#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9b n ALA 15 N 0.00 2.28 0.12 -1.67 0.00 -0.67 -4.98 120.51 115.59 2c9b n ALA 15 Ca 0.00 -3.39 0.03 0.00 0.00 0.00 0.00 53.44 50.09 2c9b n ALA 15 Cb 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.54 2c9b n ALA 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c9b h SER 16 N 3.00 0.00 0.50 0.00 4.64 -1.83 -3.32 113.55 116.54 2c9b h SER 16 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2c9b h SER 16 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2c9b h SER 16 CO 0.51 0.44 -0.02 0.61 -0.87 0.00 0.00 176.83 177.49 2c9b n GLY 17 N 1.25 -1.21 3.70 -0.77 0.00 -1.26 -4.86 105.19 102.04 2c9b n GLY 17 Ca -0.00 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2c9b n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c9b s VAL 18 N -2.52 5.25 -0.07 1.61 0.11 -1.25 -5.06 120.40 118.46 2c9b s VAL 18 Ca 0.30 0.66 -0.25 0.00 -2.93 0.00 0.00 61.98 59.76 2c9b s VAL 18 Cb 0.20 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 31.33 2c9b s VAL 18 CO 0.46 0.32 0.77 -0.13 -3.33 0.00 0.00 175.10 173.19 2c9b s ARG 19 N 0.87 4.44 -0.03 1.54 0.52 -1.26 -4.97 118.95 120.06 2c9b s ARG 19 Ca 0.19 0.99 0.05 0.00 -0.52 0.00 0.00 55.73 56.43 2c9b s ARG 19 Cb -0.14 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 2c9b s ARG 19 CO 0.06 -0.01 -0.18 -1.17 0.02 0.00 0.00 175.30 174.02 2c9b s LEU 20 N 1.04 1.99 0.00 2.53 2.96 -1.26 -0.88 118.68 125.06 2c9b s LEU 20 Ca 0.40 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 54.02 2c9b s LEU 20 Cb -0.18 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 2c9b s LEU 20 CO 0.19 0.20 -0.18 0.00 -1.32 0.00 0.00 176.35 175.24 2c9b s ALA 21 N -0.23 1.50 -0.13 5.97 0.00 -0.81 -1.73 121.76 126.33 2c9b s ALA 21 Ca 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2c9b s ALA 21 Cb -0.09 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.70 2c9b s ALA 21 CO 0.01 0.35 -0.12 0.42 0.00 0.00 0.00 175.76 176.42 2c9b s ILE 22 N -0.54 1.34 -0.21 0.00 1.01 0.11 -1.00 121.20 121.92 2c9b s ILE 22 Ca 0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 2c9b s ILE 22 Cb -0.07 -1.29 -0.00 0.00 0.01 0.00 0.00 42.46 41.10 2c9b s ILE 22 CO 0.00 0.42 -0.07 0.54 0.00 0.00 0.00 174.94 175.83 2c9b s VAL 23 N 1.53 3.14 -0.05 2.92 0.11 -0.07 -1.54 120.40 126.43 2c9b s VAL 23 Ca 0.04 -0.58 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 2c9b s VAL 23 Cb -0.13 -2.41 0.00 0.00 -1.53 0.00 0.00 36.38 32.32 2c9b s VAL 23 CO -0.09 0.45 -0.16 0.00 -3.33 0.00 0.00 175.10 171.97 2c9b s ALA 24 N 1.38 1.46 0.78 1.54 0.00 -0.95 -1.42 121.76 124.55 2c9b s ALA 24 Ca 0.05 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 2c9b s ALA 24 Cb -0.14 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 22.49 2c9b s ALA 24 CO -0.04 0.22 1.13 -1.54 0.00 0.00 0.00 175.76 175.52 2c9b s SER 25 N 0.29 4.78 -0.01 0.00 1.04 -0.90 -2.01 113.70 116.89 2c9b s SER 25 Ca -0.09 1.00 0.10 0.00 0.48 0.00 0.00 55.95 57.44 2c9b s SER 25 Cb -0.13 -1.65 -0.15 0.00 0.10 0.00 0.00 66.02 64.19 2c9b s SER 25 CO 0.03 -1.75 0.25 -1.20 0.98 0.00 0.00 173.24 171.55 2c9b n SER 26 N -3.25 2.37 -4.67 7.02 7.64 -0.16 -4.83 113.62 117.74 2c9b n SER 26 Ca 0.07 -0.11 -0.47 0.00 1.01 0.00 0.00 58.87 59.37 2c9b n SER 26 Cb 0.59 1.39 -0.04 0.00 -1.01 0.00 0.00 64.21 65.13 2c9b n SER 26 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2c9b n TRP 27 N -1.76 2.25 -2.89 1.43 -0.00 -0.92 -2.31 117.44 113.23 2c9b n TRP 27 Ca -0.01 0.21 -0.03 0.00 -0.00 0.00 0.00 57.50 57.67 2c9b n TRP 27 Cb 0.24 -2.57 0.00 0.00 -0.00 0.00 0.00 31.31 28.99 2c9b n TRP 27 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 2c9b n HIS 28 N 4.30 -3.04 -0.12 5.87 8.25 -1.26 -4.51 115.22 124.71 2c9b n HIS 28 Ca 0.19 1.19 -0.07 0.00 -0.26 0.00 0.00 57.72 58.77 2c9b n HIS 28 Cb 0.28 -3.98 0.01 0.00 1.12 0.00 0.00 29.99 27.43 2c9b n HIS 28 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2c9b h GLY 29 N 1.06 0.54 0.74 -1.41 0.00 -1.83 -3.08 103.07 99.08 2c9b h GLY 29 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.21 2c9b h GLY 29 CO 0.24 0.14 0.28 1.70 0.00 0.00 0.00 176.54 178.90 2c9b h LYS 30 N 0.45 0.52 -0.12 4.80 3.64 -1.93 -2.45 116.57 121.48 2c9b h LYS 30 Ca 0.16 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.33 2c9b h LYS 30 Cb 0.02 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2c9b h LYS 30 CO -0.08 0.34 -0.67 0.82 -2.27 0.00 0.00 179.45 177.60 2c9b h ILE 31 N 0.54 1.35 -0.54 2.00 2.04 -1.94 -3.15 117.51 117.81 2c9b h ILE 31 Ca 0.23 -1.