#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bes s GLY 3 N 0.00 2.65 -0.07 0.46 0.00 -1.26 -4.98 107.32 104.12 2bes s GLY 3 Ca 0.00 1.04 0.04 0.00 0.00 0.00 0.00 44.72 45.80 2bes s GLY 3 CO 0.00 1.92 -0.20 1.06 0.00 0.00 0.00 173.10 175.88 2bes s MET 4 N -0.45 2.76 0.08 2.90 1.00 -1.26 -4.95 119.30 119.38 2bes s MET 4 Ca 0.53 -0.81 -0.30 0.00 0.00 0.00 0.00 55.69 55.11 2bes s MET 4 Cb -0.35 -2.33 -0.05 0.00 0.00 0.00 0.00 34.83 32.10 2bes s MET 4 CO 0.39 0.39 1.07 0.50 0.00 0.00 0.00 175.02 177.37 2bes s ARG 5 N -0.14 4.55 -0.12 2.03 3.52 -1.26 -1.86 118.95 125.67 2bes s ARG 5 Ca -0.03 1.60 -0.02 0.00 -0.13 0.00 0.00 55.73 57.15 2bes s ARG 5 Cb -0.14 -3.37 0.04 0.00 -1.56 0.00 0.00 34.95 29.92 2bes s ARG 5 CO 0.04 -0.04 -0.00 0.08 -0.81 0.00 0.00 175.30 174.56 2bes s VAL 6 N 0.58 0.57 -0.25 7.11 1.01 -0.77 -0.94 120.40 127.71 2bes s VAL 6 Ca 0.53 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 62.08 2bes s VAL 6 Cb -0.26 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2bes s VAL 6 CO 0.30 0.11 0.69 -0.31 0.00 0.00 0.00 175.10 175.89 2bes s TYR 7 N 1.87 3.29 -0.09 5.22 1.51 -0.48 -0.90 117.35 127.77 2bes s TYR 7 Ca 0.03 0.92 -0.01 0.00 -1.01 0.00 0.00 57.07 57.00 2bes s TYR 7 Cb -0.14 -2.90 -0.03 0.00 -0.11 0.00 0.00 41.96 38.77 2bes s TYR 7 CO -0.07 -0.34 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.47 2bes s LEU 8 N 2.59 3.27 0.03 -1.29 1.02 -0.56 -1.27 118.68 122.47 2bes s LEU 8 Ca 0.29 -0.01 0.02 0.00 0.02 0.00 0.00 54.13 54.45 2bes s LEU 8 Cb -0.15 -1.74 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 2bes s LEU 8 CO 0.08 0.32 -0.07 -0.83 0.02 0.00 0.00 176.35 175.87 2bes s GLY 9 N -0.56 0.45 -0.05 -3.19 0.00 -0.60 -1.30 107.32 102.06 2bes s GLY 9 Ca 0.09 -0.64 -0.29 0.00 0.00 0.00 0.00 44.72 43.87 2bes s GLY 9 CO 0.02 -0.67 0.92 0.00 0.00 0.00 0.00 173.10 173.37 2bes s ALA 10 N -1.10 -1.86 0.28 3.20 0.00 -0.62 -0.71 121.76 120.96 2bes s ALA 10 Ca -0.07 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.12 2bes s ALA 10 Cb -0.08 0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.17 2bes s ALA 10 CO 0.00 -0.58 0.35 -0.40 0.00 0.00 0.00 175.76 175.13 2bes n ASP 11 N 0.05 1.20 -0.03 0.00 5.75 -1.10 -1.57 116.55 120.86 2bes n ASP 11 Ca -0.09 -1.78 0.11 0.00 -0.01 0.00 0.00 54.79 53.02 2bes n ASP 11 Cb 0.60 -0.16 0.52 0.00 -1.03 0.00 0.00 41.12 41.05 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 0.16 0.36 0.00 2.11 2.07 -1.83 -0.29 115.15 117.74 2bes h HIS 12 Ca -0.14 0.01 -0.10 0.00 -2.85 0.00 0.00 60.37 57.29 2bes h HIS 12 Cb 0.61 -0.12 -0.01 0.00 2.57 0.00 0.00 27.41 30.45 2bes h HIS 12 CO 0.00 0.18 -0.49 0.00 -3.07 0.00 0.00 177.93 174.55 2bes h ALA 13 N 1.74 1.01 -0.33 6.11 0.00 -1.91 -3.08 119.26 122.80 2bes h ALA 13 Ca 0.23 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2bes h ALA 13 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bes h ALA 13 CO -0.06 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2bes n GLY 14 N 0.19 1.94 0.11 0.00 0.00 -0.85 -4.49 105.19 102.08 2bes n GLY 14 Ca -0.01 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 2.70 0.26 -0.67 1.61 3.20 -0.98 -1.62 116.97 121.47 2bes h TYR 15 Ca 0.00 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 2bes h TYR 15 Cb 0.75 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 2bes h TYR 15 CO 0.22 0.43 0.13 0.93 -1.64 0.00 0.00 178.16 178.23 2bes h GLU 16 N 0.01 1.08 -0.17 1.82 4.39 -1.86 -2.41 114.58 117.45 2bes h GLU 16 Ca 0.04 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.38 2bes h GLU 16 Cb 0.31 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2bes h GLU 16 CO 0.00 0.98 -0.29 1.25 -1.16 0.00 0.00 179.01 179.79 2bes h LEU 17 N 1.02 0.32 -0.88 1.33 5.85 -1.87 -2.95 115.31 118.12 2bes h LEU 17 Ca 0.21 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2bes h LEU 17 Cb 0.40 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2bes h LEU 17 CO 0.01 0.60 0.15 0.50 -0.34 0.00 0.00 178.44 179.37 2bes h LYS 18 N 0.28 0.98 -0.19 1.25 3.64 -0.81 -1.27 116.57 120.46 2bes h LYS 18 Ca 0.04 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.09 2bes h LYS 18 Cb 0.65 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2bes h LYS 18 CO 0.05 0.87 -0.38 1.96 -2.27 0.00 0.00 179.45 179.68 2bes h GLN 19 N 0.94 0.42 -0.10 1.90 1.08 -1.36 -1.39 115.11 116.60 2bes h GLN 19 Ca 0.20 -0.20 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 2bes h GLN 19 Cb 0.33 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2bes h GLN 19 CO -0.00 0.74 -0.57 0.00 -0.95 0.00 0.00 178.83 178.05 2bes h ARG 20 N 0.36 0.31 0.04 1.46 3.08 -1.30 -2.55 114.38 115.77 2bes h ARG 20 Ca 0.04 -0.20 -0.23 0.00 0.07 0.00 0.00 59.98 59.66 2bes h ARG 20 Cb 0.83 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 2bes h ARG 20 CO 0.07 0.79 -1.00 0.82 -1.07 0.00 0.00 179.97 179.57 2bes h ILE 21 N 0.23 1.47 -0.56 2.04 2.04 -1.09 -1.98 117.51 119.66 2bes h ILE 21 Ca -0.00 -2.71 -0.03 0.00 1.00 0.00 0.00 64.86 63.12 2bes h ILE 21 Cb 1.07 2.59 -0.03 0.00 -0.74 0.00 0.00 36.82 39.72 2bes h ILE 21 CO 0.09 0.80 0.24 0.40 0.00 0.00 