#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 -0.43 1.05 -1.67 0.00 -1.26 -4.58 120.51 113.63 2c9b n ALA 15 Ca 0.00 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.73 2c9b n ALA 15 Cb 0.00 -1.85 0.08 0.00 0.00 0.00 0.00 19.45 17.68 2c9b n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2c9b n SER 16 N -1.10 1.94 0.01 0.00 3.41 -1.26 -4.27 113.62 112.35 2c9b n SER 16 Ca -0.19 -1.46 0.13 0.00 -0.26 0.00 0.00 58.87 57.09 2c9b n SER 16 Cb 0.63 0.37 0.43 0.00 -0.26 0.00 0.00 64.21 65.38 2c9b n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c9b n GLY 17 N 1.40 -1.41 3.73 5.00 0.00 -1.26 -4.87 105.19 107.78 2c9b n GLY 17 Ca 0.10 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 2c9b n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9b s VAL 18 N -3.02 4.63 -0.23 1.61 1.01 -1.26 -5.04 120.40 118.10 2c9b s VAL 18 Ca 0.12 1.92 -0.13 0.00 0.00 0.00 0.00 61.98 63.89 2c9b s VAL 18 Cb 0.18 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2c9b s VAL 18 CO 0.61 0.31 0.30 0.00 0.00 0.00 0.00 175.10 176.32 2c9b s ARG 19 N 0.14 4.10 -0.04 2.72 1.70 -1.26 -4.99 118.95 121.31 2c9b s ARG 19 Ca 0.45 -0.03 0.04 0.00 -0.47 0.00 0.00 55.73 55.73 2c9b s ARG 19 Cb -0.22 -3.57 -0.03 0.00 -0.57 0.00 0.00 34.95 30.57 2c9b s ARG 19 CO 0.27 -0.05 -0.16 -1.17 -1.08 0.00 0.00 175.30 173.11 2c9b s LEU 20 N 1.38 2.62 -0.03 -1.89 2.96 -1.26 -1.33 118.68 121.13 2c9b s LEU 20 Ca 0.13 -0.25 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 2c9b s LEU 20 Cb -0.15 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 2c9b s LEU 20 CO 0.07 0.34 -0.17 0.00 -1.32 0.00 0.00 176.35 175.27 2c9b s ALA 21 N -0.72 1.47 -0.11 5.97 0.00 -0.77 -1.87 121.76 125.72 2c9b s ALA 21 Ca 0.11 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2c9b s ALA 21 Cb -0.10 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.60 2c9b s ALA 21 CO 0.00 0.31 -0.16 0.42 0.00 0.00 0.00 175.76 176.34 2c9b s ILE 22 N -0.19 1.56 -0.16 0.00 1.01 0.65 -0.72 121.20 123.34 2c9b s ILE 22 Ca 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.00 2c9b s ILE 22 Cb -0.09 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.97 2c9b s ILE 22 CO 0.01 0.45 -0.19 0.54 0.00 0.00 0.00 174.94 175.75 2c9b s VAL 23 N 0.96 2.27 -0.06 2.92 0.11 -0.12 -1.34 120.40 125.14 2c9b s VAL 23 Ca -0.07 -0.89 0.03 0.00 -2.93 0.00 0.00 61.98 58.13 2c9b s VAL 23 Cb -0.15 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2c9b s VAL 23 CO -0.02 0.53 -0.15 0.00 -3.33 0.00 0.00 175.10 172.13 2c9b s ALA 24 N 1.04 1.43 0.92 1.54 0.00 -0.94 -1.08 121.76 124.66 2c9b s ALA 24 Ca -0.01 -0.57 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 2c9b s ALA 24 Cb -0.14 -0.55 0.14 0.00 0.00 0.00 0.00 23.12 22.57 2c9b s ALA 24 CO -0.06 0.20 1.15 -1.54 0.00 0.00 0.00 175.76 175.51 2c9b s SER 25 N 0.35 3.48 -0.09 0.00 1.04 -0.79 -2.19 113.70 115.50 2c9b s SER 25 Ca -0.10 0.87 0.12 0.00 0.48 0.00 0.00 55.95 57.32 2c9b s SER 25 Cb -0.14 -1.38 -0.17 0.00 0.10 0.00 0.00 66.02 64.43 2c9b s SER 25 CO 0.03 -2.56 0.12 -1.20 0.98 0.00 0.00 173.24 170.61 2c9b n SER 26 N -3.76 1.97 -4.69 7.02 7.64 -0.23 -4.81 113.62 116.76 2c9b n SER 26 Ca 0.08 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.39 2c9b n SER 26 Cb 0.59 1.06 -0.07 0.00 -1.01 0.00 0.00 64.21 64.78 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 -2.30 1.96 -1.77 1.43 -0.00 -0.90 -3.71 117.44 112.15 2c9b n TRP 27 Ca -0.14 0.56 -0.01 0.00 -0.00 0.00 0.00 57.50 57.90 2c9b n TRP 27 Cb 0.72 -2.44 -0.01 0.00 -0.00 0.00 0.00 31.31 29.59 2c9b n TRP 27 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 2c9b n HIS 28 N 4.89 -2.25 0.19 5.87 8.25 -1.26 -4.55 115.22 126.36 2c9b n HIS 28 Ca 0.25 1.33 -0.08 0.00 -0.26 0.00 0.00 57.72 58.96 2c9b n HIS 28 Cb 0.14 -2.80 -0.04 0.00 1.12 0.00 0.00 29.99 28.41 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 2.00 -0.55 0.05 -1.41 0.00 -1.98 -3.26 103.07 97.91 2c9b h GLY 29 Ca -0.09 0.20 0.11 0.00 0.00 0.00 0.00 47.33 47.55 2c9b h GLY 29 CO 0.00 -0.20 -0.04 0.50 0.00 0.00 0.00 176.54 176.80 2c9b h LYS 30 N -0.90 0.07 -0.20 4.80 1.57 -1.95 -3.11 116.57 116.85 2c9b h LYS 30 Ca -0.05 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 2c9b h LYS 30 Cb 0.41 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2c9b h LYS 30 CO 0.09 0.05 -0.39 0.82 -0.57 0.00 0.00 179.45 179.45 2c9b h ILE 31 N 0.07 1.33 -0.83 1.86 2.04 -1.95 -2.68 117.51 117.35 2c9b h ILE 31 Ca 0.27 -1.62 0.03 0.00 1.00 0.00 0.00 64.86 64.53 2c9b h ILE 31 Cb 0.41 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 2c9b h ILE 31 CO -0.48 0.50 0.54 0.00 0.00 0.00 0.00 178.15 178.71 2c9b h ASP 33 N 1.06 0.50 -0.00 0.00 5.19 -1.52 -1.46 116.42 120.18 2c9b h ASP 33 Ca 0.32 -0.12 -0.12 0.00 -0.62 0.00 0.00 57.03 56.49 2c9b h ASP 33 Cb -0.03 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 2c9b h ASP 33 CO -0.10 0.63 -0.37 0.00 -3.12 