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.08 2c9b h ILE 31 Cb 0.13 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 2c9b h ILE 31 CO -0.15 0.61 0.28 0.00 0.00 0.00 0.00 178.15 178.89 2c9b h ASP 33 N 0.72 0.00 -0.32 0.00 5.19 -1.47 -0.37 116.42 120.17 2c9b h ASP 33 Ca 0.19 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.52 2c9b h ASP 33 Cb 0.07 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2c9b h ASP 33 CO -0.03 0.19 -0.12 0.00 -3.12 0.00 0.00 179.24 176.16 2c9b h ALA 34 N 1.81 0.44 -0.38 3.45 0.00 -1.43 -2.11 119.26 121.04 2c9b h ALA 34 Ca -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2c9b h ALA 34 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2c9b h ALA 34 CO 0.02 0.32 0.05 -0.07 0.00 0.00 0.00 179.25 179.57 2c9b h LEU 35 N 0.41 0.61 -1.08 0.00 3.38 -0.88 -1.42 115.31 116.33 2c9b h LEU 35 Ca 0.07 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2c9b h LEU 35 Cb 0.64 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2c9b h LEU 35 CO 0.04 0.72 0.03 0.25 0.09 0.00 0.00 178.44 179.57 2c9b h LEU 36 N 0.47 0.64 -0.57 1.67 5.85 -1.15 -1.00 115.31 121.21 2c9b h LEU 36 Ca 0.11 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 2c9b h LEU 36 Cb 0.38 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2c9b h LEU 36 CO 0.01 0.69 -0.00 -0.78 -0.34 0.00 0.00 178.44 178.02 2c9b h ASP 37 N 0.65 0.99 -0.42 1.25 -0.00 -1.20 -0.96 116.42 116.72 2c9b h ASP 37 Ca 0.14 -0.31 -0.05 0.00 -0.00 0.00 0.00 57.03 56.81 2c9b h ASP 37 Cb 0.36 -0.27 -0.02 0.00 -0.00 0.00 0.00 39.33 39.40 2c9b h ASP 37 CO 0.01 1.06 0.11 1.23 -0.00 0.00 0.00 179.24 181.65 2c9b h GLY 38 N 0.90 0.80 0.69 -0.78 0.00 -0.88 -2.34 103.07 101.45 2c9b h GLY 38 Ca 0.16 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2c9b h GLY 38 CO 0.03 0.43 -0.06 0.00 0.00 0.00 0.00 176.54 176.94 2c9b h ALA 39 N 1.40 -0.17 -0.92 3.60 0.00 -0.93 -3.18 119.26 119.06 2c9b h ALA 39 Ca 0.16 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2c9b h ALA 39 Cb 0.28 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2c9b h ALA 39 CO -0.00 -0.44 0.57 0.00 0.00 0.00 0.00 179.25 179.38 2c9b h ARG 40 N -0.48 0.95 -0.13 0.00 3.08 -1.12 -2.21 114.38 114.49 2c9b h ARG 40 Ca -0.02 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.02 2c9b h ARG 40 Cb 0.38 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 2c9b h ARG 40 CO 0.03 0.63 -0.16 0.87 -1.07 0.00 0.00 179.97 180.27 2c9b h LYS 41 N 0.98 -0.20 -0.39 0.04 6.56 -1.46 -1.22 116.57 120.89 2c9b h LYS 41 Ca 0.43 0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.98 2c9b h LYS 41 Cb 0.30 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.99 2c9b h LYS 41 CO -0.21 -0.13 0.06 0.28 -2.06 0.00 0.00 179.45 177.38 2c9b h VAL 42 N -0.21 1.24 -0.44 0.50 2.07 -1.48 -1.23 116.25 116.70 2c9b h VAL 42 Ca 0.09 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.80 2c9b h VAL 42 Cb 0.34 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2c9b h VAL 42 CO -0.25 0.30 0.15 0.00 0.02 0.00 0.00 177.57 177.79 2c9b h ALA 43 N 0.92 0.52 -0.18 1.67 0.00 -1.25 -1.07 119.26 119.87 2c9b h ALA 43 Ca 0.12 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2c9b h ALA 43 Cb 0.37 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2c9b h ALA 43 CO 0.01 -0.24 -0.18 0.00 0.00 0.00 0.00 179.25 178.84 2c9b h ALA 44 N 1.29 1.37 -0.44 0.00 0.00 -0.96 0.54 119.26 121.06 2c9b h ALA 44 Ca 0.21 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2c9b h ALA 44 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2c9b h ALA 44 CO -0.22 0.43 -0.23 0.78 0.00 0.00 0.00 179.25 180.02 2c9b h GLY 45 N 0.88 0.97 1.85 0.00 0.00 -0.29 -3.06 103.07 103.41 2c9b h GLY 45 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.54 2c9b h GLY 45 CO 0.03 0.77 -0.09 0.00 0.00 0.00 0.00 176.54 177.25 2c9b n GLY 47 N 1.43 1.92 2.92 0.00 0.00 -1.12 -1.67 105.19 108.67 2c9b n GLY 47 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2c9b n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9b s LEU 48 N 0.00 3.30 0.11 0.99 1.43 0.16 -4.67 118.68 120.01 2c9b s LEU 48 Ca 0.00 -1.66 0.13 0.00 -1.03 0.00 0.00 54.13 51.57 2c9b s LEU 48 Cb 0.00 -1.27 -0.12 0.00 0.03 0.00 0.00 46.19 44.83 2c9b s LEU 48 CO 0.00 -0.33 1.05 0.44 0.23 0.00 0.00 176.35 177.74 2c9b h ASP 49 N 7.86 0.00 -2.22 2.29 3.45 -1.88 -2.84 116.42 123.09 2c9b h ASP 49 Ca -0.12 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.76 2c9b h ASP 49 Cb 1.04 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 39.41 2c9b h ASP 49 CO 0.47 0.75 -0.92 0.47 -1.57 0.00 0.00 179.24 178.44 2c9b n ASP 50 N -3.12 1.07 -4.81 6.45 9.92 -1.26 -4.94 116.55 119.87 2c9b n ASP 50 Ca -0.06 -2.84 -0.33 0.00 -0.53 0.00 0.00 54.79 51.04 2c9b n ASP 50 Cb 0.88 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 2c9b n ASP 50 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2c9b s PRO 51 N -1.23 3.41 -0.25 -0.24 0.04 -1.26 -4.98 135.00 130.48 2c9b s PRO 51 Ca 0.35 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 2c9b s PRO 51 Cb 0.12 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 2c9b s PRO 51 CO -0.11 -0.74 1.44 0.99 0.04 0.00 0.00 177.00 178.62 2c9b s THR 52 N -2.42 3.94 -0.21 1.26 2.01 -0.71 -4.90 115.64 114.62 2c9b s THR 52 Ca 0.64 1.07 -0.03 0.00 0.31 0.00 0.00 61.69 63.68 2c9b s THR 52 Cb -0.16 -3.94 -0.00 0.00 0.01 0.00 0.00 72.50 68.41 2c9b s THR 52 CO 0.35 -0.37 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.14 