0.00 178.15 179.68 2bes h ILE 22 N 0.14 1.22 -0.48 -0.67 2.04 -1.20 -0.17 117.51 118.40 2bes h ILE 22 Ca -0.08 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 2bes h ILE 22 Cb 1.67 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2bes h ILE 22 CO 0.16 0.26 -0.05 -0.08 0.00 0.00 0.00 178.15 178.44 2bes h GLU 23 N 0.77 0.88 -0.36 2.37 4.57 -1.47 -2.43 114.58 118.91 2bes h GLU 23 Ca 0.19 -0.31 -0.07 0.00 -1.18 0.00 0.00 59.36 57.99 2bes h GLU 23 Cb 0.17 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2bes h GLU 23 CO -0.02 0.95 -0.08 1.25 -1.18 0.00 0.00 179.01 179.93 2bes h HIS 24 N 0.73 0.64 -0.12 0.92 2.76 -1.15 -2.20 115.15 116.72 2bes h HIS 24 Ca 0.13 -0.09 -0.17 0.00 -2.20 0.00 0.00 60.37 58.04 2bes h HIS 24 Cb 0.59 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 2bes h HIS 24 CO 0.04 0.66 -0.63 -0.07 -1.30 0.00 0.00 177.93 176.64 2bes h LEU 25 N 0.56 0.49 -0.60 0.26 3.38 -0.92 -2.47 115.31 116.01 2bes h LEU 25 Ca 0.11 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2bes h LEU 25 Cb 0.47 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2bes h LEU 25 CO 0.03 1.00 -0.02 0.11 0.09 0.00 0.00 178.44 179.64 2bes h LYS 26 N 0.32 1.07 0.00 1.13 1.57 -1.22 -0.60 116.57 118.84 2bes h LYS 26 Ca -0.01 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2bes h LYS 26 Cb 1.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2bes h LYS 26 CO 0.11 1.05 0.00 1.96 -0.57 0.00 0.00 179.45 182.00 2bes h GLN 27 N 0.96 0.00 -0.24 3.15 1.08 -1.22 -3.21 115.11 115.64 2bes h GLN 27 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2bes h GLN 27 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2bes h GLN 27 CO 0.03 0.00 0.00 0.25 -0.95 0.00 0.00 178.83 178.16 2bes n THR 28 N -2.40 2.20 -0.58 -0.54 -2.24 -0.95 -4.98 114.28 104.80 2bes n THR 28 Ca 0.04 -1.87 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 2bes n THR 28 Cb 0.35 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.54 0.72 4.01 3.38 0.00 -1.17 -4.97 105.19 106.63 2bes n GLY 29 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.11 2.22 -0.50 1.61 3.76 -0.24 -4.31 115.29 115.71 2bes s HIS 30 Ca 0.00 -0.54 0.03 0.00 -0.15 0.00 0.00 55.06 54.40 2bes s HIS 30 Cb 0.00 -2.29 0.14 0.00 1.11 0.00 0.00 32.58 31.53 2bes s HIS 30 CO 0.00 -0.70 0.27 -2.00 -0.85 0.00 0.00 174.74 171.46 2bes s GLU 31 N -4.47 1.75 0.26 1.40 2.12 -0.77 -4.18 118.70 114.81 2bes s GLU 31 Ca 0.57 -2.46 -0.30 0.00 0.36 0.00 0.00 54.97 53.15 2bes s GLU 31 Cb -0.08 -2.94 -0.09 0.00 0.26 0.00 0.00 34.13 31.28 2bes s GLU 31 CO 0.35 -1.15 1.02 -1.25 -0.54 0.00 0.00 175.26 173.69 2bes s PRO 32 N -0.16 4.74 -0.16 4.30 0.04 -1.26 -1.84 135.00 140.65 2bes s PRO 32 Ca 0.18 1.63 -0.00 0.00 0.04 0.00 0.00 61.00 62.85 2bes s PRO 32 Cb -0.23 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.14 2bes s PRO 32 CO -0.02 0.36 -0.06 0.42 0.04 0.00 0.00 177.00 177.73 2bes s ILE 33 N -1.19 1.17 -0.33 0.56 1.01 -0.08 -4.93 121.20 117.41 2bes s ILE 33 Ca 0.43 -0.63 -0.25 0.00 0.00 0.00 0.00 60.65 60.21 2bes s ILE 33 Cb -0.29 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 40.88 2bes s ILE 33 CO 0.36 0.17 0.86 -0.62 0.00 0.00 0.00 174.94 175.71 2bes s ASP 34 N 1.61 6.68 0.00 3.58 3.68 -1.26 -1.50 116.67 129.47 2bes s ASP 34 Ca 0.01 0.65 0.27 0.00 2.13 0.00 0.00 52.55 55.61 2bes s ASP 34 Cb -0.15 -2.44 0.82 0.00 -1.45 0.00 0.00 42.92 39.71 2bes s ASP 34 CO -0.08 -0.72 1.61 0.00 0.13 0.00 0.00 175.17 176.11 2bes n GLY 36 N 1.26 2.38 3.76 0.00 0.00 -1.26 -4.91 105.19 106.42 2bes n GLY 36 Ca 0.16 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.74 3.31 -0.25 4.61 0.00 -0.61 -1.58 121.76 124.50 2bes s ALA 37 Ca 0.00 0.71 0.19 0.00 0.00 0.00 0.00 51.96 52.86 2bes s ALA 37 Cb 0.00 -3.25 0.10 0.00 0.00 0.00 0.00 23.12 19.97 2bes s ALA 37 CO 0.00 0.03 1.31 -0.07 0.00 0.00 0.00 175.76 177.03 2bes h LEU 38 N 3.71 0.00 -8.79 0.00 3.38 -1.92 -3.47 115.31 108.22 2bes h LEU 38 Ca -0.46 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.14 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 0.27 -0.69 -0.13 0.09 0.00 0.00 178.44 178.65 2bes s ARG 39 N -3.10 1.22 -0.10 1.13 0.52 -1.26 -5.13 118.95 112.24 2bes s ARG 39 Ca 0.03 -1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 53.37 2bes s ARG 39 Cb 0.07 -0.68 -0.01 0.00 0.52 0.00 0.00 34.95 34.85 2bes s ARG 39 CO 0.74 0.00 1.03 -0.47 0.02 0.00 0.00 175.30 176.63 2bes s TYR 40 N -3.33 3.47 -0.23 -0.53 5.04 -1.26 -4.93 117.35 115.58 2bes s TYR 40 Ca 0.23 1.55 -0.04 0.00 -2.44 0.00 0.00 57.07 56.37 2bes s TYR 40 Cb 0.04 -3.22 0.08 0.00 0.35 0.00 0.00 41.96 39.21 2bes s TYR 40 CO 0.05 -0.37 0.09 0.34 -1.34 0.00 0.00 175.55 174.33 2bes s ASP 41 N 1.14 3.05 0.60 4.32 -1.08 -1.26 -5.04 116.67 118.41 2bes s ASP 41 Ca 0.49 -1.00 0.29 0.00 -0.52 0.00 0.00 52.55 51.82 2bes s ASP 41 Cb -0.19 -0.42 1.65 0.00 -1.46 0.00 0.00 42.92 42.50 2bes s ASP 41 CO 0.18 -0.38 2.07 0.00 0.52 0.00 0.00 175.17 177.56 2bes h ALA 42 N 8.34 1.81 -0.02 3.66 0.00 -1.95 -2.36 119.26 128.74 2bes h ALA 42 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bes h ALA 42 Cb 1.