0.00 0.00 179.24 176.27 2c9b h ALA 34 N 1.43 0.94 -0.26 3.45 0.00 -0.98 -2.04 119.26 121.79 2c9b h ALA 34 Ca 0.09 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 2c9b h ALA 34 Cb 0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2c9b h ALA 34 CO 0.02 0.62 -0.27 -0.07 0.00 0.00 0.00 179.25 179.56 2c9b h LEU 35 N 0.42 0.69 -1.14 0.00 3.38 -0.78 -3.07 115.31 114.80 2c9b h LEU 35 Ca 0.04 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 2c9b h LEU 35 Cb 0.84 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2c9b h LEU 35 CO 0.07 1.02 -0.10 0.25 0.09 0.00 0.00 178.44 179.77 2c9b h LEU 36 N 0.37 0.46 0.02 1.67 5.85 -1.22 -2.51 115.31 119.95 2c9b h LEU 36 Ca 0.04 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2c9b h LEU 36 Cb 0.83 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2c9b h LEU 36 CO 0.07 0.60 -0.01 -0.78 -0.34 0.00 0.00 178.44 177.98 2c9b h ASP 37 N 0.45 -0.02 -0.91 1.25 -0.00 -1.36 0.37 116.42 116.20 2c9b h ASP 37 Ca 0.09 -0.15 0.01 0.00 -0.00 0.00 0.00 57.03 56.97 2c9b h ASP 37 Cb 0.45 0.01 -0.04 0.00 -0.00 0.00 0.00 39.33 39.74 2c9b h ASP 37 CO 0.02 0.14 0.60 1.23 -0.00 0.00 0.00 179.24 181.23 2c9b h GLY 38 N -0.19 1.28 0.97 -0.78 0.00 -1.48 -0.72 103.07 102.16 2c9b h GLY 38 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2c9b h GLY 38 CO 0.00 0.47 0.22 0.00 0.00 0.00 0.00 176.54 177.23 2c9b h ALA 39 N 1.43 0.49 -0.44 3.60 0.00 -1.24 -2.86 119.26 120.23 2c9b h ALA 39 Ca 0.33 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2c9b h ALA 39 Cb -0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2c9b h ALA 39 CO -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.17 2c9b h ARG 40 N 0.49 0.72 -0.31 0.00 3.08 -0.44 -2.83 114.38 115.10 2c9b h ARG 40 Ca 0.13 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2c9b h ARG 40 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2c9b h ARG 40 CO -0.02 0.74 0.14 0.87 -1.07 0.00 0.00 179.97 180.63 2c9b h LYS 41 N 0.67 0.44 -0.43 0.04 1.79 -1.06 -2.81 116.57 115.21 2c9b h LYS 41 Ca 0.13 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 2c9b h LYS 41 Cb 0.43 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 2c9b h LYS 41 CO 0.02 0.43 0.12 0.28 -1.08 0.00 0.00 179.45 179.22 2c9b h VAL 42 N 0.36 1.23 -0.28 0.50 2.07 -1.41 -2.07 116.25 116.64 2c9b h VAL 42 Ca 0.10 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2c9b h VAL 42 Cb 0.13 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2c9b h VAL 42 CO -0.01 0.27 0.18 0.00 0.02 0.00 0.00 177.57 178.03 2c9b h ALA 43 N 0.97 0.35 -0.37 1.67 0.00 -1.51 -0.99 119.26 119.39 2c9b h ALA 43 Ca 0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2c9b h ALA 43 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2c9b h ALA 43 CO -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 179.25 179.00 2c9b h ALA 44 N 1.10 1.19 0.00 0.00 0.00 -1.22 0.15 119.26 120.49 2c9b h ALA 44 Ca 0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2c9b h ALA 44 Cb -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2c9b h ALA 44 CO -0.03 0.52 -0.19 0.78 0.00 0.00 0.00 179.25 180.34 2c9b h GLY 45 N 0.93 0.00 -1.09 0.00 0.00 -1.07 -2.87 103.07 98.96 2c9b h GLY 45 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2c9b h GLY 45 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 2c9b n GLY 47 N 1.23 0.56 3.31 0.00 0.00 -1.06 -4.06 105.19 105.18 2c9b n GLY 47 Ca 0.17 0.00 -0.46 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 6.43 -0.04 0.99 1.02 0.47 -4.87 118.68 122.68 2c9b s LEU 48 Ca 0.00 -2.21 -0.26 0.00 0.02 0.00 0.00 54.13 51.68 2c9b s LEU 48 Cb 0.00 -2.20 -0.21 0.00 0.02 0.00 0.00 46.19 43.80 2c9b s LEU 48 CO 0.00 -0.72 1.15 0.44 0.02 0.00 0.00 176.35 177.24 2c9b h ASP 49 N 8.37 -0.02 -3.82 2.29 3.32 -1.86 -2.80 116.42 121.90 2c9b h ASP 49 Ca -0.11 -0.55 -0.62 0.00 0.02 0.00 0.00 57.03 55.76 2c9b h ASP 49 Cb 1.07 0.01 -0.41 0.00 0.22 0.00 0.00 39.33 40.22 2c9b h ASP 49 CO 0.90 0.55 -0.68 -0.62 -1.72 0.00 0.00 179.24 177.68 2c9b s ASP 50 N -5.75 4.00 0.74 6.45 3.68 -1.26 -4.80 116.67 119.73 2c9b s ASP 50 Ca -0.16 -2.93 -0.12 0.00 2.13 0.00 0.00 52.55 51.47 2c9b s ASP 50 Cb 0.01 -1.34 0.04 0.00 -1.45 0.00 0.00 42.92 40.17 2c9b s ASP 50 CO 0.66 -0.23 1.10 -2.16 0.13 0.00 0.00 175.17 174.67 2c9b s PRO 51 N -0.12 2.56 -0.48 4.34 0.04 -1.26 -5.01 135.00 135.06 2c9b s PRO 51 Ca 0.18 0.49 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 2c9b s PRO 51 Cb -0.22 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.36 2c9b s PRO 51 CO -0.02 -1.25 1.13 0.99 0.04 0.00 0.00 177.00 177.88 2c9b s THR 52 N -3.32 4.22 -0.21 1.26 2.01 -0.78 -4.94 115.64 113.88 2c9b s THR 52 Ca 0.59 1.18 -0.05 0.00 0.31 0.00 0.00 61.69 63.72 2c9b s THR 52 Cb -0.12 -4.60 -0.02 0.00 0.01 0.00 0.00 72.50 67.77 2c9b s THR 52 CO 0.52 -1.01 -0.00 -0.69 -0.69 0.00 0.00 174.62 172.75 2c9b s VAL 53 N 4.43 3.90 -0.03 3.82 1.01 -1.26 -0.26 120.40 132.01 2c9b s VAL 53 Ca 0.47 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2c9b s VAL 53 Cb -0.07 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 2c9b s VAL 53 CO 0.32 0.42 -0.14 -0.69 0.00 0.00 0.00 175.10 175.00 2c9b s VAL 54 N 1.10 1.19 -0.11 2.92 1.01 -0.45 -5.01 120.40 121.06 2c9b s VAL 54 Ca 0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 2c9b s VAL 54 Cb -0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2c9b s VAL 54 CO 0.01 0.35 0.06 -0.13 0.00 0.00 0.00 175.10 175.39 2c9b s ARG 55 N -0.01 3.28 0.36 2.72 1.81 -1.26 -2.22 118.95 123.62 2c9b s ARG 55 Ca -0.01 -0.30 0.06 0.00 -1.72 0.00 0.00 55.73 53.75 2c9b s ARG 55 Cb -0.09 -2.99 -0.07 0.00 -0.45 0.00 0.00 34.95 31.35 2c9b s ARG 55 CO 0.01 0.67 0.02 0.14 -0.68 0.00 0.00 175.30 175.46 2c9b s VAL 56 N -0.77 1.63 -0.10 3.52 -7.23 -0.93 -4.98 120.40 111.55 2c9b s VAL 56 Ca 0.12 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.18 2c9b s VAL 56 Cb -0.12 -2.84 -0.07 0.00 0.56 0.00 0.00 36.38 33.91 2c9b s VAL 56 CO 0.03 -0.04 0.30 -0.07 -0.31 0.00 0.00 175.10 175.01 2c9b h LEU 57 N 1.98 -0.07 -9.37 1.32 4.07 -1.93 -0.59 115.31 110.72 2c9b h LEU 57 Ca -0.42 -0.22 -0.55 0.00 0.08 0.00 0.00 57.88 56.77 2c9b h LEU 57 Cb 1.24 0.02 -0.14 0.00 1.08 0.00 0.00 40.66 42.86 2c9b h LEU 57 CO 0.74 0.52 -0.64 -0.83 -1.08 0.00 0.00 178.44 177.15 2c9b s GLY 58 N -3.57 2.16 0.48 0.83 0.00 -1.26 -2.11 107.32 103.84 2c9b s GLY 58 Ca -0.06 -2.10 0.22 0.00 0.00 0.00 0.00 44.72 42.79 2c9b s GLY 58 CO 0.20 -1.94 1.99 0.00 0.00 0.00 0.00 173.10 173.35 2c9b h ALA 59 N 2.04 1.34 0.00 3.20 0.00 -1.94 -2.60 119.26 121.30 2c9b h ALA 59 Ca -0.42 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 2c9b h ALA 59 Cb 1.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2c9b h ALA 59 CO 0.72 0.23 -0.34 0.82 0.00 0.00 0.00 179.25 180.69 2c9b h ILE 60 N 0.00 0.96 -0.00 0.00 2.04 -1.96 -2.93 117.51 115.62 2c9b h ILE 60 Ca -0.00 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.58 2c9b h ILE 60 Cb 0.43 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2c9b h ILE 60 CO 0.02 0.33 -0.09 -0.62 0.00 0.00 0.00 178.15 177.80 2c9b n GLU 61 N -3.74 0.69 0.09 2.37 4.71 -0.98 -4.26 120.64 119.52 2c9b n GLU 61 Ca -0.01 -0.20 -0.13 0.00 -0.01 0.00 0.00 57.16 56.81 2c9b n GLU 61 Cb 0.43 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.28 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 0.49 0.95 -0.77 -3.67 2.04 -1.60 -3.30 117.51 111.66 2c9b h ILE 62 Ca 0.00 -0.65 0.18 0.00 1.00 0.00 0.00 64.86 65.39 2c9b h ILE 62 Cb 0.33 1.34 -0.12 0.00 -0.74 0.00 0.00 36.82 37.63 2c9b h ILE 62 CO 0.00 0.15 0.16 -0.65 0.00 0.00 0.00 178.15 177.81 2c9b h PRO 63 N -0.55 0.23 0.00 2.37 0.11 -1.79 -1.13 132.00 131.24 2c9b h PRO 63 Ca -0.02 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 2c9b h PRO 63 Cb 0.42 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 2c9b h PRO 63 CO 0.04 0.15 -0.36 -0.24 -0.21 0.00 0.00 178.00 177.38 2c9b h VAL 64 N 0.23 1.04 0.15 3.15 3.04 -1.84 -0.80 116.25 121.22 2c9b h VAL 64 Ca 0.44 -1.34 -0.30 0.00 -1.01 0.00 0.00 66.70 64.50 2c9b h VAL 64 Cb 0.79 1.77 0.01 0.00 -2.01 0.00 0.00 31.29 31.85 2c9b h VAL 64 CO -0.56 0.35 -1.36 0.58 -1.01 0.00 0.00 177.57 175.57 2c9b h VAL 65 N 0.00 1.37 -0.08 1.51 2.07 -1.51 -3.25 116.25 116.36 2c9b h VAL 65 Ca -0.00 -2.93 -0.03 0.00 0.82 0.00 0.00 66.70 64.56 2c9b h VAL 65 Cb 0.74 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 2c9b h VAL 65 CO 0.05 0.86 -0.07 0.00 0.02 0.00 0.00 177.57 178.43 2c9b h ALA 66 N 0.47 1.74 -0.35 1.67 0.00 -0.79 -1.61 119.26 120.37 2c9b h ALA 66 Ca -0.19 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2c9b h ALA 66 Cb 2.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 2c9b h ALA 66 CO 0.21 0.20 -0.20 0.37 0.00 0.00 0.00 179.25 179.83 2c9b h GLN 67 N 0.12 0.67 -0.12 0.00 4.15 -1.22 -2.65 115.11 116.05 2c9b h GLN 67 Ca 0.03 -0.25 -0.21 0.00 0.77 0.00 0.00 58.65 58.99 2c9b h GLN 67 Cb 0.20 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 27.86 2c9b h GLN 67 CO 0.01 0.82 -0.76 1.49 -1.93 0.00 0.00 178.83 178.46 2c9b h GLU 68 N 0.59 0.72 0.00 1.69 4.57 -1.44 -3.28 114.58 117.43 2c9b h GLU 68 Ca 0.09 -0.62 -0.06 0.00 -1.18 0.00 0.00 59.36 57.60 2c9b h GLU 68 Cb 0.66 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 2c9b h GLU 68 CO 0.05 1.22 -0.26 -0.07 -1.18 0.00 0.00 179.01 178.77 2c9b h LEU 69 N 0.42 0.00 -0.33 1.64 3.38 -1.31 -2.98 115.31 116.13 2c9b h LEU 69 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2c9b h LEU 69 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2c9b h LEU 69 CO 0.15 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.95 2c9b n ALA 70 N -2.29 1.73 0.39 1.53 0.00 -1.00 -3.05 120.51 117.81 2c9b n ALA 70 Ca -0.01 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.58 2c9b n ALA 70 Cb 0.40 -1.33 0.38 0.00 0.00 0.00 