#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9d n SER 16 N 0.00 0.26 -0.00 0.00 3.41 -1.25 -2.57 113.62 113.47 2c9d n SER 16 Ca 0.00 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 2c9d n SER 16 Cb 0.00 -0.62 -0.12 0.00 -0.26 0.00 0.00 64.21 63.21 2c9d n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c9d n GLY 17 N -0.14 -1.01 3.76 5.00 0.00 -1.26 -4.91 105.19 106.63 2c9d n GLY 17 Ca 0.03 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 2c9d n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9d s VAL 18 N -3.04 3.70 -0.46 1.61 1.01 -1.06 -5.02 120.40 117.14 2c9d s VAL 18 Ca 0.07 1.61 -0.14 0.00 0.00 0.00 0.00 61.98 63.52 2c9d s VAL 18 Cb 0.16 -3.99 0.07 0.00 0.00 0.00 0.00 36.38 32.62 2c9d s VAL 18 CO 0.87 0.31 0.36 -0.13 0.00 0.00 0.00 175.10 176.51 2c9d s ARG 19 N -1.63 2.92 -0.07 2.72 0.52 -1.26 -5.01 118.95 117.15 2c9d s ARG 19 Ca 0.47 -1.33 -0.05 0.00 -0.52 0.00 0.00 55.73 54.30 2c9d s ARG 19 Cb -0.28 -4.06 -0.04 0.00 0.52 0.00 0.00 34.95 31.09 2c9d s ARG 19 CO 0.35 -0.98 0.16 -1.17 0.02 0.00 0.00 175.30 173.68 2c9d s LEU 20 N 1.61 4.36 0.02 2.53 2.96 -1.26 -0.98 118.68 127.93 2c9d s LEU 20 Ca 0.04 0.40 0.04 0.00 -0.22 0.00 0.00 54.13 54.39 2c9d s LEU 20 Cb -0.23 -2.32 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 2c9d s LEU 20 CO 0.06 0.34 -0.12 0.00 -1.32 0.00 0.00 176.35 175.32 2c9d s ALA 21 N -1.16 0.95 -0.10 5.97 0.00 -0.67 -2.32 121.76 124.42 2c9d s ALA 21 Ca 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2c9d s ALA 21 Cb -0.12 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.85 2c9d s ALA 21 CO 0.11 0.19 -0.10 0.42 0.00 0.00 0.00 175.76 176.37 2c9d s ILE 22 N -0.64 1.14 -0.16 0.00 1.01 0.21 -1.16 121.20 121.60 2c9d s ILE 22 Ca 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.28 2c9d s ILE 22 Cb -0.06 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.31 2c9d s ILE 22 CO 0.00 0.38 -0.18 0.54 0.00 0.00 0.00 174.94 175.68 2c9d s VAL 23 N 1.36 2.36 -0.03 2.92 0.11 -0.35 -0.77 120.40 126.00 2c9d s VAL 23 Ca -0.01 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.21 2c9d s VAL 23 Cb -0.14 -1.99 0.00 0.00 -1.53 0.00 0.00 36.38 32.73 2c9d s VAL 23 CO -0.05 0.52 -0.10 0.00 -3.33 0.00 0.00 175.10 172.14 2c9d s ALA 24 N 1.02 0.97 0.59 1.54 0.00 -0.73 -1.28 121.76 123.87 2c9d s ALA 24 Ca -0.02 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 51.43 2c9d s ALA 24 Cb -0.15 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 2c9d s ALA 24 CO -0.05 0.16 1.02 0.45 0.00 0.00 0.00 175.76 177.34 2c9d s SER 25 N 0.18 6.33 -0.13 0.00 0.15 -0.66 -1.86 113.70 117.72 2c9d s SER 25 Ca -0.03 1.48 0.17 0.00 0.70 0.00 0.00 55.95 58.27 2c9d s SER 25 Cb -0.09 -2.49 -0.24 0.00 -1.71 0.00 0.00 66.02 61.49 2c9d s SER 25 CO 0.01 -0.79 0.17 -1.20 1.20 0.00 0.00 173.24 172.62 2c9d n SER 26 N -2.34 0.67 -4.62 5.45 7.64 -0.55 -4.81 113.62 115.05 2c9d n SER 26 Ca 0.06 0.00 -0.59 0.00 1.01 0.00 0.00 58.87 59.36 2c9d n SER 26 Cb 0.54 1.22 -0.08 0.00 -1.01 0.00 0.00 64.21 64.88 2c9d n SER 26 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2c9d n TRP 27 N -2.50 1.38 -2.92 1.43 -0.00 -1.22 -2.03 117.44 111.59 2c9d n TRP 27 Ca -0.21 0.87 -0.10 0.00 -0.00 0.00 0.00 57.50 58.06 2c9d n TRP 27 Cb 0.89 -2.25 0.01 0.00 -0.00 0.00 0.00 31.31 29.96 2c9d n TRP 27 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 2c9d n HIS 28 N 3.04 -3.40 -0.14 5.87 8.25 -1.26 -4.66 115.22 122.92 2c9d n HIS 28 Ca 0.23 1.37 -0.11 0.00 -0.26 0.00 0.00 57.72 58.95 2c9d n HIS 28 Cb 0.09 -3.92 -0.02 0.00 1.12 0.00 0.00 29.99 27.26 2c9d n HIS 28 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2c9d h GLY 29 N 1.90 0.81 0.30 -1.41 0.00 -1.78 -3.05 103.07 99.84 2c9d h GLY 29 Ca -0.05 -0.64 0.04 0.00 0.00 0.00 0.00 47.33 46.68 2c9d h GLY 29 CO 0.21 0.59 -0.28 0.50 0.00 0.00 0.00 176.54 177.56 2c9d h LYS 30 N 0.56 -0.37 -0.67 4.80 1.79 -1.93 -1.92 116.57 118.82 2c9d h LYS 30 Ca 0.10 0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.54 2c9d h LYS 30 Cb 0.58 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.28 2c9d h LYS 30 CO 0.03 -0.25 0.17 0.82 -1.08 0.00 0.00 179.45 179.15 2c9d h ILE 31 N -0.39 1.25 -0.62 1.86 2.04 -1.94 -2.53 117.51 117.18 2c9d h ILE 31 Ca 0.08 -0.93 0.07 0.00 1.00 0.00 0.00 64.86 65.09 2c9d h ILE 31 Cb 0.50 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 2c9d h ILE 31 CO -0.28 0.36 0.29 0.00 0.00 0.00 0.00 178.15 178.51 2c9d h ASP 33 N 0.53 0.69 0.43 0.00 3.45 -0.94 0.15 116.42 120.72 2c9d h ASP 33 Ca 0.29 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.75 2c9d h ASP 33 Cb 0.28 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 2c9d h ASP 33 CO -0.24 0.45 -0.21 0.00 -1.57 0.00 0.00 179.24 177.68 2c9d h ALA 34 N 1.35 -0.58 -0.59 3.45 0.00 -1.10 0.55 119.26 122.34 2c9d h ALA 34 Ca 0.31 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.18 2c9d h ALA 34 Cb 0.12 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2c9d h ALA 34 CO -0.15 -0.79 0.17 -0.07 0.00 0.00 0.00 179.25 178.40 2c9d h LEU 35 N -0.65 0.10 -1.14 0.00 3.38 -0.82 -0.78 115.31 115.40 2c9d h LEU 35 Ca -0.06 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2c9d h LEU 35 Cb 0.48 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2c9d h LEU 35 CO 0.10 0.06 0.12 0.25 0.09 0.00 0.00 178.44 179.06 2c9d h LEU 36 N 0.32 0.67 -0.62 1.67 5.85 -0.62 -2.85 115.31 119.73 2c9d h LEU 36 Ca 0.30 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 2c9d h LEU 36 Cb 0.41 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2c9d h LEU 36 CO -0.35 0.66 0.11 -0.78 -0.34 0.00 0.00 178.44 177.74 2c9d h ASP 37 N 0.71 0.98 -0.46 1.25 -0.00 0.50 -2.61 116.42 116.80 2c9d h ASP 37 Ca 0.16 -0.26 -0.04 0.00 -0.00 0.00 0.00 57.03 56.89 2c9d h ASP 37 Cb 0.26 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.33 39.31 2c9d h ASP 37 CO -0.00 0.99 0.12 1.23 -0.00 0.00 0.00 179.24 181.57 2c9d h GLY 38 N 0.93 0.79 0.92 -0.78 0.00 -1.16 -2.86 103.07 100.92 2c9d h GLY 38 Ca 0.19 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.04 2c9d h GLY 38 CO 0.01 0.46 0.10 0.00 0.00 0.00 0.00 176.54 177.11 2c9d h ALA 39 N 0.98 0.24 -0.87 3.60 0.00 -1.41 -2.69 119.26 119.11 2c9d h ALA 39 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2c9d h ALA 39 Cb 0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2c9d h ALA 39 CO 0.00 -0.32 0.50 0.00 0.00 0.00 0.00 179.25 179.43 2c9d h ARG 40 N 0.22 1.19 0.22 0.00 3.08 -1.48 -1.08 114.38 116.53 2c9d h ARG 40 Ca 0.08 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2c9d h ARG 40 Cb 0.01 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.82 2c9d h ARG 40 CO -0.05 0.85 -0.10 0.87 -1.07 0.00 0.00 179.97 180.47 2c9d h LYS 41 N 1.20 -0.28 -0.95 0.04 1.57 -1.37 -0.47 116.57 116.32 2c9d h LYS 41 Ca 0.31 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.15 2c9d h LYS 41 Cb -0.01 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 2c9d h LYS 41 CO -0.05 -0.09 0.61 0.28 -0.57 0.00 0.00 179.45 179.63 2c9d h VAL 42 N -0.43 1.14 -0.29 0.50 2.07 -1.38 -0.51 116.25 117.35 2c9d h VAL 42 Ca -0.03 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.13 2c9d h VAL 42 Cb 0.33 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 2c9d h VAL 42 CO 0.05 0.21 0.05 0.00 0.02 0.00 0.00 177.57 177.90 2c9d h ALA 43 N 1.40 0.29 -0.57 1.67 0.00 -0.96 -2.04 119.26 119.06 2c9d h ALA 43 Ca 0.39 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 2c9d h ALA 43 Cb 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2c9d h ALA 43 CO -0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 179.25 178.71 2c9d h ALA 44 N 1.22 0.85 -0.89 0.00 0.00 -0.58 -1.19 119.26 118.67 2c9d h ALA 44 Ca 0.14 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2c9d h ALA 44 Cb 0.15 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2c9d h ALA 44 CO -0.19 0.66 0.59 0.78 0.00 0.00 0.00 179.25 181.09 2c9d h GLY 45 N 0.98 1.29 -0.51 0.00 0.00 -0.87 -2.19 103.07 101.77 2c9d h GLY 45 Ca 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2c9d h GLY 45 CO 0.04 0.35 0.00 0.00 0.00 0.00 0.00 176.54 176.92 2c9d n GLY 47 N 0.90 0.73 3.31 0.00 0.00 -0.82 -3.78 105.19 105.53 2c9d n GLY 47 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 2c9d n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9d s LEU 48 N 0.00 6.18 0.28 0.99 1.43 -0.47 -4.80 118.68 122.29 2c9d s LEU 48 Ca 0.00 -1.82 0.15 0.00 -1.03 0.00 0.00 54.13 51.43 2c9d s LEU 48 Cb 0.00 -2.22 0.06 0.00 0.03 0.00 0.00 46.19 44.07 2c9d s LEU 48 CO 0.00 -0.86 1.43 0.44 0.23 0.00 0.00 176.35 177.59 2c9d h ASP 49 N 8.84 0.00 -2.25 2.29 3.45 -1.87 -3.09 116.42 123.79 2c9d h ASP 49 Ca -0.28 0.00 -0.48 0.00 0.43 0.00 0.00 57.03 56.70 2c9d h ASP 49 Cb 1.10 0.00 -0.35 0.00 -0.56 0.00 0.00 39.33 39.52 2c9d h ASP 49 CO 1.03 0.49 -0.79 -0.62 -1.57 0.00 0.00 179.24 177.78 2c9d s ASP 50 N -6.44 1.90 0.65 6.45 -1.08 -1.26 -4.93 116.67 111.96 2c9d s ASP 50 Ca 0.04 -2.06 -0.12 0.00 -0.52 0.00 0.00 52.55 49.89 2c9d s ASP 50 Cb 0.08 0.05 -0.02 0.00 -1.46 0.00 0.00 42.92 41.57 2c9d s ASP 50 CO 0.75 -0.26 1.04 -2.84 0.52 0.00 0.00 175.17 174.38 2c9d s PRO 51 N 1.06 3.25 -0.21 4.34 0.02 -1.26 -5.01 135.00 137.19 2c9d s PRO 51 Ca 0.20 0.92 -0.29 0.00 0.02 0.00 0.00 61.00 61.84 2c9d s PRO 51 Cb -0.16 -2.03 -0.01 0.00 0.02 0.00 0.00 34.50 32.32 2c9d s PRO 51 CO -0.03 -0.85 1.25 0.99 -0.33 0.00 0.00 177.00 178.03 2c9d s THR 52 N -3.00 4.28 -0.16 0.99 2.01 -0.98 -4.94 115.64 113.85 2c9d s THR 52 Ca 0.58 1.52 -0.01 0.00 0.31 0.00 0.00 61.69 64.09 2c9d s THR 52 Cb -0.13 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 2c9d s THR 52 CO 0.51 -0.24 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.38 2c9d s VAL 53 N 3.73 2.96 -0.04 3.82 1.01 -1.26 0.68 120.40 131.30 2c9d s VAL 53 Ca 0.54 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2c9d s VAL 53 Cb -0.19 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.93 2c9d s VAL 53 CO 0.16 0.50 -0.08 -0.69 0.00 0.00 0.00 175.10 174.99 2c9d s VAL 54 N 0.72 0.77 -0.04 2.92 1.01 0.05 -4.99 120.40 120.85 2c9d s VAL 54 Ca -0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 2c9d s VAL 54 Cb -0.15 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2c9d s VAL 54 CO 0.02 0.26 0.07 -0.13 0.00 0.00 0.00 175.10 175.31 2c9d s ARG 55 N 0.47 3.09 0.32 2.72 1.81 -1.26 -1.78 118.95 124.32 2c9d s ARG 55 Ca -0.08 -0.42 0.05 0.00 -1.72 0.00 0.00 55.73 53.56 2c9d s ARG 55 Cb -0.11 -2.88 -0.06 0.00 -0.45 0.00 0.00 34.95 31.44 2c9d s ARG 55 CO 0.01 0.68 0.01 0.14 -0.68 0.00 0.00 175.30 175.46 2c9d s VAL 56 N -1.10 1.45 0.03 3.52 -7.23 -0.78 -4.95 120.40 111.34 2c9d s VAL 56 Ca 0.20 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.29 2c9d s VAL 56 Cb -0.12 -2.69 -0.28 0.00 0.56 0.00 0.00 36.38 33.86 2c9d s VAL 56 CO 0.10 -0.12 0.96 -0.07 -0.31 0.00 0.00 175.10 175.67 2c9d h LEU 57 N 2.14 0.38 -8.27 1.32 4.07 -1.95 -1.46 115.31 111.54 2c9d h LEU 57 Ca -0.41 -0.48 -0.15 0.00 0.08 0.00 0.00 57.88 56.92 2c9d h LEU 57 Cb 1.24 -0.12 -0.14 0.00 1.08 0.00 0.00 40.66 42.72 2c9d h LEU 57 CO 0.70 1.39 -0.50 -0.83 -1.08 0.00 0.00 178.44 178.13 2c9d s GLY 58 N -4.85 0.76 0.27 0.83 0.00 -1.26 -3.46 107.32 99.62 2c9d s GLY 58 Ca -0.07 -1.21 -0.00 0.00 0.00 0.00 0.00 44.72 43.44 2c9d s GLY 58 CO 0.86 -1.12 1.76 0.00 0.00 0.00 0.00 173.10 174.60 2c9d h ALA 59 N 2.72 1.13 -0.31 3.20 0.00 -1.94 -2.70 119.26 121.36 2c9d h ALA 59 Ca -0.33 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.37 2c9d h ALA 59 Cb 1.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2c9d h ALA 59 CO 0.54 0.55 0.22 0.82 0.00 0.00 0.00 179.25 181.38 2c9d h ILE 60 N 0.63 0.88 -0.00 0.00 1.08 -1.97 -1.69 117.51 116.43 2c9d h ILE 60 Ca 0.12 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 2c9d h ILE 60 Cb 0.50 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 2c9d h ILE 60 CO 0.03 0.01 -0.01 -0.62 -0.69 0.00 0.00 178.15 176.87 2c9d n GLU 61 N -4.46 0.27 0.07 2.37 4.71 -1.02 -4.23 120.64 118.35 2c9d n GLU 61 Ca 0.04 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.06 2c9d n GLU 61 Cb 0.34 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.18 2c9d n GLU 61 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2c9d h ILE 62 N 0.01 1.01 -0.62 -3.67 2.04 -1.38 -3.29 117.51 111.61 2c9d h ILE 62 Ca 0.00 -0.67 0.12 0.00 1.00 0.00 0.00 64.86 65.31 2c9d h ILE 62 Cb 0.37 1.42 -0.09 0.00 -0.74 0.00 0.00 36.82 37.78 2c9d h ILE 62 CO 0.00 0.16 0.16 -0.65 0.00 0.00 0.00 178.15 177.81 2c9d h PRO 63 N -0.50 0.28 0.00 2.37 0.11 -1.77 -1.65 132.00 130.84 2c9d h PRO 63 Ca -0.02 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2c9d h PRO 63 Cb 0.40 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 2c9d h PRO 63 CO 0.03 0.19 -0.13 -0.24 -0.21 0.00 0.00 178.00 177.64 2c9d h VAL 64 N 0.29 0.40 0.00 3.15 3.04 -1.84 -2.03 116.25 119.26 2c9d h VAL 64 Ca 0.33 -0.72 -0.24 0.00 -1.01 0.00 0.00 66.70 65.07 2c9d h VAL 64 Cb 0.49 1.52 -0.04 0.00 -2.01 0.00 0.00 31.29 31.25 2c9d h VAL 64 CO -0.40 0.12 -1.29 0.58 -1.01 0.00 0.00 177.57 175.57 2c9d h VAL 65 N 0.00 1.28 -0.21 1.51 2.07 -1.43 -3.28 116.25 116.19 2c9d h VAL 65 Ca -0.00 -3.03 -0.16 0.00 0.82 0.00 0.00 66.70 64.33 2c9d h VAL 65 Cb 0.51 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 2c9d h VAL 65 CO 0.02 0.73 -0.52 0.00 0.02 0.00 0.00 177.57 177.82 2c9d h ALA 66 N 1.03 0.70 -0.42 1.67 0.00 -0.92 -2.17 119.26 119.15 2c9d h ALA 66 Ca -0.13 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.35 2c9d h ALA 66 Cb 1.85 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.49 2c9d h ALA 66 CO 0.10 0.68 0.10 0.37 0.00 0.00 0.00 179.25 180.50 2c9d h GLN 67 N 0.47 0.23 -0.48 0.00 4.15 -1.48 0.62 115.11 118.61 2c9d h GLN 67 Ca 0.02 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 2c9d h GLN 67 Cb 1.06 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 2c9d h GLN 67 CO 0.10 0.15 -0.06 1.49 -1.93 0.00 0.00 178.83 178.59 2c9d h GLU 68 N 0.24 0.89 0.00 1.69 4.57 -1.60 -2.96 114.58 117.41 2c9d h GLU 68 Ca 0.21 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 2c9d h GLU 68 Cb 0.24 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2c9d h GLU 68 CO -0.26 0.96 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.22 2c9d h LEU 69 N 0.75 0.00 -1.60 1.64 3.38 -1.04 -2.91 115.31 115.52 2c9d h LEU 69 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2c9d h LEU 69 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2c9d h LEU 69 CO 0.04 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.80 2c9d h ALA 70 N 1.76 1.00 0.00 1.53 0.00 -0.70 -3.01 119.26 119.84 2c9d h ALA 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c9d h ALA 70 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2c9d h ALA 70 CO 0.03 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.82 2c9d n ARG 71 N -2.93 0.34 -1.18 0.00 1.74 -1.10 -3.97 116.66 109.55 2c9d n ARG 71 Ca 0.00 0.05 -0.02 0.00 -0.77 0.00 0.00 