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2bes h ALA 42 CO 0.37 -0.35 -0.43 -0.25 0.00 0.00 0.00 179.25 178.59 2bes n ASP 43 N -3.70 1.96 -4.75 0.00 8.00 -1.26 -4.92 116.55 111.87 2bes n ASP 43 Ca 0.02 -1.47 -0.33 0.00 0.71 0.00 0.00 54.79 53.73 2bes n ASP 43 Cb 0.37 0.42 0.08 0.00 -0.02 0.00 0.00 41.12 41.97 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 -2.46 4.57 -0.18 -2.24 -4.77 -0.89 -5.02 116.67 105.68 2bes s ASP 44 Ca 0.20 2.09 -0.07 0.00 -3.30 0.00 0.00 52.55 51.46 2bes s ASP 44 Cb 0.18 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.41 2bes s ASP 44 CO 0.55 -2.00 0.07 -1.81 0.70 0.00 0.00 175.17 172.69 2bes s ASP 45 N -2.56 5.69 0.28 2.11 1.01 -1.26 -4.66 116.67 117.28 2bes s ASP 45 Ca 0.68 0.11 0.03 0.00 0.71 0.00 0.00 52.55 54.09 2bes s ASP 45 Cb -0.23 -1.96 0.40 0.00 1.01 0.00 0.00 42.92 42.15 2bes s ASP 45 CO 0.46 0.19 1.70 0.10 0.21 0.00 0.00 175.17 177.83 2bes h TYR 46 N 6.55 0.47 -0.78 4.23 -0.00 -1.95 -3.36 116.97 122.13 2bes h TYR 46 Ca -0.39 -0.11 0.15 0.00 0.00 0.00 0.00 58.73 58.38 2bes h TYR 46 Cb 1.17 -0.11 -0.15 0.00 0.00 0.00 0.00 36.73 37.64 2bes h TYR 46 CO 0.57 0.69 -0.23 -1.35 -0.00 0.00 0.00 178.16 177.84 2bes h PRO 47 N 0.35 -0.02 -0.73 0.10 0.11 -1.96 -2.53 132.00 127.32 2bes h PRO 47 Ca 0.04 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 2bes h PRO 47 Cb 0.75 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 2bes h PRO 47 CO 0.06 -0.02 0.25 0.00 -0.21 0.00 0.00 178.00 178.08 2bes h ALA 48 N 1.65 1.06 -0.21 -0.75 0.00 -2.00 -0.91 119.26 118.10 2bes h ALA 48 Ca 0.36 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2bes h ALA 48 Cb 0.58 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2bes h ALA 48 CO -0.81 0.64 -0.48 0.74 0.00 0.00 0.00 179.25 179.35 2bes h PHE 49 N 1.08 0.69 0.08 0.00 -1.00 -1.69 -2.42 116.94 113.68 2bes h PHE 49 Ca 0.24 -0.22 -0.26 0.00 2.81 0.00 0.00 57.97 60.54 2bes h PHE 49 Cb 0.26 -0.14 0.01 0.00 3.61 0.00 0.00 35.95 39.69 2bes h PHE 49 CO 0.02 0.93 -1.12 0.00 -1.61 0.00 0.00 178.31 176.53 2bes h ILE 51 N 0.15 1.29 -0.15 0.00 2.04 -1.21 -1.84 117.51 117.79 2bes h ILE 51 Ca -0.12 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.28 2bes h ILE 51 Cb 1.80 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 39.43 2bes h ILE 51 CO 0.19 0.43 -0.09 0.00 0.00 0.00 0.00 178.15 178.68 2bes h ALA 52 N 1.35 0.22 -0.63 1.87 0.00 -1.40 -0.74 119.26 119.92 2bes h ALA 52 Ca 0.03 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2bes h ALA 52 Cb 0.76 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2bes h ALA 52 CO 0.06 0.04 0.08 0.00 0.00 0.00 0.00 179.25 179.43 2bes h ALA 53 N 0.65 0.95 -0.08 0.00 0.00 -1.42 -2.11 119.26 117.26 2bes h ALA 53 Ca 0.03 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.45 2bes h ALA 53 Cb 0.58 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2bes h ALA 53 CO 0.03 0.65 -0.85 0.00 0.00 0.00 0.00 179.25 179.08 2bes h ALA 54 N 1.10 0.36 -0.49 0.00 0.00 -1.35 -2.23 119.26 116.65 2bes h ALA 54 Ca 0.19 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2bes h ALA 54 Cb 0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2bes h ALA 54 CO 0.02 0.73 -0.03 1.15 0.00 0.00 0.00 179.25 181.12 2bes h THR 55 N 0.39 1.27 0.00 0.00 2.02 -1.06 -2.44 112.91 113.08 2bes h THR 55 Ca -0.07 -1.12 -0.13 0.00 0.77 0.00 0.00 66.41 65.87 2bes h THR 55 Cb 1.47 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 2bes h THR 55 CO 0.16 0.39 -0.60 0.03 0.37 0.00 0.00 175.52 175.87 2bes h ARG 56 N 0.73 0.00 -0.31 6.66 3.08 -1.42 -2.45 114.38 120.67 2bes h ARG 56 Ca 0.13 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 2bes h ARG 56 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2bes h ARG 56 CO 0.03 0.60 -0.07 1.15 -1.07 0.00 0.00 179.97 180.61 2bes h THR 57 N 0.00 1.28 -0.41 2.04 2.02 -1.26 -2.52 112.91 114.07 2bes h THR 57 Ca -0.01 -1.11 -0.12 0.00 0.77 0.00 0.00 66.41 65.95 2bes h THR 57 Cb 1.07 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2bes h THR 57 CO 0.08 0.36 -0.23 0.58 0.37 0.00 0.00 175.52 176.68 2bes h VAL 58 N 0.37 1.27 0.00 3.16 2.07 -1.39 -2.85 116.25 118.88 2bes h VAL 58 Ca 0.08 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2bes h VAL 58 Cb 0.56 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2bes h VAL 58 CO 0.03 0.45 0.00 0.00 0.02 0.00 0.00 177.57 178.07 2bes n ALA 59 N -2.50 2.16 -3.46 1.67 0.00 -0.93 -3.98 120.51 113.48 2bes n ALA 59 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 53.44 53.08 2bes n ALA 59 Cb 0.44 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.41 2bes n ALA 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bes n ASP 60 N -1.42 2.20 -4.74 0.00 2.03 -0.95 -5.07 116.55 108.59 2bes n ASP 60 Ca 0.08 -3.08 -0.41 0.00 0.52 0.00 0.00 54.79 51.90 2bes n ASP 60 Cb 0.25 -0.67 0.01 0.00 -0.72 0.00 0.00 41.12 39.99 2bes n ASP 60 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2bes n PRO 61 N 1.46 2.25 0.00 -0.67 -0.02 -1.25 -2.01 135.00 134.76 2bes n PRO 61 Ca 0.26 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 2bes n PRO 61 Cb 0.44 