102 N -4.85 0.58 1.03 0.92 8.25 -0.14 -3.19 115.22 117.82 2bes n HIS 102 Ca -0.06 0.20 0.11 0.00 -0.26 0.00 0.00 57.72 57.72 2bes n HIS 102 Cb 0.17 -1.06 0.12 0.00 1.12 0.00 0.00 29.99 30.33 2bes n HIS 102 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2bes n ASN 103 N -4.04 0.87 -3.86 0.41 5.03 -0.96 -4.78 115.26 107.93 2bes n ASN 103 Ca -0.42 -0.70 -0.31 0.00 0.87 0.00 0.00 54.58 54.03 2bes n ASN 103 Cb 0.86 0.51 -0.00 0.00 -1.02 0.00 0.00 39.78 40.12 2bes n ASN 103 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2bes n ASN 104 N -1.26 -3.92 -4.65 6.41 5.15 -0.61 -4.87 115.26 111.51 2bes n ASN 104 Ca 0.06 -0.75 -0.42 0.00 -0.60 0.00 0.00 54.58 52.87 2bes n ASN 104 Cb 0.35 -3.19 -0.03 0.00 -0.53 0.00 0.00 39.78 36.38 2bes n ASN 104 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bes s ALA 105 N -3.17 3.45 -0.22 5.20 0.00 -0.69 -4.87 121.76 121.46 2bes s ALA 105 Ca 0.62 0.86 0.28 0.00 0.00 0.00 0.00 51.96 53.71 2bes s ALA 105 Cb -0.33 -3.81 0.88 0.00 0.00 0.00 0.00 23.12 19.86 2bes s ALA 105 CO 0.76 -1.68 1.80 1.96 0.00 0.00 0.00 175.76 178.60 2bes h GLN 106 N 10.44 0.00 -4.68 0.00 7.50 -1.84 -3.43 115.11 123.11 2bes h GLN 106 Ca -0.39 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 58.52 2bes h GLN 106 Cb 1.18 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 28.56 2bes h GLN 106 CO 0.97 0.00 -0.70 -0.51 -1.50 0.00 0.00 178.83 177.08 2bes s LEU 107 N -5.94 2.48 0.03 1.46 1.02 -1.16 -0.52 118.68 116.04 2bes s LEU 107 Ca 0.04 -0.95 0.02 0.00 0.02 0.00 0.00 54.13 53.26 2bes s LEU 107 Cb 0.08 -0.10 -0.02 0.00 0.02 0.00 0.00 46.19 46.17 2bes s LEU 107 CO 0.59 -0.43 -0.06 0.27 0.02 0.00 0.00 176.35 176.74 2bes s ILE 108 N -3.34 0.46 -0.01 -0.59 -4.36 -0.88 -2.32 121.20 110.16 2bes s ILE 108 Ca 0.10 -0.78 -0.04 0.00 -0.26 0.00 0.00 60.65 59.66 2bes s ILE 108 Cb 0.03 -0.49 -0.04 0.00 1.25 0.00 0.00 42.46 43.21 2bes s ILE 108 CO -0.04 -0.23 0.21 -0.83 0.24 0.00 0.00 174.94 174.29 2bes s GLY 109 N -1.09 2.20 -0.01 6.27 0.00 0.33 -1.59 107.32 113.43 2bes s GLY 109 Ca -0.07 -0.69 0.02 0.00 0.00 0.00 0.00 44.72 43.98 2bes s GLY 109 CO 0.00 -0.54 -0.06 -0.42 0.00 0.00 0.00 173.10 172.08 2bes s ILE 110 N -1.31 0.48 -0.38 0.90 1.01 -0.78 -1.64 121.20 119.49 2bes s ILE 110 Ca 0.27 -0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.50 2bes s ILE 110 Cb -0.13 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 41.91 2bes s ILE 110 CO 0.17 0.16 0.62 -0.83 0.00 0.00 0.00 174.94 175.06 2bes s GLY 111 N 0.13 1.75 0.55 6.18 0.00 -1.21 -2.63 107.32 112.09 2bes s GLY 111 Ca -0.01 -1.00 0.30 0.00 0.00 0.00 0.00 44.72 44.02 2bes s GLY 111 CO -0.00 1.48 2.12 -1.33 0.00 0.00 0.00 173.10 175.37 2bes h GLY 112 N 9.45 0.00 1.47 0.20 0.00 -0.99 -2.45 103.07 110.75 2bes h GLY 112 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2bes h GLY 112 CO 0.85 0.00 -0.33 0.54 0.00 0.00 0.00 176.54 177.60 2bes n ARG 113 N -3.54 0.13 0.07 4.80 1.74 -1.01 -4.15 116.66 114.69 2bes n ARG 113 Ca -0.02 0.06 0.11 0.00 -0.77 0.00 0.00 57.85 57.24 2bes n ARG 113 Cb 0.21 -1.61 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 2bes n ARG 113 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2bes n MET 114 N -1.81 0.59 -4.29 5.56 2.81 -0.93 -4.99 117.12 114.07 2bes