#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9b h SER 16 N 0.00 0.37 -0.55 0.00 0.02 -1.85 -3.35 113.55 108.20 2c9b h SER 16 Ca 0.00 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2c9b h SER 16 Cb 0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2c9b h SER 16 CO 0.00 1.17 0.00 0.61 -1.14 0.00 0.00 176.83 177.47 2c9b n GLY 17 N 1.10 1.60 3.74 -3.77 0.00 -1.26 -4.82 105.19 101.77 2c9b n GLY 17 Ca -0.06 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.27 5.21 -0.28 1.61 0.11 -1.26 -5.05 120.40 119.47 2c9b s VAL 18 Ca 0.38 0.81 -0.24 0.00 -2.93 0.00 0.00 61.98 60.00 2c9b s VAL 18 Cb 0.20 -3.75 -0.00 0.00 -1.53 0.00 0.00 36.38 31.30 2c9b s VAL 18 CO 0.26 0.37 0.82 -0.13 -3.33 0.00 0.00 175.10 173.10 2c9b s ARG 19 N 0.38 4.07 -0.04 1.54 0.52 -1.26 -4.98 118.95 119.17 2c9b s ARG 19 Ca 0.23 0.77 0.05 0.00 -0.52 0.00 0.00 55.73 56.26 2c9b s ARG 19 Cb -0.15 -3.69 -0.02 0.00 0.52 0.00 0.00 34.95 31.61 2c9b s ARG 19 CO 0.09 -0.62 -0.18 -1.17 0.02 0.00 0.00 175.30 173.43 2c9b s LEU 20 N 2.95 2.51 0.03 2.53 2.96 -1.26 -0.62 118.68 127.78 2c9b s LEU 20 Ca 0.34 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 2c9b s LEU 20 Cb -0.14 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 2c9b s LEU 20 CO 0.10 0.34 -0.16 0.00 -1.32 0.00 0.00 176.35 175.31 2c9b s ALA 21 N -0.68 1.34 -0.06 5.97 0.00 -0.29 -2.39 121.76 125.66 2c9b s ALA 21 Ca 0.11 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.24 2c9b s ALA 21 Cb -0.10 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2c9b s ALA 21 CO 0.00 0.28 -0.12 0.42 0.00 0.00 0.00 175.76 176.35 2c9b s ILE 22 N -0.74 1.09 -0.10 0.00 1.01 0.17 -0.60 121.20 122.04 2c9b s ILE 22 Ca 0.04 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.23 2c9b s ILE 22 Cb -0.08 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.42 2c9b s ILE 22 CO 0.01 0.34 -0.11 0.54 0.00 0.00 0.00 174.94 175.72 2c9b s VAL 23 N 0.58 1.20 -0.04 2.92 0.11 -0.24 -0.30 120.40 124.63 2c9b s VAL 23 Ca -0.13 -0.44 0.03 0.00 -2.93 0.00 0.00 61.98 58.51 2c9b s VAL 23 Cb -0.15 -1.14 0.00 0.00 -1.53 0.00 0.00 36.38 33.56 2c9b s VAL 23 CO 0.03 0.39 -0.11 0.00 -3.33 0.00 0.00 175.10 172.07 2c9b s ALA 24 N 1.25 1.10 0.86 1.54 0.00 -0.57 -0.90 121.76 125.05 2c9b s ALA 24 Ca -0.03 -0.42 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 2c9b s ALA 24 Cb -0.14 -0.43 0.11 0.00 0.00 0.00 0.00 23.12 22.67 2c9b s ALA 24 CO -0.04 0.16 1.19 -1.54 0.00 0.00 0.00 175.76 175.53 2c9b s SER 25 N 0.30 4.00 -0.00 0.00 1.04 -0.50 -1.87 113.70 116.67 2c9b s SER 25 Ca -0.06 0.74 0.03 0.00 0.48 0.00 0.00 55.95 57.13 2c9b s SER 25 Cb -0.11 -1.17 -0.03 0.00 0.10 0.00 0.00 66.02 64.80 2c9b s SER 25 CO 0.02 -2.22 0.09 -1.20 0.98 0.00 0.00 173.24 170.91 2c9b n SER 26 N -3.51 1.45 -4.67 7.02 7.64 -0.26 -4.82 113.62 116.47 2c9b n SER 26 Ca 0.09 -0.39 -0.42 0.00 1.01 0.00 0.00 58.87 59.16 2c9b n SER 26 Cb 0.60 1.04 -0.03 0.00 -1.01 0.00 0.00 64.21 64.81 2c9b n SER 26 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2c9b s TRP 27 N -1.54 1.59 -0.30 1.43 -0.11 -0.73 -2.91 118.94 116.37 2c9b s TRP 27 Ca 0.00 -0.29 -0.10 0.00 1.22 0.00 0.00 56.10 56.94 2c9b s TRP 27 Cb 0.02 -4.21 0.01 0.00 -1.50 0.00 0.00 33.47 27.79 2c9b s TRP 27 CO 0.11 -5.26 0.40 0.72 -4.62 0.00 0.00 176.95 168.30 2c9b n HIS 28 N 6.92 -2.28 -0.03 5.86 8.25 -1.26 -4.60 115.22 128.08 2c9b n HIS 28 Ca 0.19 0.91 -0.10 0.00 -0.26 0.00 0.00 57.72 58.47 2c9b n HIS 28 Cb 0.40 -3.21 -0.03 0.00 1.12 0.00 0.00 29.99 28.27 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 1.24 0.24 0.69 -1.41 0.00 -1.91 -3.06 103.07 98.84 2c9b h GLY 29 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.32 2c9b h GLY 29 CO 0.14 0.06 0.30 1.70 0.00 0.00 0.00 176.54 178.73 2c9b h LYS 30 N 0.19 0.55 -0.29 4.80 3.64 -1.94 -2.14 116.57 121.39 2c9b h LYS 30 Ca 0.07 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 2c9b h LYS 30 Cb 0.01 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2c9b h LYS 30 CO -0.05 0.36 -0.24 0.82 -2.27 0.00 0.00 179.45 178.07 2c9b h ILE 31 N 0.57 1.30 -0.85 2.00 2.04 -1.94 -3.04 117.51 117.58 2c9b h ILE 31 Ca 0.26 -1.39 0.02 0.00 1.00 0.00 0.00 64.86 64.75 2c9b h ILE 31 Cb 0.17 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 2c9b h ILE 31 CO -0.18 0.45 0.56 0.00 0.00 0.00 0.00 178.15 178.98 2c9b h ASP 33 N 1.11 0.26 -0.32 0.00 3.45 -1.38 -1.15 116.42 118.39 2c9b h ASP 33 Ca 0.33 -0.08 -0.16 0.00 0.43 0.00 0.00 57.03 57.55 2c9b h ASP 33 Cb -0.06 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.64 2c9b h ASP 33 CO -0.08 0.54 -0.41 0.00 -1.57 0.00 0.00 179.24 177.72 2c9b h ALA 34 N 1.48 0.48 -0.46 3.45 0.00 -1.23 -2.28 119.26 120.70 2c9b h ALA 34 Ca 0.03 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 2c9b h ALA 34 Cb 0.