#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 3.63 0.31 -1.67 0.00 -1.01 -4.90 120.51 116.87 2c9b n ALA 15 Ca 0.00 -3.17 0.20 0.00 0.00 0.00 0.00 53.44 50.47 2c9b n ALA 15 Cb 0.00 -0.56 0.97 0.00 0.00 0.00 0.00 19.45 19.86 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 1.92 0.00 0.88 0.00 4.64 -1.85 -2.84 113.55 116.29 2c9b h SER 16 Ca 0.06 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.16 2c9b h SER 16 Cb 1.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.48 2c9b h SER 16 CO 0.35 0.01 -1.00 1.23 -0.87 0.00 0.00 176.83 176.55 2c9b h GLY 17 N 0.83 0.06 -3.89 -0.77 0.00 -1.92 -3.47 103.07 93.91 2c9b h GLY 17 Ca -0.00 -0.15 -0.51 0.00 0.00 0.00 0.00 47.33 46.67 2c9b h GLY 17 CO 0.00 0.13 0.56 0.54 0.00 0.00 0.00 176.54 177.78 2c9b s VAL 18 N -2.81 3.13 -0.40 4.60 0.11 -1.07 -5.00 120.40 118.95 2c9b s VAL 18 Ca -0.00 1.11 -0.18 0.00 -2.93 0.00 0.00 61.98 59.97 2c9b s VAL 18 Cb 0.10 -3.71 0.01 0.00 -1.53 0.00 0.00 36.38 31.25 2c9b s VAL 18 CO 0.83 0.25 0.52 -0.13 -3.33 0.00 0.00 175.10 173.24 2c9b s ARG 19 N -1.44 3.36 -0.11 1.54 0.52 -1.26 -4.99 118.95 116.58 2c9b s ARG 19 Ca 0.48 -0.42 -0.01 0.00 -0.52 0.00 0.00 55.73 55.26 2c9b s ARG 19 Cb -0.36 -3.90 -0.03 0.00 0.52 0.00 0.00 34.95 31.19 2c9b s ARG 19 CO 0.46 -0.80 -0.08 -1.17 0.02 0.00 0.00 175.30 173.73 2c9b s LEU 20 N 2.41 3.06 0.01 2.53 2.96 -1.26 -0.07 118.68 128.32 2c9b s LEU 20 Ca 0.17 -0.14 0.08 0.00 -0.22 0.00 0.00 54.13 54.03 2c9b s LEU 20 Cb -0.16 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 2c9b s LEU 20 CO 0.15 0.26 -0.25 0.00 -1.32 0.00 0.00 176.35 175.19 2c9b s ALA 21 N -0.18 2.07 -0.08 5.97 0.00 -0.80 -2.48 121.76 126.26 2c9b s ALA 21 Ca 0.02 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.88 2c9b s ALA 21 Cb -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2c9b s ALA 21 CO 0.03 0.50 -0.18 0.42 0.00 0.00 0.00 175.76 176.52 2c9b s ILE 22 N -0.69 1.59 -0.16 0.00 1.01 0.68 -0.67 121.20 122.96 2c9b s ILE 22 Ca 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2c9b s ILE 22 Cb -0.10 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 41.00 2c9b s ILE 22 CO 0.01 0.46 -0.14 0.54 0.00 0.00 0.00 174.94 175.80 2c9b s VAL 23 N 0.43 1.61 -0.10 2.92 0.11 0.47 -1.29 120.40 124.56 2c9b s VAL 23 Ca -0.15 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 2c9b s VAL 23 Cb -0.16 -1.53 0.02 0.00 -1.53 0.00 0.00 36.38 33.18 2c9b s VAL 23 CO 0.06 0.43 -0.08 0.00 -3.33 0.00 0.00 175.10 172.18 2c9b s ALA 24 N 1.46 1.25 0.88 1.54 0.00 -0.78 -1.20 121.76 124.92 2c9b s ALA 24 Ca 0.04 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 2c9b s ALA 24 Cb -0.13 -0.81 0.12 0.00 0.00 0.00 0.00 23.12 22.30 2c9b s ALA 24 CO -0.11 -0.29 1.10 -1.54 0.00 0.00 0.00 175.76 174.93 2c9b s SER 25 N 1.46 3.66 -0.02 0.00 1.04 -0.64 -2.56 113.70 116.65 2c9b s SER 25 Ca 0.00 1.33 0.13 0.00 0.48 0.00 0.00 55.95 57.89 2c9b s SER 25 Cb -0.13 -2.01 -0.20 0.00 0.10 0.00 0.00 66.02 63.78 2c9b s SER 25 CO -0.05 -2.50 0.29 -1.20 0.98 0.00 0.00 173.24 170.76 2c9b n SER 26 N -3.77 1.98 -4.68 7.02 7.64 0.10 -4.82 113.62 117.08 2c9b n SER 26 Ca 0.07 -0.02 -0.52 0.00 1.01 0.00 0.00 58.87 59.41 2c9b n SER 26 Cb 0.56 1.59 -0.06 0.00 -1.01 0.00 0.00 64.21 65.29 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 -1.94 2.13 -2.24 1.43 -0.00 -0.86 -2.83 117.44 113.12 2c9b n TRP 27 Ca -0.02 0.30 -0.04 0.00 -0.00 0.00 0.00 57.50 57.74 2c9b n TRP 27 Cb 0.34 -2.54 0.00 0.00 -0.00 0.00 0.00 31.31 29.12 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 5.41 -2.03 -0.01 5.87 8.25 -1.26 -4.56 115.22 126.88 2c9b n HIS 28 Ca 0.23 0.84 -0.10 0.00 -0.26 0.00 0.00 57.72 58.43 2c9b n HIS 28 Cb 0.22 -2.96 -0.04 0.00 1.12 0.00 0.00 29.99 28.33 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 1.25 0.09 1.01 -1.41 0.00 -1.92 -2.86 103.07 99.22 2c9b h GLY 29 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 2c9b h GLY 29 CO 0.10 -0.05 0.27 1.70 0.00 0.00 0.00 176.54 178.56 2c9b h LYS 30 N 0.00 0.96 -0.36 4.80 3.64 -1.94 -2.39 116.57 121.28 2c9b h LYS 30 Ca 0.06 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.11 2c9b h LYS 30 Cb 0.09 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2c9b h LYS 30 CO -0.13 0.80 -0.41 0.82 -2.27 0.00 0.00 179.45 178.25 2c9b h ILE 31 N 0.90 1.27 0.00 2.00 2.04 -1.93 -2.15 117.51 119.64 2c9b h ILE 31 Ca 0.22 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.45 2c9b h ILE 31 Cb 0.19 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2c9b h ILE 31 CO -0.02 0.53 -0.17 0.00 0.00 0.00 0.00 178.15 178.49 2c9b h ASP 33 N 0.00 0.69 -0.46 0.00 3.45 -1.25 -2.97 116.42 115.89 2c9b h ASP 33 Ca -0.00 -0.54 -0.12 0.00 0.43 0.00 0.00 57.03 56.80 2c9b h ASP 33 Cb 0.47 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.01 2c9b h ASP 33 CO 0.02 1.33 -0.15 0.00 -1.57 0.00 0.00 179.24 178.87 2c9b h ALA 34 N 0.62 0.80 -0.25 3.45 0.00 -0.68 -2.12 119.26 121.08 2c9b h ALA 34 Ca -0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2c9b h ALA 34 Cb 1.