#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 0.00 -0.12 0.00 4.64 -1.80 -3.20 113.55 113.06 2c9b h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c9b h SER 16 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2c9b h SER 16 CO 0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 2c9b n GLY 17 N -0.38 -0.18 3.85 -0.77 0.00 -1.26 -4.88 105.19 101.58 2c9b n GLY 17 Ca -0.01 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.84 5.06 -0.28 1.61 0.11 -1.21 -5.07 120.40 118.77 2c9b s VAL 18 Ca 0.27 0.62 -0.10 0.00 -2.93 0.00 0.00 61.98 59.84 2c9b s VAL 18 Cb 0.14 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.29 2c9b s VAL 18 CO 0.22 0.40 0.16 -0.13 -3.33 0.00 0.00 175.10 172.41 2c9b s ARG 19 N -1.59 3.72 -0.09 1.54 0.52 -1.26 -5.04 118.95 116.75 2c9b s ARG 19 Ca 0.30 -0.46 0.04 0.00 -0.52 0.00 0.00 55.73 55.08 2c9b s ARG 19 Cb -0.15 -3.57 -0.00 0.00 0.52 0.00 0.00 34.95 31.75 2c9b s ARG 19 CO 0.16 -0.25 -0.23 -1.17 0.02 0.00 0.00 175.30 173.83 2c9b s LEU 20 N 1.69 2.13 -0.01 2.53 2.96 -1.26 -2.19 118.68 124.52 2c9b s LEU 20 Ca 0.06 -0.53 0.06 0.00 -0.22 0.00 0.00 54.13 53.50 2c9b s LEU 20 Cb -0.16 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 2c9b s LEU 20 CO 0.08 0.18 -0.19 0.00 -1.32 0.00 0.00 176.35 175.10 2c9b s ALA 21 N 0.24 1.61 -0.08 5.97 0.00 -0.75 -1.47 121.76 127.27 2c9b s ALA 21 Ca -0.15 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2c9b s ALA 21 Cb -0.17 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2c9b s ALA 21 CO 0.08 0.40 -0.14 0.96 0.00 0.00 0.00 175.76 177.05 2c9b s ILE 22 N -0.45 1.30 -0.14 0.00 -4.36 0.11 -1.73 121.20 115.93 2c9b s ILE 22 Ca 0.07 -0.56 -0.00 0.00 -0.26 0.00 0.00 60.65 59.90 2c9b s ILE 22 Cb -0.07 -1.18 -0.01 0.00 1.25 0.00 0.00 42.46 42.44 2c9b s ILE 22 CO -0.01 0.39 -0.14 0.54 0.24 0.00 0.00 174.94 175.97 2c9b s VAL 23 N 0.73 2.95 -0.03 8.37 0.11 -0.35 -0.95 120.40 131.23 2c9b s VAL 23 Ca -0.13 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.27 2c9b s VAL 23 Cb -0.16 -2.24 -0.00 0.00 -1.53 0.00 0.00 36.38 32.45 2c9b s VAL 23 CO 0.03 0.52 -0.14 0.00 -3.33 0.00 0.00 175.10 172.18 2c9b s ALA 24 N 0.48 1.21 0.96 1.54 0.00 -0.63 -1.08 121.76 124.24 2c9b s ALA 24 Ca -0.10 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.18 2c9b s ALA 24 Cb -0.16 -0.37 0.17 0.00 0.00 0.00 0.00 23.12 22.76 2c9b s ALA 24 CO 0.04 0.25 1.12 -1.12 0.00 0.00 0.00 175.76 176.05 2c9b s SER 25 N -0.07 3.00 0.00 0.00 0.01 0.79 -0.90 113.70 116.53 2c9b s SER 25 Ca 0.00 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2c9b s SER 25 Cb -0.08 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.52 2c9b s SER 25 CO 0.01 -2.88 0.43 -1.54 0.41 0.00 0.00 173.24 169.67 2c9b n SER 26 N -3.99 0.55 -0.17 2.44 3.41 -0.65 -4.78 113.62 110.43 2c9b n SER 26 Ca 0.06 -1.18 -0.01 0.00 -0.26 0.00 0.00 58.87 57.48 2c9b n SER 26 Cb 0.58 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.61 2c9b n SER 26 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 2c9b h TRP 27 N 0.00 0.13 -2.34 7.33 2.91 -1.79 -2.20 115.95 119.99 2c9b h TRP 27 Ca 0.00 0.03 -0.70 0.00 1.13 0.00 0.00 58.89 59.35 2c9b h TRP 27 Cb 0.57 0.02 -0.35 0.00 -0.51 0.00 0.00 29.16 28.89 2c9b h TRP 27 CO 0.00 -0.04 0.18 0.72 -1.03 0.00 0.00 178.44 178.27 2c9b n HIS 28 N -5.14 3.29 0.00 2.65 8.25 -1.26 -5.00 115.22 118.01 2c9b n HIS 28 Ca 0.07 -3.30 0.00 0.00 -0.26 0.00 0.00 57.72 54.23 2c9b n HIS 28 Cb 0.27 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.52 2c9b n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2c9b n GLY 29 N 0.16 0.00 0.20 -1.41 0.00 -0.83 -1.49 105.19 101.83 2c9b n GLY 29 Ca 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.36 2c9b n GLY 29 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2c9b h LYS 30 N 0.00 0.28 0.00 1.61 3.64 -1.94 -2.42 116.57 117.74 2c9b h LYS 30 Ca 0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2c9b h LYS 30 Cb 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2c9b h LYS 30 CO 0.00 0.18 -0.32 0.82 -2.27 0.00 0.00 179.45 177.86 2c9b h ILE 31 N 0.28 1.21 -0.32 2.00 2.04 -1.68 -2.62 117.51 118.43 2c9b h ILE 31 Ca 0.25 -1.10 -0.14 0.00 1.00 0.00 0.00 64.86 64.87 2c9b h ILE 31 Cb 0.31 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2c9b h ILE 31 CO -0.29 0.31 -0.36 0.00 0.00 0.00 0.00 178.15 177.81 2c9b h ASP 33 N 0.61 0.43 -0.21 0.00 3.32 -1.21 -0.16 116.42 119.19 2c9b h ASP 33 Ca 0.06 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 2c9b h ASP 33 Cb 0.90 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 2c9b h ASP 33 CO 0.08 0.57 -0.19 0.00 -1.72 0.00 0.00 179.24 177.98 2c9b h ALA 34 N 1.48 0.31 -0.16 3.45 0.00 -1.50 -1.76 119.26 121.08 2c9b h ALA 34 Ca 0.08 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.67 2c9b h ALA 34 Cb 0.44 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2c9b h ALA 34 CO 0.02 0.23 -0.01 -0.07 0.00 0.00 0.00 179.25 179.43 2c9b h LEU 35 N 0.19 -0.08 -1.20 0.00 3.38 -1.18 -1.95 115.31 114.47 2c9b h LEU 35 Ca 0.04 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2c9b h LEU 35 Cb 0.73 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2c9b h LEU 35 CO 0.05 -0.02 -0.01 0.25 0.09 0.00 0.00 178.44 178.80 2c9b h LEU 36 N 0.04 0.50 -0.21 1.67 5.85 -1.08 -2.44 115.31 119.64 2c9b h LEU 36 Ca 0.07 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2c9b h LEU 36 Cb 0.09 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2c9b h LEU 36 CO -0.13 0.58 0.08 -0.78 -0.34 0.00 0.00 178.44 177.84 2c9b h ASP 37 N 0.51 0.30 -0.65 1.25 -0.00 -0.95 -1.86 116.42 115.02 2c9b h ASP 37 Ca 0.11 -0.19 -0.03 0.00 -0.00 0.00 0.00 57.03 56.93 2c9b h ASP 37 Cb 0.35 -0.08 -0.03 0.00 -0.00 0.00 0.00 39.33 39.57 2c9b h ASP 37 CO 0.01 0.41 0.31 1.23 -0.00 0.00 0.00 179.24 181.20 2c9b h GLY 38 N 0.18 1.02 0.90 -0.78 0.00 -1.20 -2.01 103.07 101.19 2c9b h GLY 38 Ca 0.07 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2c9b h GLY 38 CO -0.00 0.47 0.04 0.00 0.00 0.00 0.00 176.54 177.05 2c9b h ALA 39 N 1.39 0.11 -0.71 3.60 0.00 -1.24 -2.36 119.26 120.05 2c9b h ALA 39 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2c9b h ALA 39 Cb 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2c9b h ALA 39 CO -0.03 -0.33 0.42 0.00 0.00 0.00 0.00 179.25 179.32 2c9b h ARG 40 N 0.02 0.97 -0.45 0.00 3.08 -1.16 -2.10 114.38 114.74 2c9b h ARG 40 Ca 0.03 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 2c9b h ARG 40 Cb 0.12 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2c9b h ARG 40 CO -0.00 0.69 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.34 2c9b h LYS 41 N 0.98 0.81 -0.22 0.04 3.64 -1.20 -1.64 116.57 118.99 2c9b h LYS 41 Ca 0.26 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2c9b h LYS 41 Cb -0.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2c9b h LYS 41 CO -0.05 0.88 -0.13 0.28 -2.27 0.00 0.00 179.45 178.17 2c9b h VAL 42 N 0.65 1.31 -0.48 2.00 2.07 -1.29 -2.53 116.25 117.98 2c9b h VAL 42 Ca 0.12 -1.21 0.09 0.00 0.82 0.00 0.00 66.70 66.52 2c9b h VAL 42 Cb 0.53 1.63 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 2c9b h VAL 42 CO 0.03 0.37 -0.01 0.00 0.02 0.00 0.00 177.57 177.98 2c9b h ALA 43 N 0.70 0.44 -0.64 1.67 0.00 -1.32 -1.93 119.26 118.18 2c9b h ALA 43 Ca 0.05 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2c9b h ALA 43 Cb 0.63 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2c9b h ALA 43 CO 0.04 -0.39 0.20 0.00 0.00 0.00 0.00 179.25 179.10 2c9b h ALA 44 N 1.42 1.15 0.00 0.00 0.00 -1.23 -0.19 119.26 120.41 2c9b h ALA 44 Ca 0.24 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2c9b h ALA 44 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2c9b h ALA 44 CO -0.40 0.59 -0.30 0.78 0.00 0.00 0.00 179.25 179.92 2c9b h GLY 45 N 1.04 0.00 -2.64 0.00 0.00 -0.98 -2.59 103.07 97.90 2c9b h GLY 45 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2c9b h GLY 45 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.53 2c9b n GLY 47 N 0.92 0.89 2.88 0.00 0.00 -0.97 -2.87 105.19 106.02 2c9b n GLY 47 Ca 0.21 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 3.67 0.26 0.99 1.43 -0.11 -4.56 118.68 120.37 2c9b s LEU 48 Ca 0.00 -2.37 -0.22 0.00 -1.03 0.00 0.00 54.13 50.51 2c9b s LEU 48 Cb 0.00 -1.34 -0.09 0.00 0.03 0.00 0.00 46.19 44.79 2c9b s LEU 48 CO 0.00 -0.32 0.82 -1.81 0.23 0.00 0.00 176.35 175.26 2c9b s ASP 49 N 0.63 7.18 -0.84 2.29 1.11 -1.26 -3.09 116.67 122.69 2c9b s ASP 49 Ca 0.14 1.60 -0.03 0.00 0.18 0.00 0.00 52.55 54.43 2c9b s ASP 49 Cb -0.22 -2.49 -0.01 0.00 1.07 0.00 0.00 42.92 41.28 2c9b s ASP 49 CO -0.08 -0.01 0.72 -0.67 1.18 0.00 0.00 175.17 176.31 2c9b n ASP 50 N 0.66 -6.82 -4.80 0.27 -0.08 -1.26 -5.03 116.55 99.49 2c9b n ASP 50 Ca -0.01 -0.43 -0.30 0.00 -1.51 0.00 0.00 54.79 52.55 2c9b n ASP 50 Cb 0.51 -4.37 0.09 0.00 2.34 0.00 0.00 41.12 39.69 2c9b n ASP 50 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2c9b s PRO 51 N -3.87 2.09 -0.26 -0.67 0.04 -1.26 -5.00 135.00 126.06 2c9b s PRO 51 Ca 0.11 0.68 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 2c9b s PRO 51 Cb -0.03 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 2c9b s PRO 51 CO 0.79 -1.63 1.31 0.99 0.04 0.00 0.00 177.00 178.50 2c9b s THR 52 N -3.13 4.14 -0.19 1.26 2.01 -0.54 -4.93 115.64 114.25 2c9b s THR 52 Ca 0.61 1.32 -0.04 0.00 0.31 0.00 0.00 61.69 63.89 2c9b s THR 52 Cb -0.15 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 2c9b s THR 52 CO 0.54 -0.38 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.36 2c9b s VAL 53 N 4.22 3.55 -0.00 3.82 1.01 -1.26 0.07 120.40 131.80 2c9b s VAL 53 Ca 0.57 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.15 2c9b s VAL 53 Cb -0.18 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 2c9b s VAL 53 CO 0.21 0.45 -0.16 -0.69 0.00 0.00 0.00 175.10 