0.00 19.45 18.89 2c9b n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c9b h ARG 71 N 0.00 0.00 -0.29 0.00 3.08 -1.67 -3.34 114.38 112.15 2c9b h ARG 71 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 2c9b h ARG 71 Cb 0.35 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.09 2c9b h ARG 71 CO 0.00 0.00 -0.80 0.27 -1.07 0.00 0.00 179.97 178.37 2c9b n ASN 72 N -2.71 0.39 -3.94 7.04 2.04 -1.19 -5.12 115.26 111.78 2c9b n ASN 72 Ca 0.04 -2.14 -0.10 0.00 -0.44 0.00 0.00 54.58 51.94 2c9b n ASN 72 Cb 0.42 -0.03 -0.10 0.00 -2.53 0.00 0.00 39.78 37.54 2c9b n ASN 72 CO 0.00 0.00 0.00 -1.00 -0.44 0.00 0.00 177.26 175.82 2c9b s HIS 73 N -2.27 0.18 -0.52 -2.53 3.76 -1.17 -4.99 115.29 107.75 2c9b s HIS 73 Ca 0.21 -0.41 0.24 0.00 -0.15 0.00 0.00 55.06 54.94 2c9b s HIS 73 Cb 0.37 -0.14 0.23 0.00 1.11 0.00 0.00 32.58 34.15 2c9b s HIS 73 CO -0.07 -0.27 1.23 -0.44 -0.85 0.00 0.00 174.74 174.34 2c9b h ASP 74 N 4.23 0.00 -4.48 1.40 3.32 -1.55 -3.45 116.42 115.89 2c9b h ASP 74 Ca -0.32 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 2c9b h ASP 74 Cb 1.20 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.54 2c9b h ASP 74 CO 0.44 0.08 0.06 0.00 -1.72 0.00 0.00 179.24 178.10 2c9b s ALA 75 N -3.23 -1.57 -0.03 3.45 0.00 -1.20 -4.29 121.76 114.89 2c9b s ALA 75 Ca 0.04 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.48 2c9b s ALA 75 Cb 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2c9b s ALA 75 CO 0.74 -0.32 -0.10 0.08 0.00 0.00 0.00 175.76 176.16 2c9b s VAL 76 N -0.44 0.91 -0.19 0.00 1.01 -0.82 -1.84 120.40 119.03 2c9b s VAL 76 Ca -0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 2c9b s VAL 76 Cb -0.03 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 2c9b s VAL 76 CO 0.05 0.28 -0.10 -0.69 0.00 0.00 0.00 175.10 174.64 2c9b s VAL 77 N 0.23 3.01 -0.21 2.92 1.01 0.10 -0.54 120.40 126.92 2c9b s VAL 77 Ca -0.04 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 2c9b s VAL 77 Cb -0.10 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2c9b s VAL 77 CO 0.01 0.48 0.08 0.00 0.00 0.00 0.00 175.10 175.67 2c9b s ALA 78 N 1.11 3.41 0.04 5.51 0.00 -0.50 -0.94 121.76 130.38 2c9b s ALA 78 Ca 0.01 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.19 2c9b s ALA 78 Cb -0.14 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2c9b s ALA 78 CO -0.03 -0.01 -0.18 -0.51 0.00 0.00 0.00 175.76 175.04 2c9b s LEU 79 N 0.73 2.16 0.00 0.00 1.43 -0.24 -0.49 118.68 122.26 2c9b s LEU 79 Ca 0.04 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2c9b s LEU 79 Cb -0.13 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.28 2c9b s LEU 79 CO 0.02 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.32 2c9b n GLY 80 N 1.93 -0.79 2.78 -3.19 0.00 -1.09 -1.88 105.19 102.96 2c9b n GLY 80 Ca -0.17 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.07 -0.20 1.61 1.01 -1.26 -0.97 120.40 118.53 2c9b s VAL 81 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 2c9b s VAL 81 Cb 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 36.38 36.31 2c9b s VAL 81 CO 0.00 0.10 -0.02 -0.69 0.00 0.00 0.00 175.10 174.49 2c9b s VAL 82 N 1.25 1.04 -0.11 2.92 1.01 -0.56 -4.87 120.40 121.10 2c9b s VAL 82 Ca -0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 2c9b s VAL 82 Cb -0.13 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2c9b s VAL 82 CO -0.04 -0.05 -0.01 -0.63 0.00 0.00 0.00 175.10 174.37 2c9b s ILE 83 N 1.63 4.19 0.22 2.22 1.01 -1.26 -2.96 121.20 126.25 2c9b s ILE 83 Ca -0.02 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 2c9b s ILE 83 Cb -0.17 -2.78 -0.09 0.00 0.01 0.00 0.00 42.46 39.42 2c9b s ILE 83 CO -0.07 0.57 1.39 -0.60 0.00 0.00 0.00 174.94 176.23 2c9b s ARG 84 N -0.51 4.31 0.00 2.79 3.52 -0.91 -4.91 118.95 123.25 2c9b s ARG 84 Ca 0.09 2.20 0.00 0.00 -0.13 0.00 0.00 55.73 57.88 2c9b s ARG 84 Cb -0.12 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 2c9b s ARG 84 CO 0.02 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.56 2c9b n GLY 85 N 2.41 3.05 0.03 8.12 0.00 -1.26 -4.89 105.19 112.65 2c9b n GLY 85 Ca 0.07 -1.76 0.10 0.00 0.00 0.00 0.00 46.02 44.43 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 0.65 -4.01 1.61 6.02 -1.26 -4.95 117.38 115.45 2c9b n GLN 86 Ca 0.00 -0.15 -0.21 0.00 -0.01 0.00 0.00 57.00 56.63 2c9b n GLN 86 Cb 0.00 -1.56 -0.03 0.00 1.02 0.00 0.00 30.24 29.67 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 -3.45 4.78 -1.92 5.09 -4.23 -1.26 -4.99 115.64 109.67 2c9b s THR 87 Ca -0.07 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2c9b s THR 87 Cb 0.13 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.36 2c9b s THR 87 CO 0.89 -0.33 0.30 -2.65 -0.54 0.00 0.00 174.62 172.29 2c9b n PRO 88 N -1.31 0.31 -0.33 3.99 -0.02 -1.26 -3.82 135.00 132.55 2c9b n PRO 88 Ca -0.08 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.57 2c9b n PRO 88 Cb 0.58 -1.01 0.37 0.00 -0.02 0.00 