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2c9b h ALA 34 CO 0.18 0.66 0.04 -0.07 0.00 0.00 0.00 179.25 180.06 2c9b h LEU 35 N 0.84 0.39 -1.02 0.00 3.38 -1.13 -3.05 115.31 114.72 2c9b h LEU 35 Ca 0.12 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2c9b h LEU 35 Cb 0.71 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2c9b h LEU 35 CO 0.05 0.55 -0.39 0.25 0.09 0.00 0.00 178.44 178.99 2c9b h LEU 36 N 0.22 0.20 -0.57 1.67 5.85 -1.50 -2.59 115.31 118.60 2c9b h LEU 36 Ca 0.08 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2c9b h LEU 36 Cb 0.32 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2c9b h LEU 36 CO 0.00 0.58 0.10 -0.78 -0.34 0.00 0.00 178.44 178.01 2c9b h ASP 37 N 0.17 0.89 -0.25 1.25 -0.00 -1.38 -1.06 116.42 116.04 2c9b h ASP 37 Ca 0.02 -0.25 -0.09 0.00 -0.00 0.00 0.00 57.03 56.70 2c9b h ASP 37 Cb 0.77 -0.24 -0.02 0.00 -0.00 0.00 0.00 39.33 39.85 2c9b h ASP 37 CO 0.06 0.92 -0.15 1.23 -0.00 0.00 0.00 179.24 181.29 2c9b h GLY 38 N 0.83 0.73 0.88 -0.78 0.00 -1.42 -2.69 103.07 100.62 2c9b h GLY 38 Ca 0.17 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 2c9b h GLY 38 CO 0.01 0.51 -0.14 0.00 0.00 0.00 0.00 176.54 176.92 2c9b h ALA 39 N 1.22 0.38 -0.86 3.60 0.00 -1.25 -2.84 119.26 119.51 2c9b h ALA 39 Ca 0.10 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2c9b h ALA 39 Cb 0.61 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2c9b h ALA 39 CO 0.04 0.26 0.57 0.00 0.00 0.00 0.00 179.25 180.12 2c9b h ARG 40 N 0.30 1.10 -0.32 0.00 3.08 -1.18 -2.53 114.38 114.83 2c9b h ARG 40 Ca 0.06 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2c9b h ARG 40 Cb 0.66 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 2c9b h ARG 40 CO 0.04 0.73 -0.49 0.87 -1.07 0.00 0.00 179.97 180.05 2c9b h LYS 41 N 1.14 0.88 -0.23 0.04 1.57 -1.42 -1.10 116.57 117.45 2c9b h LYS 41 Ca 0.33 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2c9b h LYS 41 Cb -0.07 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2c9b h LYS 41 CO -0.08 1.16 0.11 0.28 -0.57 0.00 0.00 179.45 180.35 2c9b h VAL 42 N 0.69 1.14 -0.91 0.50 2.07 -1.45 -1.48 116.25 116.81 2c9b h VAL 42 Ca 0.03 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.24 2c9b h VAL 42 Cb 1.09 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 2c9b h VAL 42 CO 0.11 0.14 0.56 0.00 0.02 0.00 0.00 177.57 178.40 2c9b h ALA 43 N 0.97 1.29 -0.19 1.67 0.00 -1.38 -1.47 119.26 120.16 2c9b h ALA 43 Ca 0.08 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2c9b h ALA 43 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2c9b h ALA 43 CO -0.01 0.25 -0.47 0.00 0.00 0.00 0.00 179.25 179.02 2c9b h ALA 44 N 1.46 0.84 0.00 0.00 0.00 -0.99 -0.88 119.26 119.69 2c9b h ALA 44 Ca 0.42 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2c9b h ALA 44 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2c9b h ALA 44 CO -0.21 0.66 -0.26 0.78 0.00 0.00 0.00 179.25 180.22 2c9b h GLY 45 N 1.12 0.00 -0.06 0.00 0.00 -0.90 -3.15 103.07 100.08 2c9b h GLY 45 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2c9b h GLY 45 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.63 2c9b n GLY 47 N 0.97 0.69 3.37 0.00 0.00 -1.19 -2.39 105.19 106.64 2c9b n GLY 47 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 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 5.64 -0.05 0.99 1.43 -0.35 -4.74 118.68 121.60 2c9b s LEU 48 Ca 0.00 -1.42 -0.19 0.00 -1.03 0.00 0.00 54.13 51.49 2c9b s LEU 48 Cb 0.00 -2.26 -0.13 0.00 0.03 0.00 0.00 46.19 43.82 2c9b s LEU 48 CO 0.00 -0.86 0.80 0.44 0.23 0.00 0.00 176.35 176.96 2c9b h ASP 49 N 8.93 -0.25 -3.65 2.29 5.19 -1.87 -3.16 116.42 123.90 2c9b h ASP 49 Ca -0.29 -0.25 -0.63 0.00 -0.62 0.00 0.00 57.03 55.25 2c9b h ASP 49 Cb 1.10 0.07 -0.41 0.00 0.18 0.00 0.00 39.33 40.26 2c9b h ASP 49 CO 0.99 0.26 -0.63 -0.62 -3.12 0.00 0.00 179.24 176.12 2c9b s ASP 50 N -5.33 4.33 0.83 6.45 -1.08 -1.26 -4.85 116.67 115.76 2c9b s ASP 50 Ca -0.11 -3.34 -0.12 0.00 -0.52 0.00 0.00 52.55 48.46 2c9b s ASP 50 Cb 0.01 -1.52 0.09 0.00 -1.46 0.00 0.00 42.92 40.04 2c9b s ASP 50 CO 0.41 -0.17 1.12 -2.16 0.52 0.00 0.00 175.17 174.89 2c9b s PRO 51 N -0.71 1.80 -0.43 4.34 0.04 -1.26 -5.01 135.00 133.77 2c9b s PRO 51 Ca 0.21 0.40 -0.25 0.00 0.04 0.00 0.00 61.00 61.41 2c9b s PRO 51 Cb -0.15 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2c9b s PRO 51 CO -0.08 -1.77 0.88 0.99 0.04 0.00 0.00 177.00 177.06 2c9b s THR 52 N -3.29 4.56 -0.23 1.26 2.01 -1.04 -4.98 115.64 113.94 2c9b s THR 52 Ca 0.62 0.77 -0.06 0.00 0.31 0.00 0.00 61.69 63.33 2c9b s THR 52 Cb -0.14 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 67.99 2c9b s THR 52 CO 0.53 -0.71 0.02 -0.69 -0.69 0.00 0.00 174.62 173.07 2c9b s VAL 53 N 3.53 3.89 -0.04 3.82 1.01 -1.26 -0.23 