174.91 2c9b s VAL 54 N 1.04 1.28 0.02 2.92 1.01 -0.13 -4.99 120.40 121.56 2c9b s VAL 54 Ca 0.01 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.26 2c9b s VAL 54 Cb -0.15 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2c9b s VAL 54 CO 0.00 0.30 -0.06 -0.13 0.00 0.00 0.00 175.10 175.22 2c9b s ARG 55 N -0.53 2.52 0.13 2.72 1.81 -1.26 -1.60 118.95 122.73 2c9b s ARG 55 Ca 0.06 -0.76 0.03 0.00 -1.72 0.00 0.00 55.73 53.33 2c9b s ARG 55 Cb -0.07 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.90 2c9b s ARG 55 CO -0.00 0.59 -0.06 0.14 -0.68 0.00 0.00 175.30 175.28 2c9b s VAL 56 N -1.05 0.86 -0.04 3.52 -7.23 -0.08 -4.92 120.40 111.47 2c9b s VAL 56 Ca 0.18 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.18 2c9b s VAL 56 Cb -0.11 -1.84 -0.32 0.00 0.56 0.00 0.00 36.38 34.67 2c9b s VAL 56 CO 0.09 -0.74 0.84 0.25 -0.31 0.00 0.00 175.10 175.23 2c9b h LEU 57 N 2.84 0.58 -9.41 1.32 6.46 -1.93 -1.72 115.31 113.44 2c9b h LEU 57 Ca -0.36 -0.92 -0.53 0.00 -0.12 0.00 0.00 57.88 55.94 2c9b h LEU 57 Cb 1.18 -0.19 -0.13 0.00 -0.73 0.00 0.00 40.66 40.79 2c9b h LEU 57 CO 0.64 1.57 -0.59 -0.83 -0.62 0.00 0.00 178.44 178.61 2c9b s GLY 58 N -4.65 2.30 0.30 3.75 0.00 -1.26 -2.73 107.32 105.03 2c9b s GLY 58 Ca -0.14 -1.96 0.14 0.00 0.00 0.00 0.00 44.72 42.77 2c9b s GLY 58 CO 0.86 -1.92 1.61 0.00 0.00 0.00 0.00 173.10 173.65 2c9b h ALA 59 N 1.95 0.89 0.00 3.20 0.00 -1.93 -3.12 119.26 120.25 2c9b h ALA 59 Ca -0.41 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 53.98 2c9b h ALA 59 Cb 1.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2c9b h ALA 59 CO 0.72 0.67 -0.13 0.82 0.00 0.00 0.00 179.25 181.33 2c9b h ILE 60 N 0.00 0.33 -0.00 0.00 2.04 -1.97 -2.96 117.51 114.95 2c9b h ILE 60 Ca -0.01 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2c9b h ILE 60 Cb 1.11 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 2c9b h ILE 60 CO 0.07 0.13 -0.18 -0.62 0.00 0.00 0.00 178.15 177.55 2c9b n GLU 61 N -3.28 0.56 0.17 2.37 4.71 -1.18 -4.34 120.64 119.66 2c9b n GLU 61 Ca 0.00 -0.23 -0.14 0.00 -0.01 0.00 0.00 57.16 56.78 2c9b n GLU 61 Cb 0.38 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.24 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 0.56 0.74 -0.95 -3.67 2.04 -1.63 -3.31 117.51 111.29 2c9b h ILE 62 Ca 0.00 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.69 2c9b h ILE 62 Cb 0.42 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.32 2c9b h ILE 62 CO 0.00 0.06 0.58 -0.65 0.00 0.00 0.00 178.15 178.14 2c9b h PRO 63 N -0.54 0.93 -0.21 2.37 0.11 -1.80 -1.23 132.00 131.63 2c9b h PRO 63 Ca -0.04 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.91 2c9b h PRO 63 Cb 0.40 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 2c9b h PRO 63 CO 0.07 0.62 -0.33 -0.24 -0.21 0.00 0.00 178.00 177.90 2c9b h VAL 64 N 0.96 1.29 0.03 3.15 3.04 -1.86 -0.24 116.25 122.61 2c9b h VAL 64 Ca 0.45 -1.41 -0.25 0.00 -1.01 0.00 0.00 66.70 64.49 2c9b h VAL 64 Cb 0.40 1.49 0.01 0.00 -2.01 0.00 0.00 31.29 31.18 2c9b h VAL 64 CO -0.24 0.44 -1.03 0.58 -1.01 0.00 0.00 177.57 176.31 2c9b h VAL 65 N 0.37 1.38 -0.23 1.51 2.07 -1.53 -3.06 116.25 116.75 2c9b h VAL 65 Ca 0.04 -2.50 -0.05 0.00 0.82 0.00 0.00 66.70 65.02 2c9b h VAL 65 Cb 0.76 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 2c9b h VAL 65 CO 0.06 0.75 -0.08 0.00 0.02 0.00 0.00 177.57 178.32 2c9b h ALA 66 N 0.63 1.44 -0.69 1.67 0.00 -1.04 -1.51 119.26 119.77 2c9b h ALA 66 Ca -0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2c9b h ALA 66 Cb 1.68 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 2c9b h ALA 66 CO 0.18 0.39 0.21 0.37 0.00 0.00 0.00 179.25 180.40 2c9b h GLN 67 N 0.35 1.06 -0.15 0.00 4.15 -0.99 -2.07 115.11 117.45 2c9b h GLN 67 Ca 0.07 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 59.18 2c9b h GLN 67 Cb 0.36 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2c9b h GLN 67 CO 0.02 0.90 -0.28 0.93 -1.93 0.00 0.00 178.83 178.47 2c9b h GLU 68 N 1.02 0.46 0.00 1.69 4.39 -1.39 -3.32 114.58 117.43 2c9b h GLU 68 Ca 0.22 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2c9b h GLU 68 Cb 0.29 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2c9b h GLU 68 CO -0.01 0.89 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.48 2c9b h LEU 69 N 0.08 0.00 -0.71 1.33 3.38 -1.16 -2.38 115.31 115.85 2c9b h LEU 69 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2c9b h LEU 69 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2c9b h LEU 69 CO 0.06 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.78 2c9b h ALA 70 N 1.82 1.00 0.00 1.53 0.00 -1.47 -2.74 119.26 119.40 2c9b h ALA 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c9b h ALA 70 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2c9b h ALA 70 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.81 2c9b n ARG 71 N -2.34 0.05 0.00 0.00 1.74 -0.90 -3.80 116.66 111.41 2c9b