2c9b s VAL 53 N 4.68 3.10 0.07 3.82 1.01 -1.26 0.07 120.40 131.89 2c9b s VAL 53 Ca 0.63 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 62.12 2c9b s VAL 53 Cb -0.21 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2c9b s VAL 53 CO 0.25 0.45 -0.25 -0.69 0.00 0.00 0.00 175.10 174.86 2c9b s VAL 54 N 1.39 2.28 0.03 2.92 1.01 -0.59 -5.01 120.40 122.44 2c9b s VAL 54 Ca 0.05 -1.47 0.04 0.00 0.00 0.00 0.00 61.98 60.60 2c9b s VAL 54 Cb -0.14 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2c9b s VAL 54 CO -0.05 0.28 -0.07 -0.13 0.00 0.00 0.00 175.10 175.12 2c9b s ARG 55 N -1.53 2.44 0.31 2.72 1.81 -1.26 -2.23 118.95 121.21 2c9b s ARG 55 Ca 0.13 -0.81 0.03 0.00 -1.72 0.00 0.00 55.73 53.36 2c9b s ARG 55 Cb -0.10 -2.45 -0.05 0.00 -0.45 0.00 0.00 34.95 31.90 2c9b s ARG 55 CO 0.04 0.57 0.09 0.14 -0.68 0.00 0.00 175.30 175.46 2c9b s VAL 56 N -1.07 0.78 -0.15 3.52 -7.23 -0.85 -4.95 120.40 110.45 2c9b s VAL 56 Ca 0.19 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.13 2c9b s VAL 56 Cb -0.11 -2.65 -0.24 0.00 0.56 0.00 0.00 36.38 33.94 2c9b s VAL 56 CO 0.10 0.00 0.49 0.25 -0.31 0.00 0.00 175.10 175.63 2c9b h LEU 57 N 2.20 0.12 -9.36 1.32 5.85 -1.93 -0.41 115.31 113.09 2c9b h LEU 57 Ca -0.38 -0.76 -0.52 0.00 0.84 0.00 0.00 57.88 57.05 2c9b h LEU 57 Cb 1.25 -0.04 -0.13 0.00 0.37 0.00 0.00 40.66 42.11 2c9b h LEU 57 CO 0.63 1.38 -0.56 -0.83 -0.34 0.00 0.00 178.44 178.72 2c9b s GLY 58 N -4.69 2.38 0.33 3.75 0.00 -1.26 -2.17 107.32 105.67 2c9b s GLY 58 Ca -0.23 -1.54 0.16 0.00 0.00 0.00 0.00 44.72 43.11 2c9b s GLY 58 CO 0.68 -1.83 1.65 0.00 0.00 0.00 0.00 173.10 173.60 2c9b h ALA 59 N 1.92 0.91 0.00 3.20 0.00 -1.94 -2.99 119.26 120.36 2c9b h ALA 59 Ca -0.38 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 2c9b h ALA 59 Cb 1.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2c9b h ALA 59 CO 0.63 0.58 -0.14 0.82 0.00 0.00 0.00 179.25 181.13 2c9b h ILE 60 N 0.00 0.60 -0.00 0.00 2.04 -1.97 -2.87 117.51 115.31 2c9b h ILE 60 Ca -0.00 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2c9b h ILE 60 Cb 1.04 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2c9b h ILE 60 CO 0.06 0.14 -0.19 -0.62 0.00 0.00 0.00 178.15 177.54 2c9b n GLU 61 N -3.63 0.18 0.04 2.37 4.71 -1.13 -4.39 120.64 118.79 2c9b n GLU 61 Ca -0.02 -0.06 -0.13 0.00 -0.01 0.00 0.00 57.16 56.95 2c9b n GLU 61 Cb 0.27 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.11 2c9b n GLU 61 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2c9b h ILE 62 N 0.14 1.13 -0.75 -3.67 2.04 -1.62 -3.30 117.51 111.48 2c9b h ILE 62 Ca 0.00 -0.96 0.15 0.00 1.00 0.00 0.00 64.86 65.05 2c9b h ILE 62 Cb 0.46 1.73 -0.10 0.00 -0.74 0.00 0.00 36.82 38.18 2c9b h ILE 62 CO 0.00 0.23 0.27 -0.65 0.00 0.00 0.00 178.15 178.00 2c9b h PRO 63 N -0.58 0.39 -0.41 2.37 0.11 -1.78 -0.52 132.00 131.57 2c9b h PRO 63 Ca -0.01 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 2c9b h PRO 63 Cb 0.47 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 2c9b h PRO 63 CO 0.02 0.26 -0.03 -0.24 -0.21 0.00 0.00 178.00 177.80 2c9b h VAL 64 N 0.40 1.23 0.01 3.15 3.04 -1.85 -1.14 116.25 121.08 2c9b h VAL 64 Ca 0.42 -0.95 -0.20 0.00 -1.01 0.00 0.00 66.70 64.95 2c9b h VAL 64 Cb 0.65 0.95 -0.02 0.00 -2.01 0.00 0.00 31.29 30.87 2c9b h VAL 64 CO -0.43 0.33 -0.92 0.58 -1.01 0.00 0.00 177.57 176.12 2c9b h VAL 65 N 0.62 1.56 -0.44 1.51 2.07 -1.47 -3.12 116.25 116.99 2c9b h VAL 65 Ca 0.12 -2.86 -0.08 0.00 0.82 0.00 0.00 66.70 64.70 2c9b h VAL 65 Cb 0.43 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 2c9b h VAL 65 CO 0.02 0.83 -0.06 0.00 0.02 0.00 0.00 177.57 178.38 2c9b h ALA 66 N 1.00 1.07 -0.82 1.67 0.00 -0.72 -1.42 119.26 120.04 2c9b h ALA 66 Ca -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2c9b h ALA 66 Cb 1.58 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 2c9b h ALA 66 CO 0.13 0.58 0.42 0.37 0.00 0.00 0.00 179.25 180.74 2c9b h GLN 67 N 0.70 1.17 -0.14 0.00 4.15 -1.22 -1.32 115.11 118.43 2c9b h GLN 67 Ca 0.13 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2c9b h GLN 67 Cb 0.51 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 2c9b h GLN 67 CO 0.03 0.88 -0.23 1.49 -1.93 0.00 0.00 178.83 179.07 2c9b h GLU 68 N 1.15 0.41 0.00 1.69 4.57 -1.46 -3.20 114.58 117.74 2c9b h GLU 68 Ca 0.28 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2c9b h GLU 68 Cb 0.08 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2c9b h GLU 68 CO -0.04 0.84 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.50 2c9b h LEU 69 N 0.02 0.00 -1.24 1.64 3.38 -1.17 -2.78 115.31 115.16 2c9b h LEU 69 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2c9b h LEU 69 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2c9b h LEU 69 CO 0.05 0.06 -0.08 0.00 0.09 0.00 0.00 178.44 178.57 2c9b h ALA 70 N 1.94 1.01 0.00 1.53 0.00 -1.23 -3.02 119.26 119.49 2c9b h ALA 70 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2c9b h ALA 70 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2c9b h ALA 70 CO 0.01 