57.85 57.11 2c9d n ARG 71 Cb 0.25 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 2c9d n ARG 71 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2c9d n ASN 72 N -1.30 -0.12 -4.08 0.55 6.94 -1.15 -5.12 115.26 110.99 2c9d n ASN 72 Ca 0.11 -1.97 -0.08 0.00 -0.02 0.00 0.00 54.58 52.62 2c9d n ASN 72 Cb 0.20 0.03 -0.10 0.00 -2.36 0.00 0.00 39.78 37.55 2c9d n ASN 72 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2c9d s HIS 73 N 0.00 0.54 -0.86 -2.53 3.76 -1.17 -5.01 115.29 110.03 2c9d s HIS 73 Ca 0.14 -0.90 0.23 0.00 -0.15 0.00 0.00 55.06 54.38 2c9d s HIS 73 Cb 0.16 -0.37 0.16 0.00 1.11 0.00 0.00 32.58 33.63 2c9d s HIS 73 CO -0.07 -0.28 1.15 -0.25 -0.85 0.00 0.00 174.74 174.43 2c9d n ASP 74 N 0.46 0.67 -3.66 1.40 8.00 -0.15 -4.85 116.55 118.42 2c9d n ASP 74 Ca -0.16 -0.42 -0.13 0.00 0.71 0.00 0.00 54.79 54.79 2c9d n ASP 74 Cb 0.59 0.63 -0.08 0.00 -0.02 0.00 0.00 41.12 42.25 2c9d n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c9d s ALA 75 N -3.07 -1.54 -0.06 2.24 0.00 -1.14 -4.39 121.76 113.80 2c9d s ALA 75 Ca 0.08 1.79 0.04 0.00 0.00 0.00 0.00 51.96 53.86 2c9d s ALA 75 Cb 0.16 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2c9d s ALA 75 CO 0.78 -0.30 -0.18 0.08 0.00 0.00 0.00 175.76 176.14 2c9d s VAL 76 N 0.45 1.52 -0.18 0.00 1.01 -0.81 -1.68 120.40 120.71 2c9d s VAL 76 Ca -0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2c9d s VAL 76 Cb -0.04 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 2c9d s VAL 76 CO -0.01 0.44 -0.10 -0.69 0.00 0.00 0.00 175.10 174.74 2c9d s VAL 77 N 0.22 3.09 -0.18 2.92 1.01 -0.31 -0.67 120.40 126.49 2c9d s VAL 77 Ca -0.09 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 2c9d s VAL 77 Cb -0.14 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2c9d s VAL 77 CO 0.04 0.48 0.05 0.00 0.00 0.00 0.00 175.10 175.67 2c9d s ALA 78 N 0.95 3.34 -0.02 5.51 0.00 -0.89 -1.21 121.76 129.45 2c9d s ALA 78 Ca -0.02 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.22 2c9d s ALA 78 Cb -0.15 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 2c9d s ALA 78 CO -0.01 0.15 -0.16 -0.51 0.00 0.00 0.00 175.76 175.23 2c9d s LEU 79 N 0.43 1.99 0.00 0.00 1.43 -0.40 -0.76 118.68 121.37 2c9d s LEU 79 Ca 0.02 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2c9d s LEU 79 Cb -0.13 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.24 2c9d s LEU 79 CO 0.01 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.38 2c9d n GLY 80 N 2.80 0.29 2.89 -3.19 0.00 -1.16 -1.65 105.19 105.17 2c9d n GLY 80 Ca -0.15 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 2c9d n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9d s VAL 81 N -2.00 0.58 -0.18 1.61 1.01 -1.26 -0.14 120.40 120.02 2c9d s VAL 81 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2c9d s VAL 81 Cb 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.80 2c9d s VAL 81 CO 0.00 0.24 -0.18 -0.69 0.00 0.00 0.00 175.10 174.48 2c9d s VAL 82 N 1.05 1.97 -0.11 2.92 1.01 -0.24 -4.91 120.40 122.08 2c9d s VAL 82 Ca -0.09 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 2c9d s VAL 82 Cb -0.14 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 2c9d s VAL 82 CO -0.01 0.44 -0.07 -0.63 0.00 0.00 0.00 175.10 174.83 2c9d s ILE 83 N 1.31 3.61 0.48 2.22 1.01 -1.26 -2.42 121.20 126.14 2c9d s ILE 83 Ca 0.03 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 59.97 2c9d s ILE 83 Cb -0.14 -2.52 -0.07 0.00 0.01 0.00 0.00 42.46 39.74 2c9d s ILE 83 CO -0.11 0.55 1.25 -0.60 0.00 0.00 0.00 174.94 176.02 2c9d s ARG 84 N -0.15 3.61 0.00 2.79 3.52 -1.12 -4.96 118.95 122.64 2c9d s ARG 84 Ca 0.02 1.99 0.00 0.00 -0.13 0.00 0.00 55.73 57.61 2c9d s ARG 84 Cb -0.13 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.83 2c9d s ARG 84 CO 0.03 -0.74 0.00 0.41 -0.81 0.00 0.00 175.30 174.19 2c9d n GLY 85 N 0.58 4.19 0.13 8.12 0.00 -1.26 -4.93 105.19 112.01 2c9d n GLY 85 Ca 0.08 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.52 2c9d n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2c9d n GLN 86 N 0.00 0.99 -4.35 1.61 3.00 -1.26 -4.99 117.38 112.38 2c9d n GLN 86 Ca 0.00 -0.27 -0.25 0.00 -0.01 0.00 0.00 57.00 56.47 2c9d n GLN 86 Cb 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 30.24 28.77 2c9d n GLN 86 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2c9d s THR 87 N -2.61 2.59 -2.00 5.09 -4.23 -1.26 -5.01 115.64 108.21 2c9d s THR 87 Ca 0.10 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 2c9d s THR 87 Cb 0.15 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 71.22 2c9d s THR 87 CO 0.69 -0.20 0.58 -2.65 -0.54 0.00 0.00 174.62 172.51 2c9d n PRO 88 N -0.95 0.54 -0.34 3.99 -0.02 -1.26 -3.75 135.00 133.22 2c9d n PRO 88 Ca -0.04 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.42 2c9d n PRO 88 Cb 0.62 -1.03 0.11 0.00 -0.02 0.00 0.00 33.50 33.19 2c9d n PRO 88 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2c9d h HIS 89 N 0.00 1.12 -0.84 6.00 2.76 -1.98 -2.55 115.15 119.66 2c9d h