n ARG 71 Ca 0.02 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2c9b n ARG 71 Cb 0.26 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 -1.65 0.50 -4.15 0.55 5.15 -1.13 -5.09 115.26 109.44 2c9b n ASN 72 Ca 0.06 -1.08 -0.11 0.00 -0.60 0.00 0.00 54.58 52.85 2c9b n ASN 72 Cb 0.34 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.49 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 -0.08 0.87 -0.45 1.20 3.76 -1.05 -5.00 115.29 114.55 2c9b s HIS 73 Ca 0.00 -0.84 0.16 0.00 -0.15 0.00 0.00 55.06 54.23 2c9b s HIS 73 Cb 0.00 -0.50 0.57 0.00 1.11 0.00 0.00 32.58 33.76 2c9b s HIS 73 CO 0.00 -0.13 1.48 -0.40 -0.85 0.00 0.00 174.74 174.84 2c9b n ASP 74 N 0.22 4.18 -3.64 1.40 3.85 -0.93 -4.74 116.55 116.88 2c9b n ASP 74 Ca -0.14 -2.76 -0.05 0.00 -0.71 0.00 0.00 54.79 51.13 2c9b n ASP 74 Cb 0.60 -0.52 -0.07 0.00 -1.35 0.00 0.00 41.12 39.78 2c9b n ASP 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2c9b s ALA 75 N -2.38 -2.08 -0.07 2.12 0.00 -1.08 -4.62 121.76 113.65 2c9b s ALA 75 Ca 0.43 2.28 0.05 0.00 0.00 0.00 0.00 51.96 54.71 2c9b s ALA 75 Cb 0.32 -1.56 -0.00 0.00 0.00 0.00 0.00 23.12 21.87 2c9b s ALA 75 CO 0.13 -0.36 -0.22 0.08 0.00 0.00 0.00 175.76 175.40 2c9b s VAL 76 N 1.39 1.86 -0.17 0.00 1.01 -0.86 -1.82 120.40 121.82 2c9b s VAL 76 Ca -0.09 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2c9b s VAL 76 Cb -0.04 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 2c9b s VAL 76 CO -0.16 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.65 2c9b s VAL 77 N 0.13 2.98 -0.19 2.92 1.01 -0.70 0.02 120.40 126.57 2c9b s VAL 77 Ca -0.10 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2c9b s VAL 77 Cb -0.15 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2c9b s VAL 77 CO 0.05 0.49 0.10 0.00 0.00 0.00 0.00 175.10 175.74 2c9b s ALA 78 N 0.91 3.56 -0.01 5.51 0.00 -0.23 -1.21 121.76 130.29 2c9b s ALA 78 Ca -0.03 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2c9b s ALA 78 Cb -0.15 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 2c9b s ALA 78 CO -0.00 0.18 -0.10 -0.51 0.00 0.00 0.00 175.76 175.33 2c9b s LEU 79 N 0.32 2.00 0.00 0.00 1.43 -0.24 -0.03 118.68 122.16 2c9b s LEU 79 Ca 0.06 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2c9b s LEU 79 Cb -0.12 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.58 2c9b s LEU 79 CO -0.01 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.30 2c9b n GLY 80 N 2.87 -0.27 2.96 -3.19 0.00 -1.13 -0.15 105.19 106.28 2c9b n GLY 80 Ca -0.14 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 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 0.74 -0.22 1.61 1.01 -1.26 -0.56 120.40 119.72 2c9b s VAL 81 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2c9b s VAL 81 Cb 0.00 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.74 2c9b s VAL 81 CO 0.00 0.25 -0.02 -0.69 0.00 0.00 0.00 175.10 174.65 2c9b s VAL 82 N 0.54 1.16 -0.12 2.92 1.01 -0.32 -4.69 120.40 120.90 2c9b s VAL 82 Ca -0.09 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 2c9b s VAL 82 Cb -0.12 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 2c9b s VAL 82 CO 0.01 -0.16 -0.00 -0.63 0.00 0.00 0.00 175.10 174.31 2c9b s ILE 83 N 1.56 4.25 0.11 2.22 1.01 -1.26 -2.78 121.20 126.31 2c9b s ILE 83 Ca -0.03 -0.25 -0.31 0.00 0.00 0.00 0.00 60.65 60.06 2c9b s ILE 83 Cb -0.18 -2.83 -0.07 0.00 0.01 0.00 0.00 42.46 39.39 2c9b s ILE 83 CO -0.07 0.55 1.28 -0.60 0.00 0.00 0.00 174.94 176.09 2c9b s ARG 84 N -0.28 4.40 0.00 2.79 3.52 -1.13 -4.91 118.95 123.33 2c9b s ARG 84 Ca 0.06 1.93 0.00 0.00 -0.13 0.00 0.00 55.73 57.59 2c9b s ARG 84 Cb -0.12 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 2c9b s ARG 84 CO 0.02 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 2c9b n GLY 85 N 3.08 3.45 0.14 8.12 0.00 -1.26 -4.87 105.19 113.85 2c9b n GLY 85 Ca 0.09 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.23 2c9b n GLY 85 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2c9b h GLN 86 N 0.00 0.00 -6.18 1.61 7.50 -2.02 -3.47 115.11 112.56 2c9b h GLN 86 Ca 0.00 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.62 2c9b h GLN 86 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.48 2c9b h GLN 86 CO 0.00 0.00 -0.53 0.95 -1.50 0.00 0.00 178.83 177.75 2c9b s THR 87 N -3.19 4.61 -1.50 -0.54 -4.23 -1.26 -4.99 115.64 104.55 2c9b s THR 87 Ca 0.07 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 2c9b s THR 87 Cb 0.10 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.52 2c9b s THR 87 CO 0.67 -0.22 0.19 -2.65 -0.54 0.00 0.00 174.62 172.07 2c9b n PRO 88 N -0.77 0.26 0.23 3.99 -0.02 -1.26 -3.68 135.00 133.74 2c9b n PRO 88 Ca -0.08 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.49 2c9b n PRO 88 Cb 0.56 -1.06 0.54 0.00 -0.02 0.00 0.00 33.50 33.52 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 0.37 0.00 -0.50 6.00 2.76 -1.94 -2.88 115.15 118.97 2c9b h HIS 