n MET 114 Ca 0.05 0.03 -0.15 0.00 -1.81 0.00 0.00 57.70 55.82 2bes n MET 114 Cb 0.38 -1.73 -0.10 0.00 -0.71 0.00 0.00 33.22 31.06 2bes n MET 114 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2bes s HIS 115 N -3.39 1.40 0.88 2.03 3.76 -1.23 -5.10 115.29 113.64 2bes s HIS 115 Ca -0.02 -0.88 -0.13 0.00 -0.15 0.00 0.00 55.06 53.88 2bes s HIS 115 Cb 0.11 -0.78 0.13 0.00 1.11 0.00 0.00 32.58 33.15 2bes s HIS 115 CO 0.82 -0.02 1.21 0.95 -0.85 0.00 0.00 174.74 176.85 2bes s THR 116 N -3.42 1.99 0.14 1.30 -4.23 -1.26 -4.89 115.64 105.27 2bes s THR 116 Ca 0.23 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.60 2bes s THR 116 Cb 0.05 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.96 2bes s THR 116 CO 0.05 0.00 1.67 0.58 -0.54 0.00 0.00 174.62 176.38 2bes h VAL 117 N -1.34 1.22 -0.68 2.29 2.07 -2.00 -2.37 116.25 115.44 2bes h VAL 117 Ca -0.46 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 2bes h VAL 117 Cb 1.30 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2bes h VAL 117 CO 0.57 0.27 0.27 0.00 0.02 0.00 0.00 177.57 178.70 2bes h ALA 118 N 1.00 1.19 -0.24 1.67 0.00 -2.00 -1.88 119.26 119.01 2bes h ALA 118 Ca 0.15 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2bes h ALA 118 Cb 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2bes h ALA 118 CO -0.01 0.59 -0.38 0.93 0.00 0.00 0.00 179.25 180.39 2bes h GLU 119 N 0.99 0.54 -0.16 0.00 5.08 -1.91 -2.72 114.58 116.40 2bes h GLU 119 Ca 0.23 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 2bes h GLU 119 Cb 0.19 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2bes h GLU 119 CO -0.02 0.84 -0.66 0.00 -1.00 0.00 0.00 179.01 178.17 2bes h ALA 120 N 1.14 0.54 -0.01 3.43 0.00 -1.07 -2.77 119.26 120.52 2bes h ALA 120 Ca 0.04 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 2bes h ALA 120 Cb 0.86 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2bes h ALA 120 CO 0.07 0.71 -0.54 -0.07 0.00 0.00 0.00 179.25 179.43 2bes h LEU 121 N 0.44 0.03 -0.67 0.00 3.38 -1.33 -1.95 115.31 115.22 2bes h LEU 121 Ca -0.02 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2bes h LEU 121 Cb 1.24 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2bes h LEU 121 CO 0.13 0.56 -0.46 0.00 0.09 0.00 0.00 178.44 178.75 2bes h ALA 122 N 1.44 0.84 -0.56 1.53 0.00 -1.45 -1.44 119.26 119.63 2bes h ALA 122 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2bes h ALA 122 Cb 0.95 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2bes h ALA 122 CO 0.07 0.66 0.10 0.82 0.00 0.00 0.00 179.25 180.90 2bes h ILE 123 N 0.39 1.25 -0.55 0.00 2.04 -1.24 -2.47 117.51 116.94 2bes h ILE 123 Ca 0.02 -0.95 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 2bes h ILE 123 Cb 0.96 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 2bes h ILE 123 CO 0.08 0.35 0.06 0.58 0.00 0.00 0.00 178.15 179.22 2bes h VAL 124 N 0.82 1.25 -0.52 1.67 2.07 -1.21 -2.25 116.25 118.08 2bes h VAL 124 Ca 0.17 -0.98 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 2bes h VAL 124 Cb 0.40 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2bes h VAL 124 CO 0.01 0.36 0.02 0.44 0.02 0.00 0.00 177.57 178.41 2bes h ASP 125 N 0.84 0.89 0.01 0.57 3.32 -1.12 -2.34 116.42 118.59 2bes h ASP 125 Ca 0.17 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 