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.65 3.43 3.89 -1.23 0.00 -1.26 -5.06 105.19 105.60 2bes n GLY 62 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.92 5.79 0.49 1.61 1.04 -0.85 -4.74 113.70 116.13 2bes s SER 63 Ca 0.00 1.05 0.02 0.00 0.48 0.00 0.00 55.95 57.50 2bes s SER 63 Cb 0.00 -2.04 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 2bes s SER 63 CO 0.00 -1.04 0.02 -0.76 0.98 0.00 0.00 173.24 172.44 2bes s LEU 64 N -5.12 2.26 0.02 2.42 1.43 -0.11 -4.92 118.68 114.65 2bes s LEU 64 Ca 0.55 -1.65 -0.21 0.00 -1.03 0.00 0.00 54.13 51.78 2bes s LEU 64 Cb -0.11 -0.65 0.04 0.00 0.03 0.00 0.00 46.19 45.51 2bes s LEU 64 CO 0.49 -0.86 0.47 -0.83 0.23 0.00 0.00 176.35 175.86 2bes s GLY 65 N -3.84 -0.35 -0.05 -3.19 0.00 0.32 -1.38 107.32 98.83 2bes s GLY 65 Ca 0.09 0.59 0.01 0.00 0.00 0.00 0.00 44.72 45.40 2bes s GLY 65 CO 0.05 0.31 -0.03 -0.42 0.00 0.00 0.00 173.10 173.01 2bes s ILE 66 N -1.99 0.45 -0.06 0.90 1.01 -0.39 -1.98 121.20 119.13 2bes s ILE 66 Ca -0.08 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2bes s ILE 66 Cb -0.01 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 2bes s ILE 66 CO 0.02 0.22 -0.17 0.68 0.00 0.00 0.00 174.94 175.68 2bes s VAL 67 N 1.10 2.78 0.00 2.92 -7.23 -0.54 -1.55 120.40 117.88 2bes s VAL 67 Ca -0.08 -0.81 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 2bes s VAL 67 Cb -0.14 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.70 2bes s VAL 67 CO -0.01 0.57 -0.18 -0.76 -0.31 0.00 0.00 175.10 174.42 2bes s LEU 68 N -0.39 2.07 0.00 1.32 2.01 0.12 -1.81 118.68 121.99 2bes s LEU 68 Ca 0.04 -0.36 0.00 0.00 0.01 0.00 0.00 54.13 53.82 2bes s LEU 68 Cb -0.12 -0.88 0.00 0.00 0.01 0.00 0.00 46.19 45.20 2bes s LEU 68 CO 0.02 0.19 0.00 0.61 1.01 0.00 0.00 176.35 178.18 2bes n GLY 69 N 2.44 4.11 0.12 -3.19 0.00 -1.08 -2.72 105.19 104.88 2bes n GLY 69 Ca -0.15 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.18 0.00 -0.02 0.00 -1.86 -0.73 103.07 100.28 2bes h GLY 70 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2bes h GLY 70 CO 0.00 -0.06 -1.71 -1.14 0.00 0.00 0.00 176.54 173.63 2bes n SER 71 N -4.93 1.46 0.00 0.19 3.41 -1.26 -2.48 113.62 110.01 2bes n SER 71 Ca -0.08 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2bes n SER 71 Cb 0.27 1.71 0.00 0.00 -0.26 0.00 0.00 64.21 65.92 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 1.62 1.71 0.11 5.00 0.00 -1.25 -3.12 105.19 109.27 2bes n GLY 72 Ca -0.03 0.00 -0.19 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 0.35 0.76 1.61 2.35 -1.94 -2.07 115.58 116.64 2bes h ASN 73 Ca 0.00 -0.91 -0.03 0.00 -0.55 0.00 0.00 56.30 54.81 2bes h ASN 73 Cb 0.00 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 2bes h ASN 73 CO 0.00 1.39 -0.13 1.23 -1.65 0.00 0.00 177.43 178.27 2bes h GLY 74 N -0.40 0.00 1.01 2.83 0.00 -1.99 -1.70 103.07 102.82 2bes h GLY 74 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.94 2bes h GLY 74 CO 0.09 0.00 -0.86 0.83 0.00 0.00 0.00 176.54 176.60 2bes h GLU 75 N 0.00 0.56 0.00 4.80 3.07 -1.93 -2.50 114.58 118.58 2bes h GLU 75 Ca -0.00 -0.62 -0.13 0.00 -0.50 0.00 0.00 59.36 58.10 2bes h GLU 75 Cb 0.54 0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 2bes h GLU 75 CO 0.02 1.23 -0.64 -0.56 -1.40 0.00 0.00 179.01 177.66 2bes h GLN 76 N 0.15 0.00 -0.47 2.33 -0.00 -1.20 -2.07 115.11 113.85 2bes h GLN 76 Ca -0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.49 2bes h GLN 76 Cb 1.54 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 29.01 2bes h GLN 76 CO 0.17 0.64 0.08 0.82 -0.00 0.00 0.00 178.83 180.54 2bes h ILE 77 N 0.00 1.25 -0.58 1.86 2.04 -1.35 -1.06 117.51 119.66 2bes h ILE 77 Ca -0.01 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 64.86 2bes h ILE 77 Cb 1.19 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2bes h ILE 77 CO 0.08 0.32 -0.01 0.00 0.00 0.00 0.00 178.15 178.54 2bes h ALA 78 N 0.96 0.88 -0.05 1.87 0.00 -1.35 -2.82 119.26 118.75 2bes h ALA 78 Ca 0.14 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2bes h ALA 78 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2bes h ALA 78 CO 0.01 0.66 -0.38 0.00 0.00 0.00 0.00 179.25 179.54 2bes h ALA 79 N 1.04 1.27 0.00 0.00 0.00 -1.22 -2.87 119.26 117.48 2bes h ALA 79 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2bes h ALA 79 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2bes h ALA 79 CO 0.03 0.52 0.00 -0.91 0.00 0.00 0.00 179.25 178.89 2bes h ASN 80 N 0.09 0.00 1.57 0.00 2.35 -0.94 -2.72 115.58 115.92 2bes h ASN 80 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2bes h ASN 80 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 2bes h ASN 80 CO 0.05 0.00 0.00 0.11 -1.65 0.00 0.00 177.43 175.94 2bes h LYS 81 N 0.00 0.00 -6.37 0.81 1.79 -1.35 -3.45 116.57 108.00 2bes h LYS 81 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2bes h LYS 81 Cb 0.62 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2bes h LYS 81 CO 0.00 0.00 0.85 0.08 -1.08 0.00 0.00 179.45 179.30 2bes s VAL 82 N -3.37 3.70 0.03 0.50 1.01 -1.03 -4.95 120.40 116.29 2bes s VAL 82 Ca 0.05 1.08 -0.34 0.00 0.00 0.00 0.00 61.98 62.76 