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2c9b h ALA 34 CO 0.05 0.60 -0.14 -0.07 0.00 0.00 0.00 179.25 179.68 2c9b h LEU 35 N 0.63 0.88 -0.95 0.00 3.38 -0.97 -2.66 115.31 115.62 2c9b h LEU 35 Ca 0.04 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 2c9b h LEU 35 Cb 1.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2c9b h LEU 35 CO 0.10 1.02 -0.49 0.25 0.09 0.00 0.00 178.44 179.40 2c9b h LEU 36 N 0.78 0.08 -0.45 1.67 5.85 -1.24 -2.91 115.31 119.08 2c9b h LEU 36 Ca 0.12 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2c9b h LEU 36 Cb 0.67 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2c9b h LEU 36 CO 0.05 0.56 -0.07 -0.78 -0.34 0.00 0.00 178.44 177.86 2c9b h ASP 37 N 0.06 0.84 -0.57 1.25 -0.00 -1.11 -1.61 116.42 115.28 2c9b h ASP 37 Ca -0.00 -0.34 -0.08 0.00 -0.00 0.00 0.00 57.03 56.60 2c9b h ASP 37 Cb 0.90 -0.23 -0.02 0.00 -0.00 0.00 0.00 39.33 39.98 2c9b h ASP 37 CO 0.07 0.99 0.02 1.23 -0.00 0.00 0.00 179.24 181.55 2c9b h GLY 38 N 0.68 1.06 0.99 -0.78 0.00 -1.48 -2.41 103.07 101.13 2c9b h GLY 38 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2c9b h GLY 38 CO 0.04 0.70 0.09 0.00 0.00 0.00 0.00 176.54 177.37 2c9b h ALA 39 N 0.98 0.17 -0.80 3.60 0.00 -1.42 -2.24 119.26 119.54 2c9b h ALA 39 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2c9b h ALA 39 Cb 0.51 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2c9b h ALA 39 CO 0.02 -0.34 0.39 0.00 0.00 0.00 0.00 179.25 179.33 2c9b h ARG 40 N 0.17 1.15 -0.33 0.00 3.08 -1.27 -2.66 114.38 114.52 2c9b h ARG 40 Ca 0.05 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 2c9b h ARG 40 Cb -0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 2c9b h ARG 40 CO -0.01 0.89 -0.17 0.87 -1.07 0.00 0.00 179.97 180.48 2c9b h LYS 41 N 1.13 0.59 -0.53 0.04 1.57 -1.30 -2.51 116.57 115.57 2c9b h LYS 41 Ca 0.28 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 2c9b h LYS 41 Cb 0.11 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2c9b h LYS 41 CO -0.04 0.73 -0.10 0.28 -0.57 0.00 0.00 179.45 179.76 2c9b h VAL 42 N 0.53 1.27 -0.18 0.50 2.07 -1.24 -2.86 116.25 116.34 2c9b h VAL 42 Ca 0.09 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 2c9b h VAL 42 Cb 0.59 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2c9b h VAL 42 CO 0.04 0.44 0.02 0.00 0.02 0.00 0.00 177.57 178.08 2c9b h ALA 43 N 1.00 0.24 -0.31 1.67 0.00 -1.26 -2.46 119.26 118.14 2c9b h ALA 43 Ca 0.14 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2c9b h ALA 43 Cb 0.65 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2c9b h ALA 43 CO 0.04 -0.07 -0.15 0.00 0.00 0.00 0.00 179.25 179.08 2c9b h ALA 44 N 0.80 1.17 0.00 0.00 0.00 -1.33 -0.11 119.26 119.80 2c9b h ALA 44 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2c9b h ALA 44 Cb 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2c9b h ALA 44 CO 0.01 0.53 0.00 0.78 0.00 0.00 0.00 179.25 180.56 2c9b h GLY 45 N 0.95 0.00 -3.17 0.00 0.00 -1.49 -3.01 103.07 96.36 2c9b h GLY 45 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2c9b h GLY 45 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 2c9b n GLY 47 N 1.11 0.69 3.24 0.00 0.00 -1.07 -4.09 105.19 105.07 2c9b n GLY 47 Ca 0.26 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 5.03 0.75 0.99 1.43 -0.12 -4.72 118.68 122.04 2c9b s LEU 48 Ca 0.00 -1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 51.45 2c9b s LEU 48 Cb 0.00 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.32 2c9b s LEU 48 CO 0.00 -0.51 1.08 -1.81 0.23 0.00 0.00 176.35 175.35 2c9b s ASP 49 N 1.98 4.89 0.00 2.29 1.11 -1.26 -2.92 116.67 122.76 2c9b s ASP 49 Ca 0.03 1.41 0.00 0.00 0.18 0.00 0.00 52.55 54.17 2c9b s ASP 49 Cb -0.23 -2.21 0.00 0.00 1.07 0.00 0.00 42.92 41.55 2c9b s ASP 49 CO 0.01 -1.73 0.00 0.47 1.18 0.00 0.00 175.17 175.10 2c9b n ASP 50 N -3.29 0.00 -4.64 0.27 8.00 -1.26 -4.98 116.55 110.65 2c9b n ASP 50 Ca 0.07 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.29 2c9b n ASP 50 Cb 0.55 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.83 2c9b n ASP 50 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2c9b s PRO 51 N 0.00 0.29 -0.41 -0.24 0.04 -1.26 -5.01 135.00 128.42 2c9b s PRO 51 Ca 0.00 0.44 -0.27 0.00 0.04 0.00 0.00 61.00 61.21 2c9b s PRO 51 Cb 0.00 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.83 2c9b s PRO 51 CO 0.00 -2.81 0.99 0.99 0.04 0.00 0.00 177.00 176.22 2c9b s THR 52 N -2.99 4.47 -0.21 1.26 2.01 -1.01 -4.94 115.64 114.23 2c9b s THR 52 Ca 0.66 1.18 -0.04 0.00 0.31 0.00 0.00 61.69 63.80 2c9b s THR 52 Cb -0.18 -4.43 -0.01 0.00 0.01 0.00 0.00 72.50 67.89 2c9b s THR 52 CO 0.57 -0.70 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.08 2c9b s VAL 53 N 3.78 3.52 -0.07 3.82 1.01 -1.26 0.43 120.40 131.63 2c9b s VAL 53 Ca 0.41 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.99 2c9b s VAL 53 Cb -0.10 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 2c9b s VAL 53 CO 0.23 0.43 -0.25 -0.69 0.00 0.00 0.00 175.10 174.82 2c9b s VAL 54 N 1.29 2.07 -0.06 2.92 1.01 0.59 -4.99 120.40 123.23 2c9b s VAL 54 Ca 0.04 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 2c9b s VAL 54 Cb -0.14 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2c9b s VAL 54 CO -0.01 0.57 0.11 -0.13 0.00 0.00 0.00 175.10 175.64 2c9b s ARG 55 N 0.02 3.27 0.28 2.72 1.81 -1.26 -1.51 118.95 124.28 2c9b s ARG 55 Ca -0.09 -0.32 0.03 0.00 -1.72 0.00 0.00 55.73 53.63 2c9b s ARG 55 Cb -0.15 -3.02 -0.06 0.00 -0.45 0.00 0.00 34.95 31.27 2c9b s ARG 55 CO 0.06 0.71 0.05 0.14 -0.68 0.00 0.00 175.30 175.57 2c9b s VAL 56 N -1.12 1.00 -0.08 3.52 -7.23 -0.78 -4.95 120.40 110.76 2c9b s VAL 56 Ca 0.20 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.26 2c9b s VAL 56 Cb -0.12 -2.63 -0.07 0.00 0.56 0.00 0.00 36.38 34.12 2c9b s VAL 56 CO 0.10 -0.09 0.36 0.25 -0.31 0.00 0.00 175.10 175.41 2c9b h LEU 57 N 2.28 -0.15 -9.72 1.32 5.85 -1.93 -0.67 115.31 112.29 2c9b h LEU 57 Ca -0.39 -0.14 -0.62 0.00 0.84 0.00 0.00 57.88 57.57 2c9b h LEU 57 Cb 1.24 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 42.18 2c9b h LEU 57 CO 0.66 0.39 -0.56 -0.83 -0.34 0.00 0.00 178.44 177.76 2c9b s GLY 58 N -3.41 2.66 0.38 3.75 0.00 -1.26 -1.76 107.32 107.68 2c9b s GLY 58 Ca -0.06 -1.44 0.17 0.00 0.00 0.00 0.00 44.72 43.40 2c9b s GLY 58 CO 0.19 -2.07 1.79 0.00 0.00 0.00 0.00 173.10 173.01 2c9b h ALA 59 N 1.66 1.12 0.00 3.20 0.00 -1.94 -3.08 119.26 120.23 2c9b h ALA 59 Ca -0.43 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.09 2c9b h ALA 59 Cb 1.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2c9b h ALA 59 CO 0.74 0.46 -0.26 0.82 0.00 0.00 0.00 179.25 181.02 2c9b h ILE 60 N 0.00 0.62 -0.00 0.00 2.04 -1.97 -2.98 117.51 115.22 2c9b h ILE 60 Ca -0.00 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.64 2c9b h ILE 60 Cb 0.79 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2c9b h ILE 60 CO 0.05 0.25 -0.15 -0.62 0.00 0.00 0.00 178.15 177.68 2c9b n GLU 61 N -3.42 0.52 0.24 2.37 4.71 -1.16 -4.30 120.64 119.60 2c9b n GLU 61 Ca 0.00 -0.18 -0.15 0.00 -0.01 0.00 0.00 57.16 56.82 2c9b n GLU 61 Cb 0.45 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.30 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 0.44 0.57 -0.14 -3.67 2.04 -1.63 -3.30 117.51 111.83 2c9b h ILE 62 Ca 0.00 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2c9b h ILE 62 Cb 0.40 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2c9b h ILE 62 CO 0.00 0.04 0.09 1.55 0.00 0.00 0.00 178.15 179.83 2c9b h PRO 63 N -0.69 0.14 0.00 2.37 0.13 -1.79 -1.33 132.00 130.83 2c9b h PRO 63 Ca -0.06 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.97 2c9b h PRO 63 Cb 0.50 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2c9b h PRO 63 CO 0.10 0.09 -0.42 -0.24 -0.23 0.00 0.00 178.00 177.29 2c9b h VAL 64 N 0.14 0.98 0.04 1.56 3.04 -1.85 -2.38 116.25 117.79 2c9b h VAL 64 Ca 0.05 -1.65 -0.25 0.00 -1.01 0.00 0.00 66.70 63.84 2c9b h VAL 64 Cb 0.04 1.99 -0.02 0.00 -2.01 0.00 0.00 31.29 31.29 2c9b h VAL 64 CO -0.01 0.42 -1.27 0.58 -1.01 0.00 0.00 177.57 176.28 2c9b h VAL 65 N 0.00 1.42 0.00 1.51 2.07 -1.35 -3.28 116.25 116.62 2c9b h VAL 65 Ca -0.00 -3.12 -0.09 0.00 0.82 0.00 0.00 66.70 64.30 2c9b h VAL 65 Cb 0.95 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 2c9b h VAL 65 CO 0.06 0.85 -0.45 0.00 0.02 0.00 0.00 177.57 178.04 2c9b h ALA 66 N 0.83 1.18 -0.46 1.67 0.00 -1.26 -2.29 119.26 118.94 2c9b h ALA 66 Ca -0.12 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 2c9b h ALA 66 Cb 1.89 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 2c9b h ALA 66 CO 0.14 0.56 -0.05 0.37 0.00 0.00 0.00 179.25 180.27 2c9b h GLN 67 N 0.00 0.80 -0.20 0.00 4.15 -1.50 -1.85 115.11 116.51 2c9b h GLN 67 Ca -0.00 -0.24 -0.14 0.00 0.77 0.00 0.00 58.65 59.03 2c9b h GLN 67 Cb 0.83 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.45 2c9b h GLN 67 CO 0.06 0.84 -0.44 1.49 -1.93 0.00 0.00 178.83 178.85 2c9b h GLU 68 N 0.73 0.64 0.00 1.69 4.57 -1.58 -3.29 114.58 117.34 2c9b h GLU 68 Ca 0.13 -0.43 -0.04 0.00 -1.18 0.00 0.00 59.36 57.84 2c9b h GLU 68 Cb 0.52 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 2c9b h GLU 68 CO 0.03 1.05 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.64 2c9b h LEU 69 N 0.32 0.00 0.00 1.64 3.38 -1.26 -3.02 115.31 116.37 2c9b h LEU 69 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2c9b h LEU 69 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2c9b h LEU 69 CO 0.10 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.82 2c9b n ALA 70 N -2.30 2.34 1.49 1.53 0.00 -0.71 -2.83 120.51 120.03 2c9b n ALA 70 Ca -0.01 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.44 2c9b n ALA 70 Cb 0.33 -1.44 0.56 0.00 0.00 0.00 0.00 19.45 18.90 2c9b n ALA 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2c9b n ARG 71 N -1.29 1.22 0.00 0.00 1.74 -1.14 -4.20 116.66 112.98 2c9b n ARG 71 Ca 0.12 -0.60 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 