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.89 2c9b n ARG 71 N -3.20 0.00 -0.30 0.00 1.74 -1.05 -3.63 116.66 110.23 2c9b n ARG 71 Ca 0.01 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2c9b n ARG 71 Cb 0.36 -1.51 0.01 0.00 -1.02 0.00 0.00 32.46 30.30 2c9b n ARG 71 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2c9b n ASN 72 N -1.51 0.13 -3.92 0.55 4.05 -1.16 -5.11 115.26 108.28 2c9b n ASN 72 Ca 0.04 -1.69 -0.10 0.00 0.45 0.00 0.00 54.58 53.28 2c9b n ASN 72 Cb 0.21 -0.13 -0.10 0.00 1.23 0.00 0.00 39.78 40.99 2c9b n ASN 72 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2c9b s HIS 73 N -0.13 0.16 -0.22 1.20 3.76 -1.15 -4.93 115.29 113.98 2c9b s HIS 73 Ca 0.01 -0.39 0.19 0.00 -0.15 0.00 0.00 55.06 54.72 2c9b s HIS 73 Cb 0.01 -0.12 0.05 0.00 1.11 0.00 0.00 32.58 33.63 2c9b s HIS 73 CO 0.00 -0.31 1.22 -0.44 -0.85 0.00 0.00 174.74 174.36 2c9b h ASP 74 N 4.00 0.00 -3.98 1.40 3.32 -1.34 -3.45 116.42 116.37 2c9b h ASP 74 Ca -0.32 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.63 2c9b h ASP 74 Cb 1.19 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.51 2c9b h ASP 74 CO 0.46 0.31 -0.15 0.00 -1.72 0.00 0.00 179.24 178.14 2c9b s ALA 75 N -3.09 -1.18 -0.05 3.45 0.00 -1.04 -4.25 121.76 115.59 2c9b s ALA 75 Ca 0.02 1.31 0.05 0.00 0.00 0.00 0.00 51.96 53.34 2c9b s ALA 75 Cb 0.08 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 2c9b s ALA 75 CO 0.76 -0.23 -0.21 0.08 0.00 0.00 0.00 175.76 176.16 2c9b s VAL 76 N 0.15 1.74 -0.17 0.00 1.01 -0.48 -1.93 120.40 120.72 2c9b s VAL 76 Ca -0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 2c9b s VAL 76 Cb -0.03 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2c9b s VAL 76 CO 0.01 0.49 -0.11 -0.69 0.00 0.00 0.00 175.10 174.80 2c9b s VAL 77 N -0.05 3.02 -0.23 2.92 1.01 -0.17 -0.42 120.40 126.48 2c9b s VAL 77 Ca -0.04 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 2c9b s VAL 77 Cb -0.13 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2c9b s VAL 77 CO 0.03 0.49 0.06 0.00 0.00 0.00 0.00 175.10 175.68 2c9b s ALA 78 N 0.93 3.19 0.14 5.51 0.00 -0.61 -0.89 121.76 130.02 2c9b s ALA 78 Ca -0.02 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 50.99 2c9b s ALA 78 Cb -0.15 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 2c9b s ALA 78 CO -0.01 -0.31 -0.21 -0.51 0.00 0.00 0.00 175.76 174.73 2c9b s LEU 79 N 1.29 2.36 0.00 0.00 1.43 -0.51 -0.17 118.68 123.08 2c9b s LEU 79 Ca 0.05 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 2c9b s LEU 79 Cb -0.15 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.16 2c9b s LEU 79 CO 0.03 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.26 2c9b n GLY 80 N 0.71 -0.61 2.90 -3.19 0.00 -1.12 -2.12 105.19 101.76 2c9b n GLY 80 Ca -0.16 -1.21 -0.16 0.00 0.00 0.00 0.00 46.02 44.48 2c9b n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9b s VAL 81 N -2.00 0.31 -0.21 1.61 1.01 -1.26 -1.26 120.40 118.60 2c9b s VAL 81 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2c9b s VAL 81 Cb 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 36.38 36.13 2c9b s VAL 81 CO 0.00 0.13 0.01 -0.69 0.00 0.00 0.00 175.10 174.54 2c9b s VAL 82 N 0.36 0.89 -0.11 2.92 1.01 0.25 -4.88 120.40 120.84 2c9b s VAL 82 Ca -0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 2c9b s VAL 82 Cb -0.07 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2c9b s VAL 82 CO -0.01 -0.19 0.04 -0.63 0.00 0.00 0.00 175.10 174.32 2c9b s ILE 83 N 1.68 4.68 0.03 2.22 1.01 -1.26 -3.10 121.20 126.46 2c9b s ILE 83 Ca -0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 2c9b s ILE 83 Cb -0.18 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 2c9b s ILE 83 CO -0.08 0.58 1.22 -0.60 0.00 0.00 0.00 174.94 176.06 2c9b s ARG 84 N -0.67 4.40 0.00 2.79 3.52 -1.16 -4.90 118.95 122.93 2c9b s ARG 84 Ca 0.11 1.77 0.00 0.00 -0.13 0.00 0.00 55.73 57.48 2c9b s ARG 84 Cb -0.12 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.86 2c9b s ARG 84 CO 0.02 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 2c9b n GLY 85 N 3.28 0.60 0.00 8.12 0.00 -1.26 -4.89 105.19 111.04 2c9b n GLY 85 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2c9b n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c9b n GLN 86 N 0.00 3.01 -4.25 1.61 10.64 -1.26 -5.04 117.38 122.08 2c9b n GLN 86 Ca 0.00 -0.20 -0.23 0.00 -1.83 0.00 0.00 57.00 54.74 2c9b n GLN 86 Cb 0.00 -0.67 -0.07 0.00 -0.86 0.00 0.00 30.24 28.64 2c9b n GLN 86 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2c9b s THR 87 N -0.49 3.66 -2.00 -0.39 -4.23 -1.26 -5.00 115.64 105.93 2c9b s THR 87 Ca 0.00 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 2c9b s THR 87 Cb 0.00 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.90 2c9b s THR 87 CO 0.00 -0.34 0.38 -2.65 -0.54 0.00 0.00 174.62 171.47 2c9b n PRO 88 N -0.84 0.01 -0.29 3.99 -0.02 -1.26 -3.46 135.00 133.13 2c9b n PRO 88 Ca -0.07 0.00 0.24 0.00 -2.02 0.00 0.00 63.50 61.65 2c9b n PRO 88 Cb 0.58 -1.36 0.57 0.00 -0.02 0.00 0.00 33.50 