0.00 33.50 33.42 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 0.05 0.91 -0.56 6.00 2.76 -1.96 -2.19 115.15 120.17 2c9b h HIS 89 Ca 0.00 0.04 0.11 0.00 -2.20 0.00 0.00 60.37 58.32 2c9b h HIS 89 Cb 0.01 -0.25 -0.09 0.00 1.55 0.00 0.00 27.41 28.63 2c9b h HIS 89 CO 0.00 0.01 -0.02 0.35 -1.30 0.00 0.00 177.93 176.98 2c9b h PHE 90 N 0.51 -0.07 -0.78 5.26 3.57 -1.91 -2.31 116.94 121.21 2c9b h PHE 90 Ca 0.63 0.04 0.10 0.00 3.53 0.00 0.00 57.97 62.28 2c9b h PHE 90 Cb 1.22 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 40.02 2c9b h PHE 90 CO -0.04 -0.15 0.51 -0.44 -2.23 0.00 0.00 178.31 175.95 2c9b h ASP 91 N 0.10 0.61 0.96 0.41 3.32 -1.72 -2.97 116.42 117.13 2c9b h ASP 91 Ca 0.28 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 2c9b h ASP 91 Cb 0.44 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2c9b h ASP 91 CO -0.48 0.36 -1.06 1.88 -1.72 0.00 0.00 179.24 178.21 2c9b h TYR 92 N 0.67 0.00 -0.22 4.55 0.05 -1.53 -2.69 116.97 117.80 2c9b h TYR 92 Ca 0.36 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.95 2c9b h TYR 92 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2c9b h TYR 92 CO -0.00 0.11 -0.63 0.28 -1.05 0.00 0.00 178.16 176.86 2c9b h VAL 93 N 0.00 1.29 0.00 -2.88 2.07 -1.36 -3.07 116.25 112.30 2c9b h VAL 93 Ca -0.03 -1.84 -0.06 0.00 0.82 0.00 0.00 66.70 65.59 2c9b h VAL 93 Cb 1.11 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2c9b h VAL 93 CO 0.01 0.59 -0.30 0.00 0.02 0.00 0.00 177.57 177.89 2c9b h ASP 95 N 0.00 0.07 -0.54 0.00 3.32 -1.51 -2.57 116.42 115.19 2c9b h ASP 95 Ca -0.00 -0.48 0.03 0.00 0.02 0.00 0.00 57.03 56.60 2c9b h ASP 95 Cb 1.02 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 2c9b h ASP 95 CO 0.04 0.53 0.36 0.00 -1.72 0.00 0.00 179.24 178.45 2c9b h ALA 96 N 0.54 1.71 -0.14 3.45 0.00 -1.55 0.42 119.26 123.69 2c9b h ALA 96 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2c9b h ALA 96 Cb 0.51 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2c9b h ALA 96 CO 0.01 0.23 -0.51 0.28 0.00 0.00 0.00 179.25 179.26 2c9b h VAL 97 N 0.64 1.34 -0.55 0.00 2.07 -1.59 -1.55 116.25 116.61 2c9b h VAL 97 Ca 0.21 -1.78 -0.07 0.00 0.82 0.00 0.00 66.70 65.88 2c9b h VAL 97 Cb 0.06 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2c9b h VAL 97 CO -0.05 0.55 0.06 0.00 0.02 0.00 0.00 177.57 178.14 2c9b h THR 98 N 0.25 1.26 -0.06 2.57 1.03 -0.97 -2.77 112.91 114.22 2c9b h THR 98 Ca -0.02 -1.01 -0.18 0.00 -0.01 0.00 0.00 66.41 65.18 2c9b h THR 98 Cb 1.14 0.85 0.01 0.00 -1.07 0.00 0.00 68.15 69.08 2c9b h THR 98 CO 0.11 0.37 -0.66 1.56 -0.01 0.00 0.00 175.52 176.88 2c9b h GLN 99 N 0.81 0.55 0.14 0.00 4.20 -1.00 -3.16 115.11 116.66 2c9b h GLN 99 Ca 0.16 -0.51 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2c9b h GLN 99 Cb 0.45 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2c9b h GLN 99 CO 0.02 1.14 -0.07 0.78 -0.67 0.00 0.00 178.83 180.03 2c9b h GLY 100 N 0.14 -0.20 1.25 3.46 0.00 -1.31 -2.58 103.07 103.82 2c9b h GLY 100 Ca -0.07 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 2c9b h GLY 100 CO 0.13 -0.07 -0.08 1.41 0.00 0.00 0.00 176.54 177.93 2c9b h LEU 101 N -0.39 0.87 -0.91 3.11 3.38 -1.64 -2.19 115.31 117.54 2c9b h LEU 101 Ca -0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2c9b h LEU 101 Cb 0.31 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2c9b h LEU 101 CO 0.03 0.98 0.47 0.74 0.09 0.00 0.00 178.44 180.76 2c9b h THR 102 N 0.80 1.26 -0.51 0.22 2.02 -1.56 -1.06 112.91 114.07 2c9b h THR 102 Ca 0.14 -0.66 -0.11 0.00 0.77 0.00 0.00 66.41 66.55 2c9b h THR 102 Cb 0.59 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2c9b h THR 102 CO 0.04 0.30 -0.11 -0.09 0.37 0.00 0.00 175.52 176.02 2c9b h ARG 103 N 1.25 0.96 -0.45 6.66 2.43 -1.28 -3.19 114.38 120.76 2c9b h ARG 103 Ca 0.31 -0.35 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 2c9b h ARG 103 Cb 0.04 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2c9b h ARG 103 CO -0.05 1.02 -0.13 0.28 -1.51 0.00 0.00 179.97 179.57 2c9b h VAL 104 N 0.86 1.27 -0.79 0.20 2.07 -0.95 -2.27 116.25 116.65 2c9b h VAL 104 Ca 0.14 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 2c9b h VAL 104 Cb 0.66 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2c9b h VAL 104 CO 0.05 0.43 0.35 0.77 0.02 0.00 0.00 177.57 179.19 2c9b h SER 105 N 0.72 1.04 0.64 0.57 4.64 -1.23 -2.87 113.55 117.06 2c9b h SER 105 Ca 0.11 -0.14 -0.27 0.00 -0.47 0.00 0.00 61.79 61.03 2c9b h SER 105 Cb 0.68 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 2c9b h SER 105 CO 0.05 0.90 -1.46 -0.07 -0.87 0.00 0.00 176.83 175.38 2c9b h LEU 106 N 1.13 0.08 -0.82 5.97 3.38 -1.57 -1.61 115.31 121.86 2c9b h LEU 106 Ca 0.27 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2c9b h LEU 106 Cb 0.15 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2c9b h LEU 106 CO -0.03 1.10 0.54 0.44 0.09 0.00 0.00 178.44 180.58 2c9b h ASP 107 N 