HIS 89 Ca 0.00 0.03 0.20 0.00 -2.20 0.00 0.00 60.37 58.40 2c9d h HIS 89 Cb 0.00 -0.38 -0.12 0.00 1.55 0.00 0.00 27.41 28.46 2c9d h HIS 89 CO 0.00 0.67 0.29 0.35 -1.30 0.00 0.00 177.93 177.94 2c9d h PHE 90 N 1.18 0.46 0.00 5.26 3.57 -1.93 -0.59 116.94 124.89 2c9d h PHE 90 Ca 0.35 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 2c9d h PHE 90 Cb -0.06 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2c9d h PHE 90 CO -0.01 -0.09 -0.18 -0.44 -2.23 0.00 0.00 178.31 175.36 2c9d h ASP 91 N 0.32 0.00 0.81 0.41 5.19 -1.76 -3.04 116.42 118.35 2c9d h ASP 91 Ca 0.51 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.79 2c9d h ASP 91 Cb 0.94 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.43 2c9d h ASP 91 CO -0.55 0.18 -1.28 1.88 -3.12 0.00 0.00 179.24 176.35 2c9d h TYR 92 N 0.00 0.00 -0.17 4.55 0.05 -1.18 -2.90 116.97 117.32 2c9d h TYR 92 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 2c9d h TYR 92 Cb 0.36 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.09 2c9d h TYR 92 CO 0.00 0.45 -0.05 0.28 -1.05 0.00 0.00 178.16 177.79 2c9d h VAL 93 N 0.00 1.29 -0.34 -2.88 2.07 -1.39 -2.91 116.25 112.10 2c9d h VAL 93 Ca -0.12 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 2c9d h VAL 93 Cb 1.45 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 2c9d h VAL 93 CO 0.04 0.31 -0.02 0.00 0.02 0.00 0.00 177.57 177.92 2c9d h ASP 95 N 0.51 -0.12 -0.28 0.00 3.32 -1.49 -2.07 116.42 116.29 2c9d h ASP 95 Ca 0.11 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2c9d h ASP 95 Cb 0.36 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2c9d h ASP 95 CO 0.01 -0.04 0.18 0.00 -1.72 0.00 0.00 179.24 177.67 2c9d h ALA 96 N 1.12 0.36 -0.53 3.45 0.00 -1.38 -2.12 119.26 120.16 2c9d h ALA 96 Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2c9d h ALA 96 Cb 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2c9d h ALA 96 CO -0.13 -0.18 0.34 0.28 0.00 0.00 0.00 179.25 179.56 2c9d h VAL 97 N 0.37 1.10 -0.24 0.00 2.07 -1.42 0.70 116.25 118.83 2c9d h VAL 97 Ca 0.10 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2c9d h VAL 97 Cb -0.03 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2c9d h VAL 97 CO -0.03 0.12 0.13 0.00 0.02 0.00 0.00 177.57 177.81 2c9d h THR 98 N 0.68 1.12 -0.46 2.57 1.03 -1.22 -2.05 112.91 114.59 2c9d h THR 98 Ca 0.20 -0.33 -0.03 0.00 -0.01 0.00 0.00 66.41 66.25 2c9d h THR 98 Cb -0.03 0.90 -0.02 0.00 -1.07 0.00 0.00 68.15 67.93 2c9d h THR 98 CO -0.07 0.12 0.18 -0.61 -0.01 0.00 0.00 175.52 175.13 2c9d h GLN 99 N 0.27 0.68 0.54 0.00 4.15 -1.13 -2.79 115.11 116.83 2c9d h GLN 99 Ca 0.08 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 2c9d h GLN 99 Cb 0.08 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 27.66 2c9d h GLN 99 CO -0.01 0.62 -0.26 0.78 -1.93 0.00 0.00 178.83 178.03 2c9d h GLY 100 N 0.60 -0.75 0.99 2.39 0.00 -0.79 -2.34 103.07 103.16 2c9d h GLY 100 Ca 0.15 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 2c9d h GLY 100 CO -0.01 -0.27 0.31 1.41 0.00 0.00 0.00 176.54 177.97 2c9d h LEU 101 N -0.85 0.65 -0.42 3.11 3.38 -1.45 -1.26 115.31 118.47 2c9d h LEU 101 Ca -0.07 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2c9d h LEU 101 Cb 0.60 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2c9d h LEU 101 CO 0.12 0.53 0.22 0.74 0.09 0.00 0.00 178.44 180.13 2c9d h THR 102 N 0.71 0.98 -0.84 0.22 2.02 -1.55 -1.74 112.91 112.70 2c9d h THR 102 Ca 0.19 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 2c9d h THR 102 Cb 0.01 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 2c9d h THR 102 CO -0.03 0.08 0.40 -0.09 0.37 0.00 0.00 175.52 176.24 2c9d h ARG 103 N 0.44 1.22 -0.32 6.66 2.43 -1.08 -3.04 114.38 120.68 2c9d h ARG 103 Ca 0.18 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2c9d h ARG 103 Cb 0.08 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2c9d h ARG 103 CO -0.12 0.95 0.04 0.28 -1.51 0.00 0.00 179.97 179.60 2c9d h VAL 104 N 1.21 1.24 -0.69 0.20 2.07 -0.85 -2.08 116.25 117.33 2c9d h VAL 104 Ca 0.29 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 67.01 2c9d h VAL 104 Cb 0.13 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 2c9d h VAL 104 CO -0.03 0.28 0.39 0.77 0.02 0.00 0.00 177.57 179.00 2c9d h SER 105 N 0.37 0.59 0.79 0.57 4.64 -1.27 -2.07 113.55 117.16 2c9d h SER 105 Ca 0.10 0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.23 2c9d h SER 105 Cb 0.37 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 2c9d h SER 105 CO 0.01 0.38 -1.02 -0.07 -0.87 0.00 0.00 176.83 175.26 2c9d h LEU 106 N 0.72 0.17 -0.65 5.97 3.38 -1.50 -0.15 115.31 123.26 2c9d h LEU 106 Ca 0.31 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2c9d h LEU 106 Cb 0.19 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2c9d h LEU 106 CO -0.18 1.08 0.17 0.44 0.09 0.00 0.00 178.44 180.03 2c9d h ASP 107 N 0.04 0.98 -0.01 -0.43 3.45 -1.15 -3.27 116.42 116.03 2c9d h ASP 107 Ca -0.05 -0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.18 