33.27 2c9b n PRO 88 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2c9b h HIS 89 N 0.00 0.47 -0.21 6.00 2.76 -2.00 -2.89 115.15 119.28 2c9b h HIS 89 Ca 0.00 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 2c9b h HIS 89 Cb 0.00 -0.14 -0.07 0.00 1.55 0.00 0.00 27.41 28.75 2c9b h HIS 89 CO 0.00 0.07 -0.45 0.35 -1.30 0.00 0.00 177.93 176.60 2c9b h PHE 90 N 0.30 -1.30 -0.46 5.26 3.57 -1.90 -2.67 116.94 119.75 2c9b h PHE 90 Ca 0.54 0.06 -0.23 0.00 3.53 0.00 0.00 57.97 61.87 2c9b h PHE 90 Cb 1.56 0.60 -0.14 0.00 2.79 0.00 0.00 35.95 40.75 2c9b h PHE 90 CO -0.00 -0.48 0.30 -0.40 -2.23 0.00 0.00 178.31 175.50 2c9b n ASP 91 N -5.43 3.34 -0.02 0.41 5.75 -1.09 -2.99 116.55 116.52 2c9b n ASP 91 Ca -0.04 -2.73 -0.03 0.00 -0.01 0.00 0.00 54.79 51.98 2c9b n ASP 91 Cb 0.36 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 39.77 2c9b n ASP 91 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2c9b n TYR 92 N -0.25 0.00 -0.06 2.11 4.01 -1.01 -4.09 117.16 117.87 2c9b n TYR 92 Ca 0.27 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 58.00 2c9b n TYR 92 Cb 1.04 -0.21 0.24 0.00 -0.31 0.00 0.00 39.34 40.09 2c9b n TYR 92 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2c9b h VAL 93 N 0.00 1.21 -0.03 -0.72 2.07 -1.48 -2.46 116.25 114.85 2c9b h VAL 93 Ca -0.12 -0.83 -0.16 0.00 0.82 0.00 0.00 66.70 66.41 2c9b h VAL 93 Cb 1.24 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2c9b h VAL 93 CO -0.00 0.29 -0.70 0.00 0.02 0.00 0.00 177.57 177.18 2c9b h ASP 95 N 0.10 -0.28 -1.00 0.00 3.32 -1.65 -2.78 116.42 114.13 2c9b h ASP 95 Ca -0.02 -0.09 0.14 0.00 0.02 0.00 0.00 57.03 57.08 2c9b h ASP 95 Cb 1.24 0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.77 2c9b h ASP 95 CO 0.10 -0.08 0.62 0.00 -1.72 0.00 0.00 179.24 178.16 2c9b h ALA 96 N 0.24 1.55 -0.06 3.45 0.00 -1.52 -2.12 119.26 120.80 2c9b h ALA 96 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2c9b h ALA 96 Cb 0.36 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2c9b h ALA 96 CO 0.06 0.13 0.00 0.28 0.00 0.00 0.00 179.25 179.72 2c9b h VAL 97 N 0.91 1.24 0.52 0.00 2.07 -1.50 -1.42 116.25 118.08 2c9b h VAL 97 Ca 0.52 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2c9b h VAL 97 Cb 0.62 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2c9b h VAL 97 CO -0.30 0.20 -0.47 0.74 0.02 0.00 0.00 177.57 177.76 2c9b h THR 98 N -0.18 0.06 -0.64 2.57 2.02 -1.17 -1.81 112.91 113.76 2c9b h THR 98 Ca 0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.27 2c9b h THR 98 Cb 0.32 0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 66.74 2c9b h THR 98 CO 0.00 0.00 0.32 1.56 0.37 0.00 0.00 175.52 177.78 2c9b h GLN 99 N -0.99 0.57 0.76 6.66 4.20 -1.46 -2.31 115.11 122.54 2c9b h GLN 99 Ca -0.06 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 2c9b h GLN 99 Cb 0.85 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.51 2c9b h GLN 99 CO -0.04 0.38 -0.36 0.78 -0.67 0.00 0.00 178.83 178.92 2c9b h GLY 100 N 0.59 -1.06 0.87 3.46 0.00 -1.17 -2.48 103.07 103.28 2c9b h GLY 100 Ca 0.30 0.39 0.03 0.00 0.00 0.00 0.00 47.33 48.06 2c9b h GLY 100 CO -0.22 -0.39 0.47 1.41 0.00 0.00 0.00 176.54 177.81 2c9b h LEU 101 N -1.20 0.78 -0.55 3.11 3.38 -1.34 -1.45 115.31 118.05 2c9b h LEU 101 Ca -0.10 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2c9b h LEU 101 Cb 0.80 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2c9b h LEU 101 CO 0.17 0.54 0.35 0.74 0.09 0.00 0.00 178.44 180.33 2c9b h THR 102 N 0.92 1.10 -0.03 0.22 2.02 -1.48 -2.20 112.91 113.47 2c9b h THR 102 Ca 0.30 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 2c9b h THR 102 Cb 0.01 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2c9b h THR 102 CO -0.11 0.13 0.01 -0.09 0.37 0.00 0.00 175.52 175.83 2c9b h ARG 103 N 0.70 0.04 -1.01 6.66 2.43 -0.99 -3.12 114.38 119.10 2c9b h ARG 103 Ca 0.21 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.46 2c9b h ARG 103 Cb -0.04 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.43 2c9b h ARG 103 CO -0.07 0.16 0.65 0.28 -1.51 0.00 0.00 179.97 179.48 2c9b h VAL 104 N -0.09 1.03 -0.15 0.20 2.07 -1.14 -1.47 116.25 116.70 2c9b h VAL 104 Ca 0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2c9b h VAL 104 Cb 0.14 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.71 2c9b h VAL 104 CO -0.00 0.20 0.05 0.77 0.02 0.00 0.00 177.57 178.61 2c9b h SER 105 N 1.11 0.22 0.70 0.57 4.64 -1.36 -2.79 113.55 116.63 2c9b h SER 105 Ca 0.46 -0.20 -0.20 0.00 -0.47 0.00 0.00 61.79 61.37 2c9b h SER 105 Cb 0.29 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2c9b h SER 105 CO -0.21 0.36 -0.93 -0.07 -0.87 0.00 0.00 176.83 175.12 2c9b h LEU 106 N 0.06 0.19 -0.96 5.97 3.38 -1.45 -1.42 115.31 121.08 2c9b h LEU 106 Ca 0.05 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.89 2c9b h LEU 106 Cb 0.23 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2c9b h LEU 106 CO -0.00 1.01 0.62 0.44 0.09 0.00 0.00 178.44 180.60 2c9b h ASP 107 N 0.07 1.03 -0.02 -0.43 3.45 -1.29 -3.18 