0.01 0.93 -0.02 -0.43 3.45 -1.35 -3.16 116.42 115.86 2c9b h ASP 107 Ca -0.19 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.25 2c9b h ASP 107 Cb 1.94 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 40.48 2c9b h ASP 107 CO 0.11 0.67 -0.22 -1.54 -1.57 0.00 0.00 179.24 176.69 2c9b n SER 108 N -4.52 2.06 -3.77 6.45 3.41 -1.09 -4.99 113.62 111.17 2c9b n SER 108 Ca 0.09 -1.53 -0.23 0.00 -0.26 0.00 0.00 58.87 56.94 2c9b n SER 108 Cb 0.02 0.29 0.02 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.36 -1.16 -3.95 4.04 7.64 -0.92 -5.01 113.62 114.63 2c9b n SER 109 Ca 0.09 -0.86 -0.20 0.00 1.01 0.00 0.00 58.87 58.91 2c9b n SER 109 Cb 0.41 -3.83 -0.16 0.00 -1.01 0.00 0.00 64.21 59.63 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 -3.71 0.63 0.17 0.44 2.01 -0.65 -5.04 115.64 109.48 2c9b s THR 110 Ca 0.04 -0.23 -0.32 0.00 0.31 0.00 0.00 61.69 61.49 2c9b s THR 110 Cb -0.02 -0.60 -0.10 0.00 0.01 0.00 0.00 72.50 71.78 2c9b s THR 110 CO 0.83 0.22 1.60 -2.16 -0.69 0.00 0.00 174.62 174.43 2c9b s PRO 111 N 0.51 4.20 -0.30 4.92 0.04 -1.26 -4.37 135.00 138.73 2c9b s PRO 111 Ca -0.07 2.41 0.03 0.00 0.04 0.00 0.00 61.00 63.41 2c9b s PRO 111 Cb -0.11 -3.16 0.09 0.00 0.04 0.00 0.00 34.50 31.36 2c9b s PRO 111 CO 0.00 -0.64 0.01 0.42 0.04 0.00 0.00 177.00 176.83 2c9b s ILE 112 N 1.21 1.93 0.13 0.56 -1.09 -1.26 -1.95 121.20 120.73 2c9b s ILE 112 Ca 0.71 -1.90 -0.30 0.00 -2.23 0.00 0.00 60.65 56.93 2c9b s ILE 112 Cb -0.45 -2.32 -0.07 0.00 -1.58 0.00 0.00 42.46 38.04 2c9b s ILE 112 CO 0.31 -0.43 1.19 0.00 -1.23 0.00 0.00 174.94 174.78 2c9b s ALA 113 N 1.12 3.41 -0.62 9.38 0.00 0.29 -4.92 121.76 130.43 2c9b s ALA 113 Ca 0.04 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 52.72 2c9b s ALA 113 Cb -0.19 -3.42 0.12 0.00 0.00 0.00 0.00 23.12 19.63 2c9b s ALA 113 CO -0.10 -0.38 0.70 1.21 0.00 0.00 0.00 175.76 177.20 2c9b s ASN 114 N 0.48 6.26 -0.38 0.00 2.47 -1.26 -1.41 114.94 121.09 2c9b s ASN 114 Ca 0.55 -1.62 0.05 0.00 0.42 0.00 0.00 52.86 52.26 2c9b s ASN 114 Cb -0.31 -2.29 0.45 0.00 -1.45 0.00 0.00 41.25 37.65 2c9b s ASN 114 CO 0.33 -1.03 1.31 0.61 -3.72 0.00 0.00 177.10 174.60 2c9b n GLY 115 N 5.19 6.25 3.53 1.21 0.00 0.35 -4.91 105.19 116.81 2c9b n GLY 115 Ca -0.06 -2.64 -0.38 0.00 0.00 0.00 0.00 46.02 42.94 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 -4.80 4.96 0.26 1.61 1.01 -1.24 -2.67 120.40 119.53 2c9b s VAL 116 Ca 0.52 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 2c9b s VAL 116 Cb 0.42 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 2c9b s VAL 116 CO -0.02 0.24 0.98 -0.76 0.00 0.00 0.00 175.10 175.54 2c9b s LEU 117 N 1.70 4.58 -0.25 3.92 1.43 -0.14 -4.92 118.68 125.01 2c9b s LEU 117 Ca 0.07 2.01 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 2c9b s LEU 117 Cb -0.16 -3.67 0.07 0.00 0.03 0.00 0.00 46.19 42.45 2c9b s LEU 117 CO 0.08 0.05 -0.04 0.42 0.23 0.00 0.00 176.35 177.10 2c9b s THR 118 N -1.24 1.58 0.09 5.49 -4.23 -1.26 -1.49 115.64 114.58 2c9b s THR 118 Ca 0.43 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.65 2c9b s THR 118 Cb -0.26 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 2c9b s THR 118 CO 0.33 -0.16 -0.11 0.42 -0.54 0.00 0.00 174.62 174.55 2c9b s THR 119 N 1.36 1.01 0.11 3.99 -4.23 -1.16 -5.05 115.64 111.67 2c9b s THR 119 Ca -0.04 -1.55 0.07 0.00 -1.18 0.00 0.00 61.69 58.99 2c9b s THR 119 Cb -0.19 -1.28 -0.21 0.00 1.34 0.00 0.00 72.50 72.16 2c9b s THR 119 CO -0.07 -0.46 1.23 0.78 -0.54 0.00 0.00 174.62 175.55 2c9b h ASN 120 N 3.76 0.01 -3.20 3.99 2.35 -1.93 -2.41 115.58 118.15 2c9b h ASN 120 Ca -0.38 -0.01 -0.48 0.00 -0.55 0.00 0.00 56.30 54.88 2c9b h ASN 120 Cb 1.19 -0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.42 2c9b h ASN 120 CO 0.49 1.01 -0.60 0.42 -1.65 0.00 0.00 177.43 177.10 2c9b s THR 121 N -2.70 1.18 0.13 2.81 -4.23 -1.26 -4.44 115.64 107.13 2c9b s THR 121 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 2c9b s THR 121 Cb 0.10 -2.78 -0.20 0.00 1.34 0.00 0.00 72.50 70.96 2c9b s THR 121 CO 0.82 0.00 1.29 -0.08 -0.54 0.00 0.00 174.62 176.11 2c9b h GLU 122 N 2.09 0.30 0.00 3.99 4.81 -1.96 -3.22 114.58 120.60 2c9b h GLU 122 Ca -0.41 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.41 2c9b h GLU 122 Cb 1.25 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 2c9b h GLU 122 CO 0.69 1.09 -0.21 1.49 -0.73 0.00 0.00 179.01 181.34 2c9b h GLU 123 N 0.15 0.00 -0.28 1.92 4.22 -1.99 -1.77 114.58 116.82 2c9b h GLU 123 Ca -0.08 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.21 2c9b h GLU 123 Cb 1.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.90 2c9b h GLU 123 CO 0.16 0.21 -0.41 1.96 -2.18 0.00 0.00 179.01 178.75 2c9b h GLN 124 N 0.00 0.77 0.00 1.92 4.20 -1.98 -2.80 115.11 117.22 2c9b h GLN 124 Ca -0.00 -0.46 -0.09 0.00 0.06 0.00 0.00 58.65 58.16 2c9b h GLN 124 Cb 0.42 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2c9b h GLN 124 CO 0.03 1.08 -0.44 0.00 -0.67 0.00 0.00 178.83 178.83 2c9b h ALA 125 N 0.68 1.05 -0.19 3.87 0.00 -1.44 -2.95 119.26 120.28 2c9b h ALA 125 Ca 0.03 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 2c9b h ALA 125 Cb 1.