120.40 131.12 2c9b s VAL 53 Ca 0.35 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.07 2c9b s VAL 53 Cb -0.11 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 2c9b s VAL 53 CO 0.23 0.39 -0.21 -0.69 0.00 0.00 0.00 175.10 174.82 2c9b s VAL 54 N 1.46 1.67 0.06 2.92 1.01 -0.41 -5.01 120.40 122.11 2c9b s VAL 54 Ca 0.05 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2c9b s VAL 54 Cb -0.15 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2c9b s VAL 54 CO 0.01 0.47 0.11 -0.13 0.00 0.00 0.00 175.10 175.56 2c9b s ARG 55 N -0.18 3.03 0.30 2.72 1.81 -1.26 -1.86 118.95 123.50 2c9b s ARG 55 Ca -0.00 -0.60 0.02 0.00 -1.72 0.00 0.00 55.73 53.43 2c9b s ARG 55 Cb -0.11 -2.82 -0.05 0.00 -0.45 0.00 0.00 34.95 31.53 2c9b s ARG 55 CO 0.02 0.59 0.11 0.14 -0.68 0.00 0.00 175.30 175.48 2c9b s VAL 56 N -1.38 0.58 -0.12 3.52 -7.23 -1.06 -4.94 120.40 109.78 2c9b s VAL 56 Ca 0.29 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.23 2c9b s VAL 56 Cb -0.12 -2.59 -0.21 0.00 0.56 0.00 0.00 36.38 34.02 2c9b s VAL 56 CO 0.22 0.00 0.69 0.25 -0.31 0.00 0.00 175.10 175.94 2c9b h LEU 57 N 2.23 -0.01 -9.56 1.32 5.85 -1.93 0.31 115.31 113.51 2c9b h LEU 57 Ca -0.37 -0.75 -0.58 0.00 0.84 0.00 0.00 57.88 57.01 2c9b h LEU 57 Cb 1.25 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.15 2c9b h LEU 57 CO 0.59 0.84 -0.52 -0.83 -0.34 0.00 0.00 178.44 178.18 2c9b s GLY 58 N -3.97 2.69 0.16 3.75 0.00 -1.26 -2.03 107.32 106.65 2c9b s GLY 58 Ca -0.15 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.47 2c9b s GLY 58 CO 0.56 -1.91 1.37 0.00 0.00 0.00 0.00 173.10 173.12 2c9b h ALA 59 N 1.70 0.49 -0.23 3.20 0.00 -1.94 -3.05 119.26 119.43 2c9b h ALA 59 Ca -0.37 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 53.87 2c9b h ALA 59 Cb 1.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2c9b h ALA 59 CO 0.61 0.84 0.15 0.82 0.00 0.00 0.00 179.25 181.67 2c9b h ILE 60 N 0.19 1.02 0.00 0.00 1.08 -1.97 -2.33 117.51 115.50 2c9b h ILE 60 Ca -0.05 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 2c9b h ILE 60 Cb 1.48 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 2c9b h ILE 60 CO 0.14 0.04 0.00 -0.62 -0.69 0.00 0.00 178.15 177.03 2c9b n GLU 61 N -4.50 0.24 -0.03 2.37 4.71 -1.15 -4.10 120.64 118.17 2c9b n GLU 61 Ca 0.01 0.09 -0.14 0.00 -0.01 0.00 0.00 57.16 57.12 2c9b n GLU 61 Cb 0.13 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 28.95 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 0.00 1.53 -0.99 -3.67 2.04 -1.52 -3.31 117.51 111.58 2c9b h ILE 62 Ca 0.00 -1.64 0.13 0.00 1.00 0.00 0.00 64.86 64.35 2c9b h ILE 62 Cb 0.24 2.60 -0.09 0.00 -0.74 0.00 0.00 36.82 38.84 2c9b h ILE 62 CO 0.00 0.43 0.63 -0.65 0.00 0.00 0.00 178.15 178.56 2c9b h PRO 63 N -0.60 0.91 -0.08 2.37 0.11 -1.77 -0.17 132.00 132.78 2c9b h PRO 63 Ca -0.00 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.91 2c9b h PRO 63 Cb 0.74 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 2c9b h PRO 63 CO 0.01 0.60 -0.58 -0.24 -0.21 0.00 0.00 178.00 177.58 2c9b h VAL 64 N 0.94 1.38 0.01 3.15 3.04 -1.83 -1.35 116.25 121.58 2c9b h VAL 64 Ca 0.50 -1.93 -0.20 0.00 -1.01 0.00 0.00 66.70 64.06 2c9b h VAL 64 Cb 0.56 1.96 -0.01 0.00 -2.01 0.00 0.00 31.29 31.80 2c9b h VAL 64 CO -0.27 0.57 -0.90 0.58 -1.01 0.00 0.00 177.57 176.54 2c9b h VAL 65 N 0.18 1.49 -0.01 1.51 2.07 -1.50 -3.14 116.25 116.85 2c9b h VAL 65 Ca -0.00 -2.64 -0.09 0.00 0.82 0.00 0.00 66.70 64.79 2c9b h VAL 65 Cb 1.08 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 2c9b h VAL 65 CO 0.09 0.77 -0.41 0.00 0.02 0.00 0.00 177.57 178.04 2c9b h ALA 66 N 0.94 1.30 -0.36 1.67 0.00 -0.89 -2.23 119.26 119.68 2c9b h ALA 66 Ca -0.05 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2c9b h ALA 66 Cb 1.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2c9b h ALA 66 CO 0.14 0.52 -0.29 0.37 0.00 0.00 0.00 179.25 179.99 2c9b h GLN 67 N 0.02 0.76 -0.20 0.00 4.15 -1.22 -2.20 115.11 116.43 2c9b h GLN 67 Ca -0.00 -0.34 -0.21 0.00 0.77 0.00 0.00 58.65 58.87 2c9b h GLN 67 Cb 0.74 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.41 2c9b h GLN 67 CO 0.05 0.96 -0.68 1.49 -1.93 0.00 0.00 178.83 178.72 2c9b h GLU 68 N 0.65 0.81 -0.43 1.69 4.57 -1.49 -3.23 114.58 117.15 2c9b h GLU 68 Ca 0.08 -0.61 -0.03 0.00 -1.18 0.00 0.00 59.36 57.62 2c9b h GLU 68 Cb 0.81 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 2c9b h GLU 68 CO 0.07 1.22 0.15 -0.07 -1.18 0.00 0.00 179.01 179.20 2c9b h LEU 69 N 0.55 0.56 -2.24 1.64 3.38 -1.32 -2.90 115.31 114.98 2c9b h LEU 69 Ca -0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2c9b h LEU 69 Cb 1.30 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2c9b h LEU 69 CO 0.14 0.52 -0.06 0.00 0.09 0.00 0.00 178.44 179.14 2c9b h ALA 70 N 1.56 1.29 0.00 1.53 0.00 -1.41 -2.61 119.26 119.63 2c9b h ALA 70 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2c9b h ALA 70 