#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9d n ALA 15 N 0.00 0.00 0.47 -1.67 0.00 -1.26 -4.48 120.51 113.57 2c9d n ALA 15 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2c9d n ALA 15 Cb 0.00 -0.02 0.40 0.00 0.00 0.00 0.00 19.45 19.83 2c9d n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2c9d n SER 16 N 0.18 0.31 -0.00 0.00 3.41 -1.25 -2.64 113.62 113.63 2c9d n SER 16 Ca 0.00 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.29 2c9d n SER 16 Cb 0.00 -0.64 -0.12 0.00 -0.26 0.00 0.00 64.21 63.19 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 0.05 -1.01 3.76 5.00 0.00 -1.26 -4.92 105.19 106.81 2c9d n GLY 17 Ca 0.03 -0.57 -0.40 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 -3.12 3.47 -0.39 1.61 1.01 -1.08 -5.03 120.40 116.87 2c9d s VAL 18 Ca 0.04 1.46 -0.12 0.00 0.00 0.00 0.00 61.98 63.37 2c9d s VAL 18 Cb 0.16 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.63 2c9d s VAL 18 CO 0.88 0.34 0.25 0.00 0.00 0.00 0.00 175.10 176.57 2c9d s ARG 19 N -1.38 2.85 -0.06 2.72 1.70 -1.26 -5.01 118.95 118.52 2c9d s ARG 19 Ca 0.45 -1.11 -0.03 0.00 -0.47 0.00 0.00 55.73 54.57 2c9d s ARG 19 Cb -0.32 -3.83 -0.04 0.00 -0.57 0.00 0.00 34.95 30.19 2c9d s ARG 19 CO 0.41 -0.75 0.11 -1.17 -1.08 0.00 0.00 175.30 172.82 2c9d s LEU 20 N 1.59 4.13 0.01 -1.89 2.96 -1.26 -0.67 118.68 123.56 2c9d s LEU 20 Ca 0.03 0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.29 2c9d s LEU 20 Cb -0.20 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 2c9d s LEU 20 CO 0.07 0.33 -0.13 0.00 -1.32 0.00 0.00 176.35 175.31 2c9d s ALA 21 N -1.12 1.09 -0.10 5.97 0.00 -0.64 -2.31 121.76 124.65 2c9d s ALA 21 Ca 0.20 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2c9d s ALA 21 Cb -0.12 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2c9d s ALA 21 CO 0.10 0.24 -0.10 0.42 0.00 0.00 0.00 175.76 176.42 2c9d s ILE 22 N -0.54 1.10 -0.16 0.00 1.01 0.19 -1.10 121.20 121.70 2c9d s ILE 22 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.31 2c9d s ILE 22 Cb -0.06 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.33 2c9d s ILE 22 CO 0.00 0.37 -0.15 0.54 0.00 0.00 0.00 174.94 175.70 2c9d s VAL 23 N 1.36 2.60 -0.02 2.92 0.11 -0.37 -0.79 120.40 126.21 2c9d s VAL 23 Ca -0.01 -0.78 0.02 0.00 -2.93 0.00 0.00 61.98 58.28 2c9d s VAL 23 Cb -0.14 -2.11 0.01 0.00 -1.53 0.00 0.00 36.38 32.61 2c9d s VAL 23 CO -0.05 0.51 -0.07 0.00 -3.33 0.00 0.00 175.10 172.16 2c9d s ALA 24 N 0.96 0.72 0.61 1.54 0.00 -0.79 -1.25 121.76 123.56 2c9d s ALA 24 Ca -0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.60 2c9d s ALA 24 Cb -0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2c9d s ALA 24 CO -0.03 0.10 0.98 -1.54 0.00 0.00 0.00 175.76 175.27 2c9d s SER 25 N 0.29 5.94 -0.11 0.00 1.04 -0.73 -2.00 113.70 118.13 2c9d s SER 25 Ca -0.04 1.14 0.15 0.00 0.48 0.00 0.00 55.95 57.68 2c9d s SER 25 Cb -0.09 -2.17 -0.22 0.00 0.10 0.00 0.00 66.02 63.64 2c9d s SER 25 CO 0.00 -0.96 0.18 -1.20 0.98 0.00 0.00 173.24 172.24 2c9d n SER 26 N -2.69 1.05 -4.63 7.02 7.64 -0.61 -4.81 113.62 116.58 2c9d n SER 26 Ca 0.05 0.00 -0.59 0.00 1.01 0.00 0.00 58.87 59.34 2c9d n SER 26 Cb 0.56 1.23 -0.08 0.00 -1.01 0.00 0.00 64.21 64.91 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 -2.41 1.49 -2.93 1.43 -0.00 -1.23 -2.00 117.44 111.80 2c9d n TRP 27 Ca -0.17 0.83 -0.09 0.00 -0.00 0.00 0.00 57.50 58.07 2c9d n TRP 27 Cb 0.81 -2.28 0.01 0.00 -0.00 0.00 0.00 31.31 29.84 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 3.33 -3.36 -0.15 5.87 8.25 -1.26 -4.66 115.22 123.23 2c9d n HIS 28 Ca 0.24 1.35 -0.10 0.00 -0.26 0.00 0.00 57.72 58.95 2c9d n HIS 28 Cb 0.09 -3.95 -0.01 0.00 1.12 0.00 0.00 29.99 27.25 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 1.77 0.81 0.61 -1.41 0.00 -1.77 -3.03 103.07 100.04 2c9d h GLY 29 Ca -0.04 -0.56 0.03 0.00 0.00 0.00 0.00 47.33 46.75 2c9d h GLY 29 CO 0.22 0.52 -0.15 0.50 0.00 0.00 0.00 176.54 177.63 2c9d h LYS 30 N 0.60 -0.22 -0.83 4.80 1.57 -1.93 -1.98 116.57 118.58 2c9d h LYS 30 Ca 0.13 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2c9d h LYS 30 Cb 0.42 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 2c9d h LYS 30 CO 0.01 -0.15 0.44 0.82 -0.57 0.00 0.00 179.45 180.00 2c9d h ILE 31 N -0.23 1.25 -0.62 1.86 2.04 -1.94 -2.49 117.51 117.37 2c9d h ILE 31 Ca 0.06 -0.63 0.09 0.00 1.00 0.00 0.00 64.86 65.38 2c9d h ILE 31 Cb 0.31 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 36.47 2c9d h ILE 31 CO -0.16 0.28 0.25 0.00 0.00 0.00 0.00 178.15 178.52 2c9d h ASP 33 N 0.44 1.10 0.56 0.00 5.19 -0.93 0.98 116.42 123.76 2c9d h ASP 33 Ca 0.31 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.62 2c9d h ASP 33 Cb 0.36 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 39.60 2c9d h ASP 33 CO -0.29 0.85 -0.27 0.00 -3.12 0.00 0.00 179.24 176.41 2c9d h ALA 34 N 1.33 -0.76 -0.58 3.45 0.00 -1.08 0.50 119.26 