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2c9b h ALA 125 CO 0.10 0.55 -0.39 -0.07 0.00 0.00 0.00 179.25 179.44 2c9b h LEU 126 N 0.00 0.66 -2.20 0.00 3.38 -1.39 -3.28 115.31 112.49 2c9b h LEU 126 Ca -0.00 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 2c9b h LEU 126 Cb 0.90 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2c9b h LEU 126 CO 0.06 1.09 -0.01 -0.78 0.09 0.00 0.00 178.44 178.89 2c9b h ASP 127 N 0.25 0.00 -0.29 -0.43 3.58 -1.33 -2.57 116.42 115.63 2c9b h ASP 127 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.35 2c9b h ASP 127 Cb 0.99 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.97 2c9b h ASP 127 CO 0.09 0.01 -0.06 0.54 -2.88 0.00 0.00 179.24 176.93 2c9b n ARG 128 N -3.11 2.11 -0.00 0.28 1.74 -1.14 -1.90 116.66 114.64 2c9b n ARG 128 Ca -0.01 -3.04 0.04 0.00 -0.77 0.00 0.00 57.85 54.07 2c9b n ARG 128 Cb 0.19 -1.80 -0.05 0.00 -1.02 0.00 0.00 32.46 29.78 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 -0.97 2.59 -0.34 7.54 0.00 -0.97 -2.83 120.51 125.54 2c9b n ALA 129 Ca 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2c9b n ALA 129 Cb 0.95 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 1.68 1.64 3.85 0.00 0.00 -1.13 -3.86 105.19 107.38 2c9b n GLY 130 Ca -0.00 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 3.03 0.58 0.99 1.43 -1.26 -4.91 118.68 118.54 2c9b s LEU 131 Ca 0.00 1.37 0.36 0.00 -1.03 0.00 0.00 54.13 54.83 2c9b s LEU 131 Cb 0.00 -4.25 1.34 0.00 0.03 0.00 0.00 46.19 43.31 2c9b s LEU 131 CO 0.00 -1.28 1.52 -0.65 0.23 0.00 0.00 176.35 176.17 2c9b h PRO 132 N -0.61 0.00 0.00 1.29 0.11 -1.99 -0.13 132.00 130.67 2c9b h PRO 132 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2c9b h PRO 132 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2c9b h PRO 132 CO 0.61 0.00 -0.07 2.41 -0.21 0.00 0.00 178.00 180.74 2c9b n THR 133 N -3.64 1.22 -2.05 -1.15 -1.04 -1.26 -5.08 114.28 101.27 2c9b n THR 133 Ca 0.29 -1.41 -0.33 0.00 -2.04 0.00 0.00 64.05 60.56 2c9b n THR 133 Cb 1.58 0.17 0.01 0.00 -1.82 0.00 0.00 70.33 70.27 2c9b n THR 133 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2c9b s SER 134 N -1.86 5.64 0.12 8.00 0.01 -0.07 -4.98 113.70 120.57 2c9b s SER 134 Ca 0.16 1.94 0.03 0.00 1.31 0.00 0.00 55.95 59.39 2c9b s SER 134 Cb 0.14 -2.55 -0.17 0.00 0.21 0.00 0.00 66.02 63.65 2c9b s SER 134 CO 0.01 -1.26 1.27 0.00 0.41 0.00 0.00 173.24 173.67 2c9b h ALA 135 N 0.57 0.33 -2.96 1.44 0.00 -1.71 -3.47 119.26 113.46 2c9b h ALA 135 Ca -0.48 -0.85 -0.05 0.00 0.00 0.00 0.00 54.91 53.53 2c9b h ALA 135 Cb 1.23 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2c9b h ALA 135 CO 0.57 1.09 0.11 -1.83 0.00 0.00 0.00 179.25 179.18 2c9b s GLU 136 N -2.82 1.95 -0.15 0.00 -1.05 -1.06 -5.07 118.70 110.50 2c9b s GLU 136 Ca -0.01 -1.36 -0.03 0.00 -0.15 0.00 0.00 54.97 53.42 2c9b s GLU 136 Cb 0.09 0.56 0.05 0.00 -0.44 0.00 0.00 34.13 34.39 2c9b s GLU 136 CO 0.84 -0.87 0.04 0.34 0.95 0.00 0.00 175.26 176.56 2c9b s ASP 137 N -3.06 2.33 0.20 0.83 2.15 -1.26 -2.83 116.67 115.03 2c9b s ASP 137 Ca 0.18 -0.53 0.16 0.00 0.43 0.00 0.00 52.55 52.79 2c9b s ASP 137 Cb -0.04 -0.44 -0.01 0.00 -0.30 0.00 0.00 42.92 42.14 2c9b s ASP 137 CO 0.12 -0.29 1.20 0.11 -0.17 0.00 0.00 175.17 176.14 2c9b h LYS 138 N 8.32 0.00 -0.57 4.34 1.79 -1.80 -3.20 116.57 125.45 2c9b h LYS 138 Ca -0.16 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.26 2c9b h LYS 138 Cb 1.13 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.75 2c9b h LYS 138 CO 0.29 0.40 0.16 0.78 -1.08 0.00 0.00 179.45 180.00 2c9b h GLY 139 N 3.60 0.94 1.43 3.86 0.00 -1.83 -0.17 103.07 110.90 2c9b h GLY 139 Ca -0.06 -0.53 -0.19 0.00 0.00 0.00 0.00 47.33 46.55 2c9b h GLY 139 CO 0.05 0.50 -0.67 0.00 0.00 0.00 0.00 176.54 176.42 2c9b h ALA 140 N 1.33 0.55 -0.48 3.60 0.00 -1.72 -3.05 119.26 119.48 2c9b h ALA 140 Ca 0.19 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 2c9b h ALA 140 Cb 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2c9b h ALA 140 CO -0.00 0.72 -0.23 1.96 0.00 0.00 0.00 179.25 181.69 2c9b h GLN 141 N 0.41 1.00 -0.57 0.00 4.20 -1.48 -2.57 115.11 116.11 2c9b h GLN 141 Ca -0.02 -0.44 -0.07 0.00 0.06 0.00 0.00 58.65 58.18 2c9b h GLN 141 Cb 1.26 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 2c9b h GLN 141 CO 0.13 1.12 0.09 0.00 -0.67 0.00 0.00 178.83 179.49 2c9b h ALA 142 N 0.86 1.08 -0.20 3.87 0.00 -1.08 -1.90 119.26 121.89 2c9b h ALA 142 Ca 0.11 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2c9b h ALA 142 Cb 0.81 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2c9b h ALA 142 CO 0.07 0.60 -0.32 1.15 0.00 0.00 0.00 179.25 180.74 2c9b h THR 143 N 0.87 1.33 -0.69 