89 Ca 0.00 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.26 2c9b h HIS 89 Cb 0.06 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 28.95 2c9b h HIS 89 CO 0.00 0.23 0.02 0.35 -1.30 0.00 0.00 177.93 177.23 2c9b h PHE 90 N 0.00 0.01 -0.81 5.26 3.57 -1.91 -2.93 116.94 120.13 2c9b h PHE 90 Ca -0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2c9b h PHE 90 Cb 0.55 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 2c9b h PHE 90 CO 0.00 -0.09 0.47 -0.44 -2.23 0.00 0.00 178.31 176.02 2c9b h ASP 91 N 0.14 0.97 1.34 0.41 5.19 -1.83 -2.94 116.42 119.70 2c9b h ASP 91 Ca 0.25 -0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 56.52 2c9b h ASP 91 Cb 0.37 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 2c9b h ASP 91 CO -0.40 0.75 -0.69 1.88 -3.12 0.00 0.00 179.24 177.67 2c9b h TYR 92 N 1.11 0.00 -0.23 4.55 0.05 -1.64 -1.29 116.97 119.53 2c9b h TYR 92 Ca 0.29 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.92 2c9b h TYR 92 Cb -0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.71 2c9b h TYR 92 CO 0.01 0.32 -0.44 0.28 -1.05 0.00 0.00 178.16 177.28 2c9b h VAL 93 N 0.00 1.31 0.00 -2.88 2.07 -1.48 -2.68 116.25 112.59 2c9b h VAL 93 Ca -0.04 -1.66 -0.10 0.00 0.82 0.00 0.00 66.70 65.72 2c9b h VAL 93 Cb 1.28 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2c9b h VAL 93 CO 0.04 0.52 -0.48 0.00 0.02 0.00 0.00 177.57 177.67 2c9b h ASP 95 N 0.00 -0.30 -0.87 0.00 5.19 -1.19 -2.19 116.42 117.05 2c9b h ASP 95 Ca -0.00 -0.12 0.07 0.00 -0.62 0.00 0.00 57.03 56.36 2c9b h ASP 95 Cb 0.88 0.08 -0.07 0.00 0.18 0.00 0.00 39.33 40.40 2c9b h ASP 95 CO 0.06 -0.06 0.53 0.00 -3.12 0.00 0.00 179.24 176.66 2c9b h ALA 96 N 0.12 1.22 -0.06 3.45 0.00 -1.45 -0.73 119.26 121.81 2c9b h ALA 96 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2c9b h ALA 96 Cb 0.41 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2c9b h ALA 96 CO 0.06 0.24 0.03 0.28 0.00 0.00 0.00 179.25 179.86 2c9b h VAL 97 N 0.94 1.06 0.04 0.00 2.07 -1.50 0.31 116.25 119.17 2c9b h VAL 97 Ca 0.39 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.76 2c9b h VAL 97 Cb 0.24 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2c9b h VAL 97 CO -0.20 0.05 -0.12 0.74 0.02 0.00 0.00 177.57 178.06 2c9b h THR 98 N 0.02 0.70 -0.07 2.57 2.02 -0.86 -1.40 112.91 115.89 2c9b h THR 98 Ca 0.02 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.09 2c9b h THR 98 Cb 0.06 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2c9b h THR 98 CO -0.00 0.00 -0.48 1.56 0.37 0.00 0.00 175.52 176.97 2c9b h GLN 99 N -0.23 0.17 0.10 6.66 4.20 -1.13 -2.73 115.11 122.14 2c9b h GLN 99 Ca 0.03 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2c9b h GLN 99 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2c9b h GLN 99 CO -0.09 0.61 -0.05 0.78 -0.67 0.00 0.00 178.83 179.42 2c9b h GLY 100 N 1.35 -0.14 1.86 3.46 0.00 -0.80 -3.03 103.07 105.78 2c9b h GLY 100 Ca 0.01 0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.31 2c9b h GLY 100 CO 0.07 -0.05 -0.30 1.41 0.00 0.00 0.00 176.54 177.67 2c9b h LEU 101 N -0.84 0.16 -0.62 3.11 3.38 -1.34 -1.45 115.31 117.71 2c9b h LEU 101 Ca -0.01 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2c9b h LEU 101 Cb 0.58 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2c9b h LEU 101 CO 0.02 0.46 -0.30 0.74 0.09 0.00 0.00 178.44 179.46 2c9b h THR 102 N 0.15 1.28 -0.05 0.22 2.02 -1.61 -2.59 112.91 112.31 2c9b h THR 102 Ca 0.02 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 65.74 2c9b h THR 102 Cb 0.61 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2c9b h THR 102 CO 0.04 0.48 -0.06 -0.09 0.37 0.00 0.00 175.52 176.26 2c9b h ARG 103 N 0.65 0.13 -0.38 6.66 2.43 -1.34 -3.20 114.38 119.34 2c9b h ARG 103 Ca 0.08 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2c9b h ARG 103 Cb 0.83 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 2c9b h ARG 103 CO 0.07 0.59 0.10 0.28 -1.51 0.00 0.00 179.97 179.50 2c9b h VAL 104 N -0.32 0.83 -0.91 0.20 2.07 -1.32 -0.34 116.25 116.46 2c9b h VAL 104 Ca 0.01 -0.08 0.16 0.00 0.82 0.00 0.00 66.70 67.61 2c9b h VAL 104 Cb 0.57 0.58 -0.10 0.00 -1.52 0.00 0.00 31.29 30.82 2c9b h VAL 104 CO 0.01 0.04 0.50 -1.28 0.02 0.00 0.00 177.57 176.86 2c9b h SER 105 N 0.23 0.61 0.59 0.57 0.87 -1.55 -2.11 113.55 112.77 2c9b h SER 105 Ca 0.18 0.10 -0.24 0.00 -1.23 0.00 0.00 61.79 60.59 2c9b h SER 105 Cb 0.20 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 2c9b h SER 105 CO -0.22 0.23 -1.57 -0.07 -0.53 0.00 0.00 176.83 174.68 2c9b h LEU 106 N 0.67 0.00 -0.73 2.23 3.38 -1.42 -0.90 115.31 118.53 2c9b h LEU 106 Ca 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.46 2c9b h LEU 106 Cb 0.75 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2c9b h LEU 106 CO -0.38 0.85 0.38 0.44 0.09 0.00 0.00 178.44 179.82 2c9b h ASP 107 N 0.00 0.93 -0.30 -0.43 3.45 -0.83 -3.20 116.42 116.04 2c9b h ASP 107 Ca -0.23 