2c9b n ARG 71 Cb 0.22 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 -0.37 0.08 -4.44 0.55 5.15 -1.16 -5.12 115.26 109.96 2c9b n ASN 72 Ca 0.17 -0.09 -0.22 0.00 -0.60 0.00 0.00 54.58 53.84 2c9b n ASN 72 Cb 0.31 0.20 -0.10 0.00 -0.53 0.00 0.00 39.78 39.66 2c9b n ASN 72 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2c9b s HIS 73 N -0.22 2.03 -0.16 1.20 3.76 -1.13 -5.00 115.29 115.77 2c9b s HIS 73 Ca 0.00 -0.59 0.18 0.00 -0.15 0.00 0.00 55.06 54.50 2c9b s HIS 73 Cb 0.00 -1.08 -0.07 0.00 1.11 0.00 0.00 32.58 32.54 2c9b s HIS 73 CO 0.00 0.41 0.98 -0.44 -0.85 0.00 0.00 174.74 174.84 2c9b h ASP 74 N 2.29 0.00 -4.56 1.40 3.32 -1.21 -3.46 116.42 114.20 2c9b h ASP 74 Ca -0.40 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.54 2c9b h ASP 74 Cb 1.24 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.57 2c9b h ASP 74 CO 0.66 0.44 -0.22 0.00 -1.72 0.00 0.00 179.24 178.39 2c9b s ALA 75 N -3.02 -0.95 -0.05 3.45 0.00 -0.92 -4.32 121.76 115.95 2c9b s ALA 75 Ca -0.01 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.71 2c9b s ALA 75 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2c9b s ALA 75 CO 0.79 -0.24 -0.15 0.08 0.00 0.00 0.00 175.76 176.24 2c9b s VAL 76 N -0.72 1.31 -0.24 0.00 1.01 -0.79 -1.14 120.40 119.83 2c9b s VAL 76 Ca -0.08 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 2c9b s VAL 76 Cb -0.04 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2c9b s VAL 76 CO 0.03 0.38 -0.05 -0.69 0.00 0.00 0.00 175.10 174.78 2c9b s VAL 77 N 0.17 3.08 -0.23 2.92 1.01 0.23 -1.06 120.40 126.53 2c9b s VAL 77 Ca -0.06 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 2c9b s VAL 77 Cb -0.12 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2c9b s VAL 77 CO 0.02 0.28 0.15 0.00 0.00 0.00 0.00 175.10 175.55 2c9b s ALA 78 N 1.39 3.62 -0.04 5.51 0.00 -0.50 -1.08 121.76 130.66 2c9b s ALA 78 Ca 0.03 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.21 2c9b s ALA 78 Cb -0.16 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 2c9b s ALA 78 CO -0.04 -0.07 -0.19 -0.51 0.00 0.00 0.00 175.76 174.94 2c9b s LEU 79 N 0.82 1.97 0.20 0.00 1.43 -0.08 0.02 118.68 123.03 2c9b s LEU 79 Ca 0.07 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.56 2c9b s LEU 79 Cb -0.13 -1.07 0.07 0.00 0.03 0.00 0.00 46.19 45.09 2c9b s LEU 79 CO 0.02 0.19 1.00 -0.83 0.23 0.00 0.00 176.35 176.96 2c9b s GLY 80 N -0.07 0.05 -0.07 -3.19 0.00 -1.08 -1.41 107.32 101.55 2c9b s GLY 80 Ca -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 44.72 44.41 2c9b s GLY 80 CO 0.02 1.56 0.14 0.14 0.00 0.00 0.00 173.10 174.97 2c9b s VAL 81 N -2.45 -0.13 -0.17 1.40 1.01 -1.26 -0.13 120.40 118.66 2c9b s VAL 81 Ca 0.19 0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.42 2c9b s VAL 81 Cb -0.02 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 36.15 2c9b s VAL 81 CO 0.05 0.11 -0.05 -0.69 0.00 0.00 0.00 175.10 174.51 2c9b s VAL 82 N 1.62 1.16 -0.07 2.92 1.01 0.14 -4.87 120.40 122.32 2c9b s VAL 82 Ca -0.04 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 2c9b s VAL 82 Cb -0.12 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2c9b s VAL 82 CO -0.06 0.11 0.03 -0.63 0.00 0.00 0.00 175.10 174.55 2c9b s ILE 83 N 1.60 4.51 0.18 2.22 1.01 -1.26 -2.09 121.20 127.36 2c9b s ILE 83 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 2c9b s ILE 83 Cb -0.16 -2.95 -0.08 0.00 0.01 0.00 0.00 42.46 39.29 2c9b s ILE 83 CO -0.08 0.54 1.27 -0.60 0.00 0.00 0.00 174.94 176.08 2c9b s ARG 84 N -1.12 4.42 0.00 2.79 3.52 -0.86 -4.88 118.95 122.81 2c9b s ARG 84 Ca 0.16 1.98 0.00 0.00 -0.13 0.00 0.00 55.73 57.74 2c9b s ARG 84 Cb -0.12 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 2c9b s ARG 84 CO 0.05 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 174.73 2c9b n GLY 85 N 2.47 2.05 0.23 8.12 0.00 -1.26 -4.88 105.19 111.92 2c9b n GLY 85 Ca 0.06 -1.31 0.04 0.00 0.00 0.00 0.00 46.02 44.81 2c9b n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2c9b n GLN 86 N 0.00 1.13 -4.30 1.61 6.02 -1.26 -5.00 117.38 115.58 2c9b n GLN 86 Ca 0.00 -0.73 -0.23 0.00 -0.01 0.00 0.00 57.00 56.03 2c9b n GLN 86 Cb 0.00 -1.07 -0.08 0.00 1.02 0.00 0.00 30.24 30.12 2c9b n GLN 86 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2c9b s THR 87 N -0.85 3.22 -1.63 5.09 -4.23 -1.26 -5.01 115.64 110.98 2c9b s THR 87 Ca 0.07 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2c9b s THR 87 Cb 0.06 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.10 2c9b s THR 87 CO 0.13 -0.34 0.27 -2.65 -0.54 0.00 0.00 174.62 171.49 2c9b n PRO 88 N -0.90 0.33 0.11 3.99 -0.02 -1.26 -3.78 135.00 133.46 2c9b n PRO 88 Ca -0.06 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.48 2c9b n PRO 88 Cb 0.60 -1.06 0.52 0.00 -0.02 0.00 0.00 33.50 33.54 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 0.25 0.29 -0.39 6.00 2.76 -1.98 -2.79 115.15 119.29 2c9b