0.00 2.02 -1.48 -2.51 112.91 112.44 2c9b h THR 143 Ca 0.18 -1.54 0.07 0.00 0.77 0.00 0.00 66.41 65.89 2c9b h THR 143 Cb 0.39 1.82 -0.06 0.00 -1.74 0.00 0.00 68.15 68.56 2c9b h THR 143 CO 0.01 0.47 0.37 0.58 0.37 0.00 0.00 175.52 177.33 2c9b h VAL 144 N 0.26 0.93 -0.58 3.16 2.07 -1.40 -1.30 116.25 119.40 2c9b h VAL 144 Ca 0.02 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2c9b h VAL 144 Cb 0.91 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2c9b h VAL 144 CO 0.07 0.12 0.34 0.00 0.02 0.00 0.00 177.57 178.12 2c9b h ALA 145 N 1.38 1.51 -0.03 1.67 0.00 -1.24 -1.53 119.26 121.01 2c9b h ALA 145 Ca 0.32 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 2c9b h ALA 145 Cb 0.25 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2c9b h ALA 145 CO -0.21 0.42 -0.40 0.00 0.00 0.00 0.00 179.25 179.07 2c9b h ALA 146 N 1.58 0.08 -0.44 0.00 0.00 -0.95 -2.85 119.26 116.68 2c9b h ALA 146 Ca 0.21 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 2c9b h ALA 146 Cb -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2c9b h ALA 146 CO -0.04 0.21 -0.04 -0.07 0.00 0.00 0.00 179.25 179.32 2c9b h LEU 147 N -0.24 0.80 -0.55 0.00 3.38 -1.13 -1.93 115.31 115.65 2c9b h LEU 147 Ca -0.04 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2c9b h LEU 147 Cb 1.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2c9b h LEU 147 CO 0.08 0.94 0.24 0.00 0.09 0.00 0.00 178.44 179.79 2c9b h ALA 148 N 0.89 0.71 -0.59 1.53 0.00 -1.39 -2.04 119.26 118.37 2c9b h ALA 148 Ca 0.12 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2c9b h ALA 148 Cb 0.55 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2c9b h ALA 148 CO 0.03 0.29 -0.01 1.15 0.00 0.00 0.00 179.25 180.70 2c9b h THR 149 N 0.74 1.27 -0.48 0.00 2.02 -1.42 -1.70 112.91 113.33 2c9b h THR 149 Ca 0.19 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.21 2c9b h THR 149 Cb 0.15 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2c9b h THR 149 CO -0.02 0.42 0.31 0.00 0.37 0.00 0.00 175.52 176.60 2c9b h ALA 150 N 0.97 0.61 -0.31 6.16 0.00 -1.25 -1.39 119.26 124.06 2c9b h ALA 150 Ca 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2c9b h ALA 150 Cb 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2c9b h ALA 150 CO 0.03 0.07 -0.08 -0.07 0.00 0.00 0.00 179.25 179.20 2c9b h LEU 151 N 0.65 0.48 -0.19 0.00 3.38 -1.16 -1.03 115.31 117.44 2c9b h LEU 151 Ca 0.17 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2c9b h LEU 151 Cb -0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2c9b h LEU 151 CO -0.04 0.61 0.01 0.74 0.09 0.00 0.00 178.44 179.86 2c9b h THR 152 N 0.47 1.24 -0.75 0.22 2.02 -1.06 -2.76 112.91 112.30 2c9b h THR 152 Ca 0.09 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 2c9b h THR 152 Cb 0.44 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 2c9b h THR 152 CO 0.02 0.25 0.39 -0.07 0.37 0.00 0.00 175.52 176.47 2c9b h LEU 153 N 0.09 0.95 -0.85 2.58 3.38 -0.94 -1.50 115.31 119.02 2c9b h LEU 153 Ca 0.05 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.01 2c9b h LEU 153 Cb 0.36 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 2c9b h LEU 153 CO 0.01 0.78 0.52 -0.09 0.09 0.00 0.00 178.44 179.74 2c9b h ARG 154 N 1.05 0.89 -0.11 1.13 9.65 -1.14 -0.92 114.38 124.93 2c9b h ARG 154 Ca 0.26 -0.05 -0.22 0.00 -1.10 0.00 0.00 59.98 58.87 2c9b h ARG 154 Cb 0.06 -0.20 0.01 0.00 -1.39 0.00 0.00 29.97 28.46 2c9b h ARG 154 CO -0.04 0.59 -0.77 1.49 2.80 0.00 0.00 179.97 184.04 2c9b h GLU 155 N 0.92 0.71 -0.23 0.20 4.57 -1.12 -3.29 114.58 116.34 2c9b h GLU 155 Ca 0.38 -0.62 -0.10 0.00 -1.18 0.00 0.00 59.36 57.84 2c9b h GLU 155 Cb 0.24 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2c9b h GLU 155 CO -0.20 1.23 -0.30 -0.07 -1.18 0.00 0.00 179.01 178.49 2c9b h LEU 156 N 0.41 0.48-10.74 1.64 3.38 -1.06 -3.46 115.31 105.96 2c9b h LEU 156 Ca -0.07 -0.18 -0.44 0.00 0.09 0.00 0.00 57.88 57.28 2c9b h LEU 156 Cb 1.42 -0.13 0.16 0.00 0.09 0.00 0.00 40.66 42.19 2c9b h LEU 156 CO 0.16 0.76 0.38 -0.13 0.09 0.00 0.00 178.44 179.70 2c9b s ARG 157 N -4.40 0.53 -0.05 1.13 0.52 -0.37 -4.98 118.95 111.33 2c9b s ARG 157 Ca -0.07 -0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 54.56 2c9b s ARG 157 Cb 0.13 -1.82 -0.04 0.00 0.52 0.00 0.00 34.95 33.74 2c9b s ARG 157 CO 0.79 -2.51 1.40 0.00 0.02 0.00 0.00 175.30 175.01 2c9b s ALA 158 N -3.72 3.60 -0.02 2.13 0.00 -1.26 -4.98 121.76 117.51 2c9b s ALA 158 Ca 0.72 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 53.32 2c9b s ALA 158 Cb -0.06 -3.62 0.02 0.00 0.00 0.00 0.00 23.12 19.46 2c9b s ALA 158 CO 0.53 -1.05 0.30 -3.38 0.00 0.00 0.00 175.76 172.16 2c9b s HIS 159 N 2.92 -0.18 -2.00 0.00 -3.43 -1.26 -5.11 115.29 106.23 2c9b s HIS 159 Ca 0.63 0.27 0.06 0.00 -0.80 0.00 0.00 55.06 55.23 2c9b s HIS 159 Cb -0.29 0.09 0.38 0.00 -1.43 0.00 0.00 32.58 31.32 2c9b s HIS 159 CO 0.24 -0.37 0.84 0.45 -2.00 0.00 0.00 174.74 173.90