116.42 116.05 2c9b h ASP 107 Ca -0.04 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.41 2c9b h ASP 107 Cb 1.59 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 40.13 2c9b h ASP 107 CO 0.14 0.70 -0.10 -1.54 -1.57 0.00 0.00 179.24 176.86 2c9b n SER 108 N -4.49 2.18 -3.93 6.45 3.41 -1.06 -4.98 113.62 111.20 2c9b n SER 108 Ca 0.13 -1.59 -0.26 0.00 -0.26 0.00 0.00 58.87 56.89 2c9b n SER 108 Cb 0.11 0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.19 2c9b n SER 108 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2c9b n SER 109 N 0.63 -0.88 -3.88 4.04 7.64 -0.63 -4.99 113.62 115.55 2c9b n SER 109 Ca 0.09 -0.96 -0.18 0.00 1.01 0.00 0.00 58.87 58.83 2c9b n SER 109 Cb 0.40 -3.24 -0.16 0.00 -1.01 0.00 0.00 64.21 60.20 2c9b n SER 109 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2c9b s THR 110 N -3.83 0.37 -0.02 0.44 2.01 -0.66 -5.05 115.64 108.90 2c9b s THR 110 Ca 0.09 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 2c9b s THR 110 Cb -0.05 -0.40 -0.07 0.00 0.01 0.00 0.00 72.50 71.99 2c9b s THR 110 CO 0.88 0.17 1.86 -2.84 -0.69 0.00 0.00 174.62 173.99 2c9b s PRO 111 N 0.67 4.09 -0.35 4.92 0.02 -1.26 -4.38 135.00 138.70 2c9b s PRO 111 Ca -0.08 2.39 -0.07 0.00 0.02 0.00 0.00 61.00 63.27 2c9b s PRO 111 Cb -0.11 -4.11 0.05 0.00 0.02 0.00 0.00 34.50 30.35 2c9b s PRO 111 CO -0.01 -0.99 0.13 0.42 -0.33 0.00 0.00 177.00 176.22 2c9b s ILE 112 N 4.55 3.81 0.18 2.83 -1.09 -1.26 -1.38 121.20 128.84 2c9b s ILE 112 Ca 0.83 -1.23 -0.30 0.00 -2.23 0.00 0.00 60.65 57.72 2c9b s ILE 112 Cb -0.38 -3.21 -0.08 0.00 -1.58 0.00 0.00 42.46 37.21 2c9b s ILE 112 CO 0.36 -0.26 0.99 0.00 -1.23 0.00 0.00 174.94 174.80 2c9b s ALA 113 N 1.39 3.31 -0.50 9.38 0.00 0.44 -4.95 121.76 130.82 2c9b s ALA 113 Ca -0.00 0.65 -0.18 0.00 0.00 0.00 0.00 51.96 52.43 2c9b s ALA 113 Cb -0.20 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.71 2c9b s ALA 113 CO 0.02 0.02 0.55 1.21 0.00 0.00 0.00 175.76 177.56 2c9b s ASN 114 N -0.51 6.20 -0.34 0.00 3.04 -1.26 -1.58 114.94 120.49 2c9b s ASN 114 Ca 0.45 -1.06 0.07 0.00 0.04 0.00 0.00 52.86 52.36 2c9b s ASN 114 Cb -0.26 -2.26 0.45 0.00 -1.54 0.00 0.00 41.25 37.64 2c9b s ASN 114 CO 0.32 -0.82 1.15 0.61 -3.04 0.00 0.00 177.10 175.33 2c9b n GLY 115 N 5.18 5.99 3.56 1.21 0.00 0.76 -4.87 105.19 117.02 2c9b n GLY 115 Ca -0.09 -2.61 -0.37 0.00 0.00 0.00 0.00 46.02 42.95 2c9b n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9b s VAL 116 N -4.86 5.02 -0.07 1.61 1.01 -1.25 -2.80 120.40 119.05 2c9b s VAL 116 Ca 0.49 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 2c9b s VAL 116 Cb 0.40 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2c9b s VAL 116 CO -0.04 0.29 0.98 -0.76 0.00 0.00 0.00 175.10 175.57 2c9b s LEU 117 N 1.61 4.29 -0.69 3.92 1.02 -0.39 -4.94 118.68 123.51 2c9b s LEU 117 Ca 0.07 1.55 0.05 0.00 0.02 0.00 0.00 54.13 55.82 2c9b s LEU 117 Cb -0.15 -3.53 0.19 0.00 0.02 0.00 0.00 46.19 42.72 2c9b s LEU 117 CO 0.08 -0.37 0.57 0.35 0.02 0.00 0.00 176.35 177.00 2c9b n THR 118 N 4.32 1.84 -4.24 5.49 -2.24 -1.26 -0.58 114.28 117.61 2c9b n THR 118 Ca 0.07 -4.97 -0.23 0.00 -2.27 0.00 0.00 64.05 56.65 2c9b n THR 118 Cb 0.50 -2.16 -0.07 0.00 -2.10 0.00 0.00 70.33 66.50 2c9b n THR 118 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2c9b s THR 119 N -1.77 3.33 -0.00 4.28 -4.23 -1.18 -5.05 115.64 111.01 2c9b s THR 119 Ca 0.29 -1.83 -0.21 0.00 -1.18 0.00 0.00 61.69 58.76 2c9b s THR 119 Cb 0.02 -2.91 -0.22 0.00 1.34 0.00 0.00 72.50 70.73 2c9b s THR 119 CO -0.12 -0.31 1.11 0.78 -0.54 0.00 0.00 174.62 175.54 2c9b h ASN 120 N 1.77 0.44 -2.05 3.99 4.21 -1.94 -3.07 115.58 118.92 2c9b h ASN 120 Ca -0.44 -0.73 -0.61 0.00 1.21 0.00 0.00 56.30 55.73 2c9b h ASN 120 Cb 1.25 -0.13 -0.14 0.00 -1.12 0.00 0.00 38.32 38.18 2c9b h ASN 120 CO 0.62 1.11 -0.71 0.42 -1.29 0.00 0.00 177.43 177.57 2c9b s THR 121 N -3.33 2.36 0.29 2.81 -4.23 -1.26 -3.94 115.64 108.35 2c9b s THR 121 Ca -0.14 -2.29 -0.01 0.00 -1.18 0.00 0.00 61.69 58.07 2c9b s THR 121 Cb 0.03 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.57 2c9b s THR 121 CO 0.79 -0.29 1.89 -0.33 -0.54 0.00 0.00 174.62 176.15 2c9b h GLU 122 N 2.12 0.92 -0.96 3.99 5.08 -1.96 -2.98 114.58 120.80 2c9b h GLU 122 Ca -0.41 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 2c9b h GLU 122 Cb 1.25 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 2c9b h GLU 122 CO 0.66 0.72 0.63 0.93 -1.00 0.00 0.00 179.01 180.95 2c9b h GLU 123 N 0.92 1.25 0.00 2.33 3.07 -1.99 -2.40 114.58 117.75 2c9b h GLU 123 Ca 0.22 -0.08 -0.08 0.00 -0.50 0.00 0.00 59.36 58.93 2c9b h GLU 123 Cb 0.11 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 2c9b h GLU 123 CO -0.03 0.83 -0.36 1.96 -1.40 0.00 0.00 179.01 180.01 2c9b h GLN 124 N 1.29 0.00 -0.15 2.33 4.20 -1.95 -1.86 115.11 118.97 2c9b h GLN 124 Ca 0.35 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.86 2c9b h GLN 124 Cb -0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2c9b h GLN 124 CO -0.08 0.36 -0.72 0.00 -0.67 0.00 