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.12 2c9b h ASP 107 Cb 1.85 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 40.38 2c9b h ASP 107 CO 0.07 0.78 0.00 -1.54 -1.57 0.00 0.00 179.24 176.98 2c9b n SER 108 N -4.45 2.96 -4.30 6.45 3.41 -0.81 -4.98 113.62 111.90 2c9b n SER 108 Ca 0.06 -1.87 -0.32 0.00 -0.26 0.00 0.00 58.87 56.49 2c9b n SER 108 Cb 0.11 -0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 63.78 2c9b n SER 108 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2c9b n SER 109 N 1.02 0.59 -4.06 4.04 3.41 -0.58 -4.95 113.62 113.10 2c9b n SER 109 Ca 0.14 -1.28 -0.23 0.00 -0.26 0.00 0.00 58.87 57.25 2c9b n SER 109 Cb 0.48 -1.58 -0.16 0.00 -0.26 0.00 0.00 64.21 62.69 2c9b n SER 109 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2c9b s THR 110 N -4.32 1.06 -0.06 6.66 2.01 -0.45 -5.03 115.64 115.51 2c9b s THR 110 Ca 0.04 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 2c9b s THR 110 Cb -0.02 -0.93 -0.06 0.00 0.01 0.00 0.00 72.50 71.50 2c9b s THR 110 CO 0.99 0.32 1.73 -2.84 -0.69 0.00 0.00 174.62 174.13 2c9b s PRO 111 N 0.15 4.10 -0.41 4.92 0.02 -1.26 -4.44 135.00 138.08 2c9b s PRO 111 Ca -0.04 2.20 -0.07 0.00 0.02 0.00 0.00 61.00 63.12 2c9b s PRO 111 Cb -0.10 -4.04 0.09 0.00 0.02 0.00 0.00 34.50 30.47 2c9b s PRO 111 CO 0.01 -0.96 0.22 0.42 -0.33 0.00 0.00 177.00 176.37 2c9b s ILE 112 N 4.39 3.82 0.23 2.83 -1.09 -1.26 -2.02 121.20 128.09 2c9b s ILE 112 Ca 0.77 -1.63 -0.30 0.00 -2.23 0.00 0.00 60.65 57.27 2c9b s ILE 112 Cb -0.34 -3.42 -0.09 0.00 -1.58 0.00 0.00 42.46 37.03 2c9b s ILE 112 CO 0.32 -0.54 1.20 0.00 -1.23 0.00 0.00 174.94 174.68 2c9b s ALA 113 N 1.32 3.44 -0.44 9.38 0.00 0.10 -4.93 121.76 130.64 2c9b s ALA 113 Ca 0.04 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 2c9b s ALA 113 Cb -0.23 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.52 2c9b s ALA 113 CO -0.00 -0.36 0.38 1.21 0.00 0.00 0.00 175.76 176.99 2c9b s ASN 114 N -0.17 6.15 -0.23 0.00 3.04 -1.26 -1.07 114.94 121.40 2c9b s ASN 114 Ca 0.51 -0.97 0.12 0.00 0.04 0.00 0.00 52.86 52.55 2c9b s ASN 114 Cb -0.34 -2.19 0.44 0.00 -1.54 0.00 0.00 41.25 37.63 2c9b s ASN 114 CO 0.40 -0.57 1.20 0.61 -3.04 0.00 0.00 177.10 175.69 2c9b n GLY 115 N 5.16 5.05 3.47 1.21 0.00 0.96 -4.86 105.19 116.18 2c9b n GLY 115 Ca -0.10 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.55 5.00 0.25 1.61 1.01 -1.25 -2.83 120.40 120.64 2c9b s VAL 116 Ca 0.42 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 2c9b s VAL 116 Cb 0.38 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 2c9b s VAL 116 CO -0.03 -0.57 1.28 -0.76 0.00 0.00 0.00 175.10 175.02 2c9b s LEU 117 N 2.35 4.44 -0.53 3.92 1.43 0.28 -4.92 118.68 125.66 2c9b s LEU 117 Ca 0.14 2.47 0.04 0.00 -1.03 0.00 0.00 54.13 55.75 2c9b s LEU 117 Cb -0.18 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.58 2c9b s LEU 117 CO 0.14 -0.48 0.35 0.42 0.23 0.00 0.00 176.35 177.01 2c9b s THR 118 N -0.41 1.68 0.34 5.49 -4.23 -1.26 -1.17 115.64 116.07 2c9b s THR 118 Ca 0.53 -3.21 0.09 0.00 -1.18 0.00 0.00 61.69 57.92 2c9b s THR 118 Cb -0.37 -2.14 -0.05 0.00 1.34 0.00 0.00 72.50 71.29 2c9b s THR 118 CO 0.43 -1.02 0.06 0.42 -0.54 0.00 0.00 174.62 173.97 2c9b s THR 119 N -0.37 2.82 -0.13 3.99 -4.23 -1.12 -5.05 115.64 111.55 2c9b s THR 119 Ca 0.24 -1.86 -0.15 0.00 -1.18 0.00 0.00 61.69 58.74 2c9b s THR 119 Cb -0.10 -2.87 -0.13 0.00 1.34 0.00 0.00 72.50 70.73 2c9b s THR 119 CO -0.11 -0.20 0.35 0.78 -0.54 0.00 0.00 174.62 174.90 2c9b h ASN 120 N 1.71 0.00 -1.06 3.99 2.35 -1.94 -3.00 115.58 117.63 2c9b h ASN 120 Ca -0.43 -0.49 -0.50 0.00 -0.55 0.00 0.00 56.30 54.32 2c9b h ASN 120 Cb 1.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 2c9b h ASN 120 CO 0.65 0.82 -0.26 0.42 -1.65 0.00 0.00 177.43 177.41 2c9b s THR 121 N -1.96 2.31 0.12 2.81 -4.23 -1.26 -3.54 115.64 109.88 2c9b s THR 121 Ca -0.12 -1.23 0.08 0.00 -1.18 0.00 0.00 61.69 59.25 2c9b s THR 121 Cb -0.01 -2.54 -0.15 0.00 1.34 0.00 0.00 72.50 71.14 2c9b s THR 121 CO 0.37 0.00 1.35 -0.08 -0.54 0.00 0.00 174.62 175.73 2c9b h GLU 122 N 0.65 0.00 0.00 3.99 4.81 -1.96 -3.26 114.58 118.82 2c9b h GLU 122 Ca -0.37 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.75 2c9b h GLU 122 Cb 1.28 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 2c9b h GLU 122 CO 0.51 0.89 -0.55 1.05 -0.73 0.00 0.00 179.01 180.17 2c9b h GLU 123 N 0.00 0.00 -0.20 1.92 4.11 -2.00 -2.76 114.58 115.65 2c9b h GLU 123 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.30 2c9b h GLU 123 Cb 1.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 2c9b h GLU 123 CO 0.12 0.55 -0.40 1.96 0.07 0.00 0.00 179.01 181.30 2c9b h GLN 124 N 0.00 0.47 -0.11 1.06 4.20 -1.98 -2.80 115.11 115.95 2c9b h GLN 124 Ca -0.01 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.32 2c9b h GLN 124 Cb 1.