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2c9b h ALA 70 CO -0.01 0.07 0.00 0.54 0.00 0.00 0.00 179.25 179.85 2c9b n ARG 71 N -3.58 0.14 0.00 0.00 1.74 -1.10 -3.73 116.66 110.14 2c9b n ARG 71 Ca -0.02 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2c9b n ARG 71 Cb 0.17 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.35 0.00 -4.31 0.55 4.05 -1.00 -5.11 115.26 108.09 2c9b n ASN 72 Ca 0.06 -1.00 -0.17 0.00 0.45 0.00 0.00 54.58 53.92 2c9b n ASN 72 Cb 0.13 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 41.04 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 0.00 1.52 -0.37 1.20 3.76 -1.08 -4.98 115.29 115.35 2c9b s HIS 73 Ca 0.00 -0.67 0.23 0.00 -0.15 0.00 0.00 55.06 54.47 2c9b s HIS 73 Cb 0.00 -0.75 0.10 0.00 1.11 0.00 0.00 32.58 33.04 2c9b s HIS 73 CO 0.00 0.22 1.12 -0.44 -0.85 0.00 0.00 174.74 174.79 2c9b h ASP 74 N 2.64 0.00 -4.95 1.40 3.32 -0.81 -3.45 116.42 114.57 2c9b h ASP 74 Ca -0.37 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 2c9b h ASP 74 Cb 1.21 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.56 2c9b h ASP 74 CO 0.63 0.04 0.02 0.00 -1.72 0.00 0.00 179.24 178.21 2c9b s ALA 75 N -3.30 -1.41 -0.03 3.45 0.00 -1.12 -4.37 121.76 114.98 2c9b s ALA 75 Ca 0.02 0.99 0.03 0.00 0.00 0.00 0.00 51.96 53.00 2c9b s ALA 75 Cb 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 2c9b s ALA 75 CO 0.77 -0.33 -0.12 0.08 0.00 0.00 0.00 175.76 176.16 2c9b s VAL 76 N -1.17 1.04 -0.17 0.00 1.01 -0.98 -1.90 120.40 118.22 2c9b s VAL 76 Ca -0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 2c9b s VAL 76 Cb -0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 2c9b s VAL 76 CO 0.08 0.31 -0.06 -0.69 0.00 0.00 0.00 175.10 174.74 2c9b s VAL 77 N 0.04 3.56 -0.18 2.92 1.01 0.15 -1.29 120.40 126.60 2c9b s VAL 77 Ca -0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2c9b s VAL 77 Cb -0.09 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2c9b s VAL 77 CO 0.01 0.47 0.03 0.00 0.00 0.00 0.00 175.10 175.61 2c9b s ALA 78 N 0.74 3.23 -0.01 5.51 0.00 -0.71 -0.40 121.76 130.12 2c9b s ALA 78 Ca -0.02 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2c9b s ALA 78 Cb -0.15 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 2c9b s ALA 78 CO 0.02 0.09 -0.12 -0.51 0.00 0.00 0.00 175.76 175.24 2c9b s LEU 79 N 0.56 1.99 0.00 0.00 1.43 -0.34 -0.76 118.68 121.56 2c9b s LEU 79 Ca 0.01 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2c9b s LEU 79 Cb -0.13 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.46 2c9b s LEU 79 CO 0.02 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.34 2c9b n GLY 80 N 2.87 -0.93 2.79 -3.19 0.00 -1.14 -1.62 105.19 103.97 2c9b n GLY 80 Ca -0.15 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.06 -0.22 1.61 1.01 -1.26 -0.35 120.40 119.13 2c9b s VAL 81 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2c9b s VAL 81 Cb 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 36.38 36.33 2c9b s VAL 81 CO 0.00 0.09 -0.05 -0.69 0.00 0.00 0.00 175.10 174.46 2c9b s VAL 82 N 1.14 1.37 -0.13 2.92 1.01 0.33 -4.90 120.40 122.14 2c9b s VAL 82 Ca -0.09 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 2c9b s VAL 82 Cb -0.13 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2c9b s VAL 82 CO -0.03 -0.07 0.01 -0.63 0.00 0.00 0.00 175.10 174.37 2c9b s ILE 83 N 1.48 4.36 0.35 2.22 1.01 -1.26 -1.86 121.20 127.50 2c9b s ILE 83 Ca -0.04 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.12 2c9b s ILE 83 Cb -0.18 -2.90 -0.10 0.00 0.01 0.00 0.00 42.46 39.29 2c9b s ILE 83 CO -0.07 0.53 1.37 -0.60 0.00 0.00 0.00 174.94 176.17 2c9b s ARG 84 N -0.18 4.23 0.00 2.79 3.52 -0.77 -4.96 118.95 123.58 2c9b s ARG 84 Ca 0.05 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 57.98 2c9b s ARG 84 Cb -0.12 -3.00 0.00 0.00 -1.56 0.00 0.00 34.95 30.26 2c9b s ARG 84 CO 0.02 -0.34 0.00 0.41 -0.81 0.00 0.00 175.30 174.58 2c9b n GLY 85 N 0.67 4.05 0.02 8.12 0.00 -1.26 -4.92 105.19 111.88 2c9b n GLY 85 Ca 0.01 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.37 2c9b n GLY 85 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2c9b n GLN 86 N 0.00 0.30 -4.37 1.61 -0.06 -1.26 -4.95 117.38 108.65 2c9b n GLN 86 Ca 0.00 -0.03 -0.24 0.00 -2.00 0.00 0.00 57.00 54.73 2c9b n GLN 86 Cb 0.00 -1.57 -0.09 0.00 -4.06 0.00 0.00 30.24 24.52 2c9b n GLN 86 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2c9b s THR 87 N -3.21 3.00 -1.85 1.69 -4.23 -1.26 -5.01 115.64 104.77 2c9b s THR 87 Ca 0.03 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2c9b s THR 87 Cb 0.15 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2c9b s THR 87 CO 0.83 -0.34 0.46 -2.65 -0.54 0.00 0.00 174.62 172.37 2c9b n PRO 88 N -0.64 0.00 -0.41 3.99 -0.02 -1.26 -3.61 135.00 133.05 2c9b n PRO 88 Ca -0.07 0.00 0.34 0.00 -2.02 0.00 0.00 63.50 61.75 2c9b n PRO 88 Cb 0.59 -1.50 0.64 0.00 -0.02 0.00 0.00 33.50 33.21 