2bes s VAL 82 Cb 0.07 -3.69 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 2bes s VAL 82 CO 0.61 -0.01 1.72 -2.65 0.00 0.00 0.00 175.10 174.77 2bes n PRO 83 N 5.46 2.11 0.00 2.72 -0.02 -1.26 -2.18 135.00 141.83 2bes n PRO 83 Ca 0.13 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2bes n PRO 83 Cb 0.44 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 3.87 1.20 3.84 -1.23 0.00 -1.26 -4.98 105.19 106.63 2bes n GLY 84 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.29 3.61 -0.22 4.61 0.00 -0.92 -4.98 121.76 121.57 2bes s ALA 85 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 2bes s ALA 85 Cb 0.00 -2.49 0.07 0.00 0.00 0.00 0.00 23.12 20.70 2bes s ALA 85 CO 0.00 0.47 0.03 1.03 0.00 0.00 0.00 175.76 177.29 2bes s ARG 86 N -1.82 0.88 -0.27 0.00 0.52 -1.26 -4.79 118.95 112.21 2bes s ARG 86 Ca 0.35 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 2bes s ARG 86 Cb -0.15 -2.20 0.05 0.00 0.52 0.00 0.00 34.95 33.17 2bes s ARG 86 CO 0.19 -0.69 -0.07 0.00 0.02 0.00 0.00 175.30 174.74 2bes s ALA 88 N 1.18 3.40 -0.34 0.00 0.00 -0.97 -4.85 121.76 120.19 2bes s ALA 88 Ca -0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 2bes s ALA 88 Cb -0.19 -2.53 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 2bes s ALA 88 CO -0.04 -0.58 0.22 -1.17 0.00 0.00 0.00 175.76 174.20 2bes s LEU 89 N -4.84 4.45 -0.40 0.00 2.96 -1.26 -0.42 118.68 119.17 2bes s LEU 89 Ca 0.51 -0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 53.75 2bes s LEU 89 Cb -0.10 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.50 2bes s LEU 89 CO 0.44 -0.24 0.47 0.00 -1.32 0.00 0.00 176.35 175.70 2bes s ALA 90 N 1.69 3.43 -0.25 5.97 0.00 -0.35 -4.86 121.76 127.39 2bes s ALA 90 Ca 0.06 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.70 2bes s ALA 90 Cb -0.17 -3.05 0.06 0.00 0.00 0.00 0.00 23.12 19.96 2bes s ALA 90 CO 0.09 -1.48 0.96 -2.67 0.00 0.00 0.00 175.76 172.66 2bes n TRP 91 N 5.69 0.09 -3.82 0.00 4.27 -1.26 -4.54 117.44 117.87 2bes n TRP 91 Ca -0.06 -0.40 -0.06 0.00 -3.89 0.00 0.00 57.50 53.09 2bes n TRP 91 Cb 0.48 -0.04 -0.01 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 -0.84 -0.21 0.32 -0.67 1.04 -1.26 -5.02 113.70 107.06 2bes s SER 92 Ca 0.05 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 55.96 2bes s SER 92 Cb 0.03 0.64 0.56 0.00 0.10 0.00 0.00 66.02 67.35 2bes s SER 92 CO 0.04 -1.19 1.84 0.58 0.98 0.00 0.00 173.24 175.49 2bes h VAL 93 N 2.00 1.21 -0.15 5.02 2.07 -1.91 -2.38 116.25 122.11 2bes h VAL 93 Ca -0.22 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 2bes h VAL 93 Cb 1.24 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2bes h VAL 93 CO 0.25 0.30 -0.05 -0.61 0.02 0.00 0.00 177.57 177.47 2bes h GLN 94 N 0.49 0.29 0.00 1.57 4.15 -1.97 -2.50 115.11 117.15 2bes h GLN 94 Ca 0.10 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 2bes h GLN 94 Cb 0.40 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 2bes h GLN 94 CO 0.02 0.60 -0.37 1.79 -1.93 0.00 0.00 178.83 178.94 2bes h THR 95 N -0.02 0.75 -0.31 2.39 1.35 -1.93 -0.86 112.91 114.27 2bes h THR 95 Ca 0.04 -1.65 -0.15 0.00 -0.55 0.00 0.00 66.41 64.09 2bes h THR 95 Cb 0.50 2.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2bes h THR 95 CO 0.02 0.36 -0.40 0.00 -0.25 0.00 0.00 175.52 175.25 2bes h ALA 96 N 1.63 0.47 -0.21 6.62 0.00 -1.46 -2.23 119.26 124.08 2bes h ALA 96 Ca -0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2bes h ALA 96 Cb 1.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2bes h ALA 96 CO 0.05 0.57 -0.15 0.00 0.00 0.00 0.00 179.25 179.73 2bes h ALA 97 N 0.71 0.30 0.00 0.00 0.00 -1.26 -3.17 119.26 115.85 2bes h ALA 97 Ca 0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2bes h ALA 97 Cb 0.99 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2bes h ALA 97 CO 0.09 0.19 -0.36 -0.07 0.00 0.00 0.00 179.25 179.10 2bes h LEU 98 N 0.17 0.00 -0.97 0.00 3.38 -1.23 -1.12 115.31 115.54 2bes h LEU 98 Ca 0.04 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2bes h LEU 98 Cb 0.66 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2bes h LEU 98 CO 0.04 0.36 0.64 0.00 0.09 0.00 0.00 178.44 179.57 2bes h ALA 99 N 1.64 1.26 0.05 1.53 0.00 -1.37 0.07 119.26 122.44 2bes h ALA 99 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bes h ALA 99 Cb 0.67 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2bes h ALA 99 CO 0.05 0.57 -0.03 0.00 0.00 0.00 0.00 179.25 179.84 2bes h ARG 100 N 1.27 -0.07 0.12 0.00 2.47 -1.47 -0.78 114.38 115.92 2bes h ARG 100 Ca 0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 2bes h ARG 100 Cb -0.07 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2bes h ARG 100 CO -0.10 0.54 -0.11 0.93 0.56 0.00 0.00 179.97 181.79 2bes h GLU 101 N -0.81 -0.25 0.03 0.04 5.08 -1.08 -2.79 114.58 114.79 2bes h GLU 101 Ca -0.01 0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.04 2bes h GLU 101 Cb 0.65 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 2bes h GLU 101 CO 0.01 -0.17 -1.86 0.72 -1.00 0.00 0.00 179.01 176.71 2bes n HIS 102 N -5.23 0.74 1.05 4.33 8.25 -0.00 -2.98 115.22 121.37 2bes n