h HIS 89 Ca 0.00 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.25 2c9b h HIS 89 Cb 0.06 -0.10 -0.07 0.00 1.55 0.00 0.00 27.41 28.86 2c9b h HIS 89 CO 0.00 0.18 -0.03 0.35 -1.30 0.00 0.00 177.93 177.13 2c9b h PHE 90 N 0.31 -0.07 -0.67 5.26 3.57 -1.90 -2.88 116.94 120.56 2c9b h PHE 90 Ca 0.09 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.68 2c9b h PHE 90 Cb -0.01 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 2c9b h PHE 90 CO -0.00 -0.10 0.37 -0.44 -2.23 0.00 0.00 178.31 175.90 2c9b h ASP 91 N 0.07 0.54 1.07 0.41 3.32 -1.82 -2.95 116.42 117.06 2c9b h ASP 91 Ca 0.19 0.03 -0.19 0.00 0.02 0.00 0.00 57.03 57.08 2c9b h ASP 91 Cb 0.28 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2c9b h ASP 91 CO -0.35 0.35 -0.92 1.88 -1.72 0.00 0.00 179.24 178.48 2c9b h TYR 92 N 0.68 0.00 -0.32 4.55 0.05 -1.64 -2.01 116.97 118.27 2c9b h TYR 92 Ca 0.30 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.98 2c9b h TYR 92 Cb 0.20 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 2c9b h TYR 92 CO -0.08 0.92 -0.22 0.28 -1.05 0.00 0.00 178.16 178.01 2c9b h VAL 93 N 0.00 1.27 0.02 -2.88 2.07 -1.42 -2.90 116.25 112.42 2c9b h VAL 93 Ca -0.01 -1.27 -0.22 0.00 0.82 0.00 0.00 66.70 66.02 2c9b h VAL 93 Cb 1.71 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 2c9b h VAL 93 CO 0.12 0.41 -1.03 0.00 0.02 0.00 0.00 177.57 177.09 2c9b h ASP 95 N 0.02 1.00 0.15 0.00 3.32 -1.30 -2.32 116.42 117.29 2c9b h ASP 95 Ca -0.03 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 2c9b h ASP 95 Cb 1.78 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 41.07 2c9b h ASP 95 CO 0.14 0.99 -0.07 0.00 -1.72 0.00 0.00 179.24 178.58 2c9b h ALA 96 N 1.05 -0.20 -0.82 3.45 0.00 -1.59 -1.72 119.26 119.43 2c9b h ALA 96 Ca 0.20 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2c9b h ALA 96 Cb 0.39 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2c9b h ALA 96 CO 0.01 -0.58 0.48 0.28 0.00 0.00 0.00 179.25 179.44 2c9b h VAL 97 N -0.26 0.98 0.32 0.00 2.07 -1.55 0.31 116.25 118.11 2c9b h VAL 97 Ca -0.02 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2c9b h VAL 97 Cb 0.20 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2c9b h VAL 97 CO 0.03 0.16 -0.18 0.74 0.02 0.00 0.00 177.57 178.34 2c9b h THR 98 N 0.86 0.63 -0.03 2.57 2.02 -1.29 -2.03 112.91 115.64 2c9b h THR 98 Ca 0.37 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.55 2c9b h THR 98 Cb 0.25 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2c9b h THR 98 CO -0.20 0.00 0.02 1.56 0.37 0.00 0.00 175.52 177.26 2c9b h GLN 99 N -0.46 0.05 0.27 6.66 4.20 -0.88 -2.98 115.11 121.96 2c9b h GLN 99 Ca -0.04 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2c9b h GLN 99 Cb 0.38 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2c9b h GLN 99 CO 0.05 0.15 -0.23 0.78 -0.67 0.00 0.00 178.83 178.91 2c9b h GLY 100 N -0.07 -0.54 1.32 3.46 0.00 -0.39 -1.95 103.07 104.90 2c9b h GLY 100 Ca 0.01 0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.50 2c9b h GLY 100 CO -0.00 -0.22 -0.12 1.41 0.00 0.00 0.00 176.54 177.60 2c9b h LEU 101 N -0.52 0.80 -1.00 3.11 3.38 -1.45 -1.32 115.31 118.31 2c9b h LEU 101 Ca -0.01 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2c9b h LEU 101 Cb 0.47 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2c9b h LEU 101 CO -0.03 0.94 0.11 0.74 0.09 0.00 0.00 178.44 180.29 2c9b h THR 102 N 0.72 1.23 0.00 0.22 2.02 -1.50 -1.62 112.91 113.99 2c9b h THR 102 Ca 0.12 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.36 2c9b h THR 102 Cb 0.62 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2c9b h THR 102 CO 0.04 0.32 -0.41 -0.09 0.37 0.00 0.00 175.52 175.75 2c9b h ARG 103 N 0.80 0.00 0.13 6.66 2.43 -0.86 -3.08 114.38 120.46 2c9b h ARG 103 Ca 0.17 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.04 2c9b h ARG 103 Cb 0.33 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2c9b h ARG 103 CO 0.00 0.41 -1.26 0.28 -1.51 0.00 0.00 179.97 177.89 2c9b h VAL 104 N 0.00 1.30 -0.54 0.20 2.07 -1.01 -2.90 116.25 115.38 2c9b h VAL 104 Ca -0.00 -2.53 0.03 0.00 0.82 0.00 0.00 66.70 65.02 2c9b h VAL 104 Cb 1.16 2.73 -0.04 0.00 -1.52 0.00 0.00 31.29 33.62 2c9b h VAL 104 CO 0.05 0.76 0.31 0.77 0.02 0.00 0.00 177.57 179.49 2c9b h SER 105 N 0.25 0.50 1.05 0.57 4.64 -1.31 -2.85 113.55 116.40 2c9b h SER 105 Ca -0.19 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 60.99 2c9b h SER 105 Cb 1.93 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.90 2c9b h SER 105 CO 0.24 0.35 -1.01 -0.07 -0.87 0.00 0.00 176.83 175.46 2c9b h LEU 106 N 0.62 0.00 -0.97 5.97 3.38 -1.65 -1.52 115.31 121.14 2c9b h LEU 106 Ca 0.22 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2c9b h LEU 106 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2c9b h LEU 106 CO -0.11 0.60 0.11 0.44 0.09 0.00 0.00 178.44 179.57 2c9b h ASP 107 N 0.00 0.81 -0.01 -0.43 3.45 -1.47 -3.32 