#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bda n GLY 2 N -0.58 1.38 3.66 0.00 0.00 -1.03 -4.77 105.19 103.85 1bda n GLY 2 Ca -0.05 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1bda n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bda s LEU 3 N -3.15 3.38 -0.19 0.99 1.43 -1.26 -1.77 118.68 118.11 1bda s LEU 3 Ca 0.00 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 1bda s LEU 3 Cb 0.00 -2.04 0.13 0.00 0.03 0.00 0.00 46.19 44.31 1bda s LEU 3 CO 0.00 0.22 1.03 0.00 0.23 0.00 0.00 176.35 177.83 1bda s ARG 4 N -1.94 0.55 -1.18 1.70 1.70 -1.26 -4.88 118.95 113.63 1bda s ARG 4 Ca 0.22 0.21 -0.10 0.00 -0.47 0.00 0.00 55.73 55.60 1bda s ARG 4 Cb -0.11 0.26 0.22 0.00 -0.57 0.00 0.00 34.95 34.75 1bda s ARG 4 CO 0.14 -0.15 1.48 1.04 -1.08 0.00 0.00 175.30 176.73 1bda n GLN 5 N 0.99 3.70 -0.57 3.89 3.00 -1.26 -5.02 117.38 122.12 1bda n GLN 5 Ca -0.10 -4.05 -0.30 0.00 -0.01 0.00 0.00 57.00 52.54 1bda n GLN 5 Cb 0.58 -2.79 0.22 0.00 0.00 0.00 0.00 30.24 28.24 1bda n GLN 5 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1bda n TYR 6 N 3.64 -0.75 -3.68 1.08 9.36 -1.26 -4.36 117.16 121.18 1bda n TYR 6 Ca 0.32 0.04 -0.12 0.00 3.32 0.00 0.00 57.90 61.47 1bda n TYR 6 Cb 0.38 -1.77 -0.09 0.00 -0.63 0.00 0.00 39.34 37.24 1bda n TYR 6 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1bda s SER 7 N -2.38 -0.62 -0.17 2.98 0.01 -1.26 -4.97 113.70 107.29 1bda s SER 7 Ca 0.66 1.13 -0.29 0.00 1.31 0.00 0.00 55.95 58.76 1bda s SER 7 Cb -0.23 1.10 -0.06 0.00 0.21 0.00 0.00 66.02 67.04 1bda s SER 7 CO 0.64 -0.20 2.18 0.00 0.41 0.00 0.00 173.24 176.27 1bda n GLN 8 N 3.25 2.11 -1.96 12.44 3.00 -1.26 -4.90 117.38 130.06 1bda n GLN 8 Ca -0.16 0.62 -0.41 0.00 -0.01 0.00 0.00 57.00 57.04 1bda n GLN 8 Cb 0.56 -3.18 -0.02 0.00 0.00 0.00 0.00 30.24 27.60 1bda n GLN 8 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 1bda s PRO 9 N 6.02 4.24 -0.36 -1.09 0.02 -1.26 -4.99 135.00 137.57 1bda s PRO 9 Ca 0.99 2.37 -0.00 0.00 0.02 0.00 0.00 61.00 64.38 1bda s PRO 9 Cb -0.36 -3.06 0.13 0.00 0.02 0.00 0.00 34.50 31.22 1bda s PRO 9 CO 0.37 -0.41 0.19 -0.65 -0.33 0.00 0.00 177.00 176.17 1bda s GLN 10 N -1.12 0.68 0.00 5.54 -0.21 -1.25 -4.92 119.66 118.38 1bda s GLN 10 Ca 0.56 -1.32 0.00 0.00 0.02 0.00 0.00 55.36 54.62 1bda s GLN 10 Cb -0.43 -1.61 0.00 0.00 1.00 0.00 0.00 33.01 31.97 1bda s GLN 10 CO 0.51 -1.14 0.00 0.34 -2.12 0.00 0.00 175.29 172.88 1bda n PHE 11 N 4.23 0.00 -1.86 0.91 -0.00 -1.26 -4.94 117.46 114.55 1bda n PHE 11 Ca 0.06 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.18 1bda n PHE 11 Cb 0.38 0.00 0.04 0.00 -0.00 0.00 0.00 39.48 39.90 1bda n PHE 11 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1bda s ARG 15 N 0.00 2.87 0.03 -4.13 0.52 -1.26 0.43 118.95 117.41 1bda s ARG 15 Ca 0.00 1.50 -0.03 0.00 -0.52 0.00 0.00 55.73 56.69 1bda