2bes h ASP 125 Cb 0.42 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2bes h ASP 125 CO 0.01 0.97 -0.25 0.00 -1.72 0.00 0.00 179.24 178.25 2bes h ALA 126 N 0.95 1.19 -0.18 3.45 0.00 -1.32 -2.63 119.26 120.73 2bes h ALA 126 Ca 0.15 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2bes h ALA 126 Cb 0.50 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2bes h ALA 126 CO 0.02 0.52 -0.11 0.35 0.00 0.00 0.00 179.25 180.04 2bes h PHE 127 N 0.34 0.46 0.00 0.00 3.57 -1.13 -2.45 116.94 117.73 2bes h PHE 127 Ca 0.05 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2bes h PHE 127 Cb 0.63 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2bes h PHE 127 CO 0.02 0.71 -0.17 -0.39 -2.23 0.00 0.00 178.31 176.25 2bes h VAL 128 N 0.07 0.00 0.00 1.41 -1.51 -1.42 -3.34 116.25 111.45 2bes h VAL 128 Ca 0.04 -0.74 -0.14 0.00 -1.23 0.00 0.00 66.70 64.63 2bes h VAL 128 Cb 0.60 1.64 -0.03 0.00 -2.13 0.00 0.00 31.29 31.37 2bes h VAL 128 CO 0.03 0.00 -2.03 0.35 -1.23 0.00 0.00 177.57 174.69 2bes n THR 129 N -2.62 0.54 -2.51 7.19 -2.24 -1.00 -4.48 114.28 109.17 2bes n THR 129 Ca 0.04 -0.58 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 2bes n THR 129 Cb 0.48 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 2bes n THR 129 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bes s THR 130 N -2.93 4.42 0.50 4.28 2.01 -0.92 -5.02 115.64 117.99 2bes s THR 130 Ca -0.08 1.72 -0.18 0.00 0.31 0.00 0.00 61.69 63.46 2bes s THR 130 Cb 0.09 -4.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.41 2bes s THR 130 CO 0.76 -0.12 0.99 -2.16 -0.69 0.00 0.00 174.62 173.41 2bes s PRO 131 N 3.14 3.91 0.05 4.92 0.04 -1.26 -4.77 135.00 141.03 2bes s PRO 131 Ca 0.51 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 62.34 2bes s PRO 131 Cb -0.20 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 2bes s PRO 131 CO 0.13 -0.31 1.48 -0.46 0.04 0.00 0.00 177.00 177.88 2bes s TRP 132 N -2.39 2.82 0.33 0.56 -0.00 -1.26 -3.93 118.94 115.08 2bes s TRP 132 Ca 0.62 0.69 0.09 0.00 -0.00 0.00 0.00 56.10 57.50 2bes s TRP 132 Cb -0.12 -3.77 0.57 0.00 -0.00 0.00 0.00 33.47 30.16 2bes s TRP 132 CO 0.26 -2.90 1.76 0.66 -0.00 0.00 0.00 176.95 176.73 2bes h SER 133 N 7.70 0.14 -0.98 5.86 4.64 -1.72 -3.47 113.55 125.71 2bes h SER 133 Ca -0.40 -0.05 -0.35 0.00 -0.47 0.00 0.00 61.79 60.52 2bes h SER 133 Cb 1.19 -0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 63.12 2bes h SER 133 CO 0.90 0.52 -0.33 0.29 -0.87 0.00 0.00 176.83 177.34 2bes n LYS 134 N -4.05 -1.20 -2.22 4.77 5.02 -1.26 -4.99 118.16 114.23 2bes n LYS 134 Ca -0.02 1.07 -0.35 0.00 -2.02 0.00 0.00 58.31 57.00 2bes n LYS 134 Cb 0.45 -5.31 0.00 0.00 -0.02 0.00 0.00 35.03 30.15 2bes n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bes s ALA 135 N -2.65 2.69 0.11 7.82 0.00 -1.26 -4.89 121.76 123.57 2bes s ALA 135 Ca 0.00 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 52.50 2bes s ALA 135 Cb 0.00 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 2bes s ALA 135 CO 0.00 -0.79 1.71 0.37 0.00 0.00 0.00 175.76 177.05 2bes h GLN 136 N 1.06 -0.04 -0.38 0.00 4.15 -1.99 -2.16 115.11 115.75 2bes h GLN 136 Ca -0.49 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 58.84 2bes h GLN 136 Cb 1.25 