HIS 102 Ca -0.08 0.25 0.11 0.00 -0.26 0.00 0.00 57.72 57.75 2bes n HIS 102 Cb 0.15 -1.08 0.06 0.00 1.12 0.00 0.00 29.99 30.24 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 -4.03 1.46 -3.70 0.41 5.03 -1.04 -4.79 115.26 108.60 2bes n ASN 103 Ca -0.39 -1.16 -0.28 0.00 0.87 0.00 0.00 54.58 53.62 2bes n ASN 103 Cb 0.85 0.52 -0.01 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 -0.63 -3.65 -4.68 6.41 5.15 -0.70 -4.86 115.26 112.30 2bes n ASN 104 Ca 0.08 -0.62 -0.42 0.00 -0.60 0.00 0.00 54.58 53.02 2bes n ASN 104 Cb 0.40 -3.00 -0.03 0.00 -0.53 0.00 0.00 39.78 36.62 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 -3.07 3.64 -0.47 5.20 0.00 -0.38 -4.87 121.76 121.81 2bes s ALA 105 Ca 0.54 1.07 0.24 0.00 0.00 0.00 0.00 51.96 53.80 2bes s ALA 105 Cb -0.29 -3.70 0.44 0.00 0.00 0.00 0.00 23.12 19.58 2bes s ALA 105 CO 0.66 -1.17 1.65 1.96 0.00 0.00 0.00 175.76 178.86 2bes h GLN 106 N 8.66 0.00 -5.23 0.00 7.50 -1.80 -3.42 115.11 120.81 2bes h GLN 106 Ca -0.41 0.00 -0.37 0.00 0.50 0.00 0.00 58.65 58.37 2bes h GLN 106 Cb 1.19 0.00 -0.18 0.00 0.05 0.00 0.00 27.48 28.54 2bes h GLN 106 CO 0.93 0.00 -0.75 -0.51 -1.50 0.00 0.00 178.83 177.01 2bes s LEU 107 N -5.94 2.42 0.03 1.46 1.02 -1.11 -0.52 118.68 116.04 2bes s LEU 107 Ca 0.07 -0.83 0.02 0.00 0.02 0.00 0.00 54.13 53.41 2bes s LEU 107 Cb 0.06 -0.45 -0.02 0.00 0.02 0.00 0.00 46.19 45.81 2bes s LEU 107 CO 0.65 -0.20 -0.07 0.27 0.02 0.00 0.00 176.35 177.02 2bes s ILE 108 N -2.35 0.51 -0.08 -0.59 -4.36 -0.84 -2.29 121.20 111.21 2bes s ILE 108 Ca 0.08 -0.82 -0.07 0.00 -0.26 0.00 0.00 60.65 59.59 2bes s ILE 108 Cb -0.04 -0.53 -0.04 0.00 1.25 0.00 0.00 42.46 43.10 2bes s ILE 108 CO 0.02 -0.23 0.19 -0.83 0.24 0.00 0.00 174.94 174.33 2bes s GLY 109 N -1.13 2.20 -0.01 6.27 0.00 0.44 -1.46 107.32 113.63 2bes s GLY 109 Ca -0.06 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.08 2bes s GLY 109 CO 0.00 -0.37 -0.09 -0.42 0.00 0.00 0.00 173.10 172.22 2bes s ILE 110 N -1.11 0.73 -0.31 0.90 1.01 -0.75 -1.21 121.20 120.46 2bes s ILE 110 Ca 0.19 -0.41 -0.17 0.00 0.00 0.00 0.00 60.65 60.26 2bes s ILE 110 Cb -0.13 -0.61 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 2bes s ILE 110 CO 0.08 0.20 0.49 -0.83 0.00 0.00 0.00 174.94 174.88 2bes s GLY 111 N -0.24 1.84 0.48 6.18 0.00 -1.18 -2.62 107.32 111.78 2bes s GLY 111 Ca 0.03 -0.86 0.26 0.00 0.00 0.00 0.00 44.72 44.15 2bes s GLY 111 CO -0.00 1.21 1.93 -1.33 0.00 0.00 0.00 173.10 174.90 2bes h GLY 112 N 8.91 0.00 1.49 0.20 0.00 -1.05 -2.73 103.07 109.91 2bes h GLY 112 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2bes h GLY 112 CO 0.73 0.00 -0.16 0.54 0.00 0.00 0.00 176.54 177.65 2bes n ARG 113 N -3.45 0.14 -0.01 4.80 1.74 -1.03 -4.07 116.66 114.78 2bes n ARG 113 Ca -0.01 -0.04 0.04 0.00 -0.77 0.00 0.00 57.85 57.07 2bes n ARG 113 Cb 0.35 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.39 0.65 -4.34 5.56 2.81 -1.03 -5.00 117.12 114.37 2bes n MET 114 Ca 0.08 -0.02 -0.18 0.00 -1.81 0.00 0.00 57.70 55.78 2bes n MET 114 Cb 0.32 -1.63 -0.10 0.00 -0.71 0.00 0.00 33.22 31.10 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 -3.13 1.64 0.73 2.03 3.76 -1.23 -5.10 115.29 113.99 2bes s HIS 115 Ca -0.06 -0.74 -0.10 0.00 -0.15 0.00 0.00 55.06 54.00 2bes s HIS 115 Cb 0.10 -0.88 0.04 0.00 1.11 0.00 0.00 32.58 32.95 2bes s HIS 115 CO 0.85 0.17 1.09 0.95 -0.85 0.00 0.00 174.74 176.95 2bes s THR 116 N -3.18 2.89 0.23 1.30 -4.23 -1.26 -4.89 115.64 106.49 2bes s THR 116 Ca 0.25 0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.88 2bes s THR 116 Cb 0.03 -3.27 0.16 0.00 1.34 0.00 0.00 72.50 70.76 2bes s THR 116 CO 0.07 -0.34 1.79 0.58 -0.54 0.00 0.00 174.62 176.19 2bes h VAL 117 N -0.73 1.25 -0.65 2.29 2.07 -1.99 -1.95 116.25 116.55 2bes h VAL 117 Ca -0.45 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.20 2bes h VAL 117 Cb 1.29 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2bes h VAL 117 CO 0.64 0.33 0.17 0.00 0.02 0.00 0.00 177.57 178.73 2bes h ALA 118 N 1.21 0.85 -0.34 1.67 0.00 -1.99 -1.83 119.26 118.84 2bes h ALA 118 Ca 0.25 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2bes h ALA 118 Cb 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2bes h ALA 118 CO -0.02 0.55 -0.19 0.93 0.00 0.00 0.00 179.25 180.52 2bes h GLU 119 N 0.95 0.63 -0.14 0.00 5.08 -1.88 -2.33 114.58 116.90 2bes h GLU 119 Ca 0.21 -0.23 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 2bes h GLU 119 Cb 0.34 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2bes h GLU 119 CO -0.00 0.78 -0.68 0.00 -1.00 0.00 0.00 179.01 178.11 2bes h ALA 120 N 1.23 0.54 0.00 3.43 0.00 -1.18 -2.46 119.26 120.83 2bes h ALA 120 Ca 0.09 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 2bes h ALA 120 Cb 0.64 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2bes h ALA 120 CO 0.05 0.72 -0.42 -0.07 0.00 0.00 0.00 179.25 179.53 2bes h LEU 121 N 0.41 0.00 -0.52 0.00 3.38 -1.28 -2.19 115.31 115.10 2bes h LEU 121 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2bes h LEU 121 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2bes h LEU 121 CO 0.13 0.42 -0.66 