122.12 2c9d h ALA 34 Ca 0.32 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.16 2c9d h ALA 34 Cb -0.03 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 2c9d h ALA 34 CO -0.06 -0.89 0.10 -0.07 0.00 0.00 0.00 179.25 178.34 2c9d h LEU 35 N -0.83 -0.05 -1.11 0.00 3.38 -0.91 -0.89 115.31 114.90 2c9d h LEU 35 Ca -0.08 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2c9d h LEU 35 Cb 0.61 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2c9d h LEU 35 CO 0.13 -0.01 -0.14 0.25 0.09 0.00 0.00 178.44 178.76 2c9d h LEU 36 N 0.23 0.45 -0.65 1.67 5.85 -0.74 -2.88 115.31 119.24 2c9d h LEU 36 Ca 0.31 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 2c9d h LEU 36 Cb 0.46 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2c9d h LEU 36 CO -0.41 0.62 -0.26 -0.78 -0.34 0.00 0.00 178.44 177.26 2c9d h ASP 37 N 0.43 0.79 -0.43 1.25 -0.00 0.42 -2.64 116.42 116.25 2c9d h ASP 37 Ca 0.08 -0.30 -0.02 0.00 -0.00 0.00 0.00 57.03 56.78 2c9d h ASP 37 Cb 0.50 -0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 39.59 2c9d h ASP 37 CO 0.03 1.01 0.17 1.23 -0.00 0.00 0.00 179.24 181.68 2c9d h GLY 38 N 0.96 0.69 0.85 -0.78 0.00 -1.16 -2.81 103.07 100.81 2c9d h GLY 38 Ca 0.08 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.06 2c9d h GLY 38 CO 0.06 0.35 0.06 0.00 0.00 0.00 0.00 176.54 177.02 2c9d h ALA 39 N 1.01 0.20 -0.79 3.60 0.00 -1.42 -2.65 119.26 119.21 2c9d h ALA 39 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2c9d h ALA 39 Cb 0.19 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2c9d h ALA 39 CO -0.01 -0.37 0.43 0.00 0.00 0.00 0.00 179.25 179.30 2c9d h ARG 40 N 0.15 1.10 0.27 0.00 3.08 -1.47 -1.22 114.38 116.29 2c9d h ARG 40 Ca 0.08 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2c9d h ARG 40 Cb 0.05 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.88 2c9d h ARG 40 CO -0.08 0.80 -0.13 0.87 -1.07 0.00 0.00 179.97 180.36 2c9d h LYS 41 N 1.10 -0.36 -0.93 0.04 1.79 -1.32 -0.41 116.57 116.49 2c9d h LYS 41 Ca 0.28 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.82 2c9d h LYS 41 Cb 0.02 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 2c9d h LYS 41 CO -0.05 -0.18 0.60 0.28 -1.08 0.00 0.00 179.45 179.03 2c9d h VAL 42 N -0.45 1.11 -0.25 0.50 2.07 -1.37 -0.40 116.25 117.46 2c9d h VAL 42 Ca -0.04 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.13 2c9d h VAL 42 Cb 0.34 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 2c9d h VAL 42 CO 0.06 0.21 0.02 0.00 0.02 0.00 0.00 177.57 177.88 2c9d h ALA 43 N 1.40 0.24 -0.48 1.67 0.00 -0.96 -2.05 119.26 119.09 2c9d h ALA 43 Ca 0.39 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.24 2c9d h ALA 43 Cb 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2c9d h ALA 43 CO -0.15 -0.39 -0.16 0.00 0.00 0.00 0.00 179.25 178.55 2c9d h ALA 44 N 1.20 0.81 -0.92 0.00 0.00 -0.53 -1.22 119.26 118.59 2c9d h ALA 44 Ca 0.12 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2c9d h ALA 44 Cb 0.14 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2c9d h ALA 44 CO -0.18 0.65 0.60 0.78 0.00 0.00 0.00 179.25 181.11 2c9d h GLY 45 N 0.94 1.36 -1.07 0.00 0.00 -0.88 -2.21 103.07 101.20 2c9d h GLY 45 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2c9d h GLY 45 CO 0.05 0.32 0.00 0.00 0.00 0.00 0.00 176.54 176.91 2c9d n GLY 47 N 0.91 0.76 3.28 0.00 0.00 -0.83 -3.82 105.19 105.49 2c9d n GLY 47 Ca 0.09 0.00 -0.44 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 6.05 0.35 0.99 1.02 -0.48 -4.78 118.68 121.83 2c9d s LEU 48 Ca 0.00 -1.86 0.21 0.00 0.02 0.00 0.00 54.13 52.49 2c9d s LEU 48 Cb 0.00 -2.15 0.21 0.00 0.02 0.00 0.00 46.19 44.27 2c9d s LEU 48 CO 0.00 -0.80 1.46 0.44 0.02 0.00 0.00 176.35 177.47 2c9d h ASP 49 N 8.71 0.00 -2.15 2.29 3.32 -1.87 -3.09 116.42 123.63 2c9d h ASP 49 Ca -0.26 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.28 2c9d h ASP 49 Cb 1.09 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.30 2c9d h ASP 49 CO 0.97 0.14 -0.88 -0.62 -1.72 0.00 0.00 179.24 177.13 2c9d s ASP 50 N -6.13 1.06 0.62 6.45 3.68 -1.26 -4.94 116.67 116.15 2c9d s ASP 50 Ca 0.05 -2.72 -0.10 0.00 2.13 0.00 0.00 52.55 51.90 2c9d s ASP 50 Cb 0.06 -0.02 -0.03 0.00 -1.45 0.00 0.00 42.92 41.49 2c9d s ASP 50 CO 0.71 -0.17 1.00 -2.16 0.13 0.00 0.00 175.17 174.69 2c9d s PRO 51 N 0.33 3.42 -0.24 4.34 0.04 -1.26 -5.01 135.00 136.63 2c9d s PRO 51 Ca 0.31 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 2c9d s PRO 51 Cb 0.00 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 2c9d s PRO 51 CO -0.15 -0.61 1.29 0.99 0.04 0.00 0.00 177.00 178.55 2c9d s THR 52 N -3.15 4.20 -0.14 1.26 2.01 -0.98 -4.94 115.64 113.90 2c9d s THR 52 Ca 0.55 1.39 -0.00 0.00 0.31 0.00 0.00 61.69 63.94 2c9d s THR 52 Cb -0.11 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 2c9d s THR 52 CO 0.52 -0.32 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.30 2c9d s VAL 53 N 