#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dca n GLY 6 N 0.00 3.14 0.03 -1.67 0.00 -0.37 -5.03 105.19 101.29 1dca n GLY 6 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.55 1dca n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dca n TYR 7 N 0.00 0.00 -1.69 1.61 4.01 -1.26 -4.00 117.16 115.83 1dca n TYR 7 Ca 0.00 -0.38 -0.30 0.00 -0.16 0.00 0.00 57.90 57.06 1dca n TYR 7 Cb 0.00 -0.04 0.19 0.00 -0.31 0.00 0.00 39.34 39.18 1dca n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1dca s GLY 8 N -0.88 1.71 0.45 2.72 0.00 -1.26 -4.66 107.32 105.39 1dca s GLY 8 Ca 0.03 -1.07 0.17 0.00 0.00 0.00 0.00 44.72 43.85 1dca s GLY 8 CO 0.00 -0.30 1.97 1.70 0.00 0.00 0.00 173.10 176.47 1dca h LYS 9 N -1.84 0.00 0.00 2.90 1.63 -1.97 0.35 116.57 117.63 1dca h LYS 9 Ca -0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 1dca h LYS 9 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1dca h LYS 9 CO 0.40 0.21 -1.56 0.72 -3.45 0.00 0.00 179.45 175.77 1dca n HIS 10 N -4.08 0.00 -0.34 1.91 8.25 -1.26 -4.59 115.22 115.11 1dca n HIS 10 Ca -0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1dca n HIS 10 Cb 0.28 -0.30 0.01 0.00 1.12 0.00 0.00 29.99 31.10 1dca n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1dca n ASN 11 N -1.94 1.59 -3.75 0.41 0.23 -1.19 -4.96 115.26 105.66 1dca n ASN 11 Ca -0.02 -1.89 -0.30 0.00 -0.53 0.00 0.00 54.58 51.83 1dca n ASN 11 Cb 0.37 -0.04 0.26 0.00 -2.08 0.00 0.00 39.78 38.28 1dca n ASN 11 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1dca s GLY 12 N -0.96 1.52 0.46 4.83 0.00 0.12 -1.24 107.32 112.05 1dca s GLY 12 Ca 0.03 -0.85 0.22 0.00 0.00 0.00 0.00 44.72 44.12 1dca s GLY 12 CO 0.00 0.07 1.88 -2.55 0.00 0.00 0.00 173.10 172.50 1dca h PRO 13 N -2.85 0.26 0.00 2.90 0.11 -1.83 0.13 132.00 130.72 1dca h PRO 13 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1dca h PRO 13 Cb 1.31 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1dca h PRO 13 CO 0.34 0.17 0.00 1.05 -0.21 0.00 0.00 178.00 179.35 1dca h GLU 14 N 0.27 0.00 0.00 1.05 9.09 -1.93 -2.99 114.58 120.07 1dca h GLU 14 Ca 0.44 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.82 1dca h GLU 14 Cb 1.28 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1dca h GLU 14 CO -0.12 0.00 -1.86 0.72 0.05 0.00 0.00 179.01 177.81 1dca n HIS 15 N -2.37 0.00 -0.17 2.06 8.25 0.46 -4.65 115.22 118.80 1dca n HIS 15 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.65 1dca n HIS 15 Cb 0.13 -0.45 0.56 0.00 1.12 0.00 0.00 29.99 31.35 1dca n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1dca h TRP 16 N 0.00 0.38 -0.29 4.41 6.55 -1.42 -2.54 115.95 123.05 1dca h TRP 16 Ca -0.04 0.01 0.09 0.00 0.95 0.00 0.00 58.89 59.90 1dca h TRP 16 Cb 0.93 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 29.09 1dca h TRP 16 CO 0.00 0.13 0.32 1.12 -1.05 0.00 0.00 178.44 178.96 1dca h HIS 17 N 0.31 0.00 -0.60 0.49 2.07 -1.80 0.29 115.15 115.91 1dca h HIS 17 Ca 0.39 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.84 1dca h HIS 17 Cb 1.07 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.03 1dca h HIS 17 CO -0.00 0.00 0.11 0.87 -3.07 0.00 0.00 177.93 175.84 1dca h LYS 18 N 0.00 0.99 0.00 5.12 1.57 -1.81 -2.81 116.57 119.63 1dca h LYS 18 Ca 0.14 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 1dca h LYS 18 Cb 0.78 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1dca h LYS 18 CO -0.00 0.92 -1.76 -0.25 -0.57 0.00 0.00 179.45 177.79 1dca n ASP 19 N -4.31 0.29 -3.62 0.86 8.00 -0.68 -4.70 116.55 112.39 1dca n ASP 19 Ca 0.03 0.12 -0.29 0.00 0.71 0.00 0.00 54.79 55.36 1dca n ASP 19 Cb 0.27 1.29 -0.12 0.00 -0.02 0.00 0.00 41.12 42.54 1dca n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1dca s PHE 20 N -3.27 1.74 0.64 1.24 0.08 0.94 -4.98 117.98 114.38 1dca s PHE 20 Ca -0.06 -2.36 0.35 0.00 0.12 0.00 0.00 56.93 54.98 1dca s PHE 20 Cb 0.11 -1.59 1.93 0.00 -0.57 0.00 0.00 43.02 42.90 1dca s PHE 20 CO 0.86 -0.77 2.14 -1.35 -0.10 0.00 0.00 175.22 176.00 1dca h PRO 21 N 6.39 0.00 0.00 0.24 0.11 -1.73 -1.42 132.00 135.59 1dca h PRO 21 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1dca h PRO 21 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1dca h PRO 21 CO 0.45 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.21 1dca h ILE 22 N 0.00 0.00 -0.91 4.15 2.10 -1.89 -2.84 117.51 118.12 1dca h ILE 22 Ca 0.03 -0.33 0.26 0.00 1.08 0.00 0.00 64.86 65.90 1dca h ILE 22 Cb 0.38 1.18 -0.04 0.00 -1.09 0.00 0.00 36.82 37.25 1dca h ILE 22 CO -0.00 0.00 0.81 0.00 -1.08 0.00 0.00 178.15 177.88 1dca h ALA 23 N 2.12 2.76 -0.23 0.18 0.00 -1.57 0.90 119.26 123.42 1dca h ALA 23 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1dca h ALA 23 Cb 0.39 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1dca h ALA 23 CO 0.00 -1.27 -0.15 1.63 0.00 0.00 0.00 179.25 179.46 1dca n LYS 24 N -3.81 1.88 -0.14 0.00 5.02 -1.07 -4.98 118.16 115.06 1dca n LYS 24 Ca 0.19 -3.11 -0.03 0.00 -2.02 0.00 0.00 58.31 53.34 1dca n LYS 24 Cb 1.11 -1.75 0.02 0.00 -0.02 0.00 0.00 35.03 34.39 1dca n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dca n GLY 25 N -1.07 -1.79 0.13 0.72 0.00 0.31 -5.02 105.19 98.48 1dca n GLY 25 Ca 0.27 -1.57 0.02 0.00 0.00 0.00 0.00 46.02 44.74 1dca n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1dca h GLU 26 N 0.00 0.00 -2.08 1.61 4.39 -1.96 -3.39 114.58 113.15 1dca h GLU 26 Ca -0.04 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.13 1dca h GLU 26 Cb 0.11 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.36 1dca h GLU 26 CO 0.03 0.52 -1.00 2.89 -1.16 0.00 0.00 179.01 180.29 1dca n ARG 27 N -3.22 1.55 -3.23 2.33 1.85 -1.26 -4.72 116.66 109.95 1dca n ARG 27 Ca 0.02 -3.79 -0.31 0.00 -1.00 0.00 0.00 57.85 52.76 1dca n ARG 27 Cb 0.75 -1.76 -0.05 0.00 -1.05 0.00 0.00 32.46 30.35 1dca n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1dca s GLN 28 N -2.37 3.84 0.07 2.89 -1.52 -1.26 -2.72 119.66 118.59 1dca s GLN 28 Ca 0.41 0.40 0.08 0.00 -1.95 0.00 0.00 55.36 54.29 1dca s GLN 28 Cb 0.27 -2.54 -0.03 0.00 -0.22 0.00 0.00 33.01 30.49 1dca s GLN 28 CO -0.09 0.20 -0.22 -1.12 -0.25 0.00 0.00 175.29 173.81 1dca s SER 29 N -2.55 2.65 0.72 5.90 0.01 -1.26 -4.71 113.70 114.45 1dca s SER 29 Ca 0.50 -0.60 -0.05 0.00 1.31 0.00 0.00 55.95 57.11 1dca s SER 29 Cb -0.11 -0.19 0.10 0.00 0.21 0.00 0.00 66.02 66.02 1dca s SER 29 CO 0.23 0.14 1.01 -2.16 0.41 0.00 0.00 173.24 172.86 1dca s PRO 30 N -1.50 1.88 0.14 12.44 0.04 -1.26 -4.82 135.00 141.92 1dca s PRO 30 Ca 0.08 -0.64 -0.04 0.00 0.04 0.00 0.00 61.00 60.44 1dca s PRO 30 Cb -0.09 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1dca s PRO 30 CO 0.03 -1.37 0.13 0.14 0.04 0.00 0.00 177.00 175.96 1dca s VAL 31 N -3.22 0.10 -0.12 -0.36 -7.23 -1.26 -0.30 120.40 108.01 1dca s VAL 31 Ca 0.63 -1.72 -0.19 0.00 -1.81 0.00 0.00 61.98 58.90 1dca s VAL 31 Cb -0.08 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1dca s VAL 31 CO 0.45 -0.44 0.50 -0.62 -0.31 0.00 0.00 175.10 174.67 1dca s ASP 32 N -3.01 6.69 -0.50 4.85 2.15 -1.26 -3.25 116.67 122.33 1dca s ASP 32 Ca 0.21 0.83 -0.21 0.00 0.43 0.00 0.00 52.55 53.81 1dca s ASP 32 Cb 0.06 -2.30 0.05 0.00 -0.30 0.00 0.00 42.92 40.43 1dca s ASP 32 CO 0.00 -0.03 0.70 -0.63 -0.17 0.00 0.00 175.17 175.04 1dca s ILE 33 N 0.75 4.75 -0.48 4.11 1.01 0.99 -4.97 121.20 127.37 1dca s ILE 33 Ca 0.27 -0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.48 1dca s ILE 33 Cb -0.15 -4.34 0.03 0.00 0.01 0.00 0.00 42.46 38.02 1dca s ILE 33 CO 0.11 -0.84 0.79 -0.62 0.00 0.00 0.00 174.94 174.38 1dca s ASP 34 N 2.60 6.35 0.52 3.58 -1.08 -1.26 -0.69 116.67 126.69 1dca s ASP 34 Ca 0.20 -0.32 0.26 0.00 -0.52 0.00 0.00 52.55 52.17 1dca s ASP 34 Cb -0.17 -2.38 1.43 0.00 -1.46 0.00 0.00 42.92 40.34 1dca s ASP 34 CO 0.15 -0.98 2.07 0.71 0.52 0.00 0.00 175.17 177.64 1dca h THR 35 N 5.96 0.61 0.00 1.71 1.35 -1.95 -0.95 112.91 119.64 1dca h THR 35 Ca -0.26 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1dca h THR 35 Cb 1.08 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1dca h THR 35 CO 0.99 0.12 -0.51 0.45 -0.25 0.00 0.00 175.52 176.31 1dca h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.28 115.15 118.43 1dca h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1dca h HIS 36 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1dca h HIS 36 CO 0.00 0.00 -1.48 2.41 0.86 0.00 0.00 177.93 179.72 1dca n THR 37 N -2.27 0.00 -2.04 2.45 -1.04 -0.92 -4.96 114.28 105.50 1dca n THR 37 Ca 0.03 -0.30 -0.40 0.00 -2.04 0.00 0.00 64.05 61.34 1dca n THR 37 Cb 0.46 0.39 -0.01 0.00 -1.82 0.00 0.00 70.33 69.35 1dca n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dca s ALA 38 N -3.02 3.34 -0.30 2.41 0.00 -0.41 -4.83 121.76 118.95 1dca s ALA 38 Ca -0.02 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 1dca s ALA 38 Cb 0.12 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1dca s ALA 38 CO 0.72 -0.82 0.20 0.21 0.00 0.00 0.00 175.76 176.08 1dca s LYS 39 N -2.13 3.81 0.03 0.00 2.36 0.39 -4.85 119.74 119.35 1dca s LYS 39 Ca 0.55 -0.42 -0.30 0.00 -2.55 0.00 0.00 55.97 53.25 1dca s LYS 39 Cb -0.39 -3.69 -0.07 0.00 -1.05 0.00 0.00 37.83 32.62 1dca s LYS 39 CO 0.51 -0.26 1.60 -0.47 1.55 0.00 0.00 175.35 178.29 1dca s TYR 40 N 1.75 2.41 -0.29 4.03 5.04 -1.26 -0.61 117.35 128.42 1dca s TYR 40 Ca 0.07 0.39 0.03 0.00 -2.44 0.00 0.00 57.07 55.12 1dca s TYR 40 Cb -0.16 -3.89 0.07 0.00 0.35 0.00 0.00 41.96 38.33 1dca s TYR 40 CO 0.11 -3.57 -0.05 0.34 -1.34 0.00 0.00 175.55 171.04 1dca s ASP 41 N 2.50 4.59 0.61 4.32 2.15 -0.46 -4.89 116.67 125.48 1dca s ASP 41 Ca 0.72 -1.66 0.37 0.00 0.43 0.00 0.00 52.55 52.40 1dca s ASP 41 Cb -0.37 -1.59 1.97 0.00 -0.30 0.00 0.00 42.92 42.63 1dca s ASP 41 CO 0.31 -0.26 2.24 1.55 -0.17 0.00 0.00 175.17 178.83 1dca h PRO 42 N 7.73 0.00 -0.00 4.34 0.13 -1.92 -2.19 132.00 140.08 1dca h PRO 42 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1dca h PRO 42 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1dca h PRO 42 CO 0.49 0.02 -0.01 -1.13 -0.23 0.00 0.00 178.00 177.14 1dca n SER 43 N -3.36 0.47 -4.68 1.44 3.41 -1.26 -4.79 113.62 104.85 1dca n SER 43 Ca -0.02 -1.06 -0.42 0.00 -0.26 0.00 0.00 58.87 57.10 1dca n SER 43 Cb 0.14 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 1dca n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1dca s LEU 44 N -2.07 4.19 0.56 1.04 1.02 -0.82 -5.03 118.68 117.56 1dca s LEU 44 Ca 0.42 1.42 -0.10 0.00 0.02 0.00 0.00 54.13 55.89 1dca s LEU 44 Cb 0.21 -3.49 -0.05 0.00 0.02 0.00 0.00 46.19 42.89 1dca s LEU 44 CO 0.38 -0.51 0.95 -0.54 0.02 0.00 0.00 176.35 176.64 1dca s LYS 45 N 2.40 3.64 0.63 1.70 1.02 -1.25 -4.99 119.74 122.90 1dca s LYS 45 Ca 0.45 0.62 -0.17 0.00 0.02 0.00 0.00 55.97 56.88 1dca s LYS 45 Cb -0.17 -2.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.94 1dca s LYS 45 CO 0.13 -0.41 1.19 -2.14 -0.92 0.00 0.00 175.35 173.21 1dca s PRO 46 N -4.85 2.77 0.51 -1.68 0.02 -1.26 -2.63 135.00 127.88 1dca s PRO 46 Ca 0.53 1.75 -0.19 0.00 0.02 0.00 0.00 61.00 63.12 1dca s PRO 46 Cb -0.11 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.43 1dca s PRO 46 CO 0.47 -1.35 1.02 -0.51 -0.33 0.00 0.00 177.00 176.31 1dca s LEU 47 N -4.41 3.74 -0.36 -5.54 1.43 -1.26 -1.96 118.68 110.31 1dca s LEU 47 Ca 0.75 1.79 0.01 0.00 -1.03 0.00 0.00 54.13 55.66 1dca s LEU 47 Cb -0.29 -4.54 0.11 0.00 0.03 0.00 0.00 46.19 41.51 1dca s LEU 47 CO 0.37 -0.77 0.14 -0.55 0.23 0.00 0.00 176.35 175.77 1dca s SER 48 N -2.41 4.03 -0.50 2.29 0.15 0.68 -4.88 113.70 113.06 1dca s SER 48 Ca 0.64 -2.07 -0.17 0.00 0.70 0.00 0.00 55.95 55.05 1dca s SER 48 Cb -0.14 -1.06 0.08 0.00 -1.71 0.00 0.00 66.02 63.19 1dca s SER 48 CO 0.25 -0.36 0.48 -0.69 1.20 0.00 0.00 173.24 174.12 1dca s VAL 49 N 1.05 5.13 -0.71 4.45 1.01 -1.26 -1.60 120.40 128.47 1dca s VAL 49 Ca 0.13 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1dca s VAL 49 Cb -0.20 -4.22 0.18 0.00 0.00 0.00 0.00 36.38 32.15 1dca s VAL 49 CO -0.14 -0.70 0.56 -0.44 0.00 0.00 0.00 175.10 174.38 1dca s SER 50 N 2.83 5.65 -0.08 3.32 0.01 -0.18 -4.89 113.70 120.36 1dca s SER 50 Ca 0.07 -2.97 0.12 0.00 1.31 0.00 0.00 55.95 54.47 1dca s SER 50 Cb -0.24 -1.93 0.29 0.00 0.21 0.00 0.00 66.02 64.34 1dca s SER 50 CO 0.07 -0.38 1.21 -1.22 0.41 0.00 0.00 173.24 173.33 1dca n TYR 51 N 3.38 0.35 -0.06 2.43 4.01 -1.26 -1.22 117.16 124.80 1dca n TYR 51 Ca 0.11 -0.73 0.03 0.00 -0.16 0.00 0.00 57.90 57.15 1dca n TYR 51 Cb 0.39 -0.14 0.37 0.00 -0.31 0.00 0.00 39.34 39.65 1dca n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1dca h ASP 52 N 0.93 0.58 -0.60 7.72 2.03 -1.90 -2.53 116.42 122.64 1dca h ASP 52 Ca 0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1dca h ASP 52 Cb 0.93 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1dca h ASP 52 CO 0.06 0.44 0.00 1.67 -1.03 0.00 0.00 179.24 180.37 1dca n GLN 53 N -4.45 3.40 -1.68 4.15 -0.06 -1.21 -5.02 117.38 112.52 1dca n GLN 53 Ca 0.04 -2.59 -0.44 0.00 -2.00 0.00 0.00 57.00 52.02 1dca n GLN 53 Cb 0.06 -1.81 -0.02 0.00 -4.06 0.00 0.00 30.24 24.41 1dca n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1dca n ALA 54 N 1.06 1.31 -4.01 1.69 0.00 -0.96 -4.59 120.51 115.02 1dca n ALA 54 Ca 0.23 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.76 1dca n ALA 54 Cb 0.80 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 17.80 1dca n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dca s THR 55 N -0.14 2.15 0.37 0.00 2.01 -1.26 -4.88 115.64 113.90 1dca s THR 55 Ca 0.66 -2.08 -0.14 0.00 0.31 0.00 0.00 61.69 60.44 1dca s THR 55 Cb -0.62 -2.50 -0.08 0.00 0.01 0.00 0.00 72.50 69.30 1dca s THR 55 CO 0.51 -0.44 0.78 -0.94 -0.69 0.00 0.00 174.62 173.83 1dca s SER 56 N 1.01 6.69 0.00 3.53 1.04 -1.26 -1.63 113.70 123.08 1dca s SER 56 Ca 0.05 1.29 0.00 0.00 0.48 0.00 0.00 55.95 57.77 1dca s SER 56 Cb -0.19 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1dca s SER 56 CO -0.08 -0.31 0.00 0.18 0.98 0.00 0.00 173.24 174.01 1dca n LEU 57 N -0.79 0.24 -3.69 2.42 4.77 -0.45 -4.20 117.00 115.30 1dca n LEU 57 Ca 0.04 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.98 1dca n LEU 57 Cb 0.54 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1dca n LEU 57 CO 0.43 0.02 0.76 0.00 -1.33 0.00 0.00 177.39 177.28 1dca s ARG 58 N -2.00 1.00 -0.01 3.23 1.04 -1.24 -1.18 118.95 119.80 1dca s ARG 58 Ca 0.00 -0.52 0.06 0.00 -1.04 0.00 0.00 55.73 54.23 1dca s ARG 58 Cb 0.00 0.36 -0.02 0.00 -2.04 0.00 0.00 34.95 33.26 1dca s ARG 58 CO 0.00 -0.46 -0.19 -1.50 -0.04 0.00 0.00 175.30 173.11 1dca s ILE 59 N -3.13 1.53 -0.02 4.99 2.07 -0.15 -1.23 121.20 125.27 1dca s ILE 59 Ca 0.11 -0.83 -0.07 0.00 -1.41 0.00 0.00 60.65 58.45 1dca s ILE 59 Cb -0.01 -1.27 0.01 0.00 0.13 0.00 0.00 42.46 41.32 1dca s ILE 59 CO -0.01 0.43 0.15 -1.48 -1.91 0.00 0.00 174.94 172.12 1dca s LEU 60 N -0.46 1.48 -0.38 8.50 2.34 -0.41 -0.07 118.68 129.68 1dca s LEU 60 Ca 0.07 -0.05 -0.15 0.00 0.06 0.00 0.00 54.13 54.06 1dca s LEU 60 Cb -0.07 0.66 0.00 0.00 -0.56 0.00 0.00 46.19 46.22 1dca s LEU 60 CO -0.01 -0.29 0.35 0.21 -1.06 0.00 0.00 176.35 175.56 1dca s ASN 61 N -0.98 6.15 0.00 1.48 3.84 0.69 -1.00 114.94 125.12 1dca s ASN 61 Ca -0.11 -0.53 0.22 0.00 0.21 0.00 0.00 52.86 52.65 1dca s ASN 61 Cb -0.06 -2.19 0.53 0.00 -0.55 0.00 0.00 41.25 38.99 1dca s ASN 61 CO 0.01 -0.41 1.45 -0.46 -2.79 0.00 0.00 177.10 174.90 1dca n ASN 62 N 5.35 2.76 0.00 -4.21 0.23 -0.78 0.26 115.26 118.87 1dca n ASN 62 Ca -0.10 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 52.06 1dca n ASN 62 Cb 0.48 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1dca n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dca n GLY 63 N 1.36 1.54 0.00 4.83 0.00 -1.26 -4.75 105.19 106.90 1dca n GLY 63 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1dca n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1dca n HIS 64 N -2.00 0.00 -3.65 1.61 -0.00 -1.26 -4.61 115.22 105.31 1dca n HIS 64 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 1dca n HIS 64 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.01 1dca n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1dca n ALA 65 N -1.60 -1.50 -2.77 1.59 0.00 -1.26 -4.87 120.51 110.10 1dca n ALA 65 Ca 0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 53.44 52.42 1dca n ALA 65 Cb 0.25 0.45 -0.14 0.00 0.00 0.00 0.00 19.45 20.01 1dca n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1dca s PHE 66 N -3.95 2.71 -0.08 0.00 -0.71 -1.26 -1.87 117.98 112.83 1dca s PHE 66 Ca 0.13 -0.44 0.04 0.00 -1.04 0.00 0.00 56.93 55.62 1dca s PHE 66 Cb -0.02 -1.72 -0.01 0.00 -1.21 0.00 0.00 43.02 40.06 1dca s PHE 66 CO 0.05 -0.03 -0.21 -0.80 -1.34 0.00 0.00 175.22 172.89 1dca s ASN 67 N -0.20 3.42 -0.33 1.98 0.02 -0.17 -4.22 114.94 115.43 1dca s ASN 67 Ca -0.00 -0.44 -0.09 0.00 -1.02 0.00 0.00 52.86 51.31 1dca s ASN 67 Cb -0.13 -1.14 0.02 0.00 0.02 0.00 0.00 41.25 40.01 1dca s ASN 67 CO 0.03 0.22 0.14 -0.69 0.02 0.00 0.00 177.10 176.83 1dca s VAL 68 N -0.01 4.29 0.06 1.60 1.01 -0.59 -1.29 120.40 125.47 1dca s VAL 68 Ca -0.07 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 1dca s VAL 68 Cb -0.15 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1dca s VAL 68 CO 0.05 -0.08 0.33 -1.61 0.00 0.00 0.00 175.10 173.79 1dca s GLU 69 N 1.53 3.63 0.13 2.72 2.02 -0.36 -1.72 118.70 126.64 1dca s GLU 69 Ca 0.02 -0.03 0.07 0.00 0.02 0.00 0.00 54.97 55.06 