#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bes s MET 4 N 0.00 3.04 -0.15 1.61 1.00 -1.26 -4.98 119.30 118.56 2bes s MET 4 Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 55.69 54.78 2bes s MET 4 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 34.83 32.24 2bes s MET 4 CO 0.00 0.41 0.83 0.50 0.00 0.00 0.00 175.02 176.76 2bes s ARG 5 N -0.16 4.33 -0.22 2.03 3.52 -1.26 -1.98 118.95 125.21 2bes s ARG 5 Ca 0.00 1.04 -0.00 0.00 -0.13 0.00 0.00 55.73 56.64 2bes s ARG 5 Cb -0.13 -3.55 0.06 0.00 -1.56 0.00 0.00 34.95 29.76 2bes s ARG 5 CO 0.03 -0.27 -0.03 0.08 -0.81 0.00 0.00 175.30 174.31 2bes s VAL 6 N 1.93 1.22 -0.37 7.11 1.01 -0.95 -1.19 120.40 129.16 2bes s VAL 6 Ca 0.39 -1.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 2bes s VAL 6 Cb -0.17 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.67 2bes s VAL 6 CO 0.14 -0.13 0.91 -0.31 0.00 0.00 0.00 175.10 175.71 2bes s TYR 7 N 1.54 3.08 -0.04 5.22 1.51 -0.69 -1.00 117.35 126.97 2bes s TYR 7 Ca -0.04 0.75 -0.02 0.00 -1.01 0.00 0.00 57.07 56.75 2bes s TYR 7 Cb -0.18 -3.62 -0.04 0.00 -0.11 0.00 0.00 41.96 38.01 2bes s TYR 7 CO -0.07 -0.81 0.09 -0.51 -1.11 0.00 0.00 175.55 173.14 2bes s LEU 8 N 3.43 3.98 0.01 -1.29 1.02 -0.65 -1.53 118.68 123.66 2bes s LEU 8 Ca 0.37 0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.75 2bes s LEU 8 Cb -0.12 -2.20 -0.01 0.00 0.02 0.00 0.00 46.19 43.87 2bes s LEU 8 CO 0.18 0.31 -0.02 -0.83 0.02 0.00 0.00 176.35 176.01 2bes s GLY 9 N -1.50 0.15 -0.17 -3.19 0.00 -0.80 -1.25 107.32 100.56 2bes s GLY 9 Ca 0.20 -0.35 -0.30 0.00 0.00 0.00 0.00 44.72 44.28 2bes s GLY 9 CO 0.11 -0.39 1.01 0.00 0.00 0.00 0.00 173.10 173.83 2bes s ALA 10 N -0.83 -1.94 0.40 3.20 0.00 -0.50 -0.70 121.76 121.39 2bes s ALA 10 Ca -0.09 1.61 0.02 0.00 0.00 0.00 0.00 51.96 53.50 2bes s ALA 10 Cb -0.06 -0.78 0.05 0.00 0.00 0.00 0.00 23.12 22.33 2bes s ALA 10 CO -0.01 -0.30 0.37 -0.40 0.00 0.00 0.00 175.76 175.42 2bes n ASP 11 N 0.81 0.67 -0.34 0.00 5.75 -1.14 -1.22 116.55 121.09 2bes n ASP 11 Ca -0.10 -1.52 0.14 0.00 -0.01 0.00 0.00 54.79 53.29 2bes n ASP 11 Cb 0.58 -0.22 0.35 0.00 -1.03 0.00 0.00 41.12 40.80 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 -0.26 0.98 0.00 2.11 2.07 -1.83 -1.04 115.15 117.18 2bes h HIS 12 Ca -0.12 0.03 -0.07 0.00 -2.85 0.00 0.00 60.37 57.36 2bes h HIS 12 Cb 0.49 -0.30 -0.01 0.00 2.57 0.00 0.00 27.41 30.17 2bes h HIS 12 CO 0.00 0.24 -0.33 0.00 -3.07 0.00 0.00 177.93 174.76 2bes h ALA 13 N 1.63 1.23 -0.17 6.11 0.00 -1.91 -2.87 119.26 123.28 2bes h ALA 13 Ca 0.55 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2bes h ALA 13 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2bes h ALA 13 CO -0.33 0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2bes n GLY 14 N -0.28 4.02 0.11 0.00 0.00 -0.93 -4.44 105.19 103.67 2bes n GLY 14 Ca -0.01 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 1.13 -0.14 -0.61 1.61 3.20 -0.97 -1.95 116.97 119.24 2bes h TYR 15 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2bes h TYR 15 Cb 1.13 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 2bes h TYR 15 CO 0.27 0.31 0.31 0.93 -1.64 0.00 0.00 178.16 178.34 2bes h GLU 16 N -0.67 0.86 -0.17 1.82 4.39 -1.87 -1.94 114.58 117.00 2bes h GLU 16 Ca -0.02 -0.10 -0.14 0.00 0.34 0.00 0.00 59.36 59.44 2bes h GLU 16 Cb 0.52 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2bes h GLU 16 CO 0.03 0.66 -0.50 1.25 -1.16 0.00 0.00 179.01 179.29 2bes h LEU 17 N 0.86 0.48 -0.88 1.33 5.85 -1.90 -2.79 115.31 118.26 2bes h LEU 17 Ca 0.22 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 2bes h LEU 17 Cb 0.07 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2bes h LEU 17 CO -0.03 0.90 0.24 0.50 -0.34 0.00 0.00 178.44 179.71 2bes h LYS 18 N 0.35 1.06 -0.12 1.25 3.64 -0.60 -0.64 116.57 121.51 2bes h LYS 18 Ca 0.02 -0.21 -0.11 0.00 -1.27 0.00 0.00 60.65 59.08 2bes h LYS 18 Cb 1.00 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2bes h LYS 18 CO 0.09 0.89 -0.41 1.96 -2.27 0.00 0.00 179.45 179.71 2bes h GLN 19 N 1.03 0.27 -0.00 1.90 1.08 -1.32 -0.94 115.11 117.11 2bes h GLN 19 Ca 0.23 -0.13 -0.15 0.00 -1.45 0.00 0.00 58.65 57.15 2bes h GLN 19 Cb 0.26 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2bes h GLN 19 CO -0.01 0.63 -0.72 0.00 -0.95 0.00 0.00 178.83 177.78 2bes h ARG 20 N 0.23 0.03 0.03 1.46 3.08 -1.19 -2.65 114.38 115.37 2bes h ARG 20 Ca 0.02 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 2bes h ARG 20 Cb 0.82 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2bes h ARG 20 CO 0.06 0.73 -0.99 0.82 -1.07 0.00 0.00 179.97 179.53 2bes h ILE 21 N 0.02 1.55 -0.52 2.04 2.04 -0.85 -2.44 117.51 119.35 2bes h ILE 21 Ca -0.01 -2.90 -0.09 0.00 1.00 0.00 0.00 64.86 62.86 2bes h ILE 21 Cb 1.27 2.66 -0.02 0.00 -0.74 0.00 0.00 36.82 39.99 2bes h ILE 21 CO 0.10 0.84 -0.03 0.40 0.00 0.00 0.00 178.15 179.46 2bes h ILE 22 N 0.07 1.27 -0.39 -0.67 2.04 -1.09 -1.08 117.51 117.66 2bes h ILE 22 Ca -0.06 -1.14 -0.15 0.00 1.00 0.00 0.00 64.86 64.52 2bes h ILE 22 Cb 1.67 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2bes h ILE 22 CO 0.15 0.40 -0.34 -0.08 0.00 0.00 0.00 178.15 178.28 2bes h GLU 23 N 0.80 0.89 -0.54 2.37 4.57 -1.51 -2.54 114.58 118.63 2bes h GLU 23 Ca 0.14 -0.44 -0.09 0.00 -1.18 0.00 0.00 59.36 57.79 2bes h GLU 23 Cb 0.57 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 2bes h GLU 23 CO 0.03 1.09 -0.02 1.25 -1.18 0.00 0.00 179.01 180.18 2bes h HIS 24 N 0.74 1.02 -0.25 0.92 2.76 -1.31 -2.53 115.15 116.49 2bes h HIS 24 Ca 0.07 -0.17 -0.13 0.00 -2.20 0.00 0.00 60.37 57.94 2bes h HIS 24 Cb 0.91 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 2bes h HIS 24 CO 0.06 0.92 -0.40 -0.07 -1.30 0.00 0.00 177.93 177.14 2bes h LEU 25 N 0.86 0.63 -0.63 0.26 3.38 -1.14 -2.37 115.31 116.30 2bes h LEU 25 Ca 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2bes h LEU 25 Cb 0.53 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2bes h LEU 25 CO 0.03 0.96 0.28 0.11 0.09 0.00 0.00 178.44 179.91 2bes h LYS 26 N 0.49 0.93 0.00 1.13 1.57 -1.34 -0.32 116.57 119.03 2bes h LYS 26 Ca 0.04 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2bes h LYS 26 Cb 0.90 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2bes h LYS 26 CO 0.08 0.76 0.00 1.96 -0.57 0.00 0.00 179.45 181.68 2bes h GLN 27 N 0.88 0.00 -0.31 3.15 4.20 -1.18 -3.05 115.11 118.80 2bes h GLN 27 Ca 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 2bes h GLN 27 Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2bes h GLN 27 CO -0.02 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.39 2bes n THR 28 N -2.71 2.38 -2.02 -0.54 -2.24 -0.91 -4.97 114.28 103.26 2bes n THR 28 Ca 0.02 -1.82 -0.00 0.00 -2.27 0.00 0.00 64.05 59.98 2bes n THR 28 Cb 0.33 -0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.34 0.37 3.70 3.38 0.00 -1.15 -4.91 105.19 106.25 2bes n GLY 29 Ca 0.23 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.04 2.59 -0.58 1.61 3.76 -0.14 -3.84 115.29 116.64 2bes s HIS 30 Ca 0.00 -0.58 0.04 0.00 -0.15 0.00 0.00 55.06 54.37 2bes s HIS 30 Cb -0.00 -1.87 0.14 0.00 1.11 0.00 0.00 32.58 31.96 2bes s HIS 30 CO 0.00 0.27 0.34 -2.00 -0.85 0.00 0.00 174.74 172.50 2bes s GLU 31 N -3.85 2.14 0.05 1.40 2.12 -0.84 -4.14 118.70 115.58 2bes s GLU 31 Ca 0.39 -2.87 -0.30 0.00 0.36 0.00 0.00 54.97 52.55 2bes s GLU 31 Cb 0.05 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 2bes s GLU 31 CO 0.21 -1.17 1.09 -1.25 -0.54 0.00 0.00 175.26 173.60 2bes s PRO 32 N -0.69 4.51 -0.26 4.30 0.04 -1.26 -2.25 135.00 139.39 2bes s PRO 32 Ca 0.20 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 2bes s PRO 32 Cb -0.19 -3.39 0.02 0.00 0.04 0.00 0.00 34.50 30.98 2bes s PRO 32 CO -0.06 -0.13 -0.01 0.42 0.04 0.00 0.00 177.00 177.26 2bes s ILE 33 N 0.90 3.28 -0.26 0.56 -1.09 -0.17 -4.94 121.20 119.48 2bes s ILE 33 Ca 0.55 -0.86 -0.26 0.00 -2.23 0.00 0.00 60.65 57.85 2bes s ILE 33 Cb -0.26 -2.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.97 2bes s ILE 33 CO 0.29 0.18 0.91 -0.62 -1.23 0.00 0.00 174.94 174.47 2bes s ASP 34 N 1.40 6.89 0.00 3.58 3.68 -1.26 -1.63 116.67 129.32 2bes s ASP 34 Ca 0.02 1.07 0.24 0.00 2.13 0.00 0.00 52.55 56.00 2bes s ASP 34 Cb -0.17 -2.47 0.33 0.00 -1.45 0.00 0.00 42.92 39.17 2bes s ASP 34 CO -0.02 -0.61 1.31 0.00 0.13 0.00 0.00 175.17 175.97 2bes n GLY 36 N 1.36 2.51 3.78 0.00 0.00 -1.26 -4.89 105.19 106.70 2bes n GLY 36 Ca 0.12 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.70 3.12 -0.56 4.61 0.00 -0.35 -1.41 121.76 124.46 2bes s ALA 37 Ca 0.00 0.68 0.24 0.00 0.00 0.00 0.00 51.96 52.88 2bes s ALA 37 Cb 0.00 -3.26 0.42 0.00 0.00 0.00 0.00 23.12 20.28 2bes s ALA 37 CO 0.00 -0.15 1.46 -0.07 0.00 0.00 0.00 175.76 177.00 2bes h LEU 38 N 2.63 0.00 -8.51 0.00 3.38 -1.91 -3.47 115.31 107.43 2bes h LEU 38 Ca -0.48 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.20 2bes h LEU 38 Cb 1.21 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 2bes h LEU 38 CO 0.63 0.04 -0.40 0.00 0.09 0.00 0.00 178.44 178.80 2bes s ARG 39 N -3.19 1.46 -0.27 1.13 1.70 -1.26 -5.13 118.95 113.39 2bes s ARG 39 Ca 0.07 -1.57 -0.29 0.00 -0.47 0.00 0.00 55.73 53.46 2bes s ARG 39 Cb 0.11 0.36 0.01 0.00 -0.57 0.00 0.00 34.95 34.86 2bes s ARG 39 CO 0.69 -0.55 1.11 -0.47 -1.08 0.00 0.00 175.30 175.00 2bes s TYR 40 N -3.89 3.13 -0.26 5.89 5.04 -1.26 -4.91 117.35 121.09 2bes s TYR 40 Ca 0.33 1.23 -0.01 0.00 -2.44 0.00 0.00 57.07 56.18 2bes s TYR 40 Cb 0.03 -3.56 0.08 0.00 0.35 0.00 0.00 41.96 38.87 2bes s TYR 40 CO 0.14 -0.88 0.06 0.34 -1.34 0.00 0.00 175.55 173.86 2bes s ASP 41 N 1.67 3.63 0.59 4.32 -1.08 -1.26 -5.04 116.67 119.50 2bes s ASP 41 Ca 0.47 -1.30 0.29 0.00 -0.52 0.00 0.00 52.55 51.49 2bes s ASP 41 Cb -0.15 -0.82 1.51 0.00 -1.46 0.00 0.00 42.92 42.00 2bes s ASP 41 CO 0.13 -0.35 1.93 0.00 0.52 0.00 0.00 175.17 177.40 2bes h ALA 42 N 8.12 2.09 -0.14 3.66 0.00 -1.95 -2.33 119.26 128.72 2bes h ALA 42 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2bes h ALA 42 Cb 1.