4.02 2.93 -0.04 3.82 1.01 -1.26 0.56 120.40 131.45 2c9d s VAL 53 Ca 0.56 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2c9d s VAL 53 Cb -0.19 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.96 2c9d s VAL 53 CO 0.19 0.51 -0.07 -0.69 0.00 0.00 0.00 175.10 175.05 2c9d s VAL 54 N 0.57 0.67 -0.04 2.92 1.01 0.03 -4.99 120.40 120.58 2c9d s VAL 54 Ca -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 2c9d s VAL 54 Cb -0.16 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2c9d s VAL 54 CO 0.03 0.23 0.04 -0.13 0.00 0.00 0.00 175.10 175.28 2c9d s ARG 55 N 0.53 2.99 0.32 2.72 1.81 -1.26 -1.88 118.95 124.18 2c9d s ARG 55 Ca -0.08 -0.47 0.05 0.00 -1.72 0.00 0.00 55.73 53.51 2c9d s ARG 55 Cb -0.11 -2.81 -0.06 0.00 -0.45 0.00 0.00 34.95 31.51 2c9d s ARG 55 CO 0.01 0.67 0.03 0.14 -0.68 0.00 0.00 175.30 175.46 2c9d s VAL 56 N -1.06 1.38 0.02 3.52 -7.23 -0.84 -4.96 120.40 111.23 2c9d s VAL 56 Ca 0.18 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.30 2c9d s VAL 56 Cb -0.12 -2.74 -0.28 0.00 0.56 0.00 0.00 36.38 33.81 2c9d s VAL 56 CO 0.09 -0.07 0.91 -0.07 -0.31 0.00 0.00 175.10 175.64 2c9d h LEU 57 N 2.12 0.39 -8.41 1.32 4.07 -1.95 -1.62 115.31 111.23 2c9d h LEU 57 Ca -0.41 -0.51 -0.18 0.00 0.08 0.00 0.00 57.88 56.86 2c9d h LEU 57 Cb 1.24 -0.13 -0.15 0.00 1.08 0.00 0.00 40.66 42.71 2c9d h LEU 57 CO 0.70 1.42 -0.61 -0.83 -1.08 0.00 0.00 178.44 178.05 2c9d s GLY 58 N -4.90 0.97 0.31 0.83 0.00 -1.26 -3.50 107.32 99.77 2c9d s GLY 58 Ca -0.08 -1.43 0.05 0.00 0.00 0.00 0.00 44.72 43.26 2c9d s GLY 58 CO 0.86 -1.31 1.77 0.00 0.00 0.00 0.00 173.10 174.41 2c9d h ALA 59 N 2.81 1.20 0.00 3.20 0.00 -1.94 -2.71 119.26 121.83 2c9d h ALA 59 Ca -0.35 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 2c9d h ALA 59 Cb 1.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2c9d h ALA 59 CO 0.57 0.52 -0.02 0.82 0.00 0.00 0.00 179.25 181.14 2c9d h ILE 60 N 0.36 0.79 -0.00 0.00 2.04 -1.97 -1.83 117.51 116.89 2c9d h ILE 60 Ca 0.06 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2c9d h ILE 60 Cb 0.61 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2c9d h ILE 60 CO 0.04 0.02 -0.03 -0.62 0.00 0.00 0.00 178.15 177.56 2c9d n GLU 61 N -4.19 0.31 0.11 2.37 4.71 -1.02 -4.22 120.64 118.70 2c9d n GLU 61 Ca -0.03 -0.03 -0.13 0.00 -0.01 0.00 0.00 57.16 56.96 2c9d n GLU 61 Cb 0.11 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 28.95 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 0.06 0.90 -0.62 -3.67 2.04 -1.41 -3.29 117.51 111.53 2c9d h ILE 62 Ca 0.00 -0.45 0.08 0.00 1.00 0.00 0.00 64.86 65.50 2c9d h ILE 62 Cb 0.37 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 2c9d h ILE 62 CO 0.00 0.10 0.28 -0.65 0.00 0.00 0.00 178.15 177.88 2c9d h PRO 63 N -0.47 0.49 0.00 2.37 0.11 -1.77 -1.63 132.00 131.10 2c9d h PRO 63 Ca -0.03 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 2c9d h PRO 63 Cb 0.36 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2c9d h PRO 63 CO 0.04 0.32 -0.18 -0.24 -0.21 0.00 0.00 178.00 177.74 2c9d h VAL 64 N 0.50 0.54 0.00 3.15 3.04 -1.84 -1.98 116.25 119.66 2c9d h VAL 64 Ca 0.30 -0.86 -0.25 0.00 -1.01 0.00 0.00 66.70 64.89 2c9d h VAL 64 Cb 0.32 1.58 -0.04 0.00 -2.01 0.00 0.00 31.29 31.13 2c9d h VAL 64 CO -0.26 0.17 -1.31 0.58 -1.01 0.00 0.00 177.57 175.74 2c9d h VAL 65 N 0.00 1.33 -0.33 1.51 2.07 -1.43 -3.28 116.25 116.12 2c9d h VAL 65 Ca -0.00 -3.10 -0.13 0.00 0.82 0.00 0.00 66.70 64.28 2c9d h VAL 65 Cb 0.56 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2c9d h VAL 65 CO 0.02 0.77 -0.33 0.00 0.02 0.00 0.00 177.57 178.05 2c9d h ALA 66 N 0.98 0.80 -0.44 1.67 0.00 -0.93 -2.12 119.26 119.22 2c9d h ALA 66 Ca -0.13 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.42 2c9d h ALA 66 Cb 1.88 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 2c9d h ALA 66 CO 0.11 0.65 0.13 0.37 0.00 0.00 0.00 179.25 180.51 2c9d h GLN 67 N 0.62 0.28 -0.41 0.00 4.15 -1.47 0.11 115.11 118.39 2c9d h GLN 67 Ca 0.07 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 2c9d h GLN 67 Cb 0.86 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 2c9d h GLN 67 CO 0.07 0.19 -0.10 1.49 -1.93 0.00 0.00 178.83 178.55 2c9d h GLU 68 N 0.29 0.80 0.00 1.69 4.57 -1.60 -3.01 114.58 117.32 2c9d h GLU 68 Ca 0.21 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 58.03 2c9d h GLU 68 Cb 0.22 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2c9d h GLU 68 CO -0.23 0.92 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.22 2c9d h LEU 69 N 0.62 0.00 -1.25 1.64 3.38 -1.11 -2.89 115.31 115.70 2c9d h LEU 69 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2c9d h LEU 69 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2c9d h LEU 69 CO 0.04 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.81 2c9d h ALA 70 N 1.76 1.00 0.00 1.53 0.00 -0.83 -2.99 119.26 119.73 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 