116.42 115.46 2c9b h ASP 107 Ca -0.09 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.22 2c9b h ASP 107 Cb 1.54 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 2c9b h ASP 107 CO 0.06 0.81 -0.26 -1.54 -1.57 0.00 0.00 179.24 176.74 2c9b n SER 108 N -4.26 1.11 -3.54 6.45 3.41 -1.08 -5.02 113.62 110.70 2c9b n SER 108 Ca 0.04 -1.06 -0.23 0.00 -0.26 0.00 0.00 58.87 57.36 2c9b n SER 108 Cb 0.24 0.56 0.05 0.00 -0.26 0.00 0.00 64.21 64.80 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 -0.41 -4.34 -3.81 4.04 7.64 -0.61 -5.02 113.62 111.11 2c9b n SER 109 Ca 0.04 -0.85 -0.13 0.00 1.01 0.00 0.00 58.87 58.94 2c9b n SER 109 Cb 0.21 -4.23 -0.14 0.00 -1.01 0.00 0.00 64.21 59.05 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 -3.50 -0.02 -0.02 0.44 2.01 -0.99 -5.07 115.64 108.49 2c9b s THR 110 Ca 0.31 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.08 2c9b s THR 110 Cb -0.08 -0.15 -0.06 0.00 0.01 0.00 0.00 72.50 72.22 2c9b s THR 110 CO 0.80 0.03 1.57 -2.84 -0.69 0.00 0.00 174.62 173.49 2c9b s PRO 111 N 0.47 4.21 -0.33 4.92 0.02 -1.26 -4.45 135.00 138.58 2c9b s PRO 111 Ca -0.03 2.13 -0.05 0.00 0.02 0.00 0.00 61.00 63.06 2c9b s PRO 111 Cb -0.05 -3.79 0.04 0.00 0.02 0.00 0.00 34.50 30.72 2c9b s PRO 111 CO -0.02 -0.75 0.08 0.42 -0.33 0.00 0.00 177.00 176.40 2c9b s ILE 112 N 3.32 3.61 -0.07 2.83 -1.09 -1.26 -1.89 121.20 126.65 2c9b s ILE 112 Ca 0.70 -1.20 -0.27 0.00 -2.23 0.00 0.00 60.65 57.66 2c9b s ILE 112 Cb -0.33 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 2c9b s ILE 112 CO 0.28 -0.17 0.87 0.00 -1.23 0.00 0.00 174.94 174.70 2c9b s ALA 113 N 1.37 3.33 -0.54 9.38 0.00 -0.22 -4.97 121.76 130.10 2c9b s ALA 113 Ca -0.02 0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.00 2c9b s ALA 113 Cb -0.20 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.75 2c9b s ALA 113 CO 0.02 -0.35 0.84 1.21 0.00 0.00 0.00 175.76 177.48 2c9b s ASN 114 N 0.99 6.29 -0.37 0.00 2.47 -1.26 -1.42 114.94 121.64 2c9b s ASN 114 Ca 0.44 -0.58 0.06 0.00 0.42 0.00 0.00 52.86 53.19 2c9b s ASN 114 Cb -0.19 -2.39 0.48 0.00 -1.45 0.00 0.00 41.25 37.70 2c9b s ASN 114 CO 0.20 -1.14 1.48 0.61 -3.72 0.00 0.00 177.10 174.54 2c9b n GLY 115 N 5.15 5.70 3.59 1.21 0.00 0.10 -4.92 105.19 116.02 2c9b n GLY 115 Ca -0.01 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 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 -4.11 5.17 0.11 1.61 1.01 -1.24 -2.64 120.40 120.31 2c9b s VAL 116 Ca 0.51 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 2c9b s VAL 116 Cb 0.43 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.02 2c9b s VAL 116 CO 0.01 0.09 0.91 -0.76 0.00 0.00 0.00 175.10 175.36 2c9b s LEU 117 N 2.07 4.51 -0.27 3.92 1.43 0.81 -4.89 118.68 126.26 2c9b s LEU 117 Ca 0.14 1.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.99 2c9b s LEU 117 Cb -0.16 -3.51 0.08 0.00 0.03 0.00 0.00 46.19 42.63 2c9b s LEU 117 CO 0.11 -0.02 0.00 0.42 0.23 0.00 0.00 176.35 177.09 2c9b s THR 118 N -0.19 1.45 0.31 5.49 -4.23 -1.26 0.26 115.64 117.48 2c9b s THR 118 Ca 0.44 -1.42 0.06 0.00 -1.18 0.00 0.00 61.69 59.59 2c9b s THR 118 Cb -0.23 -1.88 -0.06 0.00 1.34 0.00 0.00 72.50 71.67 2c9b s THR 118 CO 0.29 -0.33 -0.02 0.42 -0.54 0.00 0.00 174.62 174.44 2c9b s THR 119 N 1.39 1.56 -0.19 3.99 -4.23 -0.89 -5.03 115.64 112.24 2c9b s THR 119 Ca 0.01 -2.08 -0.18 0.00 -1.18 0.00 0.00 61.69 58.27 2c9b s THR 119 Cb -0.18 -2.61 -0.14 0.00 1.34 0.00 0.00 72.50 70.90 2c9b s THR 119 CO -0.11 -0.18 0.10 0.78 -0.54 0.00 0.00 174.62 174.67 2c9b h ASN 120 N 2.17 0.00 -1.95 3.99 2.35 -1.93 -2.30 115.58 117.91 2c9b h ASN 120 Ca -0.41 -0.35 -0.52 0.00 -0.55 0.00 0.00 56.30 54.47 2c9b h ASN 120 Cb 1.24 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.55 2c9b h ASN 120 CO 0.69 1.25 -0.51 0.42 -1.65 0.00 0.00 177.43 177.63 2c9b s THR 121 N -2.31 3.52 -0.56 2.81 -4.23 -1.26 -3.82 115.64 109.79 2c9b s THR 121 Ca -0.24 -1.53 0.25 0.00 -1.18 0.00 0.00 61.69 58.99 2c9b s THR 121 Cb 0.04 -3.12 0.31 0.00 1.34 0.00 0.00 72.50 71.08 2c9b s THR 121 CO 0.47 -0.23 1.71 1.05 -0.54 0.00 0.00 174.62 177.08 2c9b h GLU 122 N 1.45 0.00 -0.18 3.99 4.11 -1.96 -3.09 114.58 118.90 2c9b h GLU 122 Ca -0.45 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.86 2c9b h GLU 122 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2c9b h GLU 122 CO 0.60 0.00 -0.40 1.49 0.07 0.00 0.00 179.01 180.77 2c9b h GLU 123 N 0.00 0.41 -0.65 1.06 4.81 -1.99 -2.21 114.58 116.01 2c9b h GLU 123 Ca 0.00 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 58.95 2c9b h GLU 123 Cb 0.83 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 2c9b h GLU 123 CO 0.00 0.75 0.10 1.96 -0.73 0.00 0.00 179.01 181.09 2c9b h GLN 124 N 0.34 1.08 -0.11 1.92 4.20 -1.97 -1.84 115.11 118.73 2c9b h GLN 124 Ca 0.03 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.37 2c9b h GLN 124 Cb 0.86 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 