1dca s GLU 69 Cb -0.18 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 1dca s GLU 69 CO 0.05 0.58 -0.18 -0.06 0.02 0.00 0.00 175.26 175.67 1dca s PHE 70 N -1.43 1.64 -0.23 1.61 0.40 0.05 -1.34 117.98 118.68 1dca s PHE 70 Ca 0.33 -0.47 -0.29 0.00 -0.60 0.00 0.00 56.93 55.89 1dca s PHE 70 Cb -0.13 -0.86 -0.02 0.00 0.51 0.00 0.00 43.02 42.52 1dca s PHE 70 CO 0.19 0.22 1.44 0.34 0.70 0.00 0.00 175.22 178.11 1dca s ASP 71 N -2.29 6.60 -0.28 1.36 2.15 -0.65 -4.75 116.67 118.82 1dca s ASP 71 Ca 0.09 1.50 0.08 0.00 0.43 0.00 0.00 52.55 54.66 1dca s ASP 71 Cb -0.07 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.46 1dca s ASP 71 CO 0.05 -1.09 1.24 -0.90 -0.17 0.00 0.00 175.17 174.30 1dca n ASP 72 N 7.77 3.76 -0.23 -0.34 5.75 -1.26 -4.66 116.55 127.34 1dca n ASP 72 Ca 0.16 -3.81 0.12 0.00 -0.01 0.00 0.00 54.79 51.25 1dca n ASP 72 Cb 0.46 -0.44 0.23 0.00 -1.03 0.00 0.00 41.12 40.33 1dca n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1dca n SER 73 N -0.88 1.13 -3.82 -1.12 3.41 -1.26 -4.91 113.62 106.17 1dca n SER 73 Ca 0.35 -0.91 -0.09 0.00 -0.26 0.00 0.00 58.87 57.96 1dca n SER 73 Cb 0.87 0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 65.06 1dca n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dca s GLN 74 N -2.64 0.85 -1.25 4.33 -0.21 -1.26 -5.07 119.66 114.41 1dca s GLN 74 Ca 0.19 -0.85 -0.20 0.00 0.02 0.00 0.00 55.36 54.51 1dca s GLN 74 Cb 0.18 0.35 -0.01 0.00 1.00 0.00 0.00 33.01 34.54 1dca s GLN 74 CO 0.60 -0.28 1.84 -0.25 -2.12 0.00 0.00 175.29 175.08 1dca n ASP 75 N 0.05 4.05 -0.10 5.90 9.92 -1.26 -4.57 116.55 130.54 1dca n ASP 75 Ca -0.16 -2.82 -0.14 0.00 -0.53 0.00 0.00 54.79 51.14 1dca n ASP 75 Cb 0.62 -1.74 -0.09 0.00 -0.64 0.00 0.00 41.12 39.26 1dca n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1dca n LYS 76 N 8.31 0.52 -3.83 -1.24 5.02 -1.26 -4.84 118.16 120.83 1dca n LYS 76 Ca 0.47 0.12 -0.29 0.00 -2.02 0.00 0.00 58.31 56.59 1dca n LYS 76 Cb 0.46 -1.41 -0.16 0.00 -0.02 0.00 0.00 35.03 33.90 1dca n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dca s ALA 77 N -2.41 1.53 0.20 7.82 0.00 -1.26 -3.34 121.76 124.31 1dca s ALA 77 Ca -0.28 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 50.59 1dca s ALA 77 Cb 0.07 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1dca s ALA 77 CO 0.47 -1.26 -0.08 0.14 0.00 0.00 0.00 175.76 175.03 1dca s VAL 78 N 1.60 1.36 -0.02 0.00 -7.23 -0.35 -1.19 120.40 114.57 1dca s VAL 78 Ca -0.01 -2.11 0.03 0.00 -1.81 0.00 0.00 61.98 58.08 1dca s VAL 78 Cb -0.18 -2.12 -0.00 0.00 0.56 0.00 0.00 36.38 34.64 1dca s VAL 78 CO -0.09 -0.53 -0.12 -0.22 -0.31 0.00 0.00 175.10 173.83 1dca s LEU 79 N -3.28 1.89 0.32 1.32 0.20 -0.16 -1.02 118.68 117.96 1dca s LEU 79 Ca 0.23 -0.23 -0.15 0.00 0.69 0.00 0.00 54.13 54.67 1dca s LEU 79 Cb 0.03 -0.66 0.03 0.00 -0.43 0.00 0.00 46.19 45.16 1dca s LEU 79 CO 0.06 0.11 0.67 -1.59 -0.29 0.00 0.00 176.35 175.32 1dca s LYS 80 N -0.01 1.93 1.92 1.98 -2.85 -0.63 -2.05 119.74 120.03 1dca s LYS 80 Ca -0.00 -1.30 0.00 0.00 -1.00 0.00 0.00 55.97 53.67 1dca s LYS 80 Cb -0.08 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 1dca s LYS 80 CO 0.00 -0.87 0.00 0.41 0.10 0.00 0.00 175.35 174.99 1dca n GLY 81 N -0.49 -1.50 7.00 0.59 0.00 -1.26 -0.23 105.19 109.30 1dca n GLY 81 Ca -0.05 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1dca n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dca n GLY 82 N 0.00 2.51 0.29 -0.02 0.00 -0.83 -1.39 105.19 105.75 1dca n GLY 82 Ca 0.00 -0.47 0.15 0.00 0.00 0.00 0.00 46.02 45.70 1dca n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dca n PRO 83 N 13.61 1.32 -2.86 1.61 -0.04 -1.26 -3.77 135.00 143.61 1dca n PRO 83 Ca 0.00 -0.57 -0.33 0.00 -0.04 0.00 0.00 63.50 62.56 1dca n PRO 83 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 1dca n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dca s LEU 84 N -2.08 3.94 -0.11 1.53 1.43 -0.49 -5.08 118.68 117.83 1dca s LEU 84 Ca 0.39 1.57 0.02 0.00 -1.03 0.00 0.00 54.13 55.09 1dca s LEU 84 Cb 0.21 -4.42 0.01 0.00 0.03 0.00 0.00 46.19 42.02 1dca s LEU 84 CO 0.37 -0.35 -0.19 -1.81 0.23 0.00 0.00 176.35 174.61 1dca s ASP 85 N -2.30 2.67 0.00 2.29 1.01 -1.26 -4.32 116.67 114.76 1dca s ASP 85 Ca 0.60 -0.49 0.00 0.00 0.71 0.00 0.00 52.55 53.37 1dca s ASP 85 Cb -0.09 -1.22 0.00 0.00 1.01 0.00 0.00 42.92 42.62 1dca s ASP 85 CO 0.16 0.07 0.00 0.61 0.21 0.00 0.00 175.17 176.22 1dca n GLY 86 N 3.96 -0.75 3.85 0.21 0.00 -1.26 -4.96 105.19 106.24 1dca n GLY 86 Ca -0.20 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 1dca n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dca s THR 87 N -1.69 5.26 -0.11 2.61 2.01 -1.26 -4.64 115.64 117.82 1dca s THR 87 Ca 0.00 0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.56 1dca s THR 87 Cb 0.00 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1dca s THR 87 CO 0.00 0.58 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.03 1dca s TYR 88 N -0.95 2.16 -0.01 4.92 1.51 -0.87 -1.24 117.35 122.86 1dca s TYR 88 Ca 0.19 -1.02 -0.16 0.00 -1.01 0.00 0.00 57.07 55.08 1dca s TYR 88 Cb -0.14 -1.52 -0.06 0.00 -0.11 0.00 0.00 41.96 40.13 1dca s TYR 88 CO 0.09 -0.49 0.44 1.03 -1.11 0.00 0.00 175.55 175.50 1dca s ARG 89 N 0.88 4.05 -0.01 -0.62 0.52 -0.77 -0.99 118.95 122.00 1dca s ARG 89 Ca -0.08 0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 55.29 1dca s ARG 89 Cb -0.15 -3.27 -0.05 0.00 0.52 0.00 0.00 34.95 32.00 1dca s ARG 89 CO -0.01 0.57 1.41 -1.17 0.02 0.00 0.00 175.30 176.13 1dca s LEU 90 N -0.73 4.31 -0.08 2.53 2.96 -0.33 -1.20 118.68 126.13 1dca s LEU 90 Ca 0.25 2.10 -0.00 0.00 -0.22 0.00 0.00 54.13 56.25 1dca s LEU 90 Cb -0.17 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1dca s LEU 90 CO 0.13 -0.73 -0.08 0.00 -1.32 0.00 0.00 176.35 174.35 1dca n ILE 91 N 4.75 0.48 -3.77 6.68 3.06 -0.00 -4.53 119.36 126.03 1dca n ILE 91 Ca 0.13 -0.17 -0.06 0.00 -2.50 0.00 0.00 62.75 60.16 1dca n ILE 91 Cb 0.44 -0.97 -0.02 0.00 0.54 0.00 0.00 39.64 39.63 1dca n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1dca s GLN 92 N -2.17 1.44 0.02 9.51 1.03 -1.18 -0.77 119.66 127.54 1dca s GLN 92 Ca -0.11 -0.77 -0.05 0.00 0.04 0.00 0.00 55.36 54.46 1dca s GLN 92 Cb 0.03 0.51 -0.01 0.00 0.03 0.00 0.00 33.01 33.57 1dca s GLN 92 CO 0.18 -0.66 0.10 -0.59 -2.54 0.00 0.00 175.29 171.78 1dca s PHE 93 N -3.58 0.15 0.29 9.60 -0.12 -0.70 -0.22 117.98 123.39 1dca s PHE 93 Ca 0.11 -0.37 -0.13 0.00 -0.05 0.00 0.00 56.93 56.48 1dca s PHE 93 Cb -0.03 -0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.25 1dca s PHE 93 CO 0.03 -0.31 0.57 -3.38 -0.05 0.00 0.00 175.22 172.08 1dca s HIS 94 N -2.01 0.32 0.23 3.49 -3.43 -0.81 -1.54 115.29 111.54 1dca s HIS 94 Ca -0.10 -0.72 0.05 0.00 -0.80 0.00 0.00 55.06 53.48 1dca s HIS 94 Cb -0.05 0.35 -0.05 0.00 -1.43 0.00 0.00 32.58 31.40 1dca s HIS 94 CO -0.02 -1.15 -0.04 -0.06 -2.00 0.00 0.00 174.74 171.47 1dca s PHE 95 N -3.61 1.60 -0.06 0.38 0.40 -1.26 -1.33 117.98 114.10 1dca s PHE 95 Ca 0.20 -0.83 0.02 0.00 -0.60 0.00 0.00 56.93 55.73 1dca s PHE 95 Cb -0.02 -0.90 0.01 0.00 0.51 0.00 0.00 43.02 42.62 1dca s PHE 95 CO 0.11 0.07 -0.12 -1.01 0.70 0.00 0.00 175.22 174.97 1dca s HIS 96 N -3.29 1.41 0.22 0.36 3.76 -0.46 -4.73 115.29 112.55 1dca s HIS 96 Ca 0.26 -0.51 -0.01 0.00 -0.15 0.00 0.00 55.06 54.65 1dca s HIS 96 Cb 0.04 -1.04 -0.04 0.00 1.11 0.00 0.00 32.58 32.66 1dca s HIS 96 CO 0.08 -0.26 0.18 1.67 -0.85 0.00 0.00 174.74 175.55 1dca s TRP 97 N 0.65 1.15 0.44 1.40 -2.14 -1.23 -1.16 118.94 118.05 1dca s TRP 97 Ca -0.14 -1.35 0.05 0.00 2.66 0.00 0.00 56.10 57.32 1dca s TRP 97 Cb -0.15 -0.50 0.05 0.00 -3.10 0.00 0.00 33.47 29.76 1dca s TRP 97 CO 0.03 -0.70 0.41 0.41 -2.66 0.00 0.00 176.95 174.45 1dca n GLY 98 N -0.31 2.57 0.11 3.67 0.00 -1.17 -1.67 105.19 108.39 1dca n GLY 98 Ca 0.02 -2.25 0.05 0.00 0.00 0.00 0.00 46.02 43.84 1dca n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1dca h SER 99 N 0.39 0.00 -2.94 1.61 4.64 -1.90 -3.38 113.55 111.97 1dca h SER 99 Ca -0.26 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.57 1dca h SER 99 Cb 1.