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2c9b h GLN 124 CO 0.07 0.79 -0.59 0.00 -0.67 0.00 0.00 178.83 178.43 2c9b h ALA 125 N 1.18 0.78 -0.26 3.87 0.00 -1.57 -3.16 119.26 120.11 2c9b h ALA 125 Ca 0.03 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 2c9b h ALA 125 Cb 0.88 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2c9b h ALA 125 CO 0.07 0.71 -0.42 -0.07 0.00 0.00 0.00 179.25 179.54 2c9b h LEU 126 N 0.27 0.67 0.00 0.00 3.38 -1.47 -3.17 115.31 114.99 2c9b h LEU 126 Ca -0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2c9b h LEU 126 Cb 1.11 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2c9b h LEU 126 CO 0.10 1.00 0.00 -0.67 0.09 0.00 0.00 178.44 178.96 2c9b n ASP 127 N -4.02 0.00 -0.07 -0.43 2.03 -1.06 -2.35 116.55 110.65 2c9b n ASP 127 Ca -0.02 0.43 0.08 0.00 0.52 0.00 0.00 54.79 55.79 2c9b n ASP 127 Cb 0.53 -0.46 0.11 0.00 -0.72 0.00 0.00 41.12 40.58 2c9b n ASP 127 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2c9b n ARG 128 N -1.46 1.68 -0.08 -0.67 1.74 -1.20 -1.90 116.66 114.77 2c9b n ARG 128 Ca 0.05 -2.35 -0.19 0.00 -0.77 0.00 0.00 57.85 54.59 2c9b n ARG 128 Cb 0.18 -1.40 -0.13 0.00 -1.02 0.00 0.00 32.46 30.09 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 -1.21 1.24 0.00 7.54 0.00 -0.99 -2.29 120.51 124.80 2c9b n ALA 129 Ca 0.13 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2c9b n ALA 129 Cb 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 2.13 1.54 3.97 0.00 0.00 -0.88 -4.04 105.19 107.92 2c9b n GLY 130 Ca -0.40 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 2c9b n GLY 130 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2c9b s LEU 131 N 0.00 3.27 0.06 0.99 2.34 -1.26 -4.93 118.68 119.14 2c9b s LEU 131 Ca 0.00 0.02 -0.05 0.00 0.06 0.00 0.00 54.13 54.16 2c9b s LEU 131 Cb 0.00 -2.89 0.05 0.00 -0.56 0.00 0.00 46.19 42.79 2c9b s LEU 131 CO 0.00 -1.14 0.40 -2.65 -1.06 0.00 0.00 176.35 171.90 2c9b n PRO 132 N -2.35 -0.07 -0.41 1.48 -0.02 -1.26 -0.52 135.00 131.85 2c9b n PRO 132 Ca 0.08 0.39 0.08 0.00 -2.02 0.00 0.00 63.50 62.03 2c9b n PRO 132 Cb 0.60 -0.58 0.25 0.00 -0.02 0.00 0.00 33.50 33.74 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 -4.37 1.92 -2.56 3.45 -2.24 -1.26 -5.01 114.28 104.21 2c9b n THR 133 Ca 0.02 -1.55 -0.34 0.00 -2.27 0.00 0.00 64.05 59.91 2c9b n THR 133 Cb 0.10 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.52 6.42 0.10 3.42 0.01 0.33 -4.98 113.70 117.48 2c9b s SER 134 Ca 0.38 1.93 0.07 0.00 1.31 0.00 0.00 55.95 59.64 2c9b s SER 134 Cb 0.28 -2.56 -0.22 0.00 0.21 0.00 0.00 66.02 63.73 2c9b s SER 134 CO 0.13 -0.72 1.21 0.00 0.41 0.00 0.00 173.24 174.27 2c9b h ALA 135 N 1.68 0.37 -2.31 1.44 0.00 -1.79 -3.46 119.26 115.19 2c9b h ALA 135 Ca -0.49 -0.96 -0.20 0.00 0.00 0.00 0.00 54.91 53.26 2c9b h ALA 135 Cb 1.22 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 2c9b h ALA 135 CO 0.59 1.26 -0.70 -1.21 0.00 0.00 0.00 179.25 179.20 2c9b s GLU 136 N -2.70 0.75 -0.43 0.00 2.02 -0.80 -5.05 118.70 112.50 2c9b s GLU 136 Ca 0.00 -1.26 0.02 0.00 0.02 0.00 0.00 54.97 53.76 2c9b s GLU 136 Cb 0.10 -0.11 0.14 0.00 0.10 0.00 0.00 34.13 34.36 2c9b s GLU 136 CO 0.83 -0.04 0.27 0.34 0.02 0.00 0.00 175.26 176.68 2c9b s ASP 137 N -2.89 3.20 0.48 -0.19 -1.08 -1.26 -2.07 116.67 112.87 2c9b s ASP 137 Ca 0.09 -2.68 0.28 0.00 -0.52 0.00 0.00 52.55 49.72 2c9b s ASP 137 Cb 0.05 -0.81 0.94 0.00 -1.46 0.00 0.00 42.92 41.64 2c9b s ASP 137 CO -0.06 -0.25 1.83 0.11 0.52 0.00 0.00 175.17 177.32 2c9b h LYS 138 N 6.52 0.00 -0.30 4.34 1.57 -1.69 -2.01 116.57 125.01 2c9b h LYS 138 Ca 0.07 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 2c9b h LYS 138 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 2c9b h LYS 138 CO 0.42 0.08 -0.19 0.78 -0.57 0.00 0.00 179.45 179.97 2c9b h GLY 139 N 2.61 0.58 0.99 3.86 0.00 -1.81 -1.30 103.07 108.00 2c9b h GLY 139 Ca -0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 47.33 46.70 2c9b h GLY 139 CO 0.01 0.41 -0.68 0.00 0.00 0.00 0.00 176.54 176.28 2c9b h ALA 140 N 1.32 0.19 -0.78 3.60 0.00 -1.66 -3.13 119.26 118.80 2c9b h ALA 140 Ca 0.08 -0.57 0.08 0.00 0.00 0.00 0.00 54.91 54.50 2c9b h ALA 140 Cb 0.60 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 2c9b h ALA 140 CO 0.04 0.50 0.45 1.96 0.00 0.00 0.00 179.25 182.20 2c9b h GLN 141 N 0.23 0.76 -0.10 0.00 4.20 -1.24 -2.74 115.11 116.22 2c9b h GLN 141 Ca -0.06 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.47 2c9b h GLN 141 Cb 1.33 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 2c9b h GLN 141 CO 0.14 0.50 -0.52 0.00 -0.67 0.00 0.00 178.83 178.27 2c9b h ALA 142 N 1.42 0.93 -0.22 3.87 0.00 -1.30 -2.64 119.26 121.31 2c9b h ALA 142 Ca 0.37 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 2c9b h ALA 142 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2c9b h ALA 142 CO -0.22 0.67 -0.44 1.15 0.00 0.00 0.00 179.25 180.41 2c9b h THR 143 N 0.21 1.31 -0.93 0.00 2.02 -1.45 -2.15 112.91 111.93 