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 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 -2.68 0.19 -1.80 0.00 1.74 -1.09 -3.97 116.66 109.05 2c9d n ARG 71 Ca 0.01 0.05 -0.02 0.00 -0.77 0.00 0.00 57.85 57.12 2c9d n ARG 71 Cb 0.24 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.39 -0.11 -4.08 0.55 2.04 -1.14 -5.12 115.26 106.01 2c9d n ASN 72 Ca 0.09 -2.05 -0.08 0.00 -0.44 0.00 0.00 54.58 52.10 2c9d n ASN 72 Cb 0.26 0.08 -0.10 0.00 -2.53 0.00 0.00 39.78 37.49 2c9d n ASN 72 CO 0.00 0.00 0.00 -1.00 -0.44 0.00 0.00 177.26 175.82 2c9d s HIS 73 N -0.62 0.52 -0.57 -2.53 3.76 -1.18 -5.01 115.29 109.67 2c9d s HIS 73 Ca 0.16 -0.93 0.23 0.00 -0.15 0.00 0.00 55.06 54.37 2c9d s HIS 73 Cb 0.26 -0.37 0.17 0.00 1.11 0.00 0.00 32.58 33.75 2c9d s HIS 73 CO -0.08 -0.31 1.15 -0.25 -0.85 0.00 0.00 174.74 174.40 2c9d n ASP 74 N 0.41 0.66 -3.65 1.40 8.00 0.16 -4.85 116.55 118.68 2c9d n ASP 74 Ca -0.16 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.20 2c9d n ASP 74 Cb 0.60 0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 42.11 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 -3.21 -1.63 -0.06 2.24 0.00 -1.14 -4.38 121.76 113.58 2c9d s ALA 75 Ca 0.04 1.86 0.03 0.00 0.00 0.00 0.00 51.96 53.90 2c9d s ALA 75 Cb 0.13 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.17 2c9d s ALA 75 CO 0.77 -0.31 -0.16 0.08 0.00 0.00 0.00 175.76 176.13 2c9d s VAL 76 N 0.37 1.40 -0.17 0.00 1.01 -0.82 -1.62 120.40 120.57 2c9d s VAL 76 Ca -0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2c9d s VAL 76 Cb -0.05 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2c9d s VAL 76 CO 0.01 0.41 -0.09 -0.69 0.00 0.00 0.00 175.10 174.74 2c9d s VAL 77 N 0.31 3.23 -0.17 2.92 1.01 -0.26 -0.63 120.40 126.81 2c9d s VAL 77 Ca -0.10 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 2c9d s VAL 77 Cb -0.14 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2c9d s VAL 77 CO 0.04 0.49 0.03 0.00 0.00 0.00 0.00 175.10 175.65 2c9d s ALA 78 N 0.79 3.26 -0.01 5.51 0.00 -0.85 -1.23 121.76 129.23 2c9d s ALA 78 Ca -0.03 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.19 2c9d s ALA 78 Cb -0.15 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.16 2c9d s ALA 78 CO 0.01 0.18 -0.15 -0.51 0.00 0.00 0.00 175.76 175.29 2c9d s LEU 79 N 0.39 2.04 0.00 0.00 1.43 -0.38 -0.82 118.68 121.34 2c9d s LEU 79 Ca 0.01 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2c9d s LEU 79 Cb -0.13 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.31 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 2.65 0.40 2.89 -3.19 0.00 -1.16 -1.78 105.19 105.00 2c9d n GLY 80 Ca -0.15 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 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 0.59 -0.18 1.61 1.01 -1.26 -0.01 120.40 120.16 2c9d s VAL 81 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.86 2c9d s VAL 81 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.78 2c9d s VAL 81 CO 0.00 0.25 -0.17 -0.69 0.00 0.00 0.00 175.10 174.49 2c9d s VAL 82 N 1.09 1.93 -0.12 2.92 1.01 -0.26 -4.91 120.40 122.06 2c9d s VAL 82 Ca -0.08 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 2c9d s VAL 82 Cb -0.14 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2c9d s VAL 82 CO -0.01 0.46 -0.08 -0.63 0.00 0.00 0.00 175.10 174.84 2c9d s ILE 83 N 1.33 3.55 0.46 2.22 1.01 -1.26 -2.41 121.20 126.10 2c9d s ILE 83 Ca 0.04 -0.50 -0.24 0.00 0.00 0.00 0.00 60.65 59.95 2c9d s ILE 83 Cb -0.14 -2.50 -0.07 0.00 0.01 0.00 0.00 42.46 39.76 2c9d s ILE 83 CO -0.12 0.54 1.29 -0.60 0.00 0.00 0.00 174.94 176.05 2c9d s ARG 84 N -0.04 3.69 0.00 2.79 3.52 -1.13 -4.96 118.95 122.83 2c9d s ARG 84 Ca -0.01 2.09 0.00 0.00 -0.13 0.00 0.00 55.73 57.68 2c9d s ARG 84 Cb -0.14 -2.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 2c9d s ARG 84 CO 0.03 -0.70 0.00 0.41 -0.81 0.00 0.00 175.30 174.23 2c9d n GLY 85 N 0.62 4.10 0.30 8.12 0.00 -1.26 -4.93 105.19 112.13 2c9d n GLY 85 Ca 0.06 -1.68 0.09 0.00 0.00 0.00 0.00 46.02 44.49 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 1.52 -4.36 1.61 3.00 -1.26 -4.99 117.38 112.89 2c9d n GLN 86 Ca 0.00 -0.64 -0.25 0.00 -0.01 0.00 0.00 57.00 56.10 2c9d n GLN 86 Cb 0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 30.24 28.83 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 -2.20 2.53 -2.00 5.09 -4.23 -1.26 -5.01 115.64 108.56 2c9d s THR 87 Ca 0.13 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 2c9d s THR 87 Cb 0.14 -2.80 0.15 0.00 1.34 0.00 0.00 72.50 71.32 2c9d s THR 87 CO 0.51 -0.18 0.76 -2.65 -0.54 0.00 0.00 174.62 172.53 2c9d n PRO 88 N -0.95 0.48 -0.29 3.99 -0.02 -1.26 -3.72 135.00 133.22 2c9d n PRO 88 Ca -0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.43 2c9d n PRO 88 Cb 0.63 -1.17 0.11 0.00 -0.02 0.00 0.00 33.50 33.05 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 0.95 -0.82 6.00 