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.95 1dca h SER 99 CO 0.39 0.31 -0.65 -0.76 -0.87 0.00 0.00 176.83 175.26 1dca s LEU 100 N -5.70 2.42 0.32 5.97 2.01 -1.26 -5.05 118.68 117.39 1dca s LEU 100 Ca -0.01 -1.26 0.13 0.00 0.01 0.00 0.00 54.13 53.00 1dca s LEU 100 Cb 0.09 -0.57 0.54 0.00 0.01 0.00 0.00 46.19 46.26 1dca s LEU 100 CO 0.79 -0.43 1.71 0.44 1.01 0.00 0.00 176.35 179.87 1dca h ASP 101 N 2.19 0.00 0.18 2.29 3.32 -1.91 -2.90 116.42 119.60 1dca h ASP 101 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1dca h ASP 101 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1dca h ASP 101 CO 0.69 0.49 0.00 0.61 -1.72 0.00 0.00 179.24 179.31 1dca n GLY 102 N -0.03 -0.80 3.33 2.75 0.00 -1.26 -3.61 105.19 105.57 1dca n GLY 102 Ca -0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1dca n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dca s GLN 103 N -2.28 1.09 0.00 1.61 -2.07 -1.10 -4.67 119.66 112.25 1dca s GLN 103 Ca 0.26 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 52.83 1dca s GLN 103 Cb 0.14 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 32.47 1dca s GLN 103 CO 0.28 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.25 1dca n GLY 104 N -0.20 1.43 3.87 2.60 0.00 -1.14 -3.04 105.19 108.71 1dca n GLY 104 Ca -0.12 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1dca n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dca s SER 105 N 0.00 5.76 -0.18 1.61 1.04 -0.71 -3.52 113.70 117.70 1dca s SER 105 Ca 0.00 1.32 -0.14 0.00 0.48 0.00 0.00 55.95 57.60 1dca s SER 105 Cb 0.00 -2.24 -0.07 0.00 0.10 0.00 0.00 66.02 63.81 1dca s SER 105 CO 0.00 -1.16 -0.18 -0.62 0.98 0.00 0.00 173.24 172.26 1dca n GLU 106 N -2.92 0.51 -2.39 4.02 1.02 -1.26 -4.86 120.64 114.75 1dca n GLU 106 Ca 0.07 0.42 -0.33 0.00 -0.02 0.00 0.00 57.16 57.30 1dca n GLU 106 Cb 0.55 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 1dca n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1dca s HIS 107 N -2.47 3.28 0.06 -0.32 3.76 -1.26 -4.50 115.29 113.84 1dca s HIS 107 Ca -0.24 1.51 0.04 0.00 -0.15 0.00 0.00 55.06 56.22 1dca s HIS 107 Cb 0.05 -2.88 -0.03 0.00 1.11 0.00 0.00 32.58 30.83 1dca s HIS 107 CO 0.37 -0.55 -0.11 0.95 -0.85 0.00 0.00 174.74 174.55 1dca s THR 108 N -2.45 0.87 -0.26 1.30 -4.23 -1.20 -4.70 115.64 104.96 1dca s THR 108 Ca 0.61 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1dca s THR 108 Cb -0.12 -0.92 0.05 0.00 1.34 0.00 0.00 72.50 72.85 1dca s THR 108 CO 0.29 -0.32 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.27 1dca s VAL 109 N -1.44 2.46 -1.64 2.29 1.01 -0.98 -0.01 120.40 122.09 1dca s VAL 109 Ca -0.04 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1dca s VAL 109 Cb -0.09 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1dca s VAL 109 CO 0.01 0.05 0.00 0.47 0.00 0.00 0.00 175.10 175.63 1dca n ASP 110 N 4.53 -5.42 0.00 3.32 8.00 0.13 -0.91 116.55 126.20 1dca n ASP 110 Ca -0.15 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1dca n ASP 110 Cb 0.44 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.00 1dca n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1dca n LYS 111 N -2.92 0.00 -2.55 -1.24 4.76 -1.26 -5.01 118.16 109.94 1dca n LYS 111 Ca -0.22 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.81 1dca n LYS 111 Cb 0.67 -2.08 -0.04 0.00 -1.84 0.00 0.00 35.03 31.73 1dca n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1dca s LYS 112 N -0.10 4.62 -0.10 1.97 2.20 -0.09 -5.01 119.74 123.23 1dca s LYS 112 Ca 0.00 1.68 -0.03 0.00 -0.36 0.00 0.00 55.97 57.26 1dca s LYS 112 Cb 0.00 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1dca s LYS 112 CO 0.00 0.11 0.03 0.15 -0.36 0.00 0.00 175.35 175.28 1dca s LYS 113 N -0.40 3.19 0.37 4.03 1.02 -1.26 -2.31 119.74 124.38 1dca s LYS 113 Ca 0.49 -0.36 0.06 0.00 0.02 0.00 0.00 55.97 56.17 1dca s LYS 113 Cb -0.29 -2.91 -0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1dca s LYS 113 CO 0.34 0.65 0.52 0.71 -0.92 0.00 0.00 175.35 176.66 1dca s TYR 114 N -0.72 3.07 0.35 3.18 2.02 -1.26 -4.72 117.35 119.27 1dca s TYR 114 Ca 0.12 -0.18 0.18 0.00 -0.37 0.00 0.00 57.07 56.82 1dca s TYR 114 Cb -0.12 -2.13 0.96 0.00 -0.40 0.00 0.00 41.96 40.28 1dca s TYR 114 CO 0.02 -0.15 1.90 0.00 -1.57 0.00 0.00 175.55 175.75 1dca h ALA 115 N 0.76 1.31 -2.39 3.71 0.00 -1.19 -1.86 119.26 119.60 1dca h ALA 115 Ca -0.45 -0.25 0.17 0.00 0.00 0.00 0.00 54.91 54.38 1dca h ALA 115 Cb 1.26 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1dca h ALA 115 CO 0.52 0.34 0.50 0.00 0.00 0.00 0.00 179.25 180.62 1dca s ALA 116 N -4.13 -1.61 -0.10 0.00 0.00 -1.19 -3.44 121.76 111.30 1dca s ALA 116 Ca -0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 51.96 51.88 1dca s ALA 116 Cb 0.13 0.66 0.04 0.00 0.00 0.00 0.00 23.12 23.96 1dca s ALA 116 CO 0.67 -1.05 0.23 -2.00 0.00 0.00 0.00 175.76 173.61 1dca s GLU 117 N -3.00 0.20 -0.16 0.00 2.12 -0.31 -1.32 118.70 116.23 1dca s GLU 117 Ca 0.14 0.47 -0.08 0.00 0.36 0.00 0.00 54.97 55.86 1dca s GLU 117 Cb -0.02 -0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.25 1dca s GLU 117 CO 0.03 -0.14 0.10 -1.17 -0.54 0.00 0.00 175.26 173.54 1dca s LEU 118 N 1.03 4.08 -0.17 2.70 2.96 0.17 -1.35 118.68 128.10 1dca s LEU 118 Ca -0.08 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1dca s LEU 118 Cb -0.09 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.61 1dca s LEU 118 CO -0.07 0.26 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.09 1dca s HIS 119 N -0.15 2.38 -0.36 5.38 3.76 -0.44 -0.91 115.29 124.95 1dca s HIS 119 Ca 0.09 -1.45 -0.14 0.00 -0.15 0.00 0.00 55.06 53.41 1dca s HIS 119 Cb -0.12 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.89 1dca s HIS 119 CO 0.01 -0.72 0.29 -0.51 -0.85 0.00 0.00 174.74 172.96 1dca s LEU 120 N 1.41 4.62 -0.20 0.89 1.43 -0.23 -1.92 118.68 124.69 1dca s LEU 120 Ca 0.02 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 1dca s LEU 120 Cb -0.14 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1dca s LEU 120 CO -0.10 -0.32 0.16 -0.69 0.23 0.00 0.00 176.35 175.63 1dca s VAL 121 N 1.82 5.39 -0.00 -1.59 1.01 0.69 -1.01 120.40 126.70 1dca s VAL 121 Ca 0.08 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1dca s VAL 121 Cb -0.17 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1dca s VAL 121 CO 0.11 0.42 -0.13 -1.00 0.00 0.00 0.00 175.10 174.50 1dca s HIS 122 N 0.45 1.14 -0.04 5.22 3.76 -0.44 -0.82 115.29 124.57 1dca s HIS 122 Ca 0.09 -0.24 0.06 0.00 -0.15 0.00 0.00 55.06 54.83 1dca s HIS 122 Cb -0.12 -0.73 -0.01 0.00 1.11 0.00 0.00 32.58 32.84 1dca s HIS 122 CO -0.00 -0.01 -0.23 1.67 -0.85 0.00 0.00 174.74 175.31 1dca s TRP 123 N -0.40 2.19 -0.28 1.40 1.48 -0.34 -0.84 118.94 122.16 1dca s TRP 123 Ca 0.04 -0.53 -0.28 0.00 -1.06 0.00 0.00 56.10 54.27 1dca s TRP 123 Cb -0.05 -1.42 -0.06 0.00 -1.16 0.00 0.00 33.47 30.77 1dca s TRP 123 CO -0.00 -0.12 2.26 -1.71 -4.06 0.00 0.00 176.95 173.32 1dca n ASN 124 N 2.74 2.99 0.22 -2.66 2.85 -0.31 -1.86 115.26 119.23 1dca n ASN 124 Ca -0.17 0.11 0.13 0.00 -0.11 0.00 0.00 54.58 54.54 1dca n ASN 124 Cb 0.52 -1.53 0.68 0.00 1.24 0.00 0.00 39.78 40.69 1dca n ASN 124 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1dca h THR 125 N 7.25 0.00 0.00 -0.44 1.35 -1.52 -2.33 112.91 117.21 1dca h THR 125 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1dca h THR 125 Cb 1.25 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1dca h THR 125 CO 1.00 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.56 1dca n LYS 127 N -2.45 0.43 0.00 4.72 2.85 -1.26 -2.26 118.16 120.19 1dca n LYS 127 Ca -0.02 0.05 0.13 0.00 -1.05 0.00 0.00 58.31 57.43 1dca n LYS 127 Cb 0.18 -1.50 0.43 0.00 -0.65 0.00 0.00 35.03 33.49 1dca n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1dca n TYR 128 N -1.11 0.00 0.00 5.58 4.01 -0.88 -4.98 117.16 119.79 1dca n TYR 128 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1dca n TYR 128 Cb 0.09 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1dca n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dca n GLY 129 N 1.23 1.35 3.75 2.72 0.00 -0.96 -4.62 105.19 108.66 1dca n GLY 129 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 1dca n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1dca s ASP 130 N 0.00 -0.30 0.19 1.61 1.47 -1.26 -5.06 116.67 113.32 1dca s ASP 130 Ca 0.00 -0.53 -0.12 0.00 1.18 0.00 0.00 52.55 53.08 1dca s ASP 130 Cb 0.00 0.69 0.19 0.00 -0.34 0.00 0.00 42.92 43.46 1dca s ASP 130 CO 0.00 -1.25 1.73 0.15 0.68 0.00 0.00 175.17 176.48 1dca h PHE 131 N 2.03 0.26 -0.70 2.11 3.57 -1.94 -2.26 116.94 120.00 1dca h PHE 131 Ca -0.23 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.37 1dca h PHE 131 Cb 1.26 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 1dca h PHE 131 CO 0.39 0.05 0.46 0.78 -2.23 0.00 0.00 178.31 177.77 1dca h GLY 132 N 0.31 0.92 1.63 2.40 0.00 -1.97 -1.34 103.07 105.01 1dca h GLY 132 Ca 0.25 -0.29 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 1dca h GLY 132 CO -0.29 0.21 -1.17 0.50 0.00 0.00 0.00 176.54 175.80 1dca h LYS 133 N 0.72 0.00 -0.63 4.80 1.79 -1.78 -3.34 116.57 118.13 1dca h LYS 133 Ca 0.30 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1dca h LYS 133 Cb 0.27 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1dca