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2bes h ALA 42 CO 0.42 -0.63 0.00 -0.25 0.00 0.00 0.00 179.25 178.78 2bes n ASP 43 N -3.71 2.55 -4.76 0.00 8.00 -1.26 -4.90 116.55 112.48 2bes n ASP 43 Ca 0.07 -1.74 -0.31 0.00 0.71 0.00 0.00 54.79 53.52 2bes n ASP 43 Cb 0.60 -0.08 0.09 0.00 -0.02 0.00 0.00 41.12 41.71 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 -1.23 4.43 -0.15 -2.24 1.47 -0.88 -5.04 116.67 113.04 2bes s ASP 44 Ca 0.22 1.89 -0.05 0.00 1.18 0.00 0.00 52.55 55.78 2bes s ASP 44 Cb 0.14 -2.53 -0.04 0.00 -0.34 0.00 0.00 42.92 40.15 2bes s ASP 44 CO 0.20 -2.08 0.04 -1.81 0.68 0.00 0.00 175.17 172.19 2bes s ASP 45 N -3.21 5.46 0.19 2.11 1.01 -1.26 -4.68 116.67 116.29 2bes s ASP 45 Ca 0.63 0.10 -0.06 0.00 0.71 0.00 0.00 52.55 53.93 2bes s ASP 45 Cb -0.18 -1.82 0.10 0.00 1.01 0.00 0.00 42.92 42.03 2bes s ASP 45 CO 0.54 0.25 1.55 0.10 0.21 0.00 0.00 175.17 177.81 2bes h TYR 46 N 6.15 0.88 -0.72 4.23 -0.00 -1.96 -3.37 116.97 122.18 2bes h TYR 46 Ca -0.41 -0.26 0.14 0.00 0.00 0.00 0.00 58.73 58.21 2bes h TYR 46 Cb 1.18 -0.19 -0.14 0.00 0.00 0.00 0.00 36.73 37.59 2bes h TYR 46 CO 0.59 1.01 -0.19 -1.35 -0.00 0.00 0.00 178.16 178.22 2bes h PRO 47 N 0.61 -0.01 -0.97 0.10 0.11 -1.97 -2.21 132.00 127.67 2bes h PRO 47 Ca 0.05 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.19 2bes h PRO 47 Cb 0.93 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.98 2bes h PRO 47 CO 0.08 -0.00 0.64 0.00 -0.21 0.00 0.00 178.00 178.51 2bes h ALA 48 N 1.69 1.34 -0.17 -0.75 0.00 -2.00 0.23 119.26 119.60 2bes h ALA 48 Ca 0.34 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 2bes h ALA 48 Cb 0.53 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2bes h ALA 48 CO -0.74 0.59 -0.53 0.74 0.00 0.00 0.00 179.25 179.32 2bes h PHE 49 N 1.28 0.61 0.11 0.00 -1.00 -1.64 -2.25 116.94 114.04 2bes h PHE 49 Ca 0.37 -0.21 -0.26 0.00 2.81 0.00 0.00 57.97 60.68 2bes h PHE 49 Cb -0.08 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.36 2bes h PHE 49 CO -0.00 0.91 -1.19 0.00 -1.61 0.00 0.00 178.31 176.42 2bes h ILE 51 N 0.08 1.34 -0.16 0.00 2.04 -1.01 -1.96 117.51 117.83 2bes h ILE 51 Ca -0.12 -1.74 -0.03 0.00 1.00 0.00 0.00 64.86 63.97 2bes h ILE 51 Cb 1.92 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 2bes h ILE 51 CO 0.19 0.52 -0.02 0.00 0.00 0.00 0.00 178.15 178.85 2bes h ALA 52 N 1.21 0.22 -0.38 1.87 0.00 -1.41 -1.56 119.26 119.21 2bes h ALA 52 Ca 0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2bes h ALA 52 Cb 0.98 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2bes h ALA 52 CO 0.08 -0.05 -0.18 0.00 0.00 0.00 0.00 179.25 179.11 2bes h ALA 53 N 0.75 0.96 0.03 0.00 0.00 -1.41 -2.30 119.26 117.29 2bes h ALA 53 Ca 0.04 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.35 2bes h ALA 53 Cb 0.42 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.07 2bes h ALA 53 CO 0.01 0.61 -1.06 0.00 0.00 0.00 0.00 179.25 178.81 2bes h ALA 54 N 1.15 0.18 -0.81 0.00 0.00 -1.38 -2.32 119.26 116.09 2bes h ALA 54 Ca 0.10 -0.72 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 2bes h ALA 54 Cb 0.66 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2bes h ALA 54 CO 0.05 0.74 0.34 1.15 0.00 0.00 0.00 179.25 181.53 2bes h THR 55 N 0.31 1.26 -0.08 0.00 2.02 -1.23 -2.31 112.91 112.87 2bes h THR 55 Ca -0.12 -0.79 -0.22 0.00 0.77 0.00 0.00 66.41 66.04 2bes h THR 55 Cb 1.71 0.28 0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2bes h THR 55 CO 0.20 0.33 -0.84 0.03 0.37 0.00 0.00 175.52 175.61 2bes h ARG 56 N 1.17 0.63 -0.52 6.66 3.08 -1.45 -2.38 114.38 121.57 2bes h ARG 56 Ca 0.27 -0.56 0.01 0.00 0.07 0.00 0.00 59.98 59.77 2bes h ARG 56 Cb 0.19 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2bes h ARG 56 CO -0.03 1.18 0.33 1.15 -1.07 0.00 0.00 179.97 181.53 2bes h THR 57 N 0.41 1.10 -0.19 2.04 2.02 -1.32 -2.05 112.91 114.91 2bes h THR 57 Ca -0.07 -0.23 -0.17 0.00 0.77 0.00 0.00 66.41 66.71 2bes h THR 57 Cb 1.46 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2bes h THR 57 CO 0.16 0.12 -0.59 0.58 0.37 0.00 0.00 175.52 176.17 2bes h VAL 58 N 0.66 1.32 0.00 3.16 2.07 -1.43 -2.86 116.25 119.18 2bes h VAL 58 Ca 0.20 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2bes h VAL 58 Cb -0.03 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2bes h VAL 58 CO -0.07 0.57 0.00 0.00 0.02 0.00 0.00 177.57 178.10 2bes n ALA 59 N -2.53 2.33 -3.55 1.67 0.00 -0.90 -4.09 120.51 113.44 2bes n ALA 59 Ca -0.04 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 2bes n ALA 59 Cb 0.63 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.23 1.75 -4.71 0.00 2.03 -0.78 -5.06 116.55 108.54 2bes n ASP 60 Ca 0.14 -2.94 -0.43 0.00 0.52 0.00 0.00 54.79 52.07 2bes n ASP 60 Cb 0.19 -0.66 -0.02 0.00 -0.72 0.00 0.00 41.12 39.90 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 1.89 2.39 0.00 -0.67 -0.02 -1.26 -2.19 135.00 135.14 2bes n PRO 61 Ca 0.25 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 2bes n PRO 61 Cb 0.43 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 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 2.11 1.24 3.93 -1.23 0.00 -1.26 -5.08 105.19 104.90 2bes n GLY 62 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.68 5.95 0.53 1.61 1.04 -0.93 -4.75 113.70 115.47 2bes s SER 63 Ca 0.00 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2bes s SER 63 Cb 0.00 