2.76 -1.98 -2.45 115.15 119.61 2c9d h HIS 89 Ca 0.00 0.03 0.20 0.00 -2.20 0.00 0.00 60.37 58.39 2c9d h HIS 89 Cb 0.00 -0.31 -0.13 0.00 1.55 0.00 0.00 27.41 28.52 2c9d h HIS 89 CO 0.00 0.52 0.22 0.35 -1.30 0.00 0.00 177.93 177.72 2c9d h PHE 90 N 0.97 0.34 -0.44 5.26 3.57 -1.93 -0.41 116.94 124.29 2c9d h PHE 90 Ca 0.34 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.90 2c9d h PHE 90 Cb 0.08 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2c9d h PHE 90 CO -0.03 -0.14 0.29 -0.44 -2.23 0.00 0.00 178.31 175.76 2c9d h ASP 91 N 0.26 0.46 0.77 0.41 5.19 -1.74 -3.06 116.42 118.71 2c9d h ASP 91 Ca 0.49 -0.01 -0.22 0.00 -0.62 0.00 0.00 57.03 56.67 2c9d h ASP 91 Cb 0.92 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 40.28 2c9d h ASP 91 CO -0.58 0.33 -1.34 1.88 -3.12 0.00 0.00 179.24 176.40 2c9d h TYR 92 N 0.55 0.00 -0.19 4.55 0.05 -1.14 -2.89 116.97 117.90 2c9d h TYR 92 Ca 0.17 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.91 2c9d h TYR 92 Cb 0.01 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2c9d h TYR 92 CO -0.00 0.85 -0.03 0.28 -1.05 0.00 0.00 178.16 178.21 2c9d h VAL 93 N 0.00 1.28 -0.13 -2.88 2.07 -1.41 -2.92 116.25 112.27 2c9d h VAL 93 Ca -0.16 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 2c9d h VAL 93 Cb 1.79 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 2c9d h VAL 93 CO 0.08 0.29 -0.26 0.00 0.02 0.00 0.00 177.57 177.71 2c9d h ASP 95 N 0.20 0.42 -0.27 0.00 3.32 -1.48 -1.96 116.42 116.65 2c9d h ASP 95 Ca 0.03 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2c9d h ASP 95 Cb 0.57 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2c9d h ASP 95 CO 0.04 0.34 0.17 0.00 -1.72 0.00 0.00 179.24 178.07 2c9d h ALA 96 N 1.10 0.35 -0.37 3.45 0.00 -1.39 -2.21 119.26 120.18 2c9d h ALA 96 Ca 0.13 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2c9d h ALA 96 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2c9d h ALA 96 CO -0.03 -0.16 0.18 0.28 0.00 0.00 0.00 179.25 179.53 2c9d h VAL 97 N 0.35 0.98 0.11 0.00 2.07 -1.40 0.42 116.25 118.77 2c9d h VAL 97 Ca 0.10 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2c9d h VAL 97 Cb -0.00 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2c9d h VAL 97 CO -0.02 0.07 -0.17 0.74 0.02 0.00 0.00 177.57 178.21 2c9d h THR 98 N 0.38 0.61 -0.29 2.57 2.02 -1.27 -2.04 112.91 114.89 2c9d h THR 98 Ca 0.16 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.36 2c9d h THR 98 Cb 0.07 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2c9d h THR 98 CO -0.11 0.00 0.15 1.56 0.37 0.00 0.00 175.52 177.49 2c9d h GLN 99 N -0.33 0.31 0.44 6.66 4.20 -1.19 -2.84 115.11 122.35 2c9d h GLN 99 Ca 0.02 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2c9d h GLN 99 Cb 0.35 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2c9d h GLN 99 CO -0.09 0.20 -0.21 0.78 -0.67 0.00 0.00 178.83 178.85 2c9d h GLY 100 N 0.32 -0.61 0.98 3.46 0.00 -0.84 -2.39 103.07 103.99 2c9d h GLY 100 Ca 0.12 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 2c9d h GLY 100 CO -0.07 -0.22 0.28 1.41 0.00 0.00 0.00 176.54 177.94 2c9d h LEU 101 N -0.72 0.62 -0.66 3.11 3.38 -1.44 -1.16 115.31 118.45 2c9d h LEU 101 Ca -0.06 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2c9d h LEU 101 Cb 0.52 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2c9d h LEU 101 CO 0.10 0.53 0.43 0.74 0.09 0.00 0.00 178.44 180.32 2c9d h THR 102 N 0.67 1.14 -0.71 0.22 2.02 -1.55 -1.67 112.91 113.03 2c9d h THR 102 Ca 0.18 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 2c9d h THR 102 Cb 0.04 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 2c9d h THR 102 CO -0.03 0.16 0.20 -0.09 0.37 0.00 0.00 175.52 176.13 2c9d h ARG 103 N 0.86 1.10 -0.25 6.66 2.43 -1.07 -3.01 114.38 121.10 2c9d h ARG 103 Ca 0.25 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2c9d h ARG 103 Cb -0.06 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2c9d h ARG 103 CO -0.07 0.95 -0.01 0.28 -1.51 0.00 0.00 179.97 179.61 2c9d h VAL 104 N 1.06 1.26 -0.94 0.20 2.07 -0.84 -1.97 116.25 117.09 2c9d h VAL 104 Ca 0.23 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.84 2c9d h VAL 104 Cb 0.32 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 2c9d h VAL 104 CO -0.00 0.30 0.61 0.77 0.02 0.00 0.00 177.57 179.26 2c9d h SER 105 N 0.22 1.01 0.80 0.57 4.64 -1.28 -2.17 113.55 117.35 2c9d h SER 105 Ca 0.07 -0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.16 2c9d h SER 105 Cb 0.44 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2c9d h SER 105 CO 0.02 0.68 -1.05 -0.07 -0.87 0.00 0.00 176.83 175.53 2c9d h LEU 106 N 1.17 0.18 -0.59 5.97 3.38 -1.50 -0.33 115.31 123.58 2c9d h LEU 106 Ca 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2c9d h LEU 106 Cb 0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2c9d h LEU 106 CO -0.13 1.11 0.28 0.44 0.09 0.00 0.00 178.44 180.23 2c9d h ASP 107 N 0.04 