0.00 0.09 0.00 0.00 178.44 178.41 2bes h ALA 122 N 1.58 0.72 -0.46 1.53 0.00 -1.31 -2.01 119.26 119.31 2bes h ALA 122 Ca -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 2bes h ALA 122 Cb 0.95 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2bes h ALA 122 CO 0.05 0.75 -0.11 0.82 0.00 0.00 0.00 179.25 180.76 2bes h ILE 123 N 0.23 1.26 -0.32 0.00 2.04 -1.19 -2.83 117.51 116.70 2bes h ILE 123 Ca -0.02 -1.20 -0.18 0.00 1.00 0.00 0.00 64.86 64.46 2bes h ILE 123 Cb 1.21 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2bes h ILE 123 CO 0.11 0.41 -0.49 0.58 0.00 0.00 0.00 178.15 178.76 2bes h VAL 124 N 0.76 1.27 -0.58 1.67 2.07 -1.30 -2.37 116.25 117.77 2bes h VAL 124 Ca 0.12 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 2bes h VAL 124 Cb 0.62 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 2bes h VAL 124 CO 0.04 0.55 0.28 0.44 0.02 0.00 0.00 177.57 178.90 2bes h ASP 125 N 0.71 0.76 -0.25 0.57 3.32 -1.35 -1.97 116.42 118.21 2bes h ASP 125 Ca 0.03 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 2bes h ASP 125 Cb 1.09 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 2bes h ASP 125 CO 0.11 0.68 -0.12 0.00 -1.72 0.00 0.00 179.24 178.19 2bes h ALA 126 N 1.11 1.10 -0.26 3.45 0.00 -1.48 -2.74 119.26 120.44 2bes h ALA 126 Ca 0.20 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2bes h ALA 126 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2bes h ALA 126 CO -0.02 0.56 -0.05 0.35 0.00 0.00 0.00 179.25 180.09 2bes h PHE 127 N 0.60 0.54 -0.00 0.00 3.57 -1.06 -2.18 116.94 118.41 2bes h PHE 127 Ca 0.11 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2bes h PHE 127 Cb 0.55 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.16 2bes h PHE 127 CO 0.02 0.69 -0.17 1.33 -2.23 0.00 0.00 178.31 177.95 2bes n VAL 128 N -4.56 0.00 -0.04 1.41 0.24 -0.77 -3.98 118.33 110.63 2bes n VAL 128 Ca -0.04 -0.01 -0.02 0.00 -2.04 0.00 0.00 64.34 62.23 2bes n VAL 128 Cb 0.29 -0.22 -0.08 0.00 -1.47 0.00 0.00 33.84 32.36 2bes n VAL 128 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bes n THR 129 N -1.43 0.54 -2.28 3.34 -2.24 -1.04 -4.88 114.28 106.28 2bes n THR 129 Ca 0.08 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 2bes n THR 129 Cb 0.33 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.39 3.93 0.51 4.28 2.01 -0.82 -5.00 115.64 118.16 2bes s THR 130 Ca -0.05 1.23 -0.17 0.00 0.31 0.00 0.00 61.69 63.01 2bes s THR 130 Cb 0.04 -3.79 -0.08 0.00 0.01 0.00 0.00 72.50 68.68 2bes s THR 130 CO 0.44 -0.05 0.98 -2.16 -0.69 0.00 0.00 174.62 173.14 2bes s PRO 131 N 2.95 3.96 -0.06 4.92 0.04 -1.26 -4.76 135.00 140.78 2bes s PRO 131 Ca 0.62 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 2bes s PRO 131 Cb -0.28 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2bes s PRO 131 CO 0.23 -0.26 1.38 -0.46 0.04 0.00 0.00 177.00 177.92 2bes s TRP 132 N -2.61 2.76 0.29 0.56 -0.00 -1.26 -3.67 118.94 115.01 2bes s TRP 132 Ca 0.59 0.82 0.03 0.00 -0.00 0.00 0.00 56.10 57.54 2bes s TRP 132 Cb -0.10 -3.63 0.43 0.00 -0.00 0.00 0.00 33.47 30.17 2bes s TRP 132 CO 0.31 -2.32 1.73 0.66 -0.00 0.00 0.00 176.95 177.33 2bes h SER 133 N 8.13 0.46 -0.34 5.86 4.64 -1.72 -3.47 113.55 127.11 2bes h SER 133 Ca -0.35 -0.15 -0.15 0.00 -0.47 0.00 0.00 61.79 60.67 2bes h SER 133 Cb 1.16 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 63.06 2bes h SER 133 CO 0.92 0.71 -0.13 0.29 -0.87 0.00 0.00 176.83 177.75 2bes n LYS 134 N -4.13 -0.80 -2.04 4.77 5.02 -1.26 -4.99 118.16 114.73 2bes n LYS 134 Ca -0.00 0.68 -0.38 0.00 -2.02 0.00 0.00 58.31 56.59 2bes n LYS 134 Cb 0.40 -4.56 0.01 0.00 -0.02 0.00 0.00 35.03 30.86 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 -2.12 2.91 0.18 7.82 0.00 -1.26 -4.85 121.76 124.44 2bes s ALA 135 Ca 0.00 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 2bes s ALA 135 Cb 0.00 -3.47 0.17 0.00 0.00 0.00 0.00 23.12 19.83 2bes s ALA 135 CO 0.00 -0.98 1.71 0.37 0.00 0.00 0.00 175.76 176.87 2bes h GLN 136 N 1.80 0.21 -0.29 0.00 4.15 -1.99 -2.18 115.11 116.80 2bes h GLN 136 Ca -0.50 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 58.82 2bes h GLN 136 Cb 1.27 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 2bes h GLN 136 CO 0.59 0.14 -0.20 0.07 -1.93 0.00 0.00 178.83 177.50 2bes h ARG 137 N 0.22 0.54 -0.28 1.69 0.11 -1.99 -0.58 114.38 114.08 2bes h ARG 137 Ca 0.24 -0.19 -0.13 0.00 0.10 0.00 0.00 59.98 60.00 2bes h ARG 137 Cb 0.32 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.35 2bes h ARG 137 CO -0.32 0.71 -0.34 0.45 0.10 0.00 0.00 179.97 180.58 2bes h HIS 138 N 0.48 0.88 -0.12 4.08 3.86 -1.79 -2.17 115.15 120.38 2bes h HIS 138 Ca 0.08 -0.28 -0.11 0.00 -1.16 0.00 0.00 60.37 58.90 2bes h HIS 138 Cb 0.62 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2bes h HIS 138 CO 0.02 1.04 -0.41 0.37 0.86 0.00 0.00 177.93 179.82 2bes h GLN 139 N 0.47 0.27 -0.55 2.45 5.75 -1.27 -1.94 115.11 120.29 2bes h GLN 139 Ca 0.04 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.36 2bes h GLN 139 Cb 0.92 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.44 2bes h GLN 139 CO 0.08 0.64 0.14 -0.09 -2.65 0.00 0.00 178.83 176.95 2bes h ARG 140 N 0.23 0.88 -0.07 1.69 2.43 -0.97 -0.69 114.38 117.88 2bes h ARG 140 Ca 0.02 -0.21 -0.14 0.00 -0.81 0.00 0.00 59.98 58.84 2bes h ARG 140 Cb 0.82 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2bes h ARG 140 CO 0.06 0.82 -0.58 0.00 -1.51 0.00 0.00 179.97 178.77 2bes h ARG 141 N 0.78 0.22 -0.23 0.20 3.08 -1.22 -1.93 114.38 115.28 2bes h ARG 141 Ca 0.17 -0.14 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2bes h ARG 141 Cb 0.34 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2bes h ARG 141 CO 0.00 0.73 -0.40 0.82 -1.07 0.00 0.00 179.97 180.06 2bes h ILE 142 N 0.16 1.30 -0.17 2.04 2.04 -1.17 -2.57 117.51 119.14 2bes h ILE 142 Ca -0.00 -1.55 -0.16 0.00 1.00 0.00 0.00 64.86 64.15 2bes h ILE 142 Cb 1.06 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2bes h ILE 142 CO 0.09 0.49 -0.55 0.44 0.00 0.00 0.00 178.15 178.62 2bes h ASP 143 N 0.44 0.57 -0.55 1.72 5.19 -0.90 -1.09 116.42 121.81 2bes h ASP 143 Ca 0.04 -0.30 -0.09 0.00 -0.62 0.00 0.00 57.03 56.05 2bes h ASP 143 Cb 0.89 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 2bes h ASP 143 CO 0.08 1.00 -0.03 0.40 -3.12 0.00 0.00 179.24 177.57 2bes h ILE 144 N 0.39 1.27 -0.38 0.35 2.04 -1.32 -1.99 117.51 117.87 2bes h ILE 144 Ca 0.01 -1.16 -0.16 0.00 1.00 0.00 0.00 64.86 64.55 2bes h ILE 144 Cb 1.09 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2bes h ILE 144 CO 0.10 0.41 -0.39 0.25 0.00 0.00 0.00 178.15 178.52 2bes h LEU 145 N 0.87 0.98 -1.07 1.44 5.85 -1.34 -2.30 115.31 119.74 2bes h LEU 145 Ca 0.15 -0.45 -0.08 0.00 0.84 0.00 0.00 57.88 58.34 2bes h LEU 145 Cb 0.58 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2bes h LEU 145 CO 0.03 1.25 -0.20 0.00 -0.34 0.00 0.00 178.44 179.18 2bes h ALA 146 N 0.80 1.22 -0.21 1.25 0.00 -1.15 -1.39 119.26 119.77 2bes h ALA 146 Ca 0.06 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2bes h ALA 146 Cb 0.98 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2bes h ALA 146 CO 0.10 0.51 -0.48 1.49 0.00 0.00 0.00 179.25 180.86 2bes h GLU 147 N 0.38 0.56 -0.42 0.00 4.57 -1.24 -1.81 114.58 116.62 2bes h GLU 147 Ca 0.06 -0.32 -0.10 0.00 -1.18 0.00 0.00 59.36 57.83 2bes h GLU 147 Cb 0.57 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 2bes h GLU 147 CO 0.04 0.92 -0.13 -0.92 -1.18 0.00 0.00 179.01 177.73 2bes h TYR 148 N 0.45 0.86 0.00 0.92 5.03 -1.09 -2.77 116.97 120.36 2bes h TYR 148 Ca 0.02 -0.16 -0.06 0.00 2.58 0.00 0.00 58.73 61.11 2bes h TYR 148 Cb 1.00 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 39.05 2bes h TYR 148 CO 0.04 0.86 -0.27 1.49 -1.32 0.00 0.00 178.16 178.96 2bes h GLU 149 N 0.70 0.00 -0.05 1.82 4.81 -0.97 0.48 114.58 121.37 2bes h GLU 149 Ca 0.11 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 2bes h GLU 149 Cb 0.62 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.01 2bes h GLU 149 CO 0.04 0.27 -0.47 -0.09 -0.73 0.00 0.00 179.01 178.04 2bes h ARG 150 N 0.00 0.41 0.00 1.92 2.43 -1.07 -3.39 114.38 114.68 2bes h ARG 150 Ca -0.00 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2bes h ARG 150 Cb 0.54 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2bes h ARG 150 CO 0.04 1.02 -1.23 0.25 -1.51 0.00 0.00 179.97 178.53 2bes n THR 151 N -4.30 0.00 -2.83 0.20 -2.24 -1.07 -5.01 114.28 99.04 2bes n THR 151 Ca -0.09 -0.23 -0.18 0.00 -2.27 0.00 0.00 64.05 61.28 2bes n THR 151 Cb 0.59 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.71 -1.60 -3.59 4.78 8.25 0.17 -4.97 115.22 116.56 2bes n HIS 152 Ca -0.01 0.23 -0.40 0.00 -0.26 0.00 0.00 57.72 57.28 2bes n HIS 152 Cb 0.23 -3.14 -0.11 0.00 1.12 0.00 0.00 29.99 28.08 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 -5.46 3.00 0.16 -0.41 2.02 -1.26 -5.06 118.70 111.70 2bes s GLU 153 Ca 0.18 -0.96 -0.32 0.00 0.02 0.00 0.00 54.97 53.89 2bes s GLU 153 Cb -0.09 -3.73 -0.10 0.00 0.10 0.00 0.00 34.13 30.30 2bes s GLU 153 CO 0.22 -0.63 1.66 0.00 0.02 0.00 0.00 175.26 176.53 2bes s ALA 154 N 1.59 3.82 0.38 5.21 0.00 -1.26 -4.75 121.76 126.76 2bes s ALA 154 Ca 0.03 1.43 -0.25 0.00 0.00 0.00 0.00 51.96 53.17 2bes s ALA 154 Cb -0.19 -3.67 -0.09 0.00 0.00 0.00 0.00 23.12 19.18 2bes s ALA 154 CO 0.07 -0.91 1.09 -1.25 0.00 0.00 0.00 175.76 174.76 2bes s PRO 155 N 1.51 4.20 0.41 0.00 0.04 -1.26 -5.00 135.00 134.90 2bes s PRO 155 Ca 0.73 1.66 -0.25 0.00 0.04 0.00 0.00 61.00 63.18 2bes s PRO 155 Cb -0.45 -2.68 -0.08 0.00 0.04 0.00 0.00 34.50 31.32 2bes s PRO 155 CO 0.32 -0.14 1.16 -1.25 0.04 0.00 0.00 177.00 177.12 2bes s PRO 156 N -2.27 4.02 0.54 0.56 0.04 -1.26 -5.03 135.00 131.60 2bes s PRO 156 Ca 0.56 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 63.21 2bes s PRO 156 Cb -0.26 -2.62 -0.06 0.00 0.04 0.00 0.00 34.50 31.60 2bes s PRO 156 CO 0.33 -0.34 1.04 0.14 0.04 0.00 0.00 177.00 178.21 2bes s VAL 157 N -1.46 3.90 -1.43 -0.36 -7.23 -1.26 -5.31 120.40 107.25 2bes s VAL 157 Ca 0.58 1.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.75 2bes s VAL 157 Cb -0.29 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.20 2bes s VAL 157 CO 0.37 -0.43 0.36 -2.65 -0.31 0.00 0.00 175.10 172.44