s ARG 15 Cb 0.00 -1.95 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 1bda s ARG 15 CO 0.00 -1.21 0.03 0.42 0.02 0.00 0.00 175.30 174.56 1bda s ILE 16 N -2.13 0.13 -0.43 1.52 1.01 -1.19 -4.74 121.20 115.37 1bda s ILE 16 Ca 0.70 -1.09 -0.27 0.00 0.00 0.00 0.00 60.65 59.98 1bda s ILE 16 Cb -0.23 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 1bda s ILE 16 CO 0.38 -0.60 1.92 -0.75 0.00 0.00 0.00 174.94 175.89 1bda s LYS 17 N -2.20 2.94 0.00 2.79 2.20 -1.26 -1.37 119.74 122.84 1bda s LYS 17 Ca -0.09 1.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.73 1bda s LYS 17 Cb -0.04 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 31.96 1bda s LYS 17 CO -0.03 -2.34 0.00 0.41 -0.36 0.00 0.00 175.35 173.03 1bda n GLY 18 N 5.61 1.65 0.00 5.54 0.00 -1.25 -4.71 105.19 112.03 1bda n GLY 18 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1bda n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bda n GLY 19 N -0.04 -0.27 0.00 -0.02 0.00 -0.47 -1.80 105.19 102.58 1bda n GLY 19 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1bda n GLY 19 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bda n LEU 20 N 0.00 0.00 -4.74 0.99 7.94 -0.37 -3.18 117.00 117.63 1bda n LEU 20 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 1bda n LEU 20 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 1bda n LEU 20 CO 0.00 0.00 1.02 0.49 -1.11 0.00 0.00 177.39 177.79 1bda n PHE 21 N -0.08 2.58 -3.76 1.96 3.72 0.17 -0.36 117.46 121.69 1bda n PHE 21 Ca 0.00 0.46 -0.13 0.00 -0.05 0.00 0.00 57.45 57.74 1bda n PHE 21 Cb 0.00 -2.45 -0.11 0.00 -0.94 0.00 0.00 39.48 35.98 1bda n PHE 21 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bda s ALA 22 N -1.18 -0.75 0.23 4.37 0.00 0.15 -3.91 121.76 120.68 1bda s ALA 22 Ca 0.59 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 53.15 1bda s ALA 22 Cb -0.48 -0.52 -0.09 0.00 0.00 0.00 0.00 23.12 22.03 1bda s ALA 22 CO 0.59 -0.15 1.30 0.34 0.00 0.00 0.00 175.76 177.84 1bda s ASP 23 N 0.29 6.89 0.49 0.00 2.15 -1.26 -4.35 116.67 120.87 1bda s ASP 23 Ca -0.01 2.46 0.24 0.00 0.43 0.00 0.00 52.55 55.66 1bda s ASP 23 Cb -0.03 -2.62 1.28 0.00 -0.30 0.00 0.00 42.92 41.25 1bda s ASP 23 CO -0.01 -0.50 1.91 -0.29 -0.17 0.00 0.00 175.17 176.11 1bda h ILE 24 N 3.54 0.68 -0.82 4.11 6.09 -1.87 0.32 117.51 129.55 1bda h ILE 24 Ca -0.46 -0.06 0.19 0.00 -1.37 0.00 0.00 64.86 63.16 1bda h ILE 24 Cb 1.22 0.48 -0.05 0.00 0.47 0.00 0.00 36.82 38.94 1bda h ILE 24 CO 0.74 0.03 0.55 0.00 -3.07 0.00 0.00 178.15 176.41 1bda h ALA 25 N 1.63 2.27 -0.01 0.18 0.00 -1.88 0.17 119.26 121.62 1bda h ALA 25 Ca 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1bda h ALA 25 Cb 1.