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.94 2bes h GLN 136 CO 0.57 -0.03 -0.12 0.07 -1.93 0.00 0.00 178.83 177.39 2bes h ARG 137 N -0.04 0.67 -0.31 1.69 0.11 -1.99 -0.98 114.38 113.53 2bes h ARG 137 Ca 0.06 -0.22 -0.12 0.00 0.10 0.00 0.00 59.98 59.81 2bes h ARG 137 Cb 0.13 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.14 2bes h ARG 137 CO -0.13 0.77 -0.26 0.45 0.10 0.00 0.00 179.97 180.90 2bes h HIS 138 N 0.61 0.86 -0.51 4.08 3.86 -1.84 -2.56 115.15 119.64 2bes h HIS 138 Ca 0.11 -0.25 -0.07 0.00 -1.16 0.00 0.00 60.37 59.00 2bes h HIS 138 Cb 0.56 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 2bes h HIS 138 CO 0.03 0.99 0.03 0.37 0.86 0.00 0.00 177.93 180.20 2bes h GLN 139 N 0.48 0.84 -0.79 2.45 5.75 -1.21 -2.33 115.11 120.30 2bes h GLN 139 Ca 0.05 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.29 2bes h GLN 139 Cb 0.83 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.24 2bes h GLN 139 CO 0.07 0.82 0.33 -0.09 -2.65 0.00 0.00 178.83 177.31 2bes h ARG 140 N 0.79 1.17 -0.16 1.69 2.43 -1.11 -1.28 114.38 117.90 2bes h ARG 140 Ca 0.16 -0.20 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 2bes h ARG 140 Cb 0.43 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2bes h ARG 140 CO 0.02 0.94 -0.56 0.00 -1.51 0.00 0.00 179.97 178.85 2bes h ARG 141 N 1.14 0.49 -0.13 0.20 3.08 -1.25 -2.03 114.38 115.87 2bes h ARG 141 Ca 0.26 -0.32 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 2bes h ARG 141 Cb 0.19 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2bes h ARG 141 CO -0.02 0.92 -0.40 0.82 -1.07 0.00 0.00 179.97 180.22 2bes h ILE 142 N 0.37 1.30 -0.11 2.04 2.04 -1.23 -2.57 117.51 119.35 2bes h ILE 142 Ca 0.00 -1.50 -0.18 0.00 1.00 0.00 0.00 64.86 64.18 2bes h ILE 142 Cb 1.10 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2bes h ILE 142 CO 0.10 0.45 -0.69 0.44 0.00 0.00 0.00 178.15 178.45 2bes h ASP 143 N 0.24 0.57 -0.54 1.72 3.32 -1.02 -1.68 116.42 119.03 2bes h ASP 143 Ca 0.02 -0.35 -0.10 0.00 0.02 0.00 0.00 57.03 56.61 2bes h ASP 143 Cb 0.81 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2bes h ASP 143 CO 0.06 1.09 -0.07 0.40 -1.72 0.00 0.00 179.24 179.01 2bes h ILE 144 N 0.34 1.27 -0.47 0.35 2.04 -1.29 -1.66 117.51 118.08 2bes h ILE 144 Ca -0.02 -1.21 -0.10 0.00 1.00 0.00 0.00 64.86 64.52 2bes h ILE 144 Cb 1.26 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2bes h ILE 144 CO 0.12 0.43 -0.11 0.25 0.00 0.00 0.00 178.15 178.84 2bes h LEU 145 N 0.91 0.91 -0.99 1.44 5.85 -1.40 -2.33 115.31 119.72 2bes h LEU 145 Ca 0.15 -0.36 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 2bes h LEU 145 Cb 0.62 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2bes h LEU 145 CO 0.04 1.06 -0.44 0.00 -0.34 0.00 0.00 178.44 178.77 2bes h ALA 146 N 0.88 1.15 -0.10 1.25 0.00 -1.20 -1.90 119.26 119.34 2bes h ALA 146 Ca 0.12 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2bes h ALA 146 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2bes h ALA 146 CO 0.05 0.59 -0.55 1.49 0.00 0.00 0.00 179.25 180.82 2bes h GLU 147 N 0.12 0.30 -0.14 0.00 4.57 -1.21 -2.75 114.58 115.46 2bes h GLU 147 Ca 0.01 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 57.87 2bes h GLU 147 Cb 0.82 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 