h LYS 133 CO -0.10 0.73 0.38 0.00 -1.08 0.00 0.00 179.45 179.39 1dca h ALA 134 N 1.10 0.81 0.00 3.86 0.00 -0.67 -2.59 119.26 121.76 1dca h ALA 134 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1dca h ALA 134 Cb 1.78 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1dca h ALA 134 CO 0.10 0.28 0.00 1.33 0.00 0.00 0.00 179.25 180.96 1dca n VAL 135 N -4.60 1.00 1.11 0.00 0.24 -0.82 -1.58 118.33 113.69 1dca n VAL 135 Ca 0.05 0.25 0.13 0.00 -2.04 0.00 0.00 64.34 62.72 1dca n VAL 135 Cb 0.05 -1.11 0.27 0.00 -1.47 0.00 0.00 33.84 31.58 1dca n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dca n GLN 136 N -1.34 2.09 -5.03 7.34 6.02 -0.97 -4.69 117.38 120.79 1dca n GLN 136 Ca 0.03 -1.59 -0.31 0.00 -0.01 0.00 0.00 57.00 55.13 1dca n GLN 136 Cb 0.07 -1.47 -0.15 0.00 1.02 0.00 0.00 30.24 29.72 1dca n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1dca s GLN 137 N -1.93 2.02 0.54 -1.09 -1.52 -0.61 -5.03 119.66 112.03 1dca s GLN 137 Ca 0.33 -0.99 0.21 0.00 -1.95 0.00 0.00 55.36 52.96 1dca s GLN 137 Cb 0.20 -2.07 1.44 0.00 -0.22 0.00 0.00 33.01 32.37 1dca s GLN 137 CO 0.31 0.54 2.16 -1.00 -0.25 0.00 0.00 175.29 177.06 1dca h PRO 138 N 5.08 0.00 -0.15 2.91 0.13 -1.85 -1.95 132.00 136.16 1dca h PRO 138 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 1dca h PRO 138 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1dca h PRO 138 CO 0.46 0.03 -0.15 -0.40 -0.23 0.00 0.00 178.00 177.71 1dca n ASP 139 N -4.23 2.51 -0.10 1.44 5.75 -1.26 -4.15 116.55 116.51 1dca n ASP 139 Ca -0.03 -3.49 -0.10 0.00 -0.01 0.00 0.00 54.79 51.16 1dca n ASP 139 Cb 0.11 -0.54 -0.03 0.00 -1.03 0.00 0.00 41.12 39.64 1dca n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1dca h GLY 140 N 0.89 0.51 -3.13 6.12 0.00 -1.24 -3.43 103.07 102.79 1dca h GLY 140 Ca 0.07 -0.30 -0.44 0.00 0.00 0.00 0.00 47.33 46.66 1dca h GLY 140 CO 0.16 0.28 -0.75 1.08 0.00 0.00 0.00 176.54 177.31 1dca s LEU 141 N -9.74 2.47 -0.13 3.11 1.43 0.49 -1.17 118.68 115.16 1dca s LEU 141 Ca -0.13 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.05 1dca s LEU 141 Cb 0.09 -0.62 0.03 0.00 0.03 0.00 0.00 46.19 45.72 1dca s LEU 141 CO 0.74 -0.15 -0.03 0.00 0.23 0.00 0.00 176.35 177.13 1dca s ALA 142 N -2.52 1.16 -0.14 4.21 0.00 -0.02 -0.90 121.76 123.56 1dca s ALA 142 Ca 0.15 -0.53 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1dca s ALA 142 Cb -0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1dca s ALA 142 CO 0.05 -0.62 -0.08 0.08 0.00 0.00 0.00 175.76 175.18 1dca s VAL 143 N 1.78 3.46 -0.24 0.00 1.01 -1.03 -1.32 120.40 124.06 1dca s VAL 143 Ca 0.03 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1dca s VAL 143 Cb -0.14 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1dca s VAL 143 CO -0.07 0.51 0.27 -0.22 0.00 0.00 0.00 175.10 175.59 1dca s LEU 144 N 0.36 4.10 -0.18 3.92 0.20 -0.18 -1.54 118.68 125.36 1dca s LEU 144 Ca -0.08 0.25 -0.05 0.00 0.69 0.00 0.00 54.13 54.94 1dca s LEU 144 Cb -0.15 -2.28 -0.03 0.00 -0.43 0.00 0.00 46.19 43.30 1dca s LEU 144 CO 0.04 -0.03 -0.00 -0.83 -0.29 0.00 0.00 176.35 175.23 1dca s GLY 145 N 1.24 1.74 -0.09 7.98 0.00 0.15 -1.06 107.32 117.29 1dca s GLY 145 Ca 0.12 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.95 1dca s GLY 145 CO 0.07 0.12 -0.11 -0.42 0.00 0.00 0.00 173.10 172.76 1dca s ILE 146 N 0.73 1.15 0.50 0.90 1.01 -0.09 -1.14 121.20 124.26 1dca s ILE 146 Ca -0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 60.65 60.03 1dca s ILE 146 Cb -0.14 -1.09 -0.09 0.00 0.01 0.00 0.00 42.46 41.16 1dca s ILE 146 CO 0.02 0.37 0.98 -0.36 0.00 0.00 0.00 174.94 175.95 1dca s PHE 147 N 1.02 3.41 -0.11 3.97 0.08 -1.26 0.46 117.98 125.55 1dca s PHE 147 Ca -0.08 1.50 0.03 0.00 0.12 0.00 0.00 56.93 58.50 1dca s PHE 147 Cb -0.15 -2.81 0.01 0.00 -0.57 0.00 0.00 43.02 39.50 1dca s PHE 147 CO -0.01 -0.32 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.08 1dca s LEU 148 N -3.87 1.97 0.20 -0.37 1.02 -0.44 -1.66 118.68 115.54 1dca s LEU 148 Ca 0.60 -0.52 0.11 0.00 0.02 0.00 0.00 54.13 54.34 1dca s LEU 148 Cb -0.10 -1.29 -0.04 0.00 0.02 0.00 0.00 46.19 44.78 1dca s LEU 148 CO 0.27 0.09 -0.20 -1.59 0.02 0.00 0.00 176.35 174.95 1dca s LYS 149 N 0.64 1.68 -0.21 1.70 -2.85 -0.67 -1.14 119.74 118.88 1dca s LYS 149 Ca -0.13 -1.49 -0.20 0.00 -1.00 0.00 0.00 55.97 53.15 1dca s LYS 149 Cb -0.16 -1.92 -0.02 0.00 -2.06 0.00 0.00 37.83 33.66 1dca s LYS 149 CO 0.03 0.40 0.62 0.08 0.10 0.00 0.00 175.35 176.58 1dca s VAL 150 N -1.77 5.02 0.00 1.79 1.01 -1.26 -1.11 120.40 124.08 1dca s VAL 150 Ca 0.23 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1dca s VAL 150 Cb -0.08 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1dca s VAL 150 CO 0.12 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1dca n GLY 151 N 3.87 1.38 3.82 4.51 0.00 0.10 -4.87 105.19 114.00 1dca n GLY 151 Ca -0.02 0.37 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 1dca n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dca s SER 152 N 2.00 6.98 0.89 1.61 0.01 -1.26 -3.81 113.70 120.12 1dca s SER 152 Ca 0.00 1.60 -0.11 0.00 1.31 0.00 0.00 55.95 58.75 1dca s SER 152 Cb 0.00 -2.50 0.13 0.00 0.21 0.00 0.00 66.02 63.86 1dca s SER 152 CO 0.00 -0.24 1.16 0.00 0.41 0.00 0.00 173.24 174.57 1dca s ALA 153 N -1.99 1.56 -0.35 1.44 0.00 -1.26 -2.21 121.76 118.95 1dca s ALA 153 Ca 0.57 0.64 0.01 0.00 0.00 0.00 0.00 51.96 53.18 1dca s ALA 153 Cb -0.11 -3.46 0.09 0.00 0.00 0.00 0.00 23.12 19.64 1dca s ALA 153 CO 0.16 -2.65 0.08 0.21 0.00 0.00 0.00 175.76 173.56 1dca s LYS 154 N -4.55 1.87 0.25 0.00 2.47 -1.25 -4.76 119.74 113.77 1dca s LYS 154 Ca 0.68 -1.71 -0.06 0.00 -1.56 0.00 0.00 55.97 53.32 1dca s LYS 154 Cb -0.24 -3.29 0.46 0.00 -1.46 0.00 0.00 37.83 33.30 1dca s LYS 154 CO 0.56 -0.90 1.66 -1.00 0.16 0.00 0.00 175.35 175.83 1dca h PRO 155 N 7.83 0.17 0.00 4.03 0.13 -1.93 -0.74 132.00 141.49 1dca h PRO 155 Ca -0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1dca h PRO 155 Cb 1.04 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1dca h PRO 155 CO 0.57 0.11 0.00 0.78 -0.23 0.00 0.00 178.00 179.23 1dca h GLY 156 N 0.17 0.00 1.27 1.56 0.00 -1.95 -2.72 103.07 101.40 1dca h GLY 156 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1dca h GLY 156 CO -0.59 0.00 -0.79 -2.00 0.00 0.00 0.00 176.54 173.16 1dca h LEU 157 N 0.00 0.00 -1.17 3.11 5.85 -1.37 -3.40 115.31 118.33 1dca h LEU 157 Ca 0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1dca h LEU 157 Cb 0.19 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1dca h LEU 157 CO 0.00 0.08 0.57 -0.61 -0.34 0.00 0.00 178.44 178.14 1dca h GLN 158 N 0.00 1.00 -0.85 1.25 5.75 -1.47 -2.09 115.11 118.70 1dca h GLN 158 Ca -0.02 -0.06 0.13 0.00 -0.15 0.00 0.00 58.65 58.55 1dca h GLN 158 Cb 1.07 -0.23 -0.06 0.00 1.07 0.00 0.00 27.48 29.33 1dca h GLN 158 CO 0.01 0.66 0.55 0.87 -2.65 0.00 0.00 178.83 178.27 1dca h LYS 159 N 1.03 0.66 -0.00 1.69 1.57 -1.79 -1.54 116.57 118.20 1dca h LYS 159 Ca 0.36 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1dca h LYS 159 Cb 0.12 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1dca h LYS 159 CO -0.12 0.44 -0.01 0.28 -0.57 0.00 0.00 179.45 179.47 1dca h VAL 160 N 0.68 1.43 -0.22 0.50 2.07 -1.68 -3.27 116.25 115.77 1dca h VAL 160 Ca 0.42 -1.27 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1dca h VAL 160 Cb 0.64 2.28 -0.06 0.00 -1.52 0.00 0.00 31.29 32.64 1dca h VAL 160 CO -0.18 0.33 -0.17 0.58 0.02 0.00 0.00 177.57 178.15 1dca h VAL 161 N -0.52 0.52 0.00 2.57 2.07 -1.19 -2.56 116.25 117.14 1dca h VAL 161 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1dca h VAL 161 Cb 0.55 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1dca h VAL 161 CO 0.00 0.00 -0.10 0.44 0.02 0.00 0.00 177.57 177.94 1dca h ASP 162 N -0.18 0.00 1.21 0.57 3.32 -1.40 -2.83 116.42 117.10 1dca h ASP 162 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1dca h ASP 162 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1dca h ASP 162 CO -0.32 0.10 -0.34 1.62 -1.72 0.00 0.00 179.24 178.57 1dca h VAL 163 N 0.00 0.00 -0.96 -1.35 3.04 -1.51 -3.37 116.25 112.10 1dca h VAL 163 Ca -0.00 -0.55 0.07 0.00 -1.01 0.00 0.00 66.70 65.21 1dca h VAL 163 Cb 0.20 1.33 -0.07 0.00 -2.01 0.00 0.00 31.29 30.74 1dca h VAL 163 CO 0.01 0.00 0.61 -0.07 -1.01 0.00 0.00 177.57 177.11 1dca h LEU 164 N 0.00 0.96 -0.86 3.16 3.38 -1.39 -2.13 115.31 118.44 1dca h LEU 164 Ca 0.00 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.20 1dca h LEU 164 Cb 0.78 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.19 1dca h LEU 164 CO 0.00 0.60 0.05 0.44 0.09 0.00 0.00 178.44 179.61 1dca h ASP 165 N 1.08 -0.34 0.38 -0.43 3.32 -1.78 -1.24 116.42 117.41 