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 0.42 -0.17 6.00 2.76 -1.97 -2.27 115.15 119.92 2c9b h HIS 89 Ca 0.00 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 2c9b h HIS 89 Cb 0.00 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 28.79 2c9b h HIS 89 CO 0.00 -0.07 -0.21 0.35 -1.30 0.00 0.00 177.93 176.70 2c9b h PHE 90 N 0.15 -0.54 -0.79 5.26 3.57 -1.93 -2.69 116.94 119.98 2c9b h PHE 90 Ca 0.72 0.03 0.07 0.00 3.53 0.00 0.00 57.97 62.32 2c9b h PHE 90 Cb 2.31 0.26 -0.06 0.00 2.79 0.00 0.00 35.95 41.25 2c9b h PHE 90 CO -0.00 -0.28 0.46 -0.44 -2.23 0.00 0.00 178.31 175.82 2c9b h ASP 91 N -0.24 0.69 0.55 0.41 5.19 -1.74 -2.89 116.42 118.39 2c9b h ASP 91 Ca 0.11 0.03 -0.21 0.00 -0.62 0.00 0.00 57.03 56.34 2c9b h ASP 91 Cb 0.41 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 2c9b h ASP 91 CO -0.31 0.43 -0.93 1.88 -3.12 0.00 0.00 179.24 177.19 2c9b h TYR 92 N 0.82 0.37 -0.38 4.55 0.05 -1.60 -0.33 116.97 120.45 2c9b h TYR 92 Ca 0.36 -0.21 -0.12 0.00 0.05 0.00 0.00 58.73 58.81 2c9b h TYR 92 Cb 0.25 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2c9b h TYR 92 CO -0.06 1.04 -0.25 0.28 -1.05 0.00 0.00 178.16 178.12 2c9b h VAL 93 N 0.13 1.27 -0.25 -2.88 2.07 -1.44 -2.75 116.25 112.40 2c9b h VAL 93 Ca -0.06 -1.38 -0.15 0.00 0.82 0.00 0.00 66.70 65.94 2c9b h VAL 93 Cb 1.57 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2c9b h VAL 93 CO 0.15 0.46 -0.45 0.00 0.02 0.00 0.00 177.57 177.74 2c9b h ASP 95 N 0.51 0.42 -0.65 0.00 3.32 -0.96 -2.08 116.42 116.98 2c9b h ASP 95 Ca 0.03 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 2c9b h ASP 95 Cb 0.98 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 2c9b h ASP 95 CO 0.09 0.35 0.29 0.00 -1.72 0.00 0.00 179.24 178.25 2c9b h ALA 96 N 1.09 0.84 -0.62 3.45 0.00 -1.54 -1.43 119.26 121.05 2c9b h ALA 96 Ca 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2c9b h ALA 96 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2c9b h ALA 96 CO -0.02 0.43 0.24 0.28 0.00 0.00 0.00 179.25 180.17 2c9b h VAL 97 N 0.90 1.24 -0.13 0.00 2.07 -1.45 -0.74 116.25 118.14 2c9b h VAL 97 Ca 0.22 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2c9b h VAL 97 Cb 0.16 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2c9b h VAL 97 CO -0.02 0.29 0.07 0.74 0.02 0.00 0.00 177.57 178.67 2c9b h THR 98 N 0.87 1.10 -0.12 2.57 2.02 -1.14 -2.48 112.91 115.73 2c9b h THR 98 Ca 0.21 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2c9b h THR 98 Cb 0.22 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2c9b h THR 98 CO -0.01 0.09 -0.01 1.56 0.37 0.00 0.00 175.52 177.52 2c9b h GLN 99 N 0.10 0.21 0.38 6.66 4.20 -1.19 -3.08 115.11 122.39 2c9b h GLN 99 Ca 0.04 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2c9b h GLN 99 Cb 0.08 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2c9b h GLN 99 CO -0.01 0.47 -0.19 0.78 -0.67 0.00 0.00 178.83 179.21 2c9b h GLY 100 N -0.07 -0.55 1.05 3.46 0.00 -1.16 -2.49 103.07 103.31 2c9b h GLY 100 Ca 0.03 0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.53 2c9b h GLY 100 CO 0.01 -0.20 0.35 1.41 0.00 0.00 0.00 176.54 178.11 2c9b h LEU 101 N -0.53 1.11 -0.92 3.11 3.38 -1.56 -1.12 115.31 118.79 2c9b h LEU 101 Ca -0.05 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2c9b h LEU 101 Cb 0.41 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2c9b h LEU 101 CO 0.07 0.96 0.09 0.74 0.09 0.00 0.00 178.44 180.39 2c9b h THR 102 N 1.19 1.24 -0.03 0.22 2.02 -1.52 -1.66 112.91 114.37 2c9b h THR 102 Ca 0.28 -0.92 -0.19 0.00 0.77 0.00 0.00 66.41 66.34 2c9b h THR 102 Cb 0.18 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2c9b h THR 102 CO -0.03 0.34 -0.81 -0.09 0.37 0.00 0.00 175.52 175.31 2c9b h ARG 103 N 0.84 0.29 -0.27 6.66 2.43 -1.13 -3.20 114.38 120.00 2c9b h ARG 103 Ca 0.17 -0.27 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 2c9b h ARG 103 Cb 0.37 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2c9b h ARG 103 CO 0.01 0.95 -0.22 0.28 -1.51 0.00 0.00 179.97 179.48 2c9b h VAL 104 N 0.18 1.31 -0.97 0.20 2.07 -0.95 -2.02 116.25 116.08 2c9b h VAL 104 Ca -0.04 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.13 2c9b h VAL 104 Cb 1.40 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.71 2c9b h VAL 104 CO 0.13 0.43 0.63 0.77 0.02 0.00 0.00 177.57 179.56 2c9b h SER 105 N 0.36 1.07 0.64 0.57 4.64 -1.38 -2.21 113.55 117.25 2c9b h SER 105 Ca 0.05 -0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.08 2c9b h SER 105 Cb 0.77 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2c9b h SER 105 CO 0.06 0.75 -1.27 -0.07 -0.87 0.00 0.00 176.83 175.43 2c9b h LEU 106 N 1.25 0.36 -0.90 5.97 3.38 -1.57 -1.04 115.31 122.77 2c9b h LEU 106 Ca 0.37 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2c9b h LEU 106 Cb -0.05 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2c9b h LEU 106 CO -0.11 1.32 0.59 0.44 0.09 0.00 0.00 178.44 180.77 