2c9d h ASP 107 Cb 1.73 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 40.24 2c9d h ASP 107 CO 0.15 0.95 -0.46 -1.54 -1.57 0.00 0.00 179.24 176.77 2c9d n SER 108 N -4.31 1.93 -3.82 6.45 3.41 -0.80 -4.99 113.62 111.49 2c9d n SER 108 Ca 0.04 -1.47 -0.24 0.00 -0.26 0.00 0.00 58.87 56.95 2c9d n SER 108 Cb 0.24 0.49 0.01 0.00 -0.26 0.00 0.00 64.21 64.70 2c9d n SER 108 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2c9d n SER 109 N -0.08 -1.33 -3.93 4.04 7.64 -0.15 -5.00 113.62 114.81 2c9d n SER 109 Ca 0.09 -0.88 -0.19 0.00 1.01 0.00 0.00 58.87 58.90 2c9d n SER 109 Cb 0.44 -3.66 -0.16 0.00 -1.01 0.00 0.00 64.21 59.82 2c9d n SER 109 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2c9d s THR 110 N -3.71 0.53 -0.04 0.44 2.01 -0.73 -5.04 115.64 109.09 2c9d s THR 110 Ca 0.10 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 2c9d s THR 110 Cb -0.05 -0.52 -0.06 0.00 0.01 0.00 0.00 72.50 71.88 2c9d s THR 110 CO 0.84 0.20 1.78 -2.84 -0.69 0.00 0.00 174.62 173.91 2c9d s PRO 111 N 0.49 4.09 -0.66 4.92 0.02 -1.26 -4.42 135.00 138.17 2c9d s PRO 111 Ca -0.06 2.28 -0.05 0.00 0.02 0.00 0.00 61.00 63.18 2c9d s PRO 111 Cb -0.10 -4.07 0.17 0.00 0.02 0.00 0.00 34.50 30.52 2c9d s PRO 111 CO 0.00 -0.98 0.50 0.42 -0.33 0.00 0.00 177.00 176.61 2c9d s ILE 112 N 4.48 4.11 0.34 2.83 -1.09 -1.26 -1.93 121.20 128.68 2c9d s ILE 112 Ca 0.80 -2.82 -0.29 0.00 -2.23 0.00 0.00 60.65 56.10 2c9d s ILE 112 Cb -0.36 -3.65 -0.11 0.00 -1.58 0.00 0.00 42.46 36.77 2c9d s ILE 112 CO 0.34 -0.90 1.52 0.00 -1.23 0.00 0.00 174.94 174.66 2c9d s ALA 113 N 0.03 3.63 -0.47 9.38 0.00 0.16 -4.90 121.76 129.59 2c9d s ALA 113 Ca 0.17 1.57 -0.14 0.00 0.00 0.00 0.00 51.96 53.55 2c9d s ALA 113 Cb -0.18 -3.62 0.08 0.00 0.00 0.00 0.00 23.12 19.40 2c9d s ALA 113 CO -0.04 -1.02 0.38 1.21 0.00 0.00 0.00 175.76 176.29 2c9d s ASN 114 N 0.08 6.04 -0.32 0.00 2.47 -1.26 -2.09 114.94 119.86 2c9d s ASN 114 Ca 0.56 -1.45 0.07 0.00 0.42 0.00 0.00 52.86 52.46 2c9d s ASN 114 Cb -0.47 -2.14 0.45 0.00 -1.45 0.00 0.00 41.25 37.64 2c9d s ASN 114 CO 0.57 -0.66 1.18 0.61 -3.72 0.00 0.00 177.10 175.08 2c9d n GLY 115 N 5.14 6.33 3.45 1.21 0.00 0.06 -4.88 105.19 116.50 2c9d n GLY 115 Ca -0.12 -2.69 -0.42 0.00 0.00 0.00 0.00 46.02 42.79 2c9d n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9d s VAL 116 N -4.79 5.08 0.40 1.61 1.01 -1.24 -3.00 120.40 119.47 2c9d s VAL 116 Ca 0.50 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 2c9d s VAL 116 Cb 0.41 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 2c9d s VAL 116 CO -0.01 -0.21 1.21 -0.76 0.00 0.00 0.00 175.10 175.33 2c9d s LEU 117 N 1.66 4.21 -0.31 3.92 1.43 0.81 -4.93 118.68 125.47 2c9d s LEU 117 Ca 0.05 2.44 -0.03 0.00 -1.03 0.00 0.00 54.13 55.56 2c9d s LEU 117 Cb -0.19 -3.97 0.11 0.00 0.03 0.00 0.00 46.19 42.17 2c9d s LEU 117 CO 0.09 -0.72 0.14 0.42 0.23 0.00 0.00 176.35 176.52 2c9d s THR 118 N -1.35 0.18 0.36 5.49 -4.23 -1.26 -1.08 115.64 113.74 2c9d s THR 118 Ca 0.57 -1.09 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 2c9d s THR 118 Cb -0.33 -1.16 -0.07 0.00 1.34 0.00 0.00 72.50 72.28 2c9d s THR 118 CO 0.42 -0.77 -0.05 0.42 -0.54 0.00 0.00 174.62 174.10 2c9d s THR 119 N 1.79 2.02 -0.05 3.99 -4.23 -1.02 -5.04 115.64 113.10 2c9d s THR 119 Ca 0.11 -2.12 0.03 0.00 -1.18 0.00 0.00 61.69 58.53 2c9d s THR 119 Cb -0.18 -2.74 -0.25 0.00 1.34 0.00 0.00 72.50 70.67 2c9d s THR 119 CO -0.27 -0.14 0.63 0.78 -0.54 0.00 0.00 174.62 175.07 2c9d h ASN 120 N 1.98 0.21 -3.78 3.99 2.35 -1.95 -2.96 115.58 115.43 2c9d h ASN 120 Ca -0.42 -0.42 -0.41 0.00 -0.55 0.00 0.00 56.30 54.50 2c9d h ASN 120 Cb 1.24 -0.07 -0.14 0.00 0.05 0.00 0.00 38.32 39.40 2c9d h ASN 120 CO 0.73 1.37 -0.63 0.42 -1.65 0.00 0.00 177.43 177.68 2c9d s THR 121 N -2.59 0.98 0.21 2.81 -4.23 -1.26 -4.47 115.64 107.10 2c9d s THR 121 Ca -0.11 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.38 2c9d s THR 121 Cb 0.07 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 2c9d s THR 121 CO 0.81 -0.12 1.55 -0.08 -0.54 0.00 0.00 174.62 176.24 2c9d h GLU 122 N 2.31 0.47 -0.62 3.99 4.81 -1.97 -3.16 114.58 120.41 2c9d h GLU 122 Ca -0.39 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 58.55 2c9d h GLU 122 Cb 1.24 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 2c9d h GLU 122 CO 0.66 0.88 0.37 1.49 -0.73 0.00 0.00 179.01 181.67 2c9d h GLU 123 N 0.37 0.85 -0.63 1.92 4.81 -1.99 -2.15 114.58 117.75 2c9d h GLU 123 Ca 0.01 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2c9d h GLU 123 Cb 1.04 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.17 2c9d h GLU 123 CO 0.09 0.61 0.28 1.96 -0.73 0.00 0.00 179.01 181.23 2c9d h GLN 124 N 0.84 0.48 -0.40 1.92 4.20 -1.98 -1.56 115.11 118.61 2c9d h GLN 124 Ca 0.22 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 2c9d h GLN 124 Cb -0.01 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2c9d h GLN 124 CO -0.04 0.32 0.03 0.00 -0.67 0.00 0.00 178.83 178.46 2c9d h ALA 125 N 1.40 0.53 -0.70 3.87 0.00 -1.48 -2.95 119.26 119.94 2c9d h ALA 125 Ca 0.31 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2c9d h ALA 125 Cb 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2c9d h ALA 125 CO -0.27 0.29 0.46 -0.07 0.00 0.00 0.00 179.25 179.65 2c9d h LEU 126 N 0.52 0.71 0.00 0.00 3.38 -1.01 -2.48 115.31 116.43 2c9d h LEU 126 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2c9d h LEU 126 Cb 0.44 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2c9d h LEU 126 CO 0.02 0.48 0.00 -0.67 0.09 0.00 0.00 178.44 178.36 2c9d n ASP 127 N -4.46 0.00 -0.17 -0.43 2.03 -0.62 -3.27 116.55 109.63 2c9d n ASP 127 Ca 0.09 0.44 0.08 0.00 0.52 0.00 0.00 54.79 55.92 2c9d n ASP 127 Cb 0.14 -0.48 0.12 0.00 -0.72 0.00 0.00 41.12 40.19 2c9d n ASP 127 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2c9d n ARG 128 N -1.48 1.90 -0.02 -0.67 1.74 -0.94 -1.71 116.66 115.48 2c9d n ARG 128 Ca 0.07 -2.36 0.05 0.00 -0.77 0.00 0.00 57.85 54.83 2c9d n ARG 128 Cb 0.28 -1.43 -0.13 0.00 -1.02 0.00 0.00 32.46 30.17 2c9d n ARG 128 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c9d n ALA 129 N -1.06 2.39 -0.15 7.54 0.00 -1.18 -2.26 120.51 125.79 2c9d n ALA 129 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2c9d n ALA 129 Cb 0.58 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2c9d n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c9d n GLY 130 N 1.64 1.74 3.86 0.00 0.00 -0.95 -3.95 105.19 107.53 2c9d n GLY 130 Ca -0.09 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 2c9d n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9d s LEU 131 N -0.01 2.90 0.23 0.99 1.43 -1.26 -4.91 118.68 118.04 2c9d s LEU 131 Ca 0.00 1.26 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 2c9d s LEU 131 Cb 0.00 -4.05 0.60 0.00 0.03 0.00 0.00 46.19 42.76 2c9d s LEU 131 CO 0.00 -1.43 1.14 -2.65 0.23 0.00 0.00 176.35 173.64 2c9d n PRO 132 N -3.08 -0.06 -0.66 1.29 -0.02 -1.26 -0.86 135.00 130.35 2c9d n PRO 132 Ca 0.07 1.09 0.00 0.00 -2.02 0.00 0.00 63.50 62.64 2c9d n PRO 132 Cb 0.56 -1.75 0.21 0.00 -0.02 0.00 0.00 33.50 32.51 2c9d n PRO 132 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2c9d n THR 133 N -4.97 2.43 -2.68 3.45 -2.24 -1.26 -5.03 114.28 103.97 2c9d n THR 133 Ca 0.18 -2.54 -0.32 0.00 -2.27 0.00 0.00 64.05 59.11 2c9d n THR 133 Cb 0.60 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.49 2c9d n THR 133 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2c9d s SER 134 N -2.46 6.64 0.19 3.42 1.04 -0.04 -5.00 113.70 117.50 2c9d s SER 134 Ca 0.43 1.41 0.10 0.00 0.48 0.00 0.00 55.95 58.36 2c9d s SER 134 Cb 0.38 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2c9d s SER 134 CO 0.02 -0.45 1.40 0.00 0.98 0.00 0.00 173.24 175.18 2c9d h ALA 135 N 1.30 0.56 -2.91 5.32 0.00 -1.67 -3.47 119.26 118.40 2c9d h ALA 135 Ca -0.47 -0.73 -0.11 0.00 0.00 0.00 0.00 54.91 53.60 2c9d h ALA 135 Cb 1.18 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2c9d h ALA 135 CO 0.63 1.00 -0.03 -1.83 0.00 0.00 0.00 179.25 179.02 2c9d s GLU 136 N -2.98 1.83 -0.31 0.00 -1.05 -1.12 -5.07 118.70 110.00 2c9d s GLU 136 Ca 0.01 -1.42 -0.02 0.00 -0.15 0.00 0.00 54.97 53.38 2c9d s GLU 136 Cb 0.10 0.51 0.11 0.00 -0.44 0.00 0.00 34.13 34.41 2c9d s GLU 136 CO 0.79 -0.79 0.15 0.34 0.95 0.00 0.00 175.26 176.69 2c9d s ASP 137 N -3.09 3.51 0.40 0.83 2.15 -1.26 -2.24 116.67 116.98 2c9d s ASP 137 Ca 0.22 -1.59 0.10 0.00 0.43 0.00 0.00 52.55 51.72 2c9d s ASP 137 Cb -0.02 -0.47 0.84 0.00 -0.30 0.00 0.00 42.92 42.97 2c9d s ASP 137 CO 0.13 -0.40 1.96 0.11 -0.17 0.00 0.00 175.17 176.79 2c9d h LYS 138 N 8.00 0.24 -0.60 4.34 1.79 -1.70 -2.66 116.57 125.99 2c9d h LYS 138 Ca -0.13 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 2c9d h LYS 138 Cb 1.00 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.58 2c9d h LYS 138 CO 0.41 0.33 0.31 0.78 -1.08 0.00 0.00 179.45 180.20 2c9d h GLY 139 N 0.64 0.89 0.66 3.86 0.00 -1.84 -1.32 103.07 105.96 2c9d h GLY 139 Ca 0.05 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 2c9d h GLY 139 CO 0.01 0.38 -0.46 0.00 0.00 0.00 0.00 176.54 176.48 2c9d h ALA 140 N 1.50 0.06 -0.48 3.60 0.00 -1.69 -3.07 119.26 119.18 2c9d h ALA 140 Ca 0.21 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.65 2c9d h ALA 140 Cb 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2c9d h ALA 140 CO -0.03 0.25 0.19 1.96 0.00 0.00 0.00 179.25 181.62 2c9d h GLN 141 N -0.25 0.37 -0.59 0.00 4.20 -1.39 -2.09 115.11 115.35 2c9d h GLN 141 Ca -0.06 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2c9d h GLN 141 Cb 1.19 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 2c9d h GLN 141 CO 0.09 0.24 0.36 0.00 -0.67 0.00 0.00 178.83 178.85 2c9d h ALA 142 N 1.30 0.75 -0.54 3.87 0.00 -1.34 -1.57 119.26 121.74 2c9d h ALA 142 Ca 0.22 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2c9d h ALA 142 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2c9d h ALA 142 CO -0.21 0.22 -0.04 1.15 0.00 0.00 0.00 179.25 180.37 