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2bes s SER 63 CO 0.00 -0.67 0.03 0.18 0.98 0.00 0.00 173.24 173.76 2bes n LEU 64 N -2.16 0.00 -3.62 2.42 4.77 -0.34 -4.90 117.00 113.18 2bes n LEU 64 Ca 0.01 -3.26 -0.14 0.00 -0.03 0.00 0.00 56.01 52.58 2bes n LEU 64 Cb 0.57 0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.93 2bes n LEU 64 CO 0.50 -0.47 0.24 -0.83 -1.33 0.00 0.00 177.39 175.49 2bes s GLY 65 N -3.91 -0.37 -0.07 -0.72 0.00 0.60 -1.70 107.32 101.15 2bes s GLY 65 Ca 0.02 0.62 -0.02 0.00 0.00 0.00 0.00 44.72 45.34 2bes s GLY 65 CO 0.01 0.33 0.04 -0.42 0.00 0.00 0.00 173.10 173.06 2bes s ILE 66 N -2.03 0.14 -0.11 0.90 1.01 -0.58 -2.24 121.20 118.29 2bes s ILE 66 Ca -0.08 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 2bes s ILE 66 Cb -0.01 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 2bes s ILE 66 CO 0.01 0.16 0.02 0.68 0.00 0.00 0.00 174.94 175.82 2bes s VAL 67 N 2.07 4.49 -0.02 2.92 -7.23 -0.58 -1.91 120.40 120.14 2bes s VAL 67 Ca 0.04 -0.17 0.06 0.00 -1.81 0.00 0.00 61.98 60.10 2bes s VAL 67 Cb -0.13 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 2bes s VAL 67 CO -0.05 0.58 -0.19 -0.76 -0.31 0.00 0.00 175.10 174.38 2bes s LEU 68 N -0.66 2.02 0.00 1.32 2.01 0.13 -1.74 118.68 121.75 2bes s LEU 68 Ca 0.11 -0.35 0.00 0.00 0.01 0.00 0.00 54.13 53.90 2bes s LEU 68 Cb -0.12 -0.99 0.00 0.00 0.01 0.00 0.00 46.19 45.10 2bes s LEU 68 CO 0.02 0.22 0.00 0.61 1.01 0.00 0.00 176.35 178.21 2bes n GLY 69 N 2.71 4.50 0.08 -3.19 0.00 -1.03 -2.88 105.19 105.39 2bes n GLY 69 Ca -0.16 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.08 0.00 -0.02 0.00 -1.85 -0.79 103.07 100.33 2bes h GLY 70 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 2bes h GLY 70 CO 0.00 -0.03 -1.53 -1.14 0.00 0.00 0.00 176.54 173.84 2bes n SER 71 N -4.86 2.49 0.00 0.19 3.41 -1.26 -2.40 113.62 111.19 2bes n SER 71 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2bes n SER 71 Cb 0.28 1.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 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 1.96 0.81 0.10 5.00 0.00 -1.26 -3.21 105.19 108.59 2bes n GLY 72 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 0.32 0.39 1.61 2.35 -1.93 -2.58 115.58 115.74 2bes h ASN 73 Ca 0.00 -0.92 -0.05 0.00 -0.55 0.00 0.00 56.30 54.78 2bes h ASN 73 Cb 0.00 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2bes h ASN 73 CO 0.00 1.35 -0.22 1.23 -1.65 0.00 0.00 177.43 178.14 2bes h GLY 74 N -0.48 0.00 1.03 2.83 0.00 -1.99 -1.61 103.07 102.85 2bes h GLY 74 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.01 2bes h GLY 74 CO 0.08 0.00 -0.55 0.83 0.00 0.00 0.00 176.54 176.90 2bes h GLU 75 N 0.00 0.71 -0.01 4.80 3.07 -1.94 -2.21 114.58 118.99 2bes h GLU 75 Ca -0.00 -0.51 -0.18 0.00 -0.50 0.00 0.00 59.36 58.18 2bes h GLU 75 Cb 0.47 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2bes h GLU 75 CO 0.03 1.13 -0.79 -0.56 -1.40 0.00 0.00 179.01 177.42 2bes h GLN 76 N 0.41 0.15 -0.58 2.33 -0.00 -1.20 -2.29 115.11 113.93 2bes h GLN 76 Ca -0.01 -0.14 -0.03 0.00 -0.00 0.00 0.00 58.65 58.46 2bes h GLN 76 Cb 1.17 0.04 -0.03 0.00 -0.00 0.00 0.00 27.48 28.66 2bes h GLN 76 CO 0.12 0.86 0.23 0.82 -0.00 0.00 0.00 178.83 180.85 2bes h ILE 77 N 0.09 1.23 -0.51 1.86 2.04 -1.30 -0.49 117.51 120.43 2bes h ILE 77 Ca -0.03 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.03 2bes h ILE 77 Cb 1.37 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2bes h ILE 77 CO 0.12 0.27 -0.07 0.00 0.00 0.00 0.00 178.15 178.47 2bes h ALA 78 N 1.08 0.69 -0.14 1.87 0.00 -1.34 -2.80 119.26 118.62 2bes h ALA 78 Ca 0.19 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2bes h ALA 78 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2bes h ALA 78 CO -0.02 0.56 -0.19 0.00 0.00 0.00 0.00 179.25 179.61 2bes h ALA 79 N 0.91 1.43 0.00 0.00 0.00 -1.23 -2.87 119.26 117.51 2bes h ALA 79 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2bes h ALA 79 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2bes h ALA 79 CO 0.04 0.40 0.00 -0.91 0.00 0.00 0.00 179.25 178.78 2bes h ASN 80 N 0.21 0.00 1.32 0.00 2.35 -0.84 -2.81 115.58 115.82 2bes h ASN 80 Ca 0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2bes h ASN 80 Cb 0.46 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 2bes h ASN 80 CO 0.03 0.00 -0.01 0.11 -1.65 0.00 0.00 177.43 175.91 2bes h LYS 81 N 0.00 0.00 -6.46 0.81 1.79 -1.28 -3.44 116.57 107.99 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 0.72 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.37 2bes h LYS 81 CO 0.00 0.01 0.72 0.08 -1.08 0.00 0.00 179.45 179.18 2bes s VAL 82 N -3.52 3.68 0.21 0.50 1.01 -1.06 -4.97 120.40 116.25 2bes s VAL 82 Ca 0.03 1.16 -0.32 0.00 0.00 0.00 0.00 61.98 62.85 2bes s VAL 82 Cb 0.08 -3.74 -0.13 0.00 0.00 0.00 0.00 36.38 32.58 2bes s VAL 82 CO 0.59 0.05 1.54 -2.65 0.00 0.00 0.00 175.10 174.63 2bes n PRO 83 N 4.50 2.26 -0.12 2.72 -0.02 -1.26 -2.35 135.00 140.72 2bes n PRO 83 Ca 0.11 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2bes n PRO 83 Cb 0.44 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 2.87 1.77 3.84 -1.23 0.00 -1.26 -4.98 105.19 106.21 2bes n GLY 84 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.79 3.65 -0.23 4.61 0.00 -0.99 -4.97 121.76 121.05 2bes s ALA 85 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 2bes s ALA 85 Cb 0.00 -2.44 0.07 0.00 0.00 0.00 0.00 23.12 20.75 2bes s ALA 85 CO 0.00 0.48 0.05 1.03 0.00 0.00 0.00 175.76 177.32 2bes s ARG 86 N -1.57 0.73 -0.29 0.00 0.52 -1.26 -4.79 118.95 112.30 2bes s ARG 86 Ca 0.31 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 2bes s ARG 86 Cb -0.16 -2.08 0.06 0.00 0.52 0.00 0.00 34.95 33.29 2bes s ARG 86 CO 0.17 -0.73 -0.04 0.00 0.02 0.00 0.00 175.30 174.72 2bes s ALA 88 N 1.18 3.00 -0.32 0.00 0.00 -0.77 -4.84 121.76 120.01 2bes s ALA 88 Ca -0.06 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 2bes s ALA 88 Cb -0.20 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.20 2bes s ALA 88 CO -0.03 -1.36 0.11 -1.17 0.00 0.00 0.00 175.76 173.31 2bes s LEU 89 N -5.33 4.12 -0.37 0.00 2.96 -1.26 -0.69 118.68 118.11 2bes s LEU 89 Ca 0.60 -0.83 -0.18 0.00 -0.22 0.00 0.00 54.13 53.50 2bes s LEU 89 Cb -0.11 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.67 2bes s LEU 89 CO 0.46 -0.25 0.51 0.00 -1.32 0.00 0.00 176.35 175.75 2bes s ALA 90 N 1.50 3.45 -0.11 5.97 0.00 -0.61 -4.88 121.76 127.08 2bes s ALA 90 Ca 0.02 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.87 2bes s ALA 90 Cb -0.18 -3.05 0.03 0.00 0.00 0.00 0.00 23.12 19.92 2bes s ALA 90 CO 0.04 -1.34 0.94 -2.67 0.00 0.00 0.00 175.76 172.73 2bes n TRP 91 N 5.77 0.04 -3.79 0.00 4.27 -1.26 -4.55 117.44 117.92 2bes n TRP 91 Ca -0.05 -0.41 -0.05 0.00 -3.89 0.00 0.00 57.50 53.10 2bes n TRP 91 Cb 0.49 -0.04 -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 -0.84 -0.20 0.25 -0.67 1.04 -1.26 -5.02 113.70 106.99 2bes s SER 92 Ca 0.02 -0.48 -0.04 0.00 0.48 0.00 0.00 55.95 55.93 2bes s SER 92 Cb 0.01 0.57 0.29 0.00 0.10 0.00 0.00 66.02 67.00 2bes s SER 92 CO 0.02 -1.06 1.82 0.58 0.98 0.00 0.00 173.24 175.58 2bes h VAL 93 N 2.00 1.24 -0.37 5.02 2.07 -1.91 -2.15 116.25 122.16 2bes h VAL 93 Ca -0.22 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 2bes h VAL 93 Cb 1.24 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2bes h VAL 93 CO 0.25 0.31 -0.00 -0.61 0.02 0.00 0.00 177.57 177.53 2bes h GLN 94 N 1.01 0.65 0.00 1.57 4.15 -1.97 -2.17 115.11 118.36 2bes h GLN 94 Ca 0.23 -0.21 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 2bes h GLN 94 Cb 0.21 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2bes h GLN 94 CO -0.02 0.76 -0.33 1.79 -1.93 0.00 0.00 178.83 179.10 2bes h THR 95 N 0.47 0.66 -0.21 2.39 1.35 -1.93 -0.74 112.91 114.90 2bes h THR 95 Ca 0.10 -1.59 -0.14 0.00 -0.55 0.00 0.00 66.41 64.23 2bes h THR 95 Cb 0.47 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2bes h THR 95 CO 0.02 0.33 -0.43 0.00 -0.25 0.00 0.00 175.52 175.19 2bes h ALA 96 N 1.67 0.33 -0.11 6.62 0.00 -1.31 -2.02 119.26 124.44 2bes h ALA 96 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2bes h ALA 96 Cb 1.04 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2bes h ALA 96 CO 0.04 0.46 -0.04 0.00 0.00 0.00 0.00 179.25 179.71 2bes h ALA 97 N 0.61 0.15 -0.28 0.00 0.00 -1.28 -3.11 119.26 115.35 2bes h ALA 97 Ca 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2bes h ALA 97 Cb 1.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2bes h ALA 97 CO 0.10 -0.08 0.06 -0.07 0.00 0.00 0.00 179.25 179.25 2bes h LEU 98 N -0.12 0.36 -0.75 0.00 3.38 -1.21 -1.30 115.31 115.67 2bes h LEU 98 Ca 0.03 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2bes h LEU 98 Cb 0.48 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 2bes h LEU 98 CO 0.01 0.38 0.43 0.00 0.09 0.00 0.00 178.44 179.35 2bes h ALA 99 N 1.68 1.03 0.25 1.53 0.00 -1.30 -1.21 119.26 121.24 2bes h ALA 99 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2bes h ALA 99 Cb 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2bes h ALA 99 CO -0.00 0.10 -0.12 0.00 0.00 0.00 0.00 179.25 179.23 2bes h ARG 100 N 0.76 -0.32 -0.29 0.00 2.47 -1.23 -1.38 114.38 114.39 2bes h ARG 100 Ca 0.35 0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.93 2bes h ARG 100 Cb 0.25 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 2bes h ARG 100 CO -0.21 0.04 -0.44 1.05 0.56 0.00 0.00 179.97 180.97 2bes h GLU 101 N -0.90 0.74 0.01 0.04 4.11 -1.23 -2.77 114.58 114.57 2bes h GLU 101 Ca -0.03 -0.40 -0.32 0.00 0.07 0.00 0.00 59.36 58.67 2bes h GLU 101 Cb 0.50 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 2bes h GLU 101 CO 0.06 1.03 -1.77 0.72 0.07 0.00 0.00 179.01 179.11 2bes n HIS 102 N -4.02 0.66 0.63 2.06 8.25 -0.46 -2.96 115.22 119.36 2bes n HIS 102 Ca -0.02 0.27 0.11 0.00 -0.26 0.00 0.00 57.72 57.82 2bes n HIS 102 Cb 0.55 -1.07 0.04 0.00 1.12 0.00 0.00 29.99 30.64 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 -4.30 0.63 -3.37 0.41 5.03 -1.05 -4.78 115.26 107.82 2bes n ASN 103 Ca -0.40 -0.24 -0.24 0.00 0.87 0.00 0.00 54.58 54.56 2bes n ASN 103 Cb 0.78 0.73 0.02 0.00 -1.02 0.00 0.00 39.78 40.28 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 -1.91 -4.87 -4.63 6.41 5.15 -0.69 -4.87 