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1bda h ALA 25 CO -0.07 -0.51 -0.13 0.77 0.00 0.00 0.00 179.25 179.31 1bda h SER 26 N 0.33 0.01 -1.72 0.00 0.02 -0.56 -3.29 113.55 108.33 1bda h SER 26 Ca 0.41 -0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.87 1bda h SER 26 Cb 1.11 -0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.29 1bda h SER 26 CO -0.12 0.14 -1.05 1.41 -1.14 0.00 0.00 176.83 176.07 1bda n HIS 27 N -4.38 -0.60 0.00 3.45 8.25 0.50 -4.78 115.22 117.66 1bda n HIS 27 Ca -0.02 -3.40 0.00 0.00 -0.26 0.00 0.00 57.72 54.03 1bda n HIS 27 Cb 0.20 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1bda n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1bda n PRO 28 N 1.05 0.00 0.00 -0.41 -0.04 -0.63 -0.70 135.00 134.27 1bda n PRO 28 Ca 0.20 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 1bda n PRO 28 Cb 0.59 -1.51 0.08 0.00 -0.04 0.00 0.00 33.50 32.61 1bda n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1bda n TRP 29 N -0.95 0.00 -2.47 0.54 2.14 -1.18 -0.82 117.44 114.70 1bda n TRP 29 Ca 0.00 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.16 1bda n TRP 29 Cb 0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.47 1bda n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1bda s GLN 30 N -1.69 4.58 0.02 -2.67 2.00 0.13 -1.64 119.66 120.39 1bda s GLN 30 Ca 0.23 1.78 0.03 0.00 -2.00 0.00 0.00 55.36 55.40 1bda s GLN 30 Cb 0.17 -3.24 -0.02 0.00 0.80 0.00 0.00 33.01 30.72 1bda s GLN 30 CO 0.26 0.07 -0.09 0.00 -0.50 0.00 0.00 175.29 175.02 1bda s ALA 31 N -0.44 0.77 -0.23 1.58 0.00 0.13 -4.38 121.76 119.19 1bda s ALA 31 Ca 0.49 -0.60 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 1bda s ALA 31 Cb -0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1bda s ALA 31 CO 0.37 0.12 0.04 0.00 0.00 0.00 0.00 175.76 176.29 1bda s ALA 32 N -0.74 3.10 -0.36 0.00 0.00 -0.09 0.18 121.76 123.85 1bda s ALA 32 Ca -0.01 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 1bda s ALA 32 Cb -0.06 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.11 1bda s ALA 32 CO 0.00 -0.37 0.22 0.42 0.00 0.00 0.00 175.76 176.03 1bda s ILE 33 N 1.40 4.88 -0.18 0.00 1.01 0.44 -1.21 121.20 127.53 1bda s ILE 33 Ca 0.05 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 1bda s ILE 33 Cb -0.15 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1bda s ILE 33 CO 0.02 -0.11 0.07 -0.36 0.00 0.00 0.00 174.94 174.56 1bda s PHE 34 N 1.63 3.28 -0.07 3.97 0.08 -0.09 -1.52 117.98 125.27 1bda s PHE 34 Ca 0.04 0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.21 1bda s PHE 34 Cb -0.18 -2.09 -0.03 0.00 -0.57 0.00 0.00 43.02 40.15 1bda s PHE 34 CO 0.08 0.19 -0.01 0.00 -0.10 0.00 0.00 175.22 175.38 1bda s ALA 35 N 0.34 3.25 0.43 5.36 0.00 -0.58 0.09 121.76 130.65 1bda s ALA 35 Ca 0.04 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1bda s ALA 35 Cb -0.12 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1bda s ALA 35 CO -0.00 0.60 0.61 0.21 0.00 0.00 0.00 175.76 177.18 1bda s LYS 36 N -1.01 2.93 -0.21 0.00 2.20 -0.61 -0.59 119.74 122.45 1bda s LYS 36 Ca 0.14 -0.84 -0.13 0.00 -0.36 0.00 0.00 55.97 54.78 1bda s LYS 36 Cb -0.11 -2.66 -0.09 0.00 -1.51 0.00 0.00 37.83 33.46 1bda s LYS 36 CO 0.04 -0.26 -0.31 0.72 -0.36 0.00 0.00 175.35 175.18 1bda n HIS 37 N -1.96 0.00 -0.03 4.03 8.25 -1.17 -4.95 115.22 119.39 1bda n HIS 37 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1bda n HIS 37 Cb 0.58 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 30.96 1bda n HIS 37 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1bda n ARG 37 N -4.16 0.00 -3.78 -0.41 5.12 -1.26 -4.55 116.66 107.61 1bda n ARG 37 Ca -0.37 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.30 1bda n ARG 37 Cb 0.72 -0.05 0.04 0.00 -1.16 0.00 0.00 32.46 32.00 1bda n ARG 37 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1bda n SER 37 N 0.14 -3.57 0.12 0.55 7.64 -1.26 -4.92 113.62 112.33 1bda n SER 37 Ca 0.00 -0.76 0.12 0.00 1.01 0.00 0.00 58.87 59.25 1bda n SER 37 Cb 0.00 -4.14 0.27 0.00 -1.01 0.00 0.00 64.21 59.34 1bda n SER 37 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1bda h PRO 37 N -2.08 0.00 0.00 1.43 0.13 -1.98 -3.49 132.00 126.01 1bda h PRO 37 Ca -0.59 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1bda h PRO 37 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1bda h PRO 37 CO 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1bda n GLY 37 N 1.26 3.25 3.93 1.56 0.00 -1.26 -5.03 105.19 108.91 1bda n GLY 37 Ca 0.04 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 1bda n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bda s GLU 38 N -2.24 0.96 -0.24 1.61 0.41 -1.26 -3.04 118.70 114.90 1bda s GLU 38 Ca 0.00 -0.38 -0.17 0.00 -0.41 0.00 0.00 54.97 54.01 1bda s GLU 38 Cb 0.00 -1.91 0.07 0.00 -1.78 0.00 0.00 34.13 30.51 1bda s GLU 38 CO 0.00 -2.19 0.61 0.50 -0.49 0.00 0.00 175.26 173.69 1bda s ARG 39 N -5.77 0.66 -0.17 1.61 3.52 0.24 -4.91 118.95 114.13 1bda s ARG 39 Ca 0.71 0.98 -0.29 0.00 -0.13 0.00 0.00 55.73 57.00 1bda s ARG 39 Cb -0.05 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.51 1bda s ARG 39 CO 0.52 -0.12 1.63 0.12 -0.81 0.00 0.00 175.30 176.64 1bda s PHE 40 N 0.99 2.06 -0.22 5.12 2.19 -1.26 -1.53 117.98 125.33 1bda s PHE 40 Ca -0.05 0.46 -0.16 0.00 0.33 0.00 0.00 56.93 57.51 1bda s PHE 40 Cb -0.05 -3.94 -0.11 0.00 -1.31 0.00 0.00 43.02 37.61 1bda s PHE 40 CO -0.09 -3.18 -0.23 -0.11 1.83 0.00 0.00 175.22 173.43 1bda n LEU 41 N 8.12 1.92 0.00 6.12 7.94 -0.58 -4.92 117.00 135.60 1bda n LEU 41 Ca 0.19 0.39 -0.01 0.00 -1.11 0.00 0.00 56.01 55.46 1bda n LEU 41 Cb 0.44 -0.83 0.00 0.00 0.53 0.00 0.00 43.42 43.57 1bda n LEU 41 CO 0.64 0.16 0.14 0.00 -1.11 0.00 0.00 177.39 177.22 1bda s GLY 43 N -1.90 1.87 0.01 0.00 0.00 0.15 -0.42 107.32 107.04 1bda s GLY 43 Ca 0.04 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.99 