2c9b h THR 143 Ca 0.01 -1.66 0.06 0.00 0.77 0.00 0.00 66.41 65.59 2c9b h THR 143 Cb 0.99 1.80 -0.06 0.00 -1.74 0.00 0.00 68.15 69.14 2c9b h THR 143 CO 0.08 0.52 0.59 0.58 0.37 0.00 0.00 175.52 177.66 2c9b h VAL 144 N 0.41 1.06 -0.52 3.16 2.07 -1.47 -1.53 116.25 119.43 2c9b h VAL 144 Ca 0.01 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2c9b h VAL 144 Cb 1.05 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2c9b h VAL 144 CO 0.10 0.19 0.29 0.00 0.02 0.00 0.00 177.57 178.17 2c9b h ALA 145 N 1.43 0.67 -0.25 1.67 0.00 -1.29 -2.09 119.26 119.39 2c9b h ALA 145 Ca 0.40 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2c9b h ALA 145 Cb 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2c9b h ALA 145 CO -0.17 0.19 -0.23 0.00 0.00 0.00 0.00 179.25 179.03 2c9b h ALA 146 N 1.12 0.36 -0.42 0.00 0.00 -0.98 -2.56 119.26 116.80 2c9b h ALA 146 Ca 0.18 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2c9b h ALA 146 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2c9b h ALA 146 CO -0.03 0.33 -0.04 -0.07 0.00 0.00 0.00 179.25 179.44 2c9b h LEU 147 N 0.31 0.76 -0.48 0.00 3.38 -1.29 -2.28 115.31 115.71 2c9b h LEU 147 Ca 0.04 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 2c9b h LEU 147 Cb 0.78 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2c9b h LEU 147 CO 0.06 0.91 0.01 0.00 0.09 0.00 0.00 178.44 179.51 2c9b h ALA 148 N 0.87 0.65 -0.11 1.53 0.00 -1.42 -1.46 119.26 119.33 2c9b h ALA 148 Ca 0.11 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2c9b h ALA 148 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2c9b h ALA 148 CO 0.03 0.44 -0.41 1.15 0.00 0.00 0.00 179.25 180.46 2c9b h THR 149 N 0.70 1.31 -0.47 0.00 2.02 -1.47 -0.41 112.91 114.60 2c9b h THR 149 Ca 0.14 -1.51 -0.13 0.00 0.77 0.00 0.00 66.41 65.67 2c9b h THR 149 Cb 0.50 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2c9b h THR 149 CO 0.02 0.45 -0.22 0.00 0.37 0.00 0.00 175.52 176.15 2c9b h ALA 150 N 1.38 0.73 -0.54 6.16 0.00 -1.23 -1.60 119.26 124.17 2c9b h ALA 150 Ca 0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2c9b h ALA 150 Cb 0.81 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2c9b h ALA 150 CO 0.06 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.91 2c9b h LEU 151 N 0.82 0.89 -0.09 0.00 3.38 -0.97 -2.10 115.31 117.24 2c9b h LEU 151 Ca 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2c9b h LEU 151 Cb 0.78 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2c9b h LEU 151 CO 0.06 0.95 0.02 0.74 0.09 0.00 0.00 178.44 180.31 2c9b h THR 152 N 0.85 1.19 -0.47 0.22 2.02 -0.95 -2.20 112.91 113.56 2c9b h THR 152 Ca 0.16 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 2c9b h THR 152 Cb 0.50 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 2c9b h THR 152 CO 0.02 0.16 0.13 -0.07 0.37 0.00 0.00 175.52 176.14 2c9b h LEU 153 N -0.05 0.70 -1.00 2.58 3.38 -1.30 -1.17 115.31 118.45 2c9b h LEU 153 Ca 0.03 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 57.90 2c9b h LEU 153 Cb 0.23 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 2c9b h LEU 153 CO -0.00 0.73 0.62 -0.09 0.09 0.00 0.00 178.44 179.80 2c9b h ARG 154 N 0.63 0.95 -0.08 1.13 2.43 -1.37 0.42 114.38 118.49 2c9b h ARG 154 Ca 0.15 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.07 2c9b h ARG 154 Cb 0.29 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2c9b h ARG 154 CO -0.00 0.63 -0.76 1.49 -1.51 0.00 0.00 179.97 179.82 2c9b h GLU 155 N 0.98 0.45 -0.01 0.20 4.22 -1.01 -3.21 114.58 116.19 2c9b h GLU 155 Ca 0.50 -0.38 -0.15 0.00 0.08 0.00 0.00 59.36 59.40 2c9b h GLU 155 Cb 0.50 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2c9b h GLU 155 CO -0.27 1.02 -0.70 -0.07 -2.18 0.00 0.00 179.01 176.81 2c9b h LEU 156 N 0.31 0.07-10.84 1.64 3.38 -0.51 -3.47 115.31 105.88 2c9b h LEU 156 Ca -0.04 -0.05 -0.45 0.00 0.09 0.00 0.00 57.88 57.44 2c9b h LEU 156 Cb 1.34 -0.02 0.16 0.00 0.09 0.00 0.00 40.66 42.23 2c9b h LEU 156 CO 0.13 0.75 0.37 -0.13 0.09 0.00 0.00 178.44 179.66 2c9b s ARG 157 N -3.45 0.60 -0.26 1.13 0.52 0.07 -4.96 118.95 112.60 2c9b s ARG 157 Ca -0.02 -0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 54.27 2c9b s ARG 157 Cb 0.12 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.64 2c9b s ARG 157 CO 0.78 -2.38 1.86 0.00 0.02 0.00 0.00 175.30 175.58 2c9b s ALA 158 N -3.81 2.98 0.02 2.13 0.00 -1.26 -4.99 121.76 116.83 2c9b s ALA 158 Ca 0.75 0.49 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 2c9b s ALA 158 Cb -0.03 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.12 2c9b s ALA 158 CO 0.52 -2.44 0.19 -3.38 0.00 0.00 0.00 175.76 170.65 2c9b s HIS 159 N 6.64 0.03 -2.00 0.00 -3.43 -1.26 -5.13 115.29 110.14 2c9b s HIS 159 Ca 0.83 -0.19 0.29 0.00 -0.80 0.00 0.00 55.06 55.19 2c9b s HIS 159 Cb -0.27 -0.02 1.72 0.00 -1.43 0.00 0.00 32.58 32.58 2c9b s HIS 159 CO 0.34 -0.39 2.06 0.45 -2.00 0.00 0.00 174.74 175.19