0.78 -0.02 -0.43 3.45 -1.14 -3.28 116.42 115.82 2c9d h ASP 107 Ca -0.06 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.27 2c9d h ASP 107 Cb 1.78 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 40.35 2c9d h ASP 107 CO 0.15 0.70 -0.31 -1.54 -1.57 0.00 0.00 179.24 176.67 2c9d n SER 108 N -4.52 2.05 -3.87 6.45 3.41 -0.83 -4.98 113.62 111.32 2c9d n SER 108 Ca 0.04 -1.53 -0.26 0.00 -0.26 0.00 0.00 58.87 56.86 2c9d n SER 108 Cb 0.13 0.36 0.01 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.22 -1.89 -4.02 4.04 7.64 -0.20 -5.00 113.62 114.41 2c9d n SER 109 Ca 0.09 -0.89 -0.21 0.00 1.01 0.00 0.00 58.87 58.87 2c9d n SER 109 Cb 0.43 -3.59 -0.15 0.00 -1.01 0.00 0.00 64.21 59.89 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 -3.64 0.88 -0.07 0.44 2.01 -0.79 -5.05 115.64 109.42 2c9d s THR 110 Ca 0.22 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 2c9d s THR 110 Cb -0.11 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 2c9d s THR 110 CO 0.85 0.27 1.67 -2.84 -0.69 0.00 0.00 174.62 173.88 2c9d s PRO 111 N 0.13 4.12 -0.66 4.92 0.02 -1.26 -4.42 135.00 137.85 2c9d s PRO 111 Ca -0.02 2.15 -0.06 0.00 0.02 0.00 0.00 61.00 63.09 2c9d s PRO 111 Cb -0.08 -4.01 0.17 0.00 0.02 0.00 0.00 34.50 30.60 2c9d s PRO 111 CO 0.01 -0.92 0.51 0.42 -0.33 0.00 0.00 177.00 176.69 2c9d s ILE 112 N 4.25 4.18 0.32 2.83 -1.09 -1.26 -1.95 121.20 128.48 2c9d s ILE 112 Ca 0.74 -2.77 -0.29 0.00 -2.23 0.00 0.00 60.65 56.10 2c9d s ILE 112 Cb -0.33 -3.69 -0.11 0.00 -1.58 0.00 0.00 42.46 36.75 2c9d s ILE 112 CO 0.30 -0.90 1.56 0.00 -1.23 0.00 0.00 174.94 174.67 2c9d s ALA 113 N 0.08 3.69 -0.47 9.38 0.00 0.20 -4.90 121.76 129.74 2c9d s ALA 113 Ca 0.16 1.58 -0.15 0.00 0.00 0.00 0.00 51.96 53.55 2c9d s ALA 113 Cb -0.18 -3.64 0.07 0.00 0.00 0.00 0.00 23.12 19.37 2c9d s ALA 113 CO -0.05 -1.02 0.38 1.21 0.00 0.00 0.00 175.76 176.29 2c9d s ASN 114 N 0.29 6.11 -0.30 0.00 2.47 -1.26 -2.00 114.94 120.23 2c9d s ASN 114 Ca 0.60 -1.34 0.08 0.00 0.42 0.00 0.00 52.86 52.62 2c9d s ASN 114 Cb -0.47 -2.17 0.46 0.00 -1.45 0.00 0.00 41.25 37.62 2c9d s ASN 114 CO 0.53 -0.64 1.17 0.61 -3.72 0.00 0.00 177.10 175.05 2c9d n GLY 115 N 5.18 5.90 3.46 1.21 0.00 0.00 -4.87 105.19 116.07 2c9d n GLY 115 Ca -0.12 -2.52 -0.42 0.00 0.00 0.00 0.00 46.02 42.95 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 -4.62 5.13 0.41 1.61 1.01 -1.24 -2.97 120.40 119.72 2c9d s VAL 116 Ca 0.48 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 2c9d s VAL 116 Cb 0.40 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 2c9d s VAL 116 CO 0.01 -0.22 1.23 -0.76 0.00 0.00 0.00 175.10 175.35 2c9d s LEU 117 N 1.67 4.18 -0.31 3.92 1.43 0.98 -4.93 118.68 125.62 2c9d s LEU 117 Ca 0.05 2.49 -0.02 0.00 -1.03 0.00 0.00 54.13 55.61 2c9d s LEU 117 Cb -0.19 -3.99 0.11 0.00 0.03 0.00 0.00 46.19 42.16 2c9d s LEU 117 CO 0.09 -0.79 0.15 -0.89 0.23 0.00 0.00 176.35 175.15 2c9d s THR 118 N -1.35 0.15 0.35 5.49 2.01 -1.26 -1.11 115.64 119.93 2c9d s THR 118 Ca 0.58 -1.14 0.09 0.00 0.31 0.00 0.00 61.69 61.53 2c9d s THR 118 Cb -0.34 -1.13 -0.07 0.00 0.01 0.00 0.00 72.50 70.97 2c9d s THR 118 CO 0.43 -0.79 -0.08 0.42 -0.69 0.00 0.00 174.62 173.91 2c9d s THR 119 N 1.72 2.16 -0.03 -0.82 -4.23 -1.01 -5.04 115.64 108.40 2c9d s THR 119 Ca 0.12 -2.17 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 2c9d s THR 119 Cb -0.18 -2.69 -0.27 0.00 1.34 0.00 0.00 72.50 70.70 2c9d s THR 119 CO -0.25 -0.18 0.73 0.78 -0.54 0.00 0.00 174.62 175.17 2c9d h ASN 120 N 2.00 0.35 -3.91 3.99 2.35 -1.95 -2.98 115.58 115.44 2c9d h ASN 120 Ca -0.42 -0.55 -0.39 0.00 -0.55 0.00 0.00 56.30 54.38 2c9d h ASN 120 Cb 1.25 -0.11 -0.14 0.00 0.05 0.00 0.00 38.32 39.36 2c9d h ASN 120 CO 0.72 1.47 -0.64 0.42 -1.65 0.00 0.00 177.43 177.75 2c9d s THR 121 N -2.60 0.94 0.23 2.81 -4.23 -1.26 -4.47 115.64 107.06 2c9d s THR 121 Ca -0.11 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.41 2c9d s THR 121 Cb 0.07 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 2c9d s THR 121 CO 0.83 -0.18 1.56 -0.08 -0.54 0.00 0.00 174.62 176.22 2c9d h GLU 122 N 2.38 0.31 -0.33 3.99 4.81 -1.97 -3.16 114.58 120.61 2c9d h GLU 122 Ca -0.39 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 58.67 2c9d h GLU 122 Cb 1.23 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 2c9d h GLU 122 CO 0.65 0.80 0.13 1.49 -0.73 0.00 0.00 179.01 181.35 2c9d h GLU 123 N 0.24 0.28 -0.67 1.92 4.22 -1.99 -2.03 114.58 116.55 2c9d h GLU 123 Ca -0.00 -0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.53 2c9d h GLU 123 Cb 1.07 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.18 2c9d h GLU 123 CO 0.09 0.18 0.28 1.96 -2.18 0.00 0.00 179.01 179.34 2c9d h GLN 124 N 0.28 0.45 -0.22 1.92 4.20 -1.97 -1.58 115.11 118.19 2c9d h GLN 124 Ca 0.15 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2c9d h GLN 124 Cb 0.10 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2c9d