1bda s GLY 43 CO 0.02 -1.73 -0.02 -0.32 0.00 0.00 0.00 173.10 171.05 1bda s GLY 44 N -3.84 0.18 -0.28 0.20 0.00 0.13 -3.67 107.32 100.03 1bda s GLY 44 Ca 0.37 -0.36 -0.08 0.00 0.00 0.00 0.00 44.72 44.65 1bda s GLY 44 CO 0.23 -0.39 0.10 -0.42 0.00 0.00 0.00 173.10 172.61 1bda s ILE 45 N -0.81 4.33 -0.22 0.90 1.01 0.15 0.21 121.20 126.77 1bda s ILE 45 Ca -0.08 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 1bda s ILE 45 Cb -0.06 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.28 1bda s ILE 45 CO -0.00 0.19 1.16 -0.22 0.00 0.00 0.00 174.94 176.07 1bda s LEU 46 N 1.59 4.09 -0.00 2.97 2.96 -0.65 0.13 118.68 129.76 1bda s LEU 46 Ca 0.05 1.45 0.10 0.00 -0.22 0.00 0.00 54.13 55.50 1bda s LEU 46 Cb -0.16 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 1bda s LEU 46 CO 0.04 -0.78 0.40 2.30 -1.32 0.00 0.00 176.35 176.99 1bda n ILE 47 N 5.51 0.00 -3.56 6.68 -5.35 -0.65 -1.59 119.36 120.39 1bda n ILE 47 Ca 0.13 -0.27 -0.06 0.00 -0.27 0.00 0.00 62.75 62.28 1bda n ILE 47 Cb 0.46 0.96 -0.02 0.00 -1.74 0.00 0.00 39.64 39.30 1bda n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1bda s SER 48 N -1.98 -0.22 0.57 7.28 1.04 -1.11 -4.83 113.70 114.45 1bda s SER 48 Ca 0.03 0.02 0.42 0.00 0.48 0.00 0.00 55.95 56.90 1bda s SER 48 Cb 0.07 0.23 1.51 0.00 0.10 0.00 0.00 66.02 67.93 1bda s SER 48 CO 0.40 -0.36 1.56 0.28 0.98 0.00 0.00 173.24 176.09 1bda h SER 49 N 2.02 0.00 0.00 7.02 0.02 -1.95 -1.21 113.55 119.45 1bda h SER 49 Ca -0.14 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 1bda h SER 49 Cb 1.19 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.62 1bda h SER 49 CO 0.26 0.00 -0.56 0.00 -1.14 0.00 0.00 176.83 175.39 1bda s TRP 51 N -1.05 0.06 -0.05 0.00 0.52 -0.46 -0.47 118.94 117.50 1bda s TRP 51 Ca 0.22 0.13 0.05 0.00 0.02 0.00 0.00 56.10 56.51 1bda s TRP 51 Cb 0.22 -0.52 -0.02 0.00 -1.15 0.00 0.00 33.47 32.00 1bda s TRP 51 CO -0.05 -0.31 -0.19 0.96 0.02 0.00 0.00 176.95 177.38 1bda s ILE 52 N 2.18 2.66 0.23 2.03 -4.36 -0.99 -1.64 121.20 121.31 1bda s ILE 52 Ca 0.04 -0.87 -0.10 0.00 -0.26 0.00 0.00 60.65 59.47 1bda s ILE 52 Cb -0.13 -2.01 -0.07 0.00 1.25 0.00 0.00 42.46 41.49 1bda s ILE 52 CO -0.05 0.58 0.55 -0.76 0.24 0.00 0.00 174.94 175.50 1bda s LEU 53 N -0.52 4.16 0.35 0.37 1.43 0.12 -1.56 118.68 123.03 1bda s LEU 53 Ca 0.07 0.93 -0.13 0.00 -1.03 0.00 0.00 54.13 53.97 1bda s LEU 53 Cb -0.11 -3.70 0.03 0.00 0.03 0.00 0.00 46.19 42.44 1bda s LEU 53 CO 0.01 -0.08 0.68 -0.55 0.23 0.00 0.00 176.35 176.64 1bda s SER 54 N -2.36 0.16 0.34 2.29 0.15 -0.50 -0.67 113.70 113.11 1bda s SER 54 Ca 0.48 -1.12 -0.22 0.00 0.70 0.00 0.00 55.95 55.78 1bda s SER 54 Cb -0.11 0.77 -0.10 0.00 -1.71 0.00 0.00 66.02 64.87 1bda s SER 54 CO 0.21 -1.50 0.89 0.00 1.20 0.00 0.00 173.24 174.04 1bda s ALA 55 N -2.88 3.20 0.05 5.45 0.00 -1.26 -0.66 