115.26 109.86 2bes n ASN 104 Ca 0.02 -0.44 -0.43 0.00 -0.60 0.00 0.00 54.58 53.14 2bes n ASN 104 Cb 0.42 -3.95 -0.03 0.00 -0.53 0.00 0.00 39.78 35.70 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 -3.10 3.26 -0.13 5.20 0.00 -0.61 -4.86 121.76 121.51 2bes s ALA 105 Ca 0.43 0.69 0.30 0.00 0.00 0.00 0.00 51.96 53.38 2bes s ALA 105 Cb -0.21 -3.88 1.07 0.00 0.00 0.00 0.00 23.12 20.10 2bes s ALA 105 CO 0.53 -1.99 1.86 1.96 0.00 0.00 0.00 175.76 178.12 2bes h GLN 106 N 11.33 0.00 -4.94 0.00 7.50 -1.80 -3.43 115.11 123.77 2bes h GLN 106 Ca -0.38 0.00 -0.32 0.00 0.50 0.00 0.00 58.65 58.46 2bes h GLN 106 Cb 1.18 0.00 -0.18 0.00 0.05 0.00 0.00 27.48 28.53 2bes h GLN 106 CO 0.98 0.00 -0.73 -0.51 -1.50 0.00 0.00 178.83 177.07 2bes s LEU 107 N -5.88 2.40 0.02 1.46 1.02 -1.13 -0.29 118.68 116.28 2bes s LEU 107 Ca 0.03 -0.81 0.02 0.00 0.02 0.00 0.00 54.13 53.39 2bes s LEU 107 Cb 0.08 -0.29 -0.01 0.00 0.02 0.00 0.00 46.19 45.99 2bes s LEU 107 CO 0.55 -0.26 -0.06 0.27 0.02 0.00 0.00 176.35 176.87 2bes s ILE 108 N -2.42 0.44 -0.11 -0.59 -4.36 -0.95 -1.84 121.20 111.37 2bes s ILE 108 Ca 0.05 -0.61 -0.07 0.00 -0.26 0.00 0.00 60.65 59.76 2bes s ILE 108 Cb -0.03 -0.45 -0.04 0.00 1.25 0.00 0.00 42.46 43.19 2bes s ILE 108 CO -0.00 -0.12 0.16 -0.83 0.24 0.00 0.00 174.94 174.38 2bes s GLY 109 N -0.79 2.18 -0.02 6.27 0.00 0.14 -1.53 107.32 113.57 2bes s GLY 109 Ca -0.04 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.09 2bes s GLY 109 CO 0.00 -0.36 -0.09 -0.42 0.00 0.00 0.00 173.10 172.23 2bes s ILE 110 N -1.04 0.73 -0.28 0.90 1.01 -0.71 -1.58 121.20 120.23 2bes s ILE 110 Ca 0.16 -0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.29 2bes s ILE 110 Cb -0.12 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 2bes s ILE 110 CO 0.05 0.22 0.44 -0.83 0.00 0.00 0.00 174.94 174.82 2bes s GLY 111 N 0.03 1.86 0.50 6.18 0.00 -1.20 -2.45 107.32 112.24 2bes s GLY 111 Ca -0.00 -0.76 0.32 0.00 0.00 0.00 0.00 44.72 44.28 2bes s GLY 111 CO 0.00 1.11 1.95 -1.33 0.00 0.00 0.00 173.10 174.83 2bes h GLY 112 N 8.73 0.00 1.25 0.20 0.00 -1.02 -2.74 103.07 109.49 2bes h GLY 112 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2bes h GLY 112 CO 0.68 0.00 -0.39 0.54 0.00 0.00 0.00 176.54 177.37 2bes n ARG 113 N -2.94 0.03 0.04 4.80 1.74 -1.01 -4.16 116.66 115.15 2bes n ARG 113 Ca 0.01 0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.20 2bes n ARG 113 Cb 0.29 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.56 0.64 -4.35 5.56 2.81 -1.03 -5.00 117.12 114.18 2bes n MET 114 Ca 0.06 -0.04 -0.18 0.00 -1.81 0.00 0.00 57.70 55.73 2bes n MET 114 Cb 0.35 -1.66 -0.10 0.00 -0.71 0.00 0.00 33.22 31.09 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 -3.40 1.63 0.85 2.03 3.76 -1.24 -5.10 115.29 113.81 2bes s HIS 115 Ca -0.05 -0.95 -0.11 0.00 -0.15 0.00 0.00 55.06 53.80 2bes s HIS 115 Cb 0.12 -0.97 0.14 0.00 1.11 0.00 0.00 32.58 32.98 2bes s HIS 115 CO 0.85 -0.05 1.19 0.95 -0.85 0.00 0.00 174.74 176.83 2bes s THR 116 N -3.42 2.07 0.14 1.30 -4.23 -1.26 -4.89 115.64 105.35 2bes s THR 116 Ca 0.31 -0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 60.55 2bes s THR 116 Cb 0.06 -2.92 -0.00 0.00 1.34 0.00 0.00 72.50 70.98 2bes s THR 116 CO 0.10 0.00 1.55 0.58 -0.54 0.00 0.00 174.62 176.31 2bes h VAL 117 N -1.18 1.27 -0.72 2.29 2.07 -1.99 -2.19 116.25 115.80 2bes h VAL 117 Ca -0.43 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 65.79 2bes h VAL 117 Cb 1.27 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 2bes h VAL 117 CO 0.47 0.43 0.26 0.00 0.02 0.00 0.00 177.57 178.74 2bes h ALA 118 N 0.87 0.95 -0.41 1.67 0.00 -1.99 -1.83 119.26 118.51 2bes h ALA 118 Ca 0.11 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2bes h ALA 118 Cb 0.67 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2bes h ALA 118 CO 0.05 0.60 -0.17 0.93 0.00 0.00 0.00 179.25 180.65 2bes h GLU 119 N 1.06 0.79 -0.11 0.00 5.08 -1.92 -2.39 114.58 117.08 2bes h GLU 119 Ca 0.24 -0.29 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 2bes h GLU 119 Cb 0.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2bes h GLU 119 CO -0.01 0.91 -0.63 0.00 -1.00 0.00 0.00 179.01 178.28 2bes h ALA 120 N 1.10 0.72 -0.00 3.43 0.00 -1.21 -2.58 119.26 120.73 2bes h ALA 120 Ca 0.11 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 2bes h ALA 120 Cb 0.68 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2bes h ALA 120 CO 0.05 0.73 -0.69 -0.07 0.00 0.00 0.00 179.25 179.26 2bes h LEU 121 N 0.29 0.00 -0.68 0.00 3.38 -1.27 -2.31 115.31 114.72 2bes h LEU 121 Ca -0.01 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2bes h LEU 121 Cb 1.16 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2bes h LEU 121 CO 0.11 0.70 -0.41 0.00 0.09 0.00 0.00 178.44 178.92 2bes h ALA 122 N 1.30 0.85 -0.62 1.53 0.00 -1.36 -1.84 119.26 119.12 2bes h ALA 122 Ca -0.01 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2bes h ALA 122 Cb 1.