2c9b h GLN 124 CO 0.07 1.00 -0.27 0.00 -0.67 0.00 0.00 178.83 178.96 2c9b h ALA 125 N 1.04 1.33 -0.05 3.87 0.00 -1.56 -2.65 119.26 121.24 2c9b h ALA 125 Ca 0.20 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2c9b h ALA 125 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2c9b h ALA 125 CO 0.01 0.46 -0.71 -0.07 0.00 0.00 0.00 179.25 178.94 2c9b h LEU 126 N 0.19 0.29 -0.20 0.00 3.38 -1.16 -3.25 115.31 114.56 2c9b h LEU 126 Ca 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2c9b h LEU 126 Cb 0.59 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2c9b h LEU 126 CO 0.04 0.91 0.00 -0.67 0.09 0.00 0.00 178.44 178.81 2c9b n ASP 127 N -3.79 0.52 -0.27 -0.43 -0.08 -0.71 -3.35 116.55 108.43 2c9b n ASP 127 Ca -0.03 0.58 0.06 0.00 -1.51 0.00 0.00 54.79 53.89 2c9b n ASP 127 Cb 0.69 -0.71 0.12 0.00 2.34 0.00 0.00 41.12 43.56 2c9b n ASP 127 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2c9b n ARG 128 N -2.02 2.31 -0.02 -0.67 1.74 -1.13 -2.00 116.66 114.87 2c9b n ARG 128 Ca 0.05 -2.22 0.06 0.00 -0.77 0.00 0.00 57.85 54.97 2c9b n ARG 128 Cb 0.32 -1.37 -0.14 0.00 -1.02 0.00 0.00 32.46 30.25 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 -0.72 2.47 -0.36 7.54 0.00 -1.14 -2.16 120.51 126.15 2c9b n ALA 129 Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2c9b n ALA 129 Cb 0.53 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 1.57 1.60 3.87 0.00 0.00 -0.54 -3.90 105.19 107.78 2c9b n GLY 130 Ca -0.08 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.03 3.18 0.14 0.99 1.43 -1.26 -4.90 118.68 118.24 2c9b s LEU 131 Ca 0.00 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 2c9b s LEU 131 Cb 0.00 -4.41 0.34 0.00 0.03 0.00 0.00 46.19 42.15 2c9b s LEU 131 CO 0.00 -0.97 0.73 -2.65 0.23 0.00 0.00 176.35 173.69 2c9b n PRO 132 N -2.81 -0.04 -0.37 1.29 -0.02 -1.26 -0.10 135.00 131.69 2c9b n PRO 132 Ca 0.06 0.70 0.08 0.00 -2.02 0.00 0.00 63.50 62.32 2c9b n PRO 132 Cb 0.54 -1.11 0.23 0.00 -0.02 0.00 0.00 33.50 33.15 2c9b n PRO 132 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2c9b n THR 133 N -4.54 2.03 -1.52 3.45 -2.24 -1.26 -5.02 114.28 105.18 2c9b n THR 133 Ca 0.11 -1.75 -0.31 0.00 -2.27 0.00 0.00 64.05 59.83 2c9b n THR 133 Cb 0.35 -0.12 0.06 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.83 5.15 0.00 3.42 0.01 0.86 -4.98 113.70 116.33 2c9b s SER 134 Ca 0.38 1.62 0.22 0.00 1.31 0.00 0.00 55.95 59.48 2c9b s SER 134 Cb 0.30 -2.46 -0.01 0.00 0.21 0.00 0.00 66.02 64.05 2c9b s SER 134 CO 0.09 -1.59 1.07 0.00 0.41 0.00 0.00 173.24 173.22 2c9b n ALA 135 N -3.22 3.88 -3.48 1.44 0.00 -0.85 -4.90 120.51 113.38 2c9b n ALA 135 Ca 0.08 -0.61 -0.14 0.00 0.00 0.00 0.00 53.44 52.77 2c9b n ALA 135 Cb 0.54 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 2c9b n ALA 135 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2c9b s GLU 136 N -2.64 1.08 -0.34 0.00 2.12 -0.92 -5.04 118.70 112.96 2c9b s GLU 136 Ca 0.16 -0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.38 2c9b s GLU 136 Cb 0.18 0.50 0.12 0.00 0.26 0.00 0.00 34.13 35.19 2c9b s GLU 136 CO 0.66 -0.41 0.18 0.34 -0.54 0.00 0.00 175.26 175.49 2c9b s ASP 137 N -1.93 3.34 0.32 -1.70 -1.08 -1.26 -1.47 116.67 112.89 2c9b s ASP 137 Ca -0.04 -1.92 0.26 0.00 -0.52 0.00 0.00 52.55 50.33 2c9b s ASP 137 Cb -0.01 -0.51 0.95 0.00 -1.46 0.00 0.00 42.92 41.89 2c9b s ASP 137 CO -0.02 -0.35 1.77 0.11 0.52 0.00 0.00 175.17 177.20 2c9b h LYS 138 N 7.50 0.00 -0.46 4.34 1.57 -1.72 -2.40 116.57 125.40 2c9b h LYS 138 Ca -0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 2c9b h LYS 138 Cb 0.98 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 2c9b h LYS 138 CO 0.36 0.00 -0.09 0.78 -0.57 0.00 0.00 179.45 179.93 2c9b h GLY 139 N 2.96 0.90 1.30 3.86 0.00 -1.81 -1.44 103.07 108.83 2c9b h GLY 139 Ca 0.00 -0.67 -0.21 0.00 0.00 0.00 0.00 47.33 46.45 2c9b h GLY 139 CO 0.00 0.62 -0.75 0.00 0.00 0.00 0.00 176.54 176.41 2c9b h ALA 140 N 1.14 0.40 -0.65 3.60 0.00 -1.65 -3.17 119.26 118.93 2c9b h ALA 140 Ca 0.13 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2c9b h ALA 140 Cb 0.58 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2c9b h ALA 140 CO 0.04 0.71 0.39 1.96 0.00 0.00 0.00 179.25 182.34 2c9b h GLN 141 N 0.47 0.89 -0.78 0.00 4.20 -1.42 -2.95 115.11 115.53 2c9b h GLN 141 Ca -0.04 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 2c9b h GLN 141 Cb 1.36 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.92 2c9b h GLN 141 CO 0.15 0.64 0.40 0.00 -0.67 0.00 0.00 178.83 179.35 2c9b h ALA 142 N 1.20 1.00 -0.35 3.87 0.00 -1.29 -1.62 119.26 122.07 2c9b h ALA 142 Ca 0.23 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2c9b h ALA 142 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2c9b h ALA 142 CO -0.04 0.54 -0.16 1.15 0.00 0.00 0.00 179.25 180.73 2c9b h THR 143 N 1.09 1.29 -0.79 0.00 2.02 -1.52 -1.51 112.91 113.49 2c9b