121.76 125.67 1bda s ALA 55 Ca 0.19 0.38 -0.22 0.00 0.00 0.00 0.00 51.96 52.31 1bda s ALA 55 Cb -0.04 -3.07 -0.14 0.00 0.00 0.00 0.00 23.12 19.87 1bda s ALA 55 CO 0.12 0.20 1.51 0.00 0.00 0.00 0.00 175.76 177.59 1bda h ALA 56 N 2.76 0.14 0.00 0.00 0.00 -1.76 -3.07 119.26 117.33 1bda h ALA 56 Ca -0.48 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 1bda h ALA 56 Cb 1.19 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1bda h ALA 56 CO 0.64 -0.20 -0.01 1.12 0.00 0.00 0.00 179.25 180.80 1bda h HIS 57 N -0.06 0.00 0.00 0.00 2.07 -1.93 -0.52 115.15 114.71 1bda h HIS 57 Ca 0.03 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.55 1bda h HIS 57 Cb 0.31 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.29 1bda h HIS 57 CO 0.02 0.01 -0.01 0.00 -3.07 0.00 0.00 177.93 174.88 1bda n PHE 59 N -3.22 0.85 -0.36 0.00 3.72 -0.20 -4.64 117.46 113.61 1bda n PHE 59 Ca -0.02 -0.77 0.28 0.00 -0.05 0.00 0.00 57.45 56.88 1bda n PHE 59 Cb 0.13 -0.25 0.57 0.00 -0.94 0.00 0.00 39.48 38.99 1bda n PHE 59 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1bda h GLN 60 N 1.93 0.26 0.00 -1.08 4.20 -1.52 0.36 115.11 119.26 1bda h GLN 60 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1bda h GLN 60 Cb 1.28 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1bda h GLN 60 CO 0.17 0.17 0.00 0.39 -0.67 0.00 0.00 178.83 178.89 1bda n GLU 60 N -4.64 0.00 -3.70 1.46 1.02 -1.26 -4.85 120.64 108.67 1bda n GLU 60 Ca 0.29 0.33 -0.21 0.00 -0.02 0.00 0.00 57.16 57.55 1bda n GLU 60 Cb 1.09 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 31.04 1bda n GLU 60 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1bda n ARG 60 N -1.34 -4.95 -1.82 3.49 5.12 0.12 -4.93 116.66 112.34 1bda n ARG 60 Ca 0.00 0.62 -0.38 0.00 -1.93 0.00 0.00 57.85 56.17 1bda n ARG 60 Cb 0.00 -5.20 0.04 0.00 -1.16 0.00 0.00 32.46 26.15 1bda n ARG 60 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1bda s PHE 60 N -3.66 2.29 0.05 -1.55 0.08 -1.26 -4.96 117.98 108.97 1bda s PHE 60 Ca 0.01 1.41 -0.30 0.00 0.12 0.00 0.00 56.93 58.17 1bda s PHE 60 Cb -0.01 -3.73 -0.05 0.00 -0.57 0.00 0.00 43.02 38.66 1bda s PHE 60 CO 0.81 -2.77 1.10 -2.14 -0.10 0.00 0.00 175.22 172.12 1bda s PRO 60 N -3.00 4.50 0.13 0.24 0.02 -1.26 -4.92 135.00 130.71 1bda s PRO 60 Ca 0.73 1.63 -0.15 0.00 0.02 0.00 0.00 61.00 63.23 1bda s PRO 60 Cb -0.38 -3.38 0.07 0.00 0.02 0.00 0.00 34.50 30.83 1bda s PRO 60 CO 0.44 -0.13 1.03 -0.35 -0.33 0.00 0.00 177.00 177.66 1bda n PRO 61 N 3.73 -0.21 0.00 5.54 -0.04 -1.26 0.75 135.00 143.51 1bda n PRO 61 Ca 0.07 1.02 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 1bda n PRO 61 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1bda n PRO 61 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1bda n HIS 62 N -4.92 0.00 -0.48 0.54 1.44 -1.26 -2.80 115.22 107.74 1bda n HIS 62 Ca 