2c9b h ASP 107 N 0.06 1.04 -0.01 -0.43 3.45 -1.23 -3.20 116.42 116.11 2c9b h ASP 107 Ca -0.14 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.29 2c9b h ASP 107 Cb 1.96 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 40.47 2c9b h ASP 107 CO 0.19 0.76 -0.70 -1.54 -1.57 0.00 0.00 179.24 176.38 2c9b n SER 108 N -4.45 1.35 -3.75 6.45 3.41 -0.84 -4.99 113.62 110.80 2c9b n SER 108 Ca 0.10 -1.17 -0.23 0.00 -0.26 0.00 0.00 58.87 57.30 2c9b n SER 108 Cb 0.02 0.77 0.03 0.00 -0.26 0.00 0.00 64.21 64.77 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 -0.84 -1.66 -3.93 4.04 7.64 -0.49 -5.01 113.62 113.37 2c9b n SER 109 Ca 0.06 -0.83 -0.19 0.00 1.01 0.00 0.00 58.87 58.92 2c9b n SER 109 Cb 0.36 -3.97 -0.16 0.00 -1.01 0.00 0.00 64.21 59.43 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 -3.63 0.56 0.13 0.44 2.01 -0.64 -5.04 115.64 109.46 2c9b s THR 110 Ca 0.10 -0.20 -0.31 0.00 0.31 0.00 0.00 61.69 61.59 2c9b s THR 110 Cb -0.05 -0.54 -0.09 0.00 0.01 0.00 0.00 72.50 71.83 2c9b s THR 110 CO 0.82 0.20 1.44 -2.16 -0.69 0.00 0.00 174.62 174.23 2c9b s PRO 111 N 0.49 4.29 -0.31 4.92 0.04 -1.26 -4.36 135.00 138.81 2c9b s PRO 111 Ca -0.07 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.15 2c9b s PRO 111 Cb -0.10 -3.22 0.07 0.00 0.04 0.00 0.00 34.50 31.29 2c9b s PRO 111 CO 0.00 -0.49 -0.01 0.42 0.04 0.00 0.00 177.00 176.97 2c9b s ILE 112 N 1.10 2.56 0.11 0.56 -1.09 -1.26 -2.32 121.20 120.85 2c9b s ILE 112 Ca 0.66 -1.78 -0.30 0.00 -2.23 0.00 0.00 60.65 57.00 2c9b s ILE 112 Cb -0.39 -2.61 -0.07 0.00 -1.58 0.00 0.00 42.46 37.81 2c9b s ILE 112 CO 0.31 -0.26 1.22 0.00 -1.23 0.00 0.00 174.94 174.98 2c9b s ALA 113 N 1.10 3.43 -0.88 9.38 0.00 -0.41 -4.95 121.76 129.43 2c9b s ALA 113 Ca -0.01 0.91 -0.15 0.00 0.00 0.00 0.00 51.96 52.70 2c9b s ALA 113 Cb -0.20 -3.45 0.19 0.00 0.00 0.00 0.00 23.12 19.66 2c9b s ALA 113 CO -0.04 -0.43 0.92 1.21 0.00 0.00 0.00 175.76 177.41 2c9b s ASN 114 N 0.78 6.74 -0.49 0.00 3.84 -1.26 -1.74 114.94 122.81 2c9b s ASN 114 Ca 0.58 -2.51 0.03 0.00 0.21 0.00 0.00 52.86 51.17 2c9b s ASN 114 Cb -0.31 -2.28 0.49 0.00 -0.55 0.00 0.00 41.25 38.59 2c9b s ASN 114 CO 0.31 -0.74 1.71 0.61 -2.79 0.00 0.00 177.10 176.21 2c9b n GLY 115 N 4.46 5.71 3.48 1.21 0.00 0.06 -4.94 105.19 115.16 2c9b n GLY 115 Ca 0.18 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 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 -4.35 5.05 0.37 1.61 1.01 -1.24 -2.87 120.40 119.98 2c9b s VAL 116 Ca 0.57 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 2c9b s VAL 116 Cb 0.46 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 2c9b s VAL 116 CO 0.02 -0.50 1.20 -0.76 0.00 0.00 0.00 175.10 175.06 2c9b s LEU 117 N 2.23 4.28 -0.21 3.92 1.43 0.52 -4.91 118.68 125.94 2c9b s LEU 117 Ca 0.13 2.42 -0.03 0.00 -1.03 0.00 0.00 54.13 55.63 2c9b s LEU 117 Cb -0.17 -3.90 0.07 0.00 0.03 0.00 0.00 46.19 42.22 2c9b s LEU 117 CO 0.13 -0.60 0.05 0.42 0.23 0.00 0.00 176.35 176.58 2c9b s THR 118 N -1.32 0.54 0.25 5.49 -4.23 -1.26 -0.51 115.64 114.60 2c9b s THR 118 Ca 0.54 -0.68 0.05 0.00 -1.18 0.00 0.00 61.69 60.43 2c9b s THR 118 Cb -0.33 -1.11 -0.05 0.00 1.34 0.00 0.00 72.50 72.34 2c9b s THR 118 CO 0.42 -0.29 -0.04 0.42 -0.54 0.00 0.00 174.62 174.59 2c9b s THR 119 N 1.84 1.39 -0.08 3.99 -4.23 -0.78 -5.01 115.64 112.76 2c9b s THR 119 Ca 0.01 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 2c9b s THR 119 Cb -0.17 -2.37 -0.25 0.00 1.34 0.00 0.00 72.50 71.05 2c9b s THR 119 CO -0.12 -0.34 0.52 0.78 -0.54 0.00 0.00 174.62 174.93 2c9b h ASN 120 N 2.38 0.28 -2.06 3.99 2.35 -1.93 -2.05 115.58 118.53 2c9b h ASN 120 Ca -0.39 -0.59 -0.61 0.00 -0.55 0.00 0.00 56.30 54.16 2c9b h ASN 120 Cb 1.23 -0.09 -0.13 0.00 0.05 0.00 0.00 38.32 39.37 2c9b h ASN 120 CO 0.66 1.52 -0.71 0.42 -1.65 0.00 0.00 177.43 177.67 2c9b s THR 121 N -2.58 2.39 0.28 2.81 -4.23 -1.26 -4.32 115.64 108.73 2c9b s THR 121 Ca -0.15 -2.27 0.05 0.00 -1.18 0.00 0.00 61.69 58.14 2c9b s THR 121 Cb 0.07 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.43 2c9b s THR 121 CO 0.80 -0.29 1.68 -0.08 -0.54 0.00 0.00 174.62 176.19 2c9b h GLU 122 N 2.11 0.28 0.00 3.99 4.81 -1.96 -2.96 114.58 120.85 2c9b h GLU 122 Ca -0.41 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 2c9b h GLU 122 Cb 1.25 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2c9b h GLU 122 CO 0.66 0.65 -0.20 1.49 -0.73 0.00 0.00 179.01 180.88 2c9b h GLU 123 N 0.23 0.00 0.08 1.92 4.22 -2.00 -2.25 114.58 116.79 2c9b h GLU 123 Ca 0.02 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.18 2c9b h GLU 123 Cb 0.84 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.11 2c9b h GLU 123 CO 0.07 0.20 -1.16 1.96 -2.18 0.00 0.00 179.01 177.90 2c9b h GLN 124 N 0.00 0.54 -0.07 1.92 4.20 -1.94 -2.99 115.11 116.78 2c9b h GLN 124 Ca -0.00 -0.69 -0.10 0.00 0.06 0.00 0.00 58.65 57.91 2c9b h GLN 124 Cb 0.45 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2c9b h GLN 124 CO 0.03 1.29 -0.44 0.00 -0.67 0.00 0.00 178.83 179.04 2c9b h ALA 125 N 0.44 1.15 -0.44 3.87 0.00 -1.47 -2.93 119.26 119.89 2c9b h ALA 125 Ca -0.15 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 2c9b h ALA 125 Cb 1.