1dca h ASP 165 Ca 0.42 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.70 1dca h ASP 165 Cb 0.22 0.38 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1dca h ASP 165 CO -0.19 -0.23 0.00 0.28 -1.72 0.00 0.00 179.24 177.38 1dca h SER 166 N 0.09 0.00 -0.49 6.45 0.02 -1.68 -3.26 113.55 114.68 1dca h SER 166 Ca 0.50 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 61.12 1dca h SER 166 Cb 0.94 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.09 1dca h SER 166 CO -0.75 0.00 -1.01 2.30 -1.14 0.00 0.00 176.83 176.22 1dca n ILE 167 N -2.38 1.60 -0.23 3.27 -5.35 -0.48 -4.66 119.36 111.12 1dca n ILE 167 Ca 0.00 -3.21 0.02 0.00 -0.27 0.00 0.00 62.75 59.29 1dca n ILE 167 Cb 0.14 0.54 0.14 0.00 -1.74 0.00 0.00 39.64 38.72 1dca n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1dca h LYS 168 N 2.37 0.41 -6.17 6.28 3.64 -1.57 -3.42 116.57 118.11 1dca h LYS 168 Ca 0.01 -0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 58.83 1dca h LYS 168 Cb 1.37 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 33.03 1dca h LYS 168 CO 0.34 0.27 -0.57 0.95 -2.27 0.00 0.00 179.45 178.17 1dca s THR 169 N -6.06 3.55 0.19 1.00 -4.23 -1.26 -0.90 115.64 107.92 1dca s THR 169 Ca -0.13 -1.70 -0.32 0.00 -1.18 0.00 0.00 61.69 58.37 1dca s THR 169 Cb 0.19 -3.03 -0.12 0.00 1.34 0.00 0.00 72.50 70.88 1dca s THR 169 CO 0.75 -0.30 1.76 1.17 -0.54 0.00 0.00 174.62 177.46 1dca n LYS 170 N -1.07 2.79 0.00 3.99 4.81 -0.52 -2.16 118.16 126.01 1dca n LYS 170 Ca -0.05 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 1dca n LYS 170 Cb 0.59 -2.87 0.00 0.00 0.02 0.00 0.00 35.03 32.77 1dca n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dca n GLY 171 N 4.04 1.94 3.81 3.14 0.00 0.14 -4.40 105.19 113.86 1dca n GLY 171 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1dca n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dca s LYS 172 N -0.95 4.18 0.02 1.61 -0.14 -0.92 -4.85 119.74 118.69 1dca s LYS 172 Ca 0.00 1.19 -0.09 0.00 -1.36 0.00 0.00 55.97 55.71 1dca s LYS 172 Cb 0.00 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 1dca s LYS 172 CO 0.00 -0.08 0.17 -1.54 -0.76 0.00 0.00 175.35 173.14 1dca s SER 173 N -2.09 0.03 -0.00 2.83 1.04 -1.26 -0.22 113.70 114.02 1dca s SER 173 Ca 0.62 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.77 1dca s SER 173 Cb -0.11 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1dca s SER 173 CO 0.15 -0.46 0.01 0.00 0.98 0.00 0.00 173.24 173.93 1dca s ALA 174 N -1.93 -0.03 0.32 5.32 0.00 0.91 -4.94 121.76 121.41 1dca s ALA 174 Ca -0.10 -0.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.57 1dca s ALA 174 Cb -0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 23.12 22.94 1dca s ALA 174 CO -0.01 -0.02 1.41 -0.25 0.00 0.00 0.00 175.76 176.89 1dca n ASP 175 N 2.97 3.17 -3.00 0.00 8.00 -1.26 -0.98 116.55 125.45 1dca n ASP 175 Ca -0.13 1.19 -0.17 0.00 0.71 0.00 0.00 54.79 56.39 1dca n ASP 175 Cb 0.60 -1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.16 1dca n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1dca n PHE 176 N 0.99 -1.75 -3.09 1.24 7.35 -0.32 -4.75 117.46 117.12 1dca n PHE 176 Ca 0.06 -2.72 -0.21 0.00 -0.76 0.00 0.00 57.45 53.81 1dca n PHE 176 Cb 0.36 0.53 0.01 0.00 0.35 0.00 0.00 39.48 40.73 1dca n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1dca s THR 177 N -0.28 3.81 -1.49 -2.13 -4.23 -1.26 -3.15 115.64 106.90 1dca s THR 177 Ca 0.34 -0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 60.03 1dca s THR 177 Cb 0.19 -3.37 0.07 0.00 1.34 0.00 0.00 72.50 70.72 1dca s THR 177 CO -0.17 -0.22 0.98 0.59 -0.54 0.00 0.00 174.62 175.26 1dca n ASN 178 N -1.97 -4.61 -4.74 3.99 4.13 -1.26 -4.95 115.26 105.85 1dca n ASN 178 Ca 0.02 -0.75 -0.36 0.00 1.68 0.00 0.00 54.58 55.17 1dca n ASN 178 Cb 0.58 -4.05 -0.08 0.00 -1.54 0.00 0.00 39.78 34.70 1dca n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1dca s PHE 179 N -3.34 3.44 -0.39 3.10 5.36 -1.26 -5.03 117.98 119.86 1dca s PHE 179 Ca 0.58 0.44 -0.09 0.00 -0.96 0.00 0.00 56.93 56.91 1dca s PHE 179 Cb -0.29 -2.22 0.05 0.00 -0.34 0.00 0.00 43.02 40.22 1dca s PHE 179 CO 0.82 0.29 0.21 0.34 -1.46 0.00 0.00 175.22 175.41 1dca s ASP 180 N 0.34 5.60 0.28 6.13 -1.08 -1.26 -4.44 116.67 122.23 1dca s ASP 180 Ca 0.12 -1.26 0.22 0.00 -0.52 0.00 0.00 52.55 51.10 1dca s ASP 180 Cb -0.12 -1.97 1.06 0.00 -1.46 0.00 0.00 42.92 40.43 1dca s ASP 180 CO 0.01 -0.44 1.66 -0.81 0.52 0.00 0.00 175.17 176.11 1dca n PRO 181 N 4.92 0.16 0.27 4.34 -0.04 -1.26 -2.36 135.00 141.02 1dca n PRO 181 Ca -0.11 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 1dca n PRO 181 Cb 0.44 -1.91 0.74 0.00 -0.04 0.00 0.00 33.50 32.74 1dca n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dca h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -1.90 114.38 114.17 1dca h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dca h ARG 182 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1dca h ARG 182 CO 0.00 0.10 0.00 0.41 -1.07 0.00 0.00 179.97 179.41 1dca n GLY 183 N -0.90 -0.73 0.00 0.04 0.00 -0.99 -2.89 105.19 99.71 1dca n GLY 183 Ca -0.02 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.97 1dca n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dca n LEU 184 N -1.12 0.64 -4.78 0.99 4.77 -0.71 -4.28 117.00 112.49 1dca n LEU 184 Ca 0.12 -0.41 -0.37 0.00 -0.03 0.00 0.00 56.01 55.32 1dca n LEU 184 Cb 0.10 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1dca n LEU 184 CO 0.12 0.16 0.59 -0.76 -1.33 0.00 0.00 177.39 176.18 1dca s LEU 185 N -3.03 4.38 0.99 2.23 1.43 -1.14 -4.91 118.68 118.62 1dca s LEU 185 Ca 0.04 1.75 -0.15 0.00 -1.03 0.00 0.00 54.13 54.74 1dca s LEU 185 Cb 0.12 -3.85 0.18 0.00 0.03 0.00 0.00 46.19 42.67 1dca s LEU 185 CO 0.68 -0.01 1.17 -2.16 0.23 0.00 0.00 176.35 176.26 1dca s PRO 186 N -1.91 0.51 0.00 1.29 0.04 -1.26 -5.00 135.00 128.67 1dca s PRO 186 Ca 0.47 0.08 -0.22 0.00 0.04 0.00 0.00 61.00 61.37 1dca s PRO 186 Cb -0.19 -1.79 -0.19 0.00 0.04 0.00 0.00 34.50 32.38 1dca s PRO 186 CO 0.24 -2.58 1.21 1.49 0.04 0.00 0.00 177.00 177.40 1dca h GLU 187 N -1.77 0.28 -6.52 4.56 4.81 -1.92 -3.44 114.58 110.58 1dca h GLU 187 Ca -0.48 -0.20 -0.52 0.00 -0.13 0.00 0.00 59.36 58.02 1dca h GLU 187 Cb 1.30 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 1dca h GLU 187 CO 0.51 0.82 -0.06 0.45 -0.73 0.00 0.00 179.01 180.01 1dca s SER 188 N -6.23 6.66 -0.07 1.04 0.15 -1.26 -5.00 113.70 108.99 1dca s SER 188 Ca -0.15 1.01 0.13 0.00 0.70 0.00 0.00 55.95 57.65 1dca s SER 188 Cb 0.03 -2.26 0.41 0.00 -1.71 0.00 0.00 66.02 62.49 1dca s SER 188 CO 0.75 -0.12 1.34 0.18 1.20 0.00 0.00 173.24 176.59 1dca n LEU 189 N -0.25 3.40 -4.77 3.45 4.77 -1.26 -4.75 117.00 117.59 1dca n LEU 189 Ca 0.01 -2.41 -0.40 0.00 -0.03 0.00 0.00 56.01 53.18 1dca n LEU 189 Cb 0.53 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1dca n LEU 189 CO 0.44 0.71 1.04 -1.81 -1.33 0.00 0.00 177.39 176.45 1dca s ASP 190 N -1.34 6.29 0.28 -1.43 1.01 -1.26 -4.76 116.67 115.46 1dca s ASP 190 Ca 0.32 2.84 -0.08 0.00 0.71 0.00 0.00 52.55 56.34 1dca s ASP 190 Cb 0.22 -2.65 -0.00 0.00 1.01 0.00 0.00 42.92 41.49 1dca s ASP 190 CO 0.14 -0.88 0.44 -0.72 0.21 0.00 0.00 175.17 174.35 1dca s TYR 191 N -1.18 0.68 0.17 4.23 1.13 -1.26 -1.82 117.35 119.30 1dca s TYR 191 Ca 0.55 -1.00 0.11 0.00 -1.41 0.00 0.00 57.07 55.33 1dca s TYR 191 Cb -0.42 0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.42 1dca s TYR 191 CO 0.56 -1.01 -0.23 -1.58 -2.51 0.00 0.00 175.55 170.77 1dca s TRP 192 N -3.67 2.35 -0.09 -3.49 0.51 -0.34 -1.33 118.94 112.87 1dca s TRP 192 Ca 0.27 -0.35 -0.18 0.00 -2.12 0.00 0.00 56.10 53.72 1dca s TRP 192 Cb 0.00 -1.20 0.04 0.00 -0.81 0.00 0.00 33.47 31.50 1dca s TRP 192 CO 0.13 0.44 0.44 -0.08 -0.51 0.00 0.00 176.95 177.37 1dca s THR 193 N -1.43 0.02 -0.00 2.01 -1.32 -0.08 -0.88 115.64 113.96 1dca s THR 193 Ca 0.19 -0.17 -0.28 0.00 -1.21 0.00 0.00 61.69 60.21 1dca s THR 193 Cb -0.09 -0.68 0.09 0.00 -1.51 0.00 0.00 72.50 70.31 1dca s THR 193 CO 0.09 -0.10 0.77 -0.72 -2.21 0.00 0.00 174.62 172.46 1dca s TYR 194 N -0.55 -0.49 -0.01 9.09 1.13 -0.94 -1.90 117.35 123.68 1dca s TYR 194 Ca -0.07 0.57 -0.30 0.00 -1.41 0.00 0.00 57.07 55.87 1dca s TYR 194 Cb -0.03 0.49 -0.03 0.00 -1.10 0.00 0.00 41.96 41.28 1dca s TYR 194 CO 0.03 -0.61 1.07 -1.25 -2.51 0.00 0.00 175.55 172.29 1dca s PRO 195 N -2.40 4.48 0.00 -3.49 0.04 -1.26 -1.00 135.00 131.37 1dca s PRO 195 Ca -0.02 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1dca s PRO 195 Cb -0.01 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1dca s PRO 195 CO -0.03 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1dca n GLY 196 N 3.07 4.42 3.58 0.56 