0.05 -0.28 0.02 0.00 -2.01 0.00 0.00 57.72 55.49 1bda n HIS 62 Cb 0.23 -0.18 0.03 0.00 0.12 0.00 0.00 29.99 30.18 1bda n HIS 62 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1bda n HIS 63 N 0.67 0.00 -4.37 -1.40 -0.00 0.23 -5.02 115.22 105.33 1bda n HIS 63 Ca 0.00 -0.48 -0.19 0.00 -0.00 0.00 0.00 57.72 57.06 1bda n HIS 63 Cb 0.29 -0.06 -0.14 0.00 -0.00 0.00 0.00 29.99 30.08 1bda n HIS 63 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1bda s LEU 64 N -1.11 2.06 -0.06 0.27 1.43 -1.12 -1.58 118.68 118.57 1bda s LEU 64 Ca 0.06 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1bda s LEU 64 Cb 0.05 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.79 1bda s LEU 64 CO 0.01 0.08 -0.14 -0.89 0.23 0.00 0.00 176.35 175.63 1bda s THR 65 N -0.40 1.28 -0.25 5.49 2.01 0.11 -2.80 115.64 121.07 1bda s THR 65 Ca 0.02 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.34 1bda s THR 65 Cb -0.05 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 1bda s THR 65 CO -0.00 0.38 0.14 -0.69 -0.69 0.00 0.00 174.62 173.76 1bda s VAL 66 N 0.43 5.01 -0.09 3.82 1.01 0.97 -0.91 120.40 130.64 1bda s VAL 66 Ca -0.11 0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1bda s VAL 66 Cb -0.14 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1bda s VAL 66 CO 0.04 0.31 -0.18 -0.63 0.00 0.00 0.00 175.10 174.63 1bda s ILE 67 N 1.45 2.62 0.34 2.22 1.01 -0.35 -0.40 121.20 128.09 1bda s ILE 67 Ca 0.07 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.95 1bda s ILE 67 Cb -0.15 -2.03 -0.07 0.00 0.01 0.00 0.00 42.46 40.22 1bda s ILE 67 CO 0.07 0.56 -0.04 -0.76 0.00 0.00 0.00 174.94 174.76 1bda s LEU 68 N -0.03 2.65 -1.31 2.97 1.43 0.11 -0.91 118.68 123.59 1bda s LEU 68 Ca -0.05 -1.26 -0.03 0.00 -1.03 0.00 0.00 54.13 51.76 1bda s LEU 68 Cb -0.14 -0.82 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1bda s LEU 68 CO 0.05 -0.34 0.91 0.61 0.23 0.00 0.00 176.35 177.80 1bda n GLY 69 N -0.78 -0.38 3.01 -3.19 0.00 -1.19 -1.03 105.19 101.64 1bda n GLY 69 Ca -0.05 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1bda n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bda s ARG 70 N -5.92 1.75 -0.03 1.61 3.52 -1.26 -3.16 118.95 115.46 1bda s ARG 70 Ca 0.18 -0.41 0.02 0.00 -0.13 0.00 0.00 55.73 55.39 1bda s ARG 70 Cb -0.08 -1.51 -0.25 0.00 -1.56 0.00 0.00 34.95 31.54 1bda s ARG 70 CO 0.78 -0.03 0.70 1.15 -0.81 0.00 0.00 175.30 177.09 1bda h THR 71 N 6.00 0.96 -3.27 4.11 2.02 -1.93 -3.42 112.91 117.38 1bda h THR 71 Ca -0.31 -2.70 -0.62 0.00 0.77 0.00 0.00 66.41 63.56 1bda h THR 71 Cb 1.18 2.59 -0.16 0.00 -1.74 0.00 0.00 68.15 70.02 1bda h THR 71 CO 0.47 0.74 -0.57 -0.31 0.37 0.00 0.00 175.52 176.21 1bda s TYR 72 N -2.60 3.23 0.22 3.16 2.02 -1.26 -1.01 117.35 121.11 1bda s TYR 72 Ca -0.10 0.05 -0.15 0.00 -0.37 0.00 0.00 57.07 56.50 1bda s TYR 72 Cb 0.07 -2.05 0.25 