h THR 143 Ca 0.27 -1.27 0.04 0.00 0.77 0.00 0.00 66.41 66.22 2c9b h THR 143 Cb 0.07 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 2c9b h THR 143 CO -0.04 0.42 0.52 0.58 0.37 0.00 0.00 175.52 177.36 2c9b h VAL 144 N 0.50 1.10 -0.40 3.16 2.07 -1.38 -0.97 116.25 120.32 2c9b h VAL 144 Ca 0.08 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2c9b h VAL 144 Cb 0.70 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2c9b h VAL 144 CO 0.05 0.17 0.13 0.00 0.02 0.00 0.00 177.57 177.94 2c9b h ALA 145 N 1.55 0.53 -0.17 1.67 0.00 -0.86 -2.20 119.26 119.78 2c9b h ALA 145 Ca 0.32 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2c9b h ALA 145 Cb 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2c9b h ALA 145 CO -0.10 0.17 -0.08 0.00 0.00 0.00 0.00 179.25 179.24 2c9b h ALA 146 N 0.98 0.24 -0.48 0.00 0.00 -0.87 -3.01 119.26 116.11 2c9b h ALA 146 Ca 0.13 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2c9b h ALA 146 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2c9b h ALA 146 CO -0.01 0.04 -0.11 -0.07 0.00 0.00 0.00 179.25 179.10 2c9b h LEU 147 N 0.03 0.94 -0.67 0.00 3.38 -1.20 -1.69 115.31 116.10 2c9b h LEU 147 Ca 0.04 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 2c9b h LEU 147 Cb 0.55 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2c9b h LEU 147 CO 0.02 1.08 0.27 0.00 0.09 0.00 0.00 178.44 179.90 2c9b h ALA 148 N 0.89 0.87 -0.54 1.53 0.00 -1.50 -2.46 119.26 118.05 2c9b h ALA 148 Ca 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2c9b h ALA 148 Cb 0.67 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2c9b h ALA 148 CO 0.05 0.49 0.16 1.15 0.00 0.00 0.00 179.25 181.10 2c9b h THR 149 N 0.95 1.24 -0.49 0.00 2.02 -1.38 -1.91 112.91 113.34 2c9b h THR 149 Ca 0.22 -0.81 0.03 0.00 0.77 0.00 0.00 66.41 66.62 2c9b h THR 149 Cb 0.21 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2c9b h THR 149 CO -0.02 0.30 0.28 0.00 0.37 0.00 0.00 175.52 176.45 2c9b h ALA 150 N 1.03 0.63 -0.26 6.16 0.00 -1.19 -1.09 119.26 124.54 2c9b h ALA 150 Ca 0.17 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2c9b h ALA 150 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2c9b h ALA 150 CO -0.00 -0.04 -0.04 -0.07 0.00 0.00 0.00 179.25 179.10 2c9b h LEU 151 N 0.55 0.38 -0.23 0.00 3.38 -1.29 -2.12 115.31 115.99 2c9b h LEU 151 Ca 0.20 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2c9b h LEU 151 Cb 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2c9b h LEU 151 CO -0.11 0.47 -0.10 0.74 0.09 0.00 0.00 178.44 179.53 2c9b h THR 152 N 0.39 1.30 -0.51 0.22 2.02 -0.77 -2.70 112.91 112.86 2c9b h THR 152 Ca 0.08 -1.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.06 2c9b h THR 152 Cb 0.32 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 2c9b h THR 152 CO 0.01 0.36 0.19 -0.07 0.37 0.00 0.00 175.52 176.38 2c9b h LEU 153 N 0.18 0.67 -0.81 2.58 3.38 -1.07 -1.77 115.31 118.48 2c9b h LEU 153 Ca 0.05 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2c9b h LEU 153 Cb 0.60 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2c9b h LEU 153 CO 0.03 0.62 0.19 -0.09 0.09 0.00 0.00 178.44 179.28 2c9b h ARG 154 N 0.73 1.09 -0.43 1.13 2.43 -1.31 -2.00 114.38 116.01 2c9b h ARG 154 Ca 0.17 -0.24 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 2c9b h ARG 154 Cb 0.17 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2c9b h ARG 154 CO -0.01 0.94 -0.26 0.93 -1.51 0.00 0.00 179.97 180.05 2c9b h GLU 155 N 1.04 0.92 0.00 0.20 4.39 -1.12 -3.18 114.58 116.82 2c9b h GLU 155 Ca 0.22 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2c9b h GLU 155 Cb 0.33 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2c9b h GLU 155 CO -0.00 1.07 0.00 1.28 -1.16 0.00 0.00 179.01 180.20 2c9b n LEU 156 N -4.09 0.37 0.00 1.33 4.77 -0.70 -4.88 117.00 113.79 2c9b n LEU 156 Ca -0.00 0.55 -0.19 0.00 -0.03 0.00 0.00 56.01 56.33 2c9b n LEU 156 Cb 0.48 -0.45 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 2c9b n LEU 156 CO 0.47 -0.16 0.37 0.54 -1.33 0.00 0.00 177.39 177.28 2c9b n ARG 157 N -1.86 0.53 -2.10 3.23 1.74 -0.77 -5.04 116.66 112.39 2c9b n ARG 157 Ca 0.05 -2.90 -0.42 0.00 -0.77 0.00 0.00 57.85 53.81 2c9b n ARG 157 Cb 0.34 -0.28 -0.03 0.00 -1.02 0.00 0.00 32.46 31.47 2c9b n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c9b s ALA 158 N -2.73 3.58 0.14 7.54 0.00 -1.26 -4.99 121.76 124.05 2c9b s ALA 158 Ca 0.58 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 53.11 2c9b s ALA 158 Cb -0.04 -3.73 0.06 0.00 0.00 0.00 0.00 23.12 19.41 2c9b s ALA 158 CO 0.37 -1.42 0.56 -3.38 0.00 0.00 0.00 175.76 171.90 2c9b s HIS 159 N 4.08 -0.48 0.00 0.00 -3.43 -1.26 -5.12 115.29 109.08 2c9b s HIS 159 Ca 0.69 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 55.23 2c9b s HIS 159 Cb -0.30 0.49 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 2c9b s HIS 159 CO 0.26 -0.81 0.00 0.45 -2.00 0.00 0.00 174.74 172.65