0.00 0.35 -4.85 105.19 112.32 1dca n GLY 196 Ca 0.08 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 1dca n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dca s SER 197 N 1.43 3.17 0.82 1.61 1.04 -1.10 -2.14 113.70 118.53 1dca s SER 197 Ca 0.00 -1.72 -0.11 0.00 0.48 0.00 0.00 55.95 54.60 1dca s SER 197 Cb 0.00 0.60 0.09 0.00 0.10 0.00 0.00 66.02 66.81 1dca s SER 197 CO 0.00 -0.96 1.14 -0.76 0.98 0.00 0.00 173.24 173.63 1dca s LEU 198 N -3.69 3.02 0.02 2.42 1.43 -0.21 -4.59 118.68 117.08 1dca s LEU 198 Ca 0.18 2.09 0.26 0.00 -1.03 0.00 0.00 54.13 55.63 1dca s LEU 198 Cb 0.01 -4.56 0.67 0.00 0.03 0.00 0.00 46.19 42.35 1dca s LEU 198 CO 0.12 -2.52 1.54 0.00 0.23 0.00 0.00 176.35 175.71 1dca s THR 200 N -3.02 0.13 0.43 0.00 -4.23 -1.26 -4.78 115.64 102.91 1dca s THR 200 Ca 0.11 -1.74 -0.20 0.00 -1.18 0.00 0.00 61.69 58.68 1dca s THR 200 Cb 0.17 -1.80 -0.15 0.00 1.34 0.00 0.00 72.50 72.06 1dca s THR 200 CO 0.66 -0.61 0.01 -2.65 -0.54 0.00 0.00 174.62 171.50 1dca n PRO 201 N -0.05 0.00 0.00 3.99 -0.02 -1.26 -1.52 135.00 136.14 1dca n PRO 201 Ca -0.09 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.41 1dca n PRO 201 Cb 0.63 -0.99 0.11 0.00 -0.02 0.00 0.00 33.50 33.23 1dca n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1dca n PRO 202 N 1.38 0.17 -2.21 0.52 -0.04 -1.26 -4.98 135.00 128.57 1dca n PRO 202 Ca 0.10 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 1dca n PRO 202 Cb 0.42 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1dca n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1dca n LEU 203 N -0.84 -1.37 -4.73 1.53 4.77 -0.57 -4.88 117.00 110.91 1dca n LEU 203 Ca 0.03 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.76 1dca n LEU 203 Cb 0.01 -2.40 -0.01 0.00 -2.33 0.00 0.00 43.42 38.70 1dca n LEU 203 CO 0.02 -0.30 1.03 0.18 -1.33 0.00 0.00 177.39 176.99 1dca n LEU 204 N -2.69 4.00 -3.81 2.23 4.77 -1.26 -4.37 117.00 115.86 1dca n LEU 204 Ca -0.18 1.20 -0.42 0.00 -0.03 0.00 0.00 56.01 56.58 1dca n LEU 204 Cb 0.61 -1.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.17 1dca n LEU 204 CO 0.22 -0.20 1.57 -0.62 -1.33 0.00 0.00 177.39 177.04 1dca n GLU 205 N 0.89 4.54 -0.11 3.23 1.02 -1.26 -1.04 120.64 127.91 1dca n GLU 205 Ca 0.05 -4.20 0.05 0.00 -0.02 0.00 0.00 57.16 53.04 1dca n GLU 205 Cb 0.36 -2.61 0.06 0.00 -0.02 0.00 0.00 31.44 29.24 1dca n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dca s VAL 207 N -1.62 2.91 -0.40 0.00 1.01 -0.91 -0.38 120.40 121.02 1dca s VAL 207 Ca 0.15 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 1dca s VAL 207 Cb 0.13 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1dca s VAL 207 CO 0.01 0.55 0.35 -0.89 0.00 0.00 0.00 175.10 175.12 1dca s THR 208 N 0.08 5.19 -0.00 3.92 2.01 -0.07 0.13 115.64 126.89 1dca s THR 208 Ca -0.06 -0.43 -0.20 0.00 0.31 0.00 0.00 61.69 61.31 1dca s THR 208 Cb -0.15 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 1dca s THR 208 CO 0.05 -0.30 0.58 0.26 -0.69 0.00 0.00 174.62 174.52 1dca s TRP 209 N 1.89 3.69 -0.27 4.92 0.52 -0.17 -2.48 118.94 127.04 1dca s TRP 209 Ca 0.08 1.19 -0.01 0.00 0.02 0.00 0.00 56.10 57.39 1dca s TRP 209 Cb -0.18 -2.59 0.08 0.00 -1.15 0.00 0.00 33.47 29.63 1dca s TRP 209 CO 0.12 0.37 0.05 0.42 0.02 0.00 0.00 176.95 177.92 1dca s ILE 210 N -0.25 1.04 -0.29 2.03 1.01 -0.59 -2.21 121.20 121.95 1dca s ILE 210 Ca 0.30 -1.25 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 1dca s ILE 210 Cb -0.18 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1dca s ILE 210 CO 0.17 -0.45 0.10 -0.69 0.00 0.00 0.00 174.94 174.07 1dca s VAL 211 N 1.57 4.25 0.07 2.92 1.01 -0.06 0.34 120.40 130.50 1dca s VAL 211 Ca 0.04 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 1dca s VAL 211 Cb -0.18 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 1dca s VAL 211 CO -0.16 0.16 1.38 -0.76 0.00 0.00 0.00 175.10 175.71 1dca s LEU 212 N 1.57 4.35 0.25 3.92 1.43 -0.29 -1.20 118.68 128.71 1dca s LEU 212 Ca 0.04 2.22 -0.06 0.00 -1.03 0.00 0.00 54.13 55.30 1dca s LEU 212 Cb -0.16 -3.58 0.28 0.00 0.03 0.00 0.00 46.19 42.76 1dca s LEU 212 CO 0.04 -0.66 1.93 0.50 0.23 0.00 0.00 176.35 178.39 1dca h LYS 213 N 7.20 1.31 -5.43 1.70 3.64 -1.70 -3.42 116.57 119.88 1dca h LYS 213 Ca -0.41 -0.08 -0.61 0.00 -1.27 0.00 0.00 60.65 58.29 1dca h LYS 213 Cb 1.20 -0.29 -0.12 0.00 -0.41 0.00 0.00 32.23 32.61 1dca h LYS 213 CO 0.87 0.86 -0.09 -2.00 -2.27 0.00 0.00 179.45 176.83 1dca s GLU 214 N -6.10 4.14 0.47 1.90 2.12 -1.26 -5.04 118.70 114.93 1dca s GLU 214 Ca -0.13 0.30 -0.15 0.00 0.36 0.00 0.00 54.97 55.36 1dca s GLU 214 Cb 0.18 -3.59 -0.07 0.00 0.26 0.00 0.00 34.13 30.91 1dca s GLU 214 CO 0.82 -0.19 0.91 -1.25 -0.54 0.00 0.00 175.26 175.01 1dca s PRO 215 N 1.77 3.90 0.15 4.30 0.04 -1.26 -4.71 135.00 139.18 1dca s PRO 215 Ca 0.21 0.79 0.01 0.00 0.04 0.00 0.00 61.00 62.05 1dca s PRO 215 Cb -0.15 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1dca s PRO 215 CO 0.09 -0.17 0.30 0.96 0.04 0.00 0.00 177.00 178.22 1dca s ILE 216 N -2.51 5.30 0.08 0.56 -4.36 -0.66 -4.92 121.20 114.69 1dca s ILE 216 Ca 0.56 -0.54 0.03 0.00 -0.26 0.00 0.00 60.65 60.44 1dca s ILE 216 Cb -0.10 -3.72 -0.04 0.00 1.25 0.00 0.00 42.46 39.85 1dca s ILE 216 CO 0.30 -0.07 0.11 -0.94 0.24 0.00 0.00 174.94 174.58 1dca s SER 217 N -3.07 5.68 0.03 4.36 1.04 -1.26 -1.67 113.70 118.81 1dca s SER 217 Ca 0.36 0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.81 1dca s SER 217 Cb -0.11 -1.57 -0.02 0.00 0.10 0.00 0.00 66.02 64.41 1dca s SER 217 CO 0.28 0.16 -0.01 0.68 0.98 0.00 0.00 173.24 175.33 1dca s VAL 218 N -1.44 0.14 0.65 5.02 -7.23 -0.27 -3.88 120.40 113.41 1dca s VAL 218 Ca 0.30 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 59.20 1dca s VAL 218 Cb -0.12 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.14 1dca s VAL 218 CO 0.23 -0.64 1.06 -0.94 -0.31 0.00 0.00 175.10 174.50 1dca s SER 219 N -1.91 5.91 0.34 4.85 1.04 -1.19 0.01 113.70 122.76 1dca s SER 219 Ca -0.09 1.31 0.02 0.00 0.48 0.00 0.00 55.95 57.67 1dca s SER 219 Cb -0.04 -2.26 0.61 0.00 0.10 0.00 0.00 66.02 64.43 1dca s SER 219 CO -0.04 -1.06 2.00 -1.28 0.98 0.00 0.00 173.24 173.84 1dca h SER 220 N -0.46 0.76 1.52 7.02 0.87 -1.94 -1.93 113.55 119.39 1dca h SER 220 Ca -0.44 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.08 1dca h SER 220 Cb 1.21 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1dca h SER 220 CO 0.63 0.55 -0.10 1.05 -0.53 0.00 0.00 176.83 178.42 1dca h GLU 221 N 0.89 0.00 -0.10 2.24 9.09 -1.95 -1.16 114.58 123.60 1dca h GLU 221 Ca 0.25 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.61 1dca h GLU 221 Cb -0.08 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.02 1dca h GLU 221 CO -0.06 0.10 -0.11 1.96 0.05 0.00 0.00 179.01 180.95 1dca h GLN 222 N 0.00 0.25 -0.32 1.06 4.20 -1.73 -2.97 115.11 115.60 1dca h GLN 222 Ca -0.00 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.43 1dca h GLN 222 Cb 0.88 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1dca h GLN 222 CO 0.01 0.68 -0.37 -0.24 -0.67 0.00 0.00 178.83 178.25 1dca h VAL 223 N -0.17 1.29 -0.80 -0.54 3.04 -1.49 -2.91 116.25 114.66 1dca h VAL 223 Ca 0.01 -1.55 0.15 0.00 -1.01 0.00 0.00 66.70 64.30 1dca h VAL 223 Cb 0.64 1.53 -0.10 0.00 -2.01 0.00 0.00 31.29 31.36 1dca h VAL 223 CO 0.03 0.50 0.36 -0.07 -1.01 0.00 0.00 177.57 177.38 1dca h LEU 224 N 0.59 0.39 -2.04 3.16 3.38 -1.23 0.21 115.31 119.77 1dca h LEU 224 Ca 0.04 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1dca h LEU 224 Cb 0.96 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1dca h LEU 224 CO 0.09 0.15 0.13 0.11 0.09 0.00 0.00 178.44 179.01 1dca h LYS 225 N 0.52 0.00 -0.12 1.13 1.57 -1.34 -1.91 116.57 116.42 1dca h LYS 225 Ca 0.44 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 1dca h LYS 225 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1dca h LYS 225 CO -0.39 0.00 0.04 0.74 -0.57 0.00 0.00 179.45 179.27 1dca h PHE 226 N 0.00 0.18 0.00 -1.35 -1.00 -0.59 -3.10 116.94 111.09 1dca h PHE 226 Ca 0.09 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1dca h PHE 226 Cb 0.35 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1dca h PHE 226 CO 0.00 0.30 0.00 0.54 -1.61 0.00 0.00 178.31 177.54 1dca n ARG 227 N -4.89 0.26 0.00 1.51 1.74 -0.73 -2.16 116.66 112.40 1dca n ARG 227 Ca -0.05 0.11 0.13 0.00 -0.77 0.00 0.00 57.85 57.26 1dca n ARG 227 Cb 0.13 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.46 1dca n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1dca n LYS 228 N -1.18 1.32 -1.88 5.56 5.02 -1.16 -4.56 118.16 121.28 1dca n LYS 228 Ca 0.07 -0.83 -0.31 0.00 -2.02 0.00 0.00 58.31 55.21 1dca n LYS 228 Cb 0.08 