0.00 178.83 177.72 2c9b h ALA 125 N 1.64 0.45 -0.09 3.87 0.00 -1.44 -3.16 119.26 120.54 2c9b h ALA 125 Ca -0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 2c9b h ALA 125 Cb 0.65 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2c9b h ALA 125 CO 0.05 0.71 -0.33 -0.07 0.00 0.00 0.00 179.25 179.60 2c9b h LEU 126 N 0.46 0.17 -0.35 0.00 3.38 -1.13 -2.82 115.31 115.03 2c9b h LEU 126 Ca -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2c9b h LEU 126 Cb 1.32 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2c9b h LEU 126 CO 0.14 0.50 0.00 -0.78 0.09 0.00 0.00 178.44 178.39 2c9b h ASP 127 N 0.15 0.00 0.00 -0.43 3.58 -1.34 -3.17 116.42 115.21 2c9b h ASP 127 Ca 0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 2c9b h ASP 127 Cb 0.67 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 2c9b h ASP 127 CO 0.05 0.00 -0.04 0.54 -2.88 0.00 0.00 179.24 176.91 2c9b n ARG 128 N -2.32 1.24 -0.07 0.28 1.74 -1.09 -2.02 116.66 114.42 2c9b n ARG 128 Ca 0.04 -2.54 -0.05 0.00 -0.77 0.00 0.00 57.85 54.53 2c9b n ARG 128 Cb 0.34 -1.46 -0.16 0.00 -1.02 0.00 0.00 32.46 30.17 2c9b n ARG 128 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c9b n ALA 129 N -1.36 1.82 -0.55 7.54 0.00 -1.08 -2.32 120.51 124.55 2c9b n ALA 129 Ca 0.15 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.49 2c9b n ALA 129 Cb 0.65 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2c9b n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c9b n GLY 130 N 1.62 0.73 3.97 0.00 0.00 -1.09 -3.90 105.19 106.53 2c9b n GLY 130 Ca -0.25 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 2c9b n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9b s LEU 131 N -0.37 2.95 0.16 0.99 1.43 -1.26 -4.95 118.68 117.64 2c9b s LEU 131 Ca 0.00 -0.12 -0.23 0.00 -1.03 0.00 0.00 54.13 52.75 2c9b s LEU 131 Cb 0.00 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.97 2c9b s LEU 131 CO 0.00 -1.87 1.37 -2.65 0.23 0.00 0.00 176.35 173.43 2c9b n PRO 132 N -2.92 -0.33 -3.07 1.29 -0.01 -1.26 -2.76 135.00 125.94 2c9b n PRO 132 Ca 0.13 1.35 -0.31 0.00 -0.01 0.00 0.00 63.50 64.66 2c9b n PRO 132 Cb 0.60 -1.99 -0.04 0.00 -0.01 0.00 0.00 33.50 32.07 2c9b n PRO 132 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 2c9b n THR 133 N -5.18 3.60 -4.67 3.45 -2.24 -1.26 -5.03 114.28 102.95 2c9b n THR 133 Ca 0.04 -5.57 -0.27 0.00 -2.27 0.00 0.00 64.05 55.98 2c9b n THR 133 Cb 0.27 -1.76 -0.14 0.00 -2.10 0.00 0.00 70.33 66.61 2c9b n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2c9b s SER 134 N -2.60 2.76 0.15 3.42 0.01 -1.11 -4.94 113.70 111.39 2c9b s SER 134 Ca 0.42 -0.58 -0.13 0.00 1.31 0.00 0.00 55.95 56.98 2c9b s SER 134 Cb 0.19 -0.23 0.03 0.00 0.21 0.00 0.00 66.02 66.22 2c9b s SER 134 CO -0.06 0.18 1.64 0.00 0.41 0.00 0.00 173.24 175.41 2c9b h ALA 135 N 4.69 0.67 -2.90 1.44 0.00 -1.75 -3.46 119.26 117.96 2c9b h ALA 135 Ca -0.45 -0.23 -0.27 0.00 0.00 0.00 0.00 54.91 53.96 2c9b h ALA 135 Cb 1.16 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2c9b h ALA 135 CO 0.43 0.40 -0.23 -1.83 0.00 0.00 0.00 179.25 178.02 2c9b s GLU 136 N -5.21 1.84 -0.21 0.00 -1.05 -1.08 -5.07 118.70 107.90 2c9b s GLU 136 Ca -0.13 -1.73 -0.02 0.00 -0.15 0.00 0.00 54.97 52.94 2c9b s GLU 136 Cb 0.12 0.43 0.07 0.00 -0.44 0.00 0.00 34.13 34.30 2c9b s GLU 136 CO 0.80 -0.75 0.03 0.34 0.95 0.00 0.00 175.26 176.64 2c9b s ASP 137 N -3.23 3.18 0.32 0.83 -1.08 -1.26 -2.67 116.67 112.76 2c9b s ASP 137 Ca 0.31 -0.97 0.13 0.00 -0.52 0.00 0.00 52.55 51.49 2c9b s ASP 137 Cb 0.00 -0.70 0.54 0.00 -1.46 0.00 0.00 42.92 41.30 2c9b s ASP 137 CO 0.20 -0.31 1.71 0.11 0.52 0.00 0.00 175.17 177.39 2c9b h LYS 138 N 8.19 0.00 -0.51 4.34 6.56 -1.70 -2.94 116.57 130.50 2c9b h LYS 138 Ca -0.16 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.35 2c9b h LYS 138 Cb 1.10 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.74 2c9b h LYS 138 CO 0.36 0.50 -0.01 0.78 -2.06 0.00 0.00 179.45 179.02 2c9b h GLY 139 N 1.62 0.94 0.89 3.86 0.00 -1.82 -0.57 103.07 107.99 2c9b h GLY 139 Ca -0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 47.33 46.49 2c9b h GLY 139 CO 0.06 0.61 -0.68 0.00 0.00 0.00 0.00 176.54 176.53 2c9b h ALA 140 N 1.17 0.10 -0.16 3.60 0.00 -1.69 -3.08 119.26 119.20 2c9b h ALA 140 Ca 0.15 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.52 2c9b h ALA 140 Cb 0.50 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2c9b h ALA 140 CO 0.02 0.43 -0.10 1.96 0.00 0.00 0.00 179.25 181.56 2c9b h GLN 141 N 0.03 -0.09 -0.95 0.00 4.20 -1.38 -1.39 115.11 115.53 2c9b h GLN 141 Ca -0.08 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2c9b h GLN 141 Cb 1.37 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 29.13 2c9b h GLN 141 CO 0.13 -0.06 0.59 0.00 -0.67 0.00 0.00 178.83 178.82 2c9b h ALA 142 N 1.03 1.21 -0.35 3.87 0.00 -1.20 -1.72 119.26 122.10 2c9b h ALA 142 Ca 0.10 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2c9b h ALA 142 Cb 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2c9b h ALA 