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2bes h ALA 122 CO 0.09 0.64 0.05 0.82 0.00 0.00 0.00 179.25 180.86 2bes h ILE 123 N 0.45 1.26 -0.43 0.00 2.04 -1.29 -2.73 117.51 116.81 2bes h ILE 123 Ca 0.04 -1.08 -0.13 0.00 1.00 0.00 0.00 64.86 64.70 2bes h ILE 123 Cb 0.91 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2bes h ILE 123 CO 0.08 0.40 -0.23 0.58 0.00 0.00 0.00 178.15 178.97 2bes h VAL 124 N 0.97 1.27 -0.66 1.67 2.07 -1.27 -2.55 116.25 117.76 2bes h VAL 124 Ca 0.18 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 2bes h VAL 124 Cb 0.49 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2bes h VAL 124 CO 0.02 0.47 0.22 0.44 0.02 0.00 0.00 177.57 178.74 2bes h ASP 125 N 0.76 0.96 -0.18 0.57 3.32 -1.24 -2.16 116.42 118.44 2bes h ASP 125 Ca 0.10 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 2bes h ASP 125 Cb 0.78 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2bes h ASP 125 CO 0.06 0.90 -0.15 0.00 -1.72 0.00 0.00 179.24 178.34 2bes h ALA 126 N 1.09 1.14 -0.34 3.45 0.00 -1.43 -2.72 119.26 120.45 2bes h ALA 126 Ca 0.22 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2bes h ALA 126 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2bes h ALA 126 CO -0.01 0.54 -0.08 0.35 0.00 0.00 0.00 179.25 180.06 2bes h PHE 127 N 0.53 0.73 0.00 0.00 3.57 -1.04 -2.42 116.94 118.31 2bes h PHE 127 Ca 0.09 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2bes h PHE 127 Cb 0.56 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2bes h PHE 127 CO 0.02 0.81 -0.47 1.33 -2.23 0.00 0.00 178.31 177.77 2bes n VAL 128 N -4.43 0.34 -0.02 1.41 0.24 -0.85 -4.12 118.33 110.90 2bes n VAL 128 Ca -0.02 -0.23 0.03 0.00 -2.04 0.00 0.00 64.34 62.07 2bes n VAL 128 Cb 0.33 -0.19 -0.10 0.00 -1.47 0.00 0.00 33.84 32.41 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 -2.05 0.26 -2.50 3.34 -2.24 -1.03 -4.94 114.28 105.13 2bes n THR 129 Ca 0.04 -0.37 -0.43 0.00 -2.27 0.00 0.00 64.05 61.02 2bes n THR 129 Cb 0.42 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.74 4.39 0.55 4.28 2.01 -0.91 -5.02 115.64 118.20 2bes s THR 130 Ca -0.05 1.68 -0.16 0.00 0.31 0.00 0.00 61.69 63.47 2bes s THR 130 Cb 0.07 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.44 2bes s THR 130 CO 0.54 -0.08 1.02 -2.16 -0.69 0.00 0.00 174.62 173.24 2bes s PRO 131 N 2.88 3.68 -0.02 4.92 0.04 -1.26 -4.77 135.00 140.46 2bes s PRO 131 Ca 0.53 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 2bes s PRO 131 Cb -0.21 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2bes s PRO 131 CO 0.16 -0.50 1.26 -0.46 0.04 0.00 0.00 177.00 177.49 2bes s TRP 132 N -2.59 3.13 0.37 0.56 -0.00 -1.26 -3.71 118.94 115.44 2bes s TRP 132 Ca 0.60 1.11 0.11 0.00 -0.00 0.00 0.00 56.10 57.93 2bes s TRP 132 Cb -0.12 -3.49 0.72 0.00 -0.00 0.00 0.00 33.47 30.57 2bes s TRP 132 CO 0.35 -1.63 1.84 0.66 -0.00 0.00 0.00 176.95 178.16 2bes h SER 133 N 7.47 0.07 -0.60 5.86 4.64 -1.71 -3.47 113.55 125.81 2bes h SER 133 Ca -0.36 -0.02 -0.26 0.00 -0.47 0.00 0.00 61.79 60.68 2bes h SER 133 Cb 1.17 -0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 63.14 2bes h SER 133 CO 0.88 0.40 -0.24 0.29 -0.87 0.00 0.00 176.83 177.29 2bes n LYS 134 N -4.13 -0.97 -2.07 4.77 5.02 -1.26 -4.98 118.16 114.53 2bes n LYS 134 Ca -0.02 0.93 -0.39 0.00 -2.02 0.00 0.00 58.31 56.82 2bes n LYS 134 Cb 0.38 -5.00 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 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 -2.42 3.11 0.19 7.82 0.00 -1.26 -4.85 121.76 124.35 2bes s ALA 135 Ca 0.00 1.17 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 2bes s ALA 135 Cb 0.00 -3.47 0.22 0.00 0.00 0.00 0.00 23.12 19.87 2bes s ALA 135 CO 0.00 -0.87 1.70 0.37 0.00 0.00 0.00 175.76 176.96 2bes h GLN 136 N 2.32 0.19 -0.14 0.00 4.15 -1.99 -1.23 115.11 118.41 2bes h GLN 136 Ca -0.50 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 58.78 2bes h GLN 136 Cb 1.26 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 2bes h GLN 136 CO 0.61 0.13 -0.48 0.07 -1.93 0.00 0.00 178.83 177.23 2bes h ARG 137 N 0.20 0.36 -0.24 1.69 0.11 -1.99 -1.39 114.38 113.12 2bes h ARG 137 Ca 0.27 -0.20 -0.09 0.00 0.10 0.00 0.00 59.98 60.06 2bes h ARG 137 Cb 0.39 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.47 2bes h ARG 137 CO -0.38 0.76 -0.20 0.45 0.10 0.00 0.00 179.97 180.70 2bes h HIS 138 N 0.29 0.66 -0.18 4.08 3.86 -1.77 -2.61 115.15 119.49 2bes h HIS 138 Ca 0.02 -0.19 -0.05 0.00 -1.16 0.00 0.00 60.37 58.98 2bes h HIS 138 Cb 0.95 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 2bes h HIS 138 CO 0.03 0.87 -0.12 0.37 0.86 0.00 0.00 177.93 179.94 2bes h GLN 139 N 0.26 0.28 -0.48 2.45 5.75 -1.14 -2.04 115.11 120.19 2bes h GLN 139 Ca 0.04 -0.07 -0.13 0.00 -0.15 0.00 0.00 58.65 58.35 2bes h GLN 139 Cb 0.75 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 2bes h GLN 139 CO 0.05 0.41 -0.19 -0.09 -2.65 0.00 0.00 178.83 176.36 2bes h ARG 140 N 0.27 0.97 -0.24 1.69 2.43 -1.16 -1.48 114.38 116.85 2bes h ARG 140 Ca 0.05 -0.40 -0.14 0.00 -0.81 0.00 0.00 59.98 58.69 2bes h ARG 140 Cb 0.38 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2bes h ARG 140 CO 0.02 1.07 -0.40 0.00 -1.51 0.00 0.00 179.97 179.15 2bes h ARG 141 N 0.84 0.70 -0.61 0.20 3.08 -1.18 -2.21 114.38 115.20 2bes h ARG 141 Ca 0.11 -0.43 