2bes h GLU 147 CO 0.06 0.77 -0.46 -0.92 -1.18 0.00 0.00 179.01 177.28 2bes h TYR 148 N 0.23 0.43 -0.19 0.92 5.03 -1.02 -2.74 116.97 119.62 2bes h TYR 148 Ca 0.00 -0.13 -0.07 0.00 2.58 0.00 0.00 58.73 61.11 2bes h TYR 148 Cb 1.05 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.22 2bes h TYR 148 CO 0.02 0.76 -0.20 0.93 -1.32 0.00 0.00 178.16 178.35 2bes h GLU 149 N 0.29 0.33 0.11 1.82 5.08 -1.17 0.57 114.58 121.61 2bes h GLU 149 Ca 0.02 -0.10 -0.27 0.00 -1.00 0.00 0.00 59.36 58.00 2bes h GLU 149 Cb 0.93 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 30.17 2bes h GLU 149 CO 0.08 0.52 -1.13 -0.09 -1.00 0.00 0.00 179.01 177.39 2bes h ARG 150 N 0.31 0.57 0.00 2.33 2.43 -1.37 -3.39 114.38 115.25 2bes h ARG 150 Ca 0.05 -0.76 -0.07 0.00 -0.81 0.00 0.00 59.98 58.39 2bes h ARG 150 Cb 0.53 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2bes h ARG 150 CO 0.03 1.34 -1.68 0.25 -1.51 0.00 0.00 179.97 178.40 2bes n THR 151 N -3.88 0.28 -2.11 0.20 -2.24 -1.05 -5.00 114.28 100.49 2bes n THR 151 Ca -0.13 -0.37 -0.18 0.00 -2.27 0.00 0.00 64.05 61.09 2bes n THR 151 Cb 0.93 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 2bes n THR 151 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2bes n HIS 152 N -2.12 -0.78 -3.29 4.78 8.25 0.19 -4.97 115.22 117.28 2bes n HIS 152 Ca -0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.94 2bes n HIS 152 Cb 0.53 -3.48 -0.08 0.00 1.12 0.00 0.00 29.99 28.07 2bes n HIS 152 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2bes s GLU 153 N -4.53 3.09 0.10 -0.41 2.02 -1.26 -5.03 118.70 112.68 2bes s GLU 153 Ca 0.00 -0.83 -0.31 0.00 0.02 0.00 0.00 54.97 53.85 2bes s GLU 153 Cb 0.00 -4.00 -0.10 0.00 0.10 0.00 0.00 34.13 30.12 2bes s GLU 153 CO 0.00 -0.93 1.87 0.00 0.02 0.00 0.00 175.26 176.22 2bes n ALA 154 N 5.67 2.07 -1.77 5.21 0.00 -1.26 -4.75 120.51 125.68 2bes n ALA 154 Ca -0.07 0.29 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 2bes n ALA 154 Cb 0.47 -2.61 -0.01 0.00 0.00 0.00 0.00 19.45 17.29 2bes n ALA 154 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bes s PRO 155 N 3.12 4.00 0.40 0.00 0.04 -1.26 -4.95 135.00 136.36 2bes s PRO 155 Ca 0.84 1.94 -0.27 0.00 0.04 0.00 0.00 61.00 63.55 2bes s PRO 155 Cb -0.47 -2.69 -0.10 0.00 0.04 0.00 0.00 34.50 31.28 2bes s PRO 155 CO 0.38 -0.39 1.35 -2.30 0.04 0.00 0.00 177.00 176.08 2bes n PRO 156 N 0.06 2.21 -2.72 0.56 -0.02 -1.26 -4.97 135.00 128.86 2bes n PRO 156 Ca 0.04 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 2bes n PRO 156 Cb 0.46 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 2bes n PRO 156 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bes s VAL 157 N -1.15 4.71 -0.06 -1.45 1.01 -1.26 -4.99 120.40 117.20 2bes s VAL 157 Ca 0.58 2.06 -0.29 0.00 0.00 0.00 0.00 61.98 64.32 2bes s VAL 157 Cb -0.51 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.49 2bes s VAL 157 CO 0.60 0.23 1.83 -2.84 0.00 0.00 0.00 175.10 174.92 2bes s PRO 158 N 0.56 3.99 0.00 2.72 0.02 -1.26 -5.34 135.00 135.69 2bes s PRO 158 Ca 0.50 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.76 2bes s PRO 158 Cb -0.22 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.20 2bes s PRO 158 CO 0.29 -1.10 0.00 0.41 -0.33 0.00 0.00 177.00 176.27