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2c9b h ALA 125 CO 0.21 0.59 -0.19 -0.07 0.00 0.00 0.00 179.25 179.79 2c9b h LEU 126 N 0.12 0.87 -1.13 0.00 3.38 -1.47 -3.13 115.31 113.95 2c9b h LEU 126 Ca 0.01 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2c9b h LEU 126 Cb 0.82 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2c9b h LEU 126 CO 0.06 1.04 -0.08 -0.78 0.09 0.00 0.00 178.44 178.78 2c9b h ASP 127 N 0.75 0.00 -0.42 -0.43 3.58 -1.36 -3.00 116.42 115.54 2c9b h ASP 127 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2c9b h ASP 127 Cb 0.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2c9b h ASP 127 CO 0.06 0.08 0.00 0.54 -2.88 0.00 0.00 179.24 177.03 2c9b n ARG 128 N -3.18 2.73 -0.03 0.28 1.74 -1.18 -1.62 116.66 115.40 2c9b n ARG 128 Ca 0.01 -2.16 -0.10 0.00 -0.77 0.00 0.00 57.85 54.83 2c9b n ARG 128 Cb 0.38 -1.34 -0.14 0.00 -1.02 0.00 0.00 32.46 30.34 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 0.81 1.44 0.00 7.54 0.00 -1.13 -1.30 120.51 127.86 2c9b n ALA 129 Ca 0.15 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2c9b n ALA 129 Cb 0.47 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 1.63 0.91 3.89 0.00 0.00 -0.81 -4.10 105.19 106.71 2c9b n GLY 130 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 2.44 0.55 0.99 2.01 -1.26 -4.91 118.68 118.50 2c9b s LEU 131 Ca 0.00 0.80 0.39 0.00 0.01 0.00 0.00 54.13 55.33 2c9b s LEU 131 Cb 0.00 -3.26 1.57 0.00 0.01 0.00 0.00 46.19 44.51 2c9b s LEU 131 CO 0.00 -2.01 1.73 -0.65 1.01 0.00 0.00 176.35 176.44 2c9b h PRO 132 N -1.13 0.00 0.00 1.29 0.11 -2.00 -1.61 132.00 128.67 2c9b h PRO 132 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2c9b h PRO 132 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2c9b h PRO 132 CO 0.65 0.00 -0.00 0.25 -0.21 0.00 0.00 178.00 178.69 2c9b n THR 133 N -4.06 1.16 -1.74 -1.15 -2.24 -1.26 -5.07 114.28 99.93 2c9b n THR 133 Ca 0.29 -1.24 -0.32 0.00 -2.27 0.00 0.00 64.05 60.50 2c9b n THR 133 Cb 1.42 0.35 0.04 0.00 -2.10 0.00 0.00 70.33 70.05 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 -1.38 5.21 0.11 3.42 0.01 -0.61 -4.98 113.70 115.48 2c9b s SER 134 Ca 0.07 1.89 -0.08 0.00 1.31 0.00 0.00 55.95 59.14 2c9b s SER 134 Cb 0.06 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.62 2c9b s SER 134 CO 0.01 -1.56 1.28 0.00 0.41 0.00 0.00 173.24 173.37 2c9b h ALA 135 N -0.12 0.30 -2.83 1.44 0.00 -1.64 -3.47 119.26 112.95 2c9b h ALA 135 Ca -0.46 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 53.68 2c9b h ALA 135 Cb 1.23 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 2c9b h ALA 135 CO 0.55 0.75 -0.15 -1.83 0.00 0.00 0.00 179.25 178.57 2c9b s GLU 136 N -3.36 1.57 -0.32 0.00 -1.05 -0.89 -5.06 118.70 109.59 2c9b s GLU 136 Ca -0.08 -1.32 -0.00 0.00 -0.15 0.00 0.00 54.97 53.42 2c9b s GLU 136 Cb 0.08 0.46 0.10 0.00 -0.44 0.00 0.00 34.13 34.33 2c9b s GLU 136 CO 0.89 -0.65 0.11 0.34 0.95 0.00 0.00 175.26 176.89 2c9b s ASP 137 N -3.05 4.04 0.37 0.83 2.15 -1.26 -1.93 116.67 117.82 2c9b s ASP 137 Ca 0.24 -1.74 0.25 0.00 0.43 0.00 0.00 52.55 51.73 2c9b s ASP 137 Cb -0.00 -0.91 0.58 0.00 -0.30 0.00 0.00 42.92 42.28 2c9b s ASP 137 CO 0.10 -0.40 1.69 0.11 -0.17 0.00 0.00 175.17 176.50 2c9b h LYS 138 N 7.96 0.00 -0.23 4.34 1.57 -1.41 -2.96 116.57 125.82 2c9b h LYS 138 Ca -0.12 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2c9b h LYS 138 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2c9b h LYS 138 CO 0.47 0.00 0.10 0.78 -0.57 0.00 0.00 179.45 180.23 2c9b h GLY 139 N 3.97 0.37 1.23 3.86 0.00 -1.80 -1.80 103.07 108.90 2c9b h GLY 139 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 2c9b h GLY 139 CO 0.00 0.19 0.11 0.00 0.00 0.00 0.00 176.54 176.84 2c9b h ALA 140 N 0.94 1.07 -0.64 3.60 0.00 -1.72 -3.04 119.26 119.46 2c9b h ALA 140 Ca 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2c9b h ALA 140 Cb 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2c9b h ALA 140 CO -0.01 0.61 0.25 1.96 0.00 0.00 0.00 179.25 182.06 2c9b h GLN 141 N 0.90 0.94 -0.34 0.00 4.20 -1.36 -2.55 115.11 116.90 2c9b h GLN 141 Ca 0.19 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 2c9b h GLN 141 Cb 0.38 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2c9b h GLN 141 CO 0.01 0.77 -0.11 0.00 -0.67 0.00 0.00 178.83 178.83 2c9b h ALA 142 N 1.35 0.47 -0.40 3.87 0.00 -1.23 -2.56 119.26 120.76 2c9b h ALA 142 Ca 0.22 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2c9b h ALA 142 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2c9b h ALA 142 CO -0.02 0.34 0.18 1.15 0.00 0.00 0.00 179.25 180.89 2c9b h THR 143 N 0.45 1.18 -0.56 