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.62 1dca n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dca s LEU 229 N -2.25 3.31 -0.03 -0.35 1.02 -0.92 -4.91 118.68 114.54 1dca s LEU 229 Ca 0.30 1.58 0.07 0.00 0.02 0.00 0.00 54.13 56.10 1dca s LEU 229 Cb 0.20 -4.50 -0.02 0.00 0.02 0.00 0.00 46.19 41.89 1dca s LEU 229 CO 0.43 -1.08 -0.23 0.20 0.02 0.00 0.00 176.35 175.69 1dca s ASN 230 N -3.61 3.31 0.02 2.29 0.02 -0.08 0.14 114.94 117.04 1dca s ASN 230 Ca 0.58 -0.40 -0.12 0.00 -1.02 0.00 0.00 52.86 51.90 1dca s ASN 230 Cb -0.13 -0.48 -0.33 0.00 0.02 0.00 0.00 41.25 40.33 1dca s ASN 230 CO 0.48 0.33 0.97 -0.26 0.02 0.00 0.00 177.10 178.63 1dca h PHE 231 N 5.46 0.82 -4.13 2.20 0.04 -1.34 -3.33 116.94 116.65 1dca h PHE 231 Ca -0.44 -0.60 -0.53 0.00 2.80 0.00 0.00 57.97 59.20 1dca h PHE 231 Cb 1.13 -0.03 0.13 0.00 2.20 0.00 0.00 35.95 39.38 1dca h PHE 231 CO 0.42 1.52 0.44 0.54 -0.60 0.00 0.00 178.31 180.63 1dca s ASN 232 N -7.42 4.79 0.56 2.17 4.22 -1.26 -4.29 114.94 113.71 1dca s ASN 232 Ca -0.09 2.36 -0.08 0.00 -2.14 0.00 0.00 52.86 52.92 1dca s ASN 232 Cb 0.05 -2.59 -0.03 0.00 1.28 0.00 0.00 41.25 39.96 1dca s ASN 232 CO 0.92 -1.86 0.91 -0.83 -2.04 0.00 0.00 177.10 174.19 1dca s GLY 233 N -1.81 1.58 0.09 0.45 0.00 -1.26 -1.44 107.32 104.92 1dca s GLY 233 Ca 0.76 -0.37 -0.31 0.00 0.00 0.00 0.00 44.72 44.81 1dca s GLY 233 CO 0.39 -0.14 1.70 1.85 0.00 0.00 0.00 173.10 176.90 1dca s GLU 234 N -4.96 4.18 0.00 2.90 2.12 -1.26 -2.43 118.70 119.24 1dca s GLU 234 Ca 0.51 2.42 0.00 0.00 0.36 0.00 0.00 54.97 58.26 1dca s GLU 234 Cb -0.11 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.72 1dca s GLU 234 CO 0.49 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 1dca n GLY 235 N 4.05 1.03 3.47 -1.50 0.00 -1.26 -5.09 105.19 105.90 1dca n GLY 235 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1dca n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dca s GLU 236 N -0.75 1.66 0.20 1.61 2.02 -1.02 -5.09 118.70 117.33 1dca s GLU 236 Ca 0.00 -1.85 -0.32 0.00 0.02 0.00 0.00 54.97 52.82 1dca s GLU 236 Cb 0.00 -1.35 -0.15 0.00 0.10 0.00 0.00 34.13 32.73 1dca s GLU 236 CO 0.00 0.06 1.18 -2.30 0.02 0.00 0.00 175.26 174.22 1dca n PRO 237 N -0.67 1.32 -2.60 0.39 -0.02 -1.26 -4.87 135.00 127.28 1dca n PRO 237 Ca -0.05 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.47 1dca n PRO 237 Cb 0.64 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 1dca n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1dca s GLU 238 N -0.53 4.01 -0.29 -0.52 2.12 -1.26 -4.75 118.70 117.48 1dca s GLU 238 Ca 0.70 1.05 0.02 0.00 0.36 0.00 0.00 54.97 57.10 1dca s GLU 238 Cb -0.80 -3.77 0.08 0.00 0.26 0.00 0.00 34.13 29.90 1dca s GLU 238 CO 0.53 -0.98 0.00 -2.00 -0.54 0.00 0.00 175.26 172.27 1dca s GLU 239 N 3.81 1.48 0.26 4.30 2.12 -1.26 -5.08 118.70 124.33 1dca s GLU 239 Ca 0.47 -1.37 -0.31 0.00 0.36 0.00 0.00 54.97 54.12 1dca s GLU 239 Cb -0.12 -2.74 -0.12 0.00 0.26 0.00 0.00 34.13 31.41 1dca s GLU 239 CO 0.18 -0.79 1.66 -0.51 -0.54 0.00 0.00 175.26 175.26 1dca s LEU 240 N 1.22 4.35 -0.83 2.70 1.43 -1.26 -1.04 118.68 125.25 1dca s LEU 240 Ca 0.03 2.93 -0.25 0.00 -1.03 0.00 0.00 54.13 55.81 1dca s LEU 240 Cb -0.19 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.46 1dca s LEU 240 CO -0.10 -0.95 1.30 -0.32 0.23 0.00 0.00 176.35 176.50 1dca s MET 241 N 0.21 3.33 0.10 1.70 -2.45 0.38 -4.71 119.30 117.86 1dca s MET 241 Ca 0.68 -0.65 -0.08 0.00 -1.25 0.00 0.00 55.69 54.39 1dca s MET 241 Cb -0.49 -4.60 -0.01 0.00 1.25 0.00 0.00 34.83 30.98 1dca s MET 241 CO 0.41 -2.12 0.18 0.14 1.05 0.00 0.00 175.02 174.69 1dca s VAL 242 N 5.18 0.13 -1.51 10.11 -7.23 -1.26 -4.52 120.40 121.31 1dca s VAL 242 Ca 0.37 -1.32 -0.06 0.00 -1.81 0.00 0.00 61.98 59.16 1dca s VAL 242 Cb -0.06 -1.50 0.05 0.00 0.56 0.00 0.00 36.38 35.44 1dca s VAL 242 CO 0.05 -0.60 0.55 0.47 -0.31 0.00 0.00 175.10 175.26 1dca n ASP 243 N -0.08 -1.43 -2.69 4.85 8.00 -0.67 -4.83 116.55 119.70 1dca n ASP 243 Ca -0.13 -1.00 -0.30 0.00 0.71 0.00 0.00 54.79 54.07 1dca n ASP 243 Cb 0.62 -2.98 -0.04 0.00 -0.02 0.00 0.00 41.12 38.71 1dca n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1dca n ASN 244 N -2.88 6.81 -4.16 -2.24 6.94 -1.13 -4.91 115.26 113.70 1dca n ASN 244 Ca -0.18 -3.28 -0.20 0.00 -0.02 0.00 0.00 54.58 50.90 1dca n ASN 244 Cb 0.62 -1.23 -0.13 0.00 -2.36 0.00 0.00 39.78 36.68 1dca n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1dca s TRP 245 N -1.99 1.28 -0.02 -2.53 1.48 -1.26 -4.62 118.94 111.27 1dca s TRP 245 Ca 0.57 -0.37 -0.14 0.00 -1.06 0.00 0.00 56.10 55.11 1dca s TRP 245 Cb 0.36 -0.75 -0.05 0.00 -1.16 0.00 0.00 33.47 31.86 1dca s TRP 245 CO -0.23 0.04 0.37 0.50 -4.06 0.00 0.00 176.95 173.58 1dca s ARG 246 N -1.21 3.86 0.78 3.25 3.52 -1.26 -4.99 118.95 122.91 1dca s ARG 246 Ca 0.02 0.33 -0.11 0.00 -0.13 0.00 0.00 55.73 55.85 1dca s ARG 246 Cb -0.08 -3.22 0.06 0.00 -1.56 0.00 0.00 34.95 30.15 1dca s ARG 246 CO 0.01 0.69 1.10 -2.14 -0.81 0.00 0.00 175.30 174.15 1dca s PRO 247 N -1.02 2.16 0.46 5.12 0.02 -1.26 -4.69 135.00 135.79 1dca s PRO 247 Ca 0.22 1.21 -0.24 0.00 0.02 0.00 0.00 61.00 62.22 1dca s PRO 247 Cb -0.16 -1.88 -0.07 0.00 0.02 0.00 0.00 34.50 32.40 1dca s PRO 247 CO 0.12 -1.72 1.31 0.00 -0.33 0.00 0.00 177.00 176.38 1dca s ALA 248 N -2.86 3.09 0.34 -1.55 0.00 -1.26 -4.36 121.76 115.17 1dca s ALA 248 Ca 0.62 1.24 0.08 0.00 0.00 0.00 0.00 51.96 53.90 1dca s ALA 248 Cb -0.18 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 1dca s ALA 248 CO 0.56 -0.99 0.24 -0.65 0.00 0.00 0.00 175.76 174.91 1dca s GLN 249 N -2.52 2.59 0.23 0.00 -1.52 0.59 -4.95 119.66 114.08 1dca s GLN 249 Ca 0.62 -1.39 -0.30 0.00 -1.95 0.00 0.00 55.36 52.35 1dca s GLN 249 Cb -0.38 -2.36 -0.09 0.00 -0.22 0.00 0.00 33.01 29.96 1dca s GLN 249 CO 0.47 0.10 1.29 -2.14 -0.25 0.00 0.00 175.29 174.76 1dca s PRO 250 N -3.94 4.41 0.23 2.91 0.02 -1.26 -4.44 135.00 132.92 1dca s PRO 250 Ca 0.40 2.06 -0.03 0.00 0.02 0.00 0.00 61.00 63.45 1dca s PRO 250 Cb -0.05 -3.17 0.24 0.00 0.02 0.00 0.00 34.50 31.54 1dca s PRO 250 CO 0.25 -0.20 1.66 1.25 -0.33 0.00 0.00 177.00 179.64 1dca h LEU 251 N 4.82 0.75 -2.52 -5.54 5.85 -1.93 -3.44 115.31 113.31 1dca h LEU 251 Ca -0.46 -0.25 -0.44 0.00 0.84 0.00 0.00 57.88 57.57 1dca h LEU 251 Cb 1.22 -0.20 0.05 0.00 0.37 0.00 0.00 40.66 42.09 1dca h LEU 251 CO 0.74 0.93 -0.90 0.29 -0.34 0.00 0.00 178.44 179.16 1dca n LYS 252 N -4.13 -2.63 0.00 1.25 5.02 -1.26 -3.26 118.16 113.15 1dca n LYS 252 Ca 0.01 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1dca n LYS 252 Cb 0.40 -4.55 0.00 0.00 -0.02 0.00 0.00 35.03 30.87 1dca n LYS 252 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1dca n ASN 253 N -2.87 0.00 -3.36 4.39 2.04 -1.26 -5.00 115.26 109.21 1dca n ASN 253 Ca -0.19 0.00 -0.31 0.00 -0.44 0.00 0.00 54.58 53.64 1dca n ASN 253 Cb 0.64 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.90 1dca n ASN 253 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1dca n ARG 254 N 0.00 0.00 -5.05 -3.83 1.74 -1.20 -4.96 116.66 103.35 1dca n ARG 254 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1dca n ARG 254 Cb 0.00 -0.80 -0.16 0.00 -1.02 0.00 0.00 32.46 30.48 1dca n ARG 254 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1dca s GLN 255 N -0.99 2.16 -0.21 5.56 0.74 -1.26 -5.01 119.66 120.64 1dca s GLN 255 Ca 0.42 -0.76 -0.11 0.00 0.05 0.00 0.00 55.36 54.97 1dca s GLN 255 Cb -0.34 -1.85 -0.05 0.00 1.10 0.00 0.00 33.01 31.87 1dca s GLN 255 CO 0.56 0.31 0.17 0.42 -0.55 0.00 0.00 175.29 176.20 1dca s ILE 256 N -0.07 5.37 -0.03 -2.34 1.01 -1.26 -4.73 121.20 119.15 1dca s ILE 256 Ca -0.04 0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.86 1dca s ILE 256 Cb -0.13 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1dca s ILE 256 CO 0.03 0.39 -0.05 -0.54 0.00 0.00 0.00 174.94 174.77 1dca s LYS 257 N 0.70 2.70 0.11 2.79 1.02 -0.80 -0.46 119.74 125.80 1dca s LYS 257 Ca 0.09 -0.61 0.07 0.00 0.02 0.00 0.00 55.97 55.53 1dca s LYS 257 Cb -0.12 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 1dca s LYS 257 CO 0.02 0.64 -0.06 0.00 -0.92 0.00 0.00 175.35 175.02 1dca s ALA 258 N -0.93 3.07 -1.82 5.17 0.00 0.22 -0.91 121.76 126.56 1dca s ALA 258 Ca 0.15 -1.24 0.19 0.00 0.00 0.00 0.00 51.96 51.06 1dca s ALA 258 Cb -0.11 -0.97 0.58 0.00 0.00 0.00 0.00 23.12 22.61 1dca s ALA 258 CO 0.05 0.63 1.48 -1.13 0.00 0.00 0.00 175.76 176.79 1dca n SER 259 N 0.54 3.59 0.00 0.00 3.41 -0.44 -1.36 113.62 119.36 1dca n SER 259 Ca -0.12 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1dca n SER 259 Cb 0.53 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1dca n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10