h GLN 124 CO -0.13 0.30 0.06 0.00 -0.67 0.00 0.00 178.83 178.39 2c9d h ALA 125 N 1.45 0.29 -0.57 3.87 0.00 -1.48 -2.99 119.26 119.83 2c9d h ALA 125 Ca 0.34 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2c9d h ALA 125 Cb 0.43 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2c9d h ALA 125 CO -0.32 -0.07 0.38 -0.07 0.00 0.00 0.00 179.25 179.17 2c9d h LEU 126 N 0.19 0.56 -0.09 0.00 3.38 -0.98 -2.29 115.31 116.08 2c9d h LEU 126 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2c9d h LEU 126 Cb 0.25 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2c9d h LEU 126 CO -0.00 0.38 0.00 -0.67 0.09 0.00 0.00 178.44 178.24 2c9d n ASP 127 N -4.47 0.20 -0.16 -0.43 2.03 -0.63 -3.30 116.55 109.80 2c9d n ASP 127 Ca 0.07 0.53 0.06 0.00 0.52 0.00 0.00 54.79 55.97 2c9d n ASP 127 Cb 0.14 -0.58 0.10 0.00 -0.72 0.00 0.00 41.12 40.07 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 -1.70 2.14 -0.03 -0.67 1.74 -0.87 -1.70 116.66 115.57 2c9d n ARG 128 Ca 0.05 -2.19 0.05 0.00 -0.77 0.00 0.00 57.85 54.99 2c9d n ARG 128 Cb 0.29 -1.34 -0.14 0.00 -1.02 0.00 0.00 32.46 30.24 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 -0.89 2.44 -0.17 7.54 0.00 -1.18 -2.25 120.51 125.99 2c9d n ALA 129 Ca 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2c9d n ALA 129 Cb 0.51 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 1.55 1.67 3.86 0.00 0.00 -0.96 -3.96 105.19 107.35 2c9d n GLY 130 Ca -0.09 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.02 2.85 0.21 0.99 1.43 -1.26 -4.91 118.68 117.97 2c9d s LEU 131 Ca 0.00 1.20 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 2c9d s LEU 131 Cb 0.00 -3.97 0.53 0.00 0.03 0.00 0.00 46.19 42.78 2c9d s LEU 131 CO 0.00 -1.47 1.05 -2.65 0.23 0.00 0.00 176.35 173.51 2c9d n PRO 132 N -3.10 -0.05 -0.67 1.29 -0.02 -1.26 -0.78 135.00 130.40 2c9d n PRO 132 Ca 0.07 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 2c9d n PRO 132 Cb 0.57 -1.60 0.20 0.00 -0.02 0.00 0.00 33.50 32.65 2c9d n PRO 132 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2c9d n THR 133 N -4.88 2.41 -2.78 3.45 -1.04 -1.26 -5.04 114.28 105.14 2c9d n THR 133 Ca 0.16 -2.68 -0.32 0.00 -2.04 0.00 0.00 64.05 59.17 2c9d n THR 133 Cb 0.53 -0.29 -0.05 0.00 -1.82 0.00 0.00 70.33 68.70 2c9d n THR 133 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2c9d s SER 134 N -2.60 6.70 0.19 8.00 0.01 0.04 -4.99 113.70 121.04 2c9d s SER 134 Ca 0.42 1.41 0.09 0.00 1.31 0.00 0.00 55.95 59.18 2c9d s SER 134 Cb 0.38 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 64.20 2c9d s SER 134 CO 0.00 -0.40 1.41 0.00 0.41 0.00 0.00 173.24 174.66 2c9d h ALA 135 N 1.53 0.60 -2.97 1.44 0.00 -1.66 -3.47 119.26 114.72 2c9d h ALA 135 Ca -0.48 -0.76 -0.11 0.00 0.00 0.00 0.00 54.91 53.57 2c9d h ALA 135 Cb 1.18 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2c9d h ALA 135 CO 0.63 1.04 0.08 -1.83 0.00 0.00 0.00 179.25 179.17 2c9d s GLU 136 N -3.05 2.07 -0.32 0.00 -1.05 -1.13 -5.07 118.70 110.15 2c9d s GLU 136 Ca 0.00 -1.53 -0.02 0.00 -0.15 0.00 0.00 54.97 53.28 2c9d s GLU 136 Cb 0.11 0.55 0.11 0.00 -0.44 0.00 0.00 34.13 34.46 2c9d s GLU 136 CO 0.79 -0.92 0.15 0.34 0.95 0.00 0.00 175.26 176.57 2c9d s ASP 137 N -3.12 3.48 0.39 0.83 -1.08 -1.26 -2.26 116.67 113.65 2c9d s ASP 137 Ca 0.21 -1.69 0.08 0.00 -0.52 0.00 0.00 52.55 50.63 2c9d s ASP 137 Cb -0.03 -0.50 0.81 0.00 -1.46 0.00 0.00 42.92 41.73 2c9d s ASP 137 CO 0.14 -0.39 1.96 0.11 0.52 0.00 0.00 175.17 177.52 2c9d h LYS 138 N 7.85 0.35 -0.54 4.34 1.79 -1.70 -2.71 116.57 125.96 2c9d h LYS 138 Ca -0.10 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.27 2c9d h LYS 138 Cb 0.99 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.56 2c9d h LYS 138 CO 0.40 0.37 0.19 0.78 -1.08 0.00 0.00 179.45 180.11 2c9d h GLY 139 N 0.64 0.85 0.52 3.86 0.00 -1.84 -1.47 103.07 105.63 2c9d h GLY 139 Ca 0.08 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2c9d h GLY 139 CO 0.00 0.41 -0.21 0.00 0.00 0.00 0.00 176.54 176.75 2c9d h ALA 140 N 1.44 0.07 -0.51 3.60 0.00 -1.70 -3.06 119.26 119.10 2c9d h ALA 140 Ca 0.18 -0.41 0.07 0.00 0.00 0.00 0.00 54.91 54.75 2c9d h ALA 140 Cb 0.19 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2c9d h ALA 140 CO -0.01 0.05 0.19 1.96 0.00 0.00 0.00 179.25 181.44 2c9d h GLN 141 N -0.39 0.36 -0.64 0.00 4.20 -1.40 -2.04 115.11 115.19 2c9d h GLN 141 Ca -0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2c9d h GLN 141 Cb 0.89 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 2c9d h GLN 141 CO 0.04 0.23 0.38 0.00 -0.67 0.00 0.00 178.83 178.82 2c9d h ALA 142 N 1.34 0.82 -0.48 3.87 0.00 -1.36 -1.51 119.26 121.94 2c9d h ALA 142 Ca 0.24 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2c9d h ALA 142 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2c9d h ALA 142 CO -0.24 0.30 -0.16 1.15 0.00 0.00 0.00 179.25 180.30 2c9d h THR 143 N 