0.00 2.02 -1.43 -0.95 112.91 113.63 2c9b h THR 143 Ca 0.08 -0.55 0.06 0.00 0.77 0.00 0.00 66.41 66.77 2c9b h THR 143 Cb 0.62 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2c9b h THR 143 CO 0.04 0.20 0.37 0.58 0.37 0.00 0.00 175.52 177.08 2c9b h VAL 144 N 0.50 1.00 -0.36 3.16 2.07 -1.47 -0.03 116.25 121.12 2c9b h VAL 144 Ca 0.14 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 2c9b h VAL 144 Cb 0.15 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2c9b h VAL 144 CO -0.01 0.10 -0.35 0.00 0.02 0.00 0.00 177.57 177.32 2c9b h ALA 145 N 1.69 0.52 -0.26 1.67 0.00 -0.96 -2.40 119.26 119.52 2c9b h ALA 145 Ca 0.24 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2c9b h ALA 145 Cb 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2c9b h ALA 145 CO -0.07 0.60 -0.30 0.00 0.00 0.00 0.00 179.25 179.48 2c9b h ALA 146 N 0.75 0.39 -0.35 0.00 0.00 -0.50 -2.89 119.26 116.66 2c9b h ALA 146 Ca 0.06 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 2c9b h ALA 146 Cb 0.94 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2c9b h ALA 146 CO 0.09 0.42 -0.38 -0.07 0.00 0.00 0.00 179.25 179.30 2c9b h LEU 147 N 0.39 0.94 -0.53 0.00 3.38 -1.08 -2.38 115.31 116.02 2c9b h LEU 147 Ca 0.04 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 2c9b h LEU 147 Cb 0.88 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2c9b h LEU 147 CO 0.07 1.22 -0.12 0.00 0.09 0.00 0.00 178.44 179.70 2c9b h ALA 148 N 0.74 0.73 -0.31 1.53 0.00 -1.51 -2.54 119.26 117.90 2c9b h ALA 148 Ca 0.05 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2c9b h ALA 148 Cb 0.97 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2c9b h ALA 148 CO 0.09 0.66 -0.34 1.15 0.00 0.00 0.00 179.25 180.81 2c9b h THR 149 N 0.90 1.28 -0.48 0.00 2.02 -1.52 -2.45 112.91 112.66 2c9b h THR 149 Ca 0.14 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 2c9b h THR 149 Cb 0.69 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2c9b h THR 149 CO 0.05 0.48 0.27 0.00 0.37 0.00 0.00 175.52 176.69 2c9b h ALA 150 N 1.04 0.62 -0.18 6.16 0.00 -1.33 -1.51 119.26 124.06 2c9b h ALA 150 Ca 0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2c9b h ALA 150 Cb 0.86 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2c9b h ALA 150 CO 0.07 0.13 -0.19 -0.07 0.00 0.00 0.00 179.25 179.20 2c9b h LEU 151 N 0.64 0.31 -0.06 0.00 3.38 -1.37 -1.79 115.31 116.42 2c9b h LEU 151 Ca 0.17 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2c9b h LEU 151 Cb 0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2c9b h LEU 151 CO -0.03 0.52 -0.02 0.74 0.09 0.00 0.00 178.44 179.74 2c9b h THR 152 N 0.29 1.31 -0.39 0.22 2.02 -1.13 -2.20 112.91 113.02 2c9b h THR 152 Ca 0.05 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 2c9b h THR 152 Cb 0.51 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 2c9b h THR 152 CO 0.03 0.27 0.22 -0.07 0.37 0.00 0.00 175.52 176.34 2c9b h LEU 153 N -0.25 0.47 -0.73 2.58 3.38 -1.16 -0.81 115.31 118.79 2c9b h LEU 153 Ca 0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2c9b h LEU 153 Cb 0.44 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2c9b h LEU 153 CO 0.01 0.38 0.37 -0.09 0.09 0.00 0.00 178.44 179.20 2c9b h ARG 154 N 0.54 1.05 -0.50 1.13 2.43 -1.23 -1.04 114.38 116.76 2c9b h ARG 154 Ca 0.14 -0.15 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2c9b h ARG 154 Cb 0.01 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2c9b h ARG 154 CO -0.02 0.81 -0.18 1.49 -1.51 0.00 0.00 179.97 180.55 2c9b h GLU 155 N 1.02 1.01 -0.05 0.20 4.57 -0.71 -3.23 114.58 117.39 2c9b h GLU 155 Ca 0.25 -0.41 -0.15 0.00 -1.18 0.00 0.00 59.36 57.87 2c9b h GLU 155 Cb 0.10 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2c9b h GLU 155 CO -0.03 1.09 -0.64 -0.07 -1.18 0.00 0.00 179.01 178.18 2c9b h LEU 156 N 0.87 0.24-10.76 1.64 3.38 -1.03 -3.47 115.31 106.19 2c9b h LEU 156 Ca 0.12 -0.14 -0.45 0.00 0.09 0.00 0.00 57.88 57.49 2c9b h LEU 156 Cb 0.76 -0.07 0.13 0.00 0.09 0.00 0.00 40.66 41.57 2c9b h LEU 156 CO 0.06 0.82 0.33 -0.13 0.09 0.00 0.00 178.44 179.61 2c9b s ARG 157 N -3.66 1.14 0.16 1.13 0.52 -0.41 -4.99 118.95 112.83 2c9b s ARG 157 Ca -0.03 -0.51 -0.31 0.00 -0.52 0.00 0.00 55.73 54.35 2c9b s ARG 157 Cb 0.12 -2.00 -0.10 0.00 0.52 0.00 0.00 34.95 33.49 2c9b s ARG 157 CO 0.80 -2.01 1.66 0.00 0.02 0.00 0.00 175.30 175.76 2c9b s ALA 158 N -3.63 3.81 -0.06 2.13 0.00 -1.26 -4.98 121.76 117.77 2c9b s ALA 158 Ca 0.70 1.42 -0.31 0.00 0.00 0.00 0.00 51.96 53.77 2c9b s ALA 158 Cb -0.05 -3.67 0.07 0.00 0.00 0.00 0.00 23.12 19.47 2c9b s ALA 158 CO 0.50 -0.92 0.69 -3.38 0.00 0.00 0.00 175.76 172.65 2c9b s HIS 159 N 1.55 -0.66 -2.00 0.00 -3.43 -1.26 -5.09 115.29 104.40 2c9b s HIS 159 Ca 0.73 1.15 0.24 0.00 -0.80 0.00 0.00 55.06 56.39 2c9b s HIS 159 Cb -0.45 0.40 1.44 0.00 -1.43 0.00 0.00 32.58 32.54 2c9b s HIS 159 CO 0.32 -0.59 1.81 -1.13 -2.00 0.00 0.00 174.74 173.14