142 CO -0.22 0.65 -0.13 1.15 0.00 0.00 0.00 179.25 180.69 2c9b h THR 143 N 1.30 1.28 -0.92 0.00 2.02 -1.40 -2.22 112.91 112.97 2c9b h THR 143 Ca 0.34 -1.23 0.08 0.00 0.77 0.00 0.00 66.41 66.37 2c9b h THR 143 Cb -0.08 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 2c9b h THR 143 CO -0.07 0.40 0.57 0.58 0.37 0.00 0.00 175.52 177.38 2c9b h VAL 144 N 0.49 1.00 -0.58 3.16 2.07 -1.01 -2.13 116.25 119.26 2c9b h VAL 144 Ca 0.08 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2c9b h VAL 144 Cb 0.66 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2c9b h VAL 144 CO 0.04 0.18 0.28 0.00 0.02 0.00 0.00 177.57 178.10 2c9b h ALA 145 N 1.46 0.74 0.18 1.67 0.00 -1.14 -2.78 119.26 119.39 2c9b h ALA 145 Ca 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2c9b h ALA 145 Cb 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2c9b h ALA 145 CO -0.21 0.30 -0.09 0.00 0.00 0.00 0.00 179.25 179.26 2c9b h ALA 146 N 1.12 -0.25 -0.91 0.00 0.00 -0.79 -2.48 119.26 115.94 2c9b h ALA 146 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2c9b h ALA 146 Cb 0.11 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2c9b h ALA 146 CO -0.03 -0.51 0.51 -0.07 0.00 0.00 0.00 179.25 179.16 2c9b h LEU 147 N -0.50 1.13 -0.32 0.00 3.38 -1.47 -2.09 115.31 115.44 2c9b h LEU 147 Ca -0.03 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2c9b h LEU 147 Cb 0.38 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2c9b h LEU 147 CO 0.04 0.89 -0.09 0.00 0.09 0.00 0.00 178.44 179.37 2c9b h ALA 148 N 1.29 0.44 -0.21 1.53 0.00 -1.49 -1.84 119.26 118.99 2c9b h ALA 148 Ca 0.32 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2c9b h ALA 148 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2c9b h ALA 148 CO -0.05 0.29 -0.14 1.15 0.00 0.00 0.00 179.25 180.49 2c9b h THR 149 N 0.40 1.21 -0.38 0.00 2.02 -1.33 -0.97 112.91 113.87 2c9b h THR 149 Ca 0.08 -0.93 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 2c9b h THR 149 Cb 0.59 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2c9b h THR 149 CO 0.03 0.29 -0.01 0.00 0.37 0.00 0.00 175.52 176.20 2c9b h ALA 150 N 1.54 0.51 -0.10 6.16 0.00 -1.21 -2.19 119.26 123.97 2c9b h ALA 150 Ca 0.06 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2c9b h ALA 150 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2c9b h ALA 150 CO 0.03 0.30 -0.41 -0.07 0.00 0.00 0.00 179.25 179.09 2c9b h LEU 151 N 0.50 0.24 -0.22 0.00 3.38 -0.99 -1.64 115.31 116.58 2c9b h LEU 151 Ca 0.11 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2c9b h LEU 151 Cb 0.49 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2c9b h LEU 151 CO 0.02 0.63 -0.09 0.74 0.09 0.00 0.00 178.44 179.83 2c9b h THR 152 N 0.19 1.30 -0.61 0.22 2.02 -1.14 -2.66 112.91 112.23 2c9b h THR 152 Ca 0.02 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.01 2c9b h THR 152 Cb 0.81 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 2c9b h THR 152 CO 0.06 0.35 0.19 -0.07 0.37 0.00 0.00 175.52 176.42 2c9b h LEU 153 N 0.16 0.85 -0.70 2.58 3.38 -1.30 -1.92 115.31 118.38 2c9b h LEU 153 Ca 0.05 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2c9b h LEU 153 Cb 0.57 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2c9b h LEU 153 CO 0.03 0.80 0.37 -0.09 0.09 0.00 0.00 178.44 179.64 2c9b h ARG 154 N 0.89 0.63 -0.20 1.13 9.65 -1.25 -0.52 114.38 124.72 2c9b h ARG 154 Ca 0.20 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.00 2c9b h ARG 154 Cb 0.26 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 2c9b h ARG 154 CO -0.01 0.42 -0.03 0.93 2.80 0.00 0.00 179.97 184.08 2c9b h GLU 155 N 0.65 0.38 -0.22 0.20 4.39 -1.13 -3.29 114.58 115.55 2c9b h GLU 155 Ca 0.33 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.81 2c9b h GLU 155 Cb 0.28 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2c9b h GLU 155 CO -0.23 0.61 -0.24 -0.07 -1.16 0.00 0.00 179.01 177.92 2c9b h LEU 156 N 0.11 0.41-10.72 1.33 3.38 -0.96 -3.46 115.31 105.40 2c9b h LEU 156 Ca 0.05 -0.13 -0.44 0.00 0.09 0.00 0.00 57.88 57.45 2c9b h LEU 156 Cb 0.46 -0.11 0.17 0.00 0.09 0.00 0.00 40.66 41.26 2c9b h LEU 156 CO 0.02 0.66 0.36 -0.13 0.09 0.00 0.00 178.44 179.43 2c9b s ARG 157 N -4.50 0.20 -0.19 1.13 0.52 -0.24 -4.96 118.95 110.91 2c9b s ARG 157 Ca -0.06 -0.33 -0.29 0.00 -0.52 0.00 0.00 55.73 54.53 2c9b s ARG 157 Cb 0.14 -1.79 -0.03 0.00 0.52 0.00 0.00 34.95 33.79 2c9b s ARG 157 CO 0.78 -2.72 1.65 0.00 0.02 0.00 0.00 175.30 175.03 2c9b s ALA 158 N -3.68 3.31 0.28 2.13 0.00 -1.26 -4.99 121.76 117.55 2c9b s ALA 158 Ca 0.73 0.57 -0.04 0.00 0.00 0.00 0.00 51.96 53.22 2c9b s ALA 158 Cb -0.05 -3.84 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 2c9b s ALA 158 CO 0.54 -1.88 0.37 -3.38 0.00 0.00 0.00 175.76 171.40 2c9b s HIS 159 N 5.12 0.97 -2.00 0.00 -3.43 -1.26 -5.14 115.29 109.55 2c9b s HIS 159 Ca 0.73 -1.20 0.05 0.00 -0.80 0.00 0.00 55.06 53.84 2c9b s HIS 159 Cb -0.27 -0.20 0.30 0.00 -1.43 0.00 0.00 32.58 30.98 2c9b s HIS 159 CO 0.29 -0.94 0.77 0.43 -2.00 0.00 0.00 174.74 173.29