0.87 1.27 -0.41 0.00 2.02 -1.38 -1.29 112.91 113.99 2c9d h THR 143 Ca 0.23 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 2c9d h THR 143 Cb -0.01 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2c9d h THR 143 CO -0.04 0.45 0.21 0.58 0.37 0.00 0.00 175.52 177.09 2c9d h VAL 144 N 0.80 1.14 -0.28 3.16 2.07 -1.23 -1.57 116.25 120.33 2c9d h VAL 144 Ca 0.11 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2c9d h VAL 144 Cb 0.73 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2c9d h VAL 144 CO 0.06 0.16 -0.14 0.00 0.02 0.00 0.00 177.57 177.67 2c9d h ALA 145 N 1.66 0.40 0.27 1.67 0.00 -0.81 -2.78 119.26 119.68 2c9d h ALA 145 Ca 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2c9d h ALA 145 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2c9d h ALA 145 CO -0.02 0.28 -0.13 0.00 0.00 0.00 0.00 179.25 179.38 2c9d h ALA 146 N 0.75 -0.37 -0.75 0.00 0.00 -0.94 -2.63 119.26 115.32 2c9d h ALA 146 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2c9d h ALA 146 Cb 0.65 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2c9d h ALA 146 CO 0.04 -0.62 0.39 -0.07 0.00 0.00 0.00 179.25 178.99 2c9d h LEU 147 N -0.54 0.95 -0.38 0.00 3.38 -1.38 -1.75 115.31 115.59 2c9d h LEU 147 Ca -0.04 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 2c9d h LEU 147 Cb 0.40 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2c9d h LEU 147 CO 0.06 0.78 -0.32 0.00 0.09 0.00 0.00 178.44 179.05 2c9d h ALA 148 N 1.37 0.54 -0.25 1.53 0.00 -1.53 -2.50 119.26 118.43 2c9d h ALA 148 Ca 0.26 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2c9d h ALA 148 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2c9d h ALA 148 CO -0.04 0.60 -0.28 1.15 0.00 0.00 0.00 179.25 180.68 2c9d h THR 149 N 0.69 1.27 -0.60 0.00 2.02 -1.22 -1.91 112.91 113.16 2c9d h THR 149 Ca 0.07 -1.34 -0.06 0.00 0.77 0.00 0.00 66.41 65.86 2c9d h THR 149 Cb 0.91 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 2c9d h THR 149 CO 0.08 0.42 0.16 0.00 0.37 0.00 0.00 175.52 176.56 2c9d h ALA 150 N 1.27 0.79 -0.65 6.16 0.00 -1.28 -1.82 119.26 123.73 2c9d h ALA 150 Ca 0.06 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2c9d h ALA 150 Cb 0.72 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2c9d h ALA 150 CO 0.06 0.49 0.14 -0.07 0.00 0.00 0.00 179.25 179.86 2c9d h LEU 151 N 0.87 1.00 -0.06 0.00 3.38 -1.19 -1.66 115.31 117.65 2c9d h LEU 151 Ca 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2c9d h LEU 151 Cb 0.33 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2c9d h LEU 151 CO -0.00 0.99 0.03 0.74 0.09 0.00 0.00 178.44 180.29 2c9d h THR 152 N 0.98 1.11 -0.64 0.22 2.02 -1.26 -2.28 112.91 113.06 2c9d h THR 152 Ca 0.20 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2c9d h THR 152 Cb 0.39 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 2c9d h THR 152 CO 0.01 0.09 0.42 -0.07 0.37 0.00 0.00 175.52 176.34 2c9d h LEU 153 N -0.03 0.74 -0.86 2.58 3.38 -1.27 -0.54 115.31 119.31 2c9d h LEU 153 Ca 0.02 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2c9d h LEU 153 Cb 0.13 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2c9d h LEU 153 CO -0.00 0.54 0.55 -0.09 0.09 0.00 0.00 178.44 179.53 2c9d h ARG 154 N 0.87 1.05 0.02 1.13 9.65 -1.10 -1.53 114.38 124.47 2c9d h ARG 154 Ca 0.23 -0.06 -0.23 0.00 -1.10 0.00 0.00 59.98 58.82 2c9d h ARG 154 Cb -0.09 -0.24 0.02 0.00 -1.39 0.00 0.00 29.97 28.27 2c9d h ARG 154 CO -0.05 0.69 -0.93 1.49 2.80 0.00 0.00 179.97 183.98 2c9d h GLU 155 N 1.08 0.60 -0.47 0.20 4.57 -0.72 -3.29 114.58 116.54 2c9d h GLU 155 Ca 0.34 -0.67 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 2c9d h GLU 155 Cb 0.01 0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2c9d h GLU 155 CO -0.12 1.27 0.18 -0.07 -1.18 0.00 0.00 179.01 179.09 2c9d h LEU 156 N 0.21 0.65-10.39 1.64 3.38 -1.08 -3.46 115.31 106.26 2c9d h LEU 156 Ca -0.12 -0.17 -0.42 0.00 0.09 0.00 0.00 57.88 57.26 2c9d h LEU 156 Cb 1.60 -0.17 0.19 0.00 0.09 0.00 0.00 40.66 42.37 2c9d h LEU 156 CO 0.18 0.65 0.14 -0.13 0.09 0.00 0.00 178.44 179.37 2c9d s ARG 157 N -5.53 -0.97 -0.18 1.13 0.52 -0.58 -4.90 118.95 108.43 2c9d s ARG 157 Ca -0.13 0.03 -0.29 0.00 -0.52 0.00 0.00 55.73 54.82 2c9d s ARG 157 Cb 0.11 -1.62 -0.05 0.00 0.52 0.00 0.00 34.95 33.92 2c9d s ARG 157 CO 0.77 -3.56 1.94 0.00 0.02 0.00 0.00 175.30 174.46 2c9d s ALA 158 N -3.00 3.08 0.22 2.13 0.00 -1.26 -4.97 121.76 117.96 2c9d s ALA 158 Ca 0.70 0.74 -0.10 0.00 0.00 0.00 0.00 51.96 53.30 2c9d s ALA 158 Cb -0.11 -3.95 -0.01 0.00 0.00 0.00 0.00 23.12 19.04 2c9d s ALA 158 CO 0.56 -2.27 0.37 -3.38 0.00 0.00 0.00 175.76 171.04 2c9d s HIS 159 N 6.40 0.50 -2.97 0.00 -3.43 -1.26 -5.11 115.29 109.42 2c9d s HIS 159 Ca 0.87 -0.84 0.24 0.00 -0.80 0.00 0.00 55.06 54.53 2c9d s HIS 159 Cb -0.31 -0.00 0.24 0.00 -1.43 0.00 0.00 32.58 31.07 2c9d s HIS 159 CO 0.35 -0.86 1.29 0.45 -2.00 0.00 0.00 174.74 173.96