2c9d h THR 143 N 0.79 1.27 -0.51 0.00 2.02 -1.41 -1.38 112.91 113.69 2c9d h THR 143 Ca 0.21 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 2c9d h THR 143 Cb -0.03 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2c9d h THR 143 CO -0.04 0.42 0.30 0.58 0.37 0.00 0.00 175.52 177.15 2c9d h VAL 144 N 0.86 1.15 -0.28 3.16 2.07 -1.20 -1.74 116.25 120.26 2c9d h VAL 144 Ca 0.15 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 2c9d h VAL 144 Cb 0.59 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2c9d h VAL 144 CO 0.04 0.15 -0.10 0.00 0.02 0.00 0.00 177.57 177.68 2c9d h ALA 145 N 1.64 0.39 0.25 1.67 0.00 -0.80 -2.78 119.26 119.63 2c9d h ALA 145 Ca 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2c9d h ALA 145 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2c9d h ALA 145 CO -0.03 0.24 -0.12 0.00 0.00 0.00 0.00 179.25 179.34 2c9d h ALA 146 N 0.76 -0.33 -0.96 0.00 0.00 -0.98 -2.58 119.26 115.18 2c9d h ALA 146 Ca 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2c9d h ALA 146 Cb 0.60 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2c9d h ALA 146 CO 0.03 -0.58 0.62 -0.07 0.00 0.00 0.00 179.25 179.26 2c9d h LEU 147 N -0.54 1.05 -0.33 0.00 3.38 -1.41 -1.64 115.31 115.82 2c9d h LEU 147 Ca -0.03 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2c9d h LEU 147 Cb 0.40 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2c9d h LEU 147 CO 0.06 0.72 -0.37 0.00 0.09 0.00 0.00 178.44 178.94 2c9d h ALA 148 N 1.39 0.49 -0.48 1.53 0.00 -1.53 -2.55 119.26 118.11 2c9d h ALA 148 Ca 0.38 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2c9d h ALA 148 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2c9d h ALA 148 CO -0.12 0.57 -0.03 1.15 0.00 0.00 0.00 179.25 180.83 2c9d h THR 149 N 0.61 1.25 -0.68 0.00 2.02 -1.20 -1.90 112.91 113.02 2c9d h THR 149 Ca 0.05 -1.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.11 2c9d h THR 149 Cb 0.96 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 2c9d h THR 149 CO 0.09 0.37 0.23 0.00 0.37 0.00 0.00 175.52 176.58 2c9d h ALA 150 N 1.21 0.88 -0.42 6.16 0.00 -1.28 -1.90 119.26 123.91 2c9d h ALA 150 Ca 0.14 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2c9d h ALA 150 Cb 0.50 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2c9d h ALA 150 CO 0.03 0.55 -0.15 -0.07 0.00 0.00 0.00 179.25 179.60 2c9d h LEU 151 N 0.98 0.79 -0.00 0.00 3.38 -1.22 -1.90 115.31 117.34 2c9d h LEU 151 Ca 0.22 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2c9d h LEU 151 Cb 0.27 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2c9d h LEU 151 CO -0.01 0.95 0.00 0.74 0.09 0.00 0.00 178.44 180.21 2c9d h THR 152 N 0.71 1.12 -0.72 0.22 2.02 -1.23 -2.28 112.91 112.74 2c9d h THR 152 Ca 0.11 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.96 2c9d h THR 152 Cb 0.65 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 2c9d h THR 152 CO 0.05 0.09 0.48 -0.07 0.37 0.00 0.00 175.52 176.43 2c9d h LEU 153 N -0.14 0.81 -0.84 2.58 3.38 -1.29 -0.66 115.31 119.15 2c9d h LEU 153 Ca 0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2c9d h LEU 153 Cb 0.14 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2c9d h LEU 153 CO -0.00 0.58 0.55 -0.09 0.09 0.00 0.00 178.44 179.56 2c9d h ARG 154 N 0.95 1.05 -0.08 1.13 2.43 -1.18 -1.24 114.38 117.44 2c9d h ARG 154 Ca 0.27 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.19 2c9d h ARG 154 Cb -0.06 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 29.26 2c9d h ARG 154 CO -0.06 0.70 -0.68 1.49 -1.51 0.00 0.00 179.97 179.91 2c9d h GLU 155 N 1.08 0.60 -0.36 0.20 4.57 -0.74 -3.29 114.58 116.65 2c9d h GLU 155 Ca 0.32 -0.54 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 2c9d h GLU 155 Cb -0.05 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2c9d h GLU 155 CO -0.09 1.16 0.18 -0.07 -1.18 0.00 0.00 179.01 179.01 2c9d h LEU 156 N 0.23 0.46-10.40 1.64 3.38 -1.07 -3.46 115.31 106.08 2c9d h LEU 156 Ca -0.06 -0.11 -0.41 0.00 0.09 0.00 0.00 57.88 57.39 2c9d h LEU 156 Cb 1.33 -0.12 0.19 0.00 0.09 0.00 0.00 40.66 42.16 2c9d h LEU 156 CO 0.14 0.43 0.13 -0.13 0.09 0.00 0.00 178.44 179.10 2c9d s ARG 157 N -5.78 -1.30 -0.09 1.13 0.52 -0.48 -4.92 118.95 108.03 2c9d s ARG 157 Ca -0.13 -0.10 -0.29 0.00 -0.52 0.00 0.00 55.73 54.69 2c9d s ARG 157 Cb 0.10 -1.59 -0.05 0.00 0.52 0.00 0.00 34.95 33.93 2c9d s ARG 157 CO 0.73 -3.76 1.63 0.00 0.02 0.00 0.00 175.30 173.92 2c9d s ALA 158 N -3.01 3.56 0.23 2.13 0.00 -1.26 -4.97 121.76 118.43 2c9d s ALA 158 Ca 0.71 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 53.29 2c9d s ALA 158 Cb -0.09 -3.76 0.07 0.00 0.00 0.00 0.00 23.12 19.34 2c9d s ALA 158 CO 0.56 -1.48 0.96 -3.38 0.00 0.00 0.00 175.76 172.42 2c9d s HIS 159 N 4.23 0.04 0.00 0.00 -3.43 -1.26 -5.11 115.29 109.76 2c9d s HIS 159 Ca 0.72 -0.49 0.00 0.00 -0.80 0.00 0.00 55.06 54.49 2c9d s HIS 159 Cb -0.31 0.72 0.00 0.00 -1.43 0.00 0.00 32.58 31.56 2c9d s HIS 159 CO 0.28 -1.06 0.00 0.45 -2.00 0.00 0.00 174.74 172.41