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 2bes h ARG 141 Cb 0.76 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 2bes h ARG 141 CO 0.06 1.05 0.19 0.82 -1.07 0.00 0.00 179.97 181.02 2bes h ILE 142 N 0.41 1.23 -0.07 2.04 2.04 -1.36 -2.42 117.51 119.38 2bes h ILE 142 Ca 0.02 -0.79 -0.12 0.00 1.00 0.00 0.00 64.86 64.97 2bes h ILE 142 Cb 0.99 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2bes h ILE 142 CO 0.09 0.30 -0.51 0.44 0.00 0.00 0.00 178.15 178.48 2bes h ASP 143 N 0.89 0.21 -0.52 1.72 3.32 -1.20 -2.03 116.42 118.81 2bes h ASP 143 Ca 0.20 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 2bes h ASP 143 Cb 0.26 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2bes h ASP 143 CO -0.01 0.68 -0.10 0.40 -1.72 0.00 0.00 179.24 178.49 2bes h ILE 144 N 0.15 1.27 -0.37 0.35 2.04 -1.08 -2.21 117.51 117.66 2bes h ILE 144 Ca 0.00 -1.25 -0.14 0.00 1.00 0.00 0.00 64.86 64.47 2bes h ILE 144 Cb 0.95 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2bes h ILE 144 CO 0.08 0.44 -0.34 0.25 0.00 0.00 0.00 178.15 178.57 2bes h LEU 145 N 0.87 0.88 -0.79 1.44 5.85 -1.26 -1.97 115.31 120.32 2bes h LEU 145 Ca 0.14 -0.38 -0.12 0.00 0.84 0.00 0.00 57.88 58.36 2bes h LEU 145 Cb 0.67 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2bes h LEU 145 CO 0.05 1.13 -0.33 0.00 -0.34 0.00 0.00 178.44 178.95 2bes h ALA 146 N 0.91 0.96 -0.22 1.25 0.00 -1.35 -1.40 119.26 119.41 2bes h ALA 146 Ca 0.07 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2bes h ALA 146 Cb 0.90 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2bes h ALA 146 CO 0.08 0.61 -0.27 1.49 0.00 0.00 0.00 179.25 181.16 2bes h GLU 147 N 0.45 0.43 -0.12 0.00 4.57 -1.29 -2.36 114.58 116.26 2bes h GLU 147 Ca 0.05 -0.16 -0.13 0.00 -1.18 0.00 0.00 59.36 57.94 2bes h GLU 147 Cb 0.80 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 2bes h GLU 147 CO 0.06 0.67 -0.50 -0.92 -1.18 0.00 0.00 179.01 177.14 2bes h TYR 148 N 0.38 0.37 -0.23 0.92 5.03 -0.93 -2.86 116.97 119.65 2bes h TYR 148 Ca 0.05 -0.12 -0.08 0.00 2.58 0.00 0.00 58.73 61.16 2bes h TYR 148 Cb 0.68 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.87 2bes h TYR 148 CO 0.02 0.74 -0.20 0.93 -1.32 0.00 0.00 178.16 178.33 2bes h GLU 149 N 0.24 0.41 -0.11 1.82 5.08 -0.91 0.20 114.58 121.30 2bes h GLU 149 Ca 0.01 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.09 2bes h GLU 149 Cb 0.96 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.18 2bes h GLU 149 CO 0.08 0.60 -0.51 -0.09 -1.00 0.00 0.00 179.01 178.09 2bes h ARG 150 N 0.37 0.54 0.00 2.33 2.43 -1.31 -3.38 114.38 115.37 2bes h ARG 150 Ca 0.06 -0.43 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 2bes h ARG 150 Cb 0.56 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2bes h ARG 150 CO 0.04 1.06 -1.67 0.25 -1.51 0.00 0.00 179.97 178.14 2bes n THR 151 N -4.22 0.05 -2.59 0.20 -2.24 -1.09 -5.00 114.28 99.39 2bes n THR 151 Ca -0.08 -0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.16 2bes n THR 151 Cb 0.60 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.02 -1.33 -3.75 4.78 8.25 0.68 -4.96 115.22 116.87 2bes n HIS 152 Ca -0.04 0.14 -0.38 0.00 -0.26 0.00 0.00 57.72 57.19 2bes n HIS 152 Cb 0.40 -3.88 -0.12 0.00 1.12 0.00 0.00 29.99 27.51 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 -5.24 2.70 0.14 -0.41 2.02 -1.26 -5.07 118.70 111.59 2bes s GLU 153 Ca 0.09 -1.12 -0.32 0.00 0.02 0.00 0.00 54.97 53.64 2bes s GLU 153 Cb -0.04 -3.46 -0.12 0.00 0.10 0.00 0.00 34.13 30.62 2bes s GLU 153 CO 0.11 -0.63 1.76 0.00 0.02 0.00 0.00 175.26 176.52 2bes n ALA 154 N 4.83 2.19 -1.64 5.21 0.00 -1.26 -4.79 120.51 125.05 2bes n ALA 154 Ca -0.13 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.33 2bes n ALA 154 Cb 0.45 -2.53 0.02 0.00 0.00 0.00 0.00 19.45 17.40 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 2.02 3.08 0.47 0.00 0.04 -1.26 -4.95 135.00 134.41 2bes s PRO 155 Ca 0.80 1.48 -0.24 0.00 0.04 0.00 0.00 61.00 63.08 2bes s PRO 155 Cb -0.53 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 2bes s PRO 155 CO 0.37 -1.04 1.37 -0.35 0.04 0.00 0.00 177.00 177.39 2bes n PRO 156 N -1.89 2.01 -3.27 0.56 -0.04 -1.26 -4.96 135.00 126.15 2bes n PRO 156 Ca 0.11 0.72 -0.42 0.00 -0.04 0.00 0.00 63.50 63.88 2bes n PRO 156 Cb 0.52 -2.56 -0.08 0.00 -0.04 0.00 0.00 33.50 31.34 2bes n PRO 156 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bes s VAL 157 N -1.22 5.04 0.06 0.52 1.01 -1.26 -5.03 120.40 119.52 2bes s VAL 157 Ca 0.64 0.18 -0.33 0.00 0.00 0.00 0.00 61.98 62.47 2bes s VAL 157 Cb -0.45 -3.96 -0.12 0.00 0.00 0.00 0.00 36.38 31.85 2bes s VAL 157 CO 0.55 -0.25 1.78 -2.65 0.00 0.00 0.00 175.10 174.54 2bes n PRO 158 N 5.69 2.41 -1.70 2.72 -0.02 -1.26 -2.24 135.00 140.61 2bes n PRO 158 Ca -0.06 0.88 -0.05 0.00 -2.02 0.00 0.00 63.50 62.25 2bes n PRO 158 Cb 0.49 -2.72 -0.01 0.00 -0.02 0.00 0.00 33.50 31.23 2bes n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bes n GLY 159 N 4.06 0.41 0.00 -1.23 0.00 -1.26 -5.34 105.19 101.83 2bes n GLY 159 Ca 0.19 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.59 2bes n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32