0.00 -0.40 0.00 0.00 41.96 39.84 1bda s TYR 72 CO 0.82 0.17 1.60 -0.09 -1.57 0.00 0.00 175.55 176.48 1bda h ARG 73 N 6.56 -0.05 0.00 -0.62 2.43 -1.64 -3.30 114.38 117.76 1bda h ARG 73 Ca -0.37 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.69 1bda h ARG 73 Cb 1.17 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1bda h ARG 73 CO 0.69 -0.03 -1.47 0.28 -1.51 0.00 0.00 179.97 177.92 1bda n VAL 74 N -5.48 0.40 -2.11 0.20 0.31 -1.26 -4.94 118.33 105.45 1bda n VAL 74 Ca 0.08 -0.29 -0.43 0.00 -0.01 0.00 0.00 64.34 63.70 1bda n VAL 74 Cb 0.38 -0.58 -0.02 0.00 -0.91 0.00 0.00 33.84 32.70 1bda n VAL 74 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1bda s VAL 75 N -2.25 3.63 -0.09 2.52 1.01 -1.25 -4.90 120.40 119.07 1bda s VAL 75 Ca -0.03 0.65 -0.36 0.00 0.00 0.00 0.00 61.98 62.23 1bda s VAL 75 Cb 0.03 -3.81 -0.14 0.00 0.00 0.00 0.00 36.38 32.46 1bda s VAL 75 CO 0.31 -0.49 1.71 -2.65 0.00 0.00 0.00 175.10 173.98 1bda n PRO 76 N 8.21 1.68 -2.53 2.72 -0.02 -1.26 -4.38 135.00 139.42 1bda n PRO 76 Ca 0.20 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.98 1bda n PRO 76 Cb 0.47 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 1bda n PRO 76 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bda s GLY 77 N 2.91 2.01 -0.01 -1.23 0.00 -1.26 -5.00 107.32 104.74 1bda s GLY 77 Ca 0.91 0.05 -0.25 0.00 0.00 0.00 0.00 44.72 45.44 1bda s GLY 77 CO 0.54 0.30 1.27 1.05 0.00 0.00 0.00 173.10 176.25 1bda h GLU 78 N 0.99 0.07 -0.04 2.90 4.11 -1.92 -3.18 114.58 117.51 1bda h GLU 78 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1bda h GLU 78 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1bda h GLU 78 CO 0.62 0.56 0.00 0.39 0.07 0.00 0.00 179.01 180.65 1bda n GLU 79 N -4.79 1.19 -1.62 1.06 1.02 -1.26 -4.91 120.64 111.33 1bda n GLU 79 Ca -0.08 -0.29 -0.37 0.00 -0.02 0.00 0.00 57.16 56.40 1bda n GLU 79 Cb 0.28 -1.33 0.07 0.00 -0.02 0.00 0.00 31.44 30.44 1bda n GLU 79 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1bda n GLU 80 N -0.51 0.91 -4.99 3.49 0.28 -1.19 -4.82 120.64 113.82 1bda n GLU 80 Ca 0.15 0.36 -0.27 0.00 -0.16 0.00 0.00 57.16 57.24 1bda n GLU 80 Cb 0.14 -2.33 -0.15 0.00 1.43 0.00 0.00 31.44 30.52 1bda n GLU 80 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1bda s GLN 81 N -3.12 1.68 0.09 3.44 -0.21 -0.20 -4.97 119.66 116.37 1bda s GLN 81 Ca 0.79 -0.80 0.08 0.00 0.02 0.00 0.00 55.36 55.45 1bda s GLN 81 Cb -0.39 -1.66 -0.03 0.00 1.00 0.00 0.00 33.01 31.93 1bda s GLN 81 CO 0.44 0.45 -0.22 0.15 -2.12 0.00 0.00 175.29 173.99 1bda s LYS 82 N -0.62 1.28 -0.10 2.91 1.02 -1.26 0.09 119.74 123.05 1bda s LYS 82 Ca 0.08 -1.12 -0.14 0.00 0.02 0.00 0.00 55.97 54.82 1bda s LYS 82 Cb -0.08 -1.53 0.03 0.00 -0.52 0.00 0.00 37.83 35.73 1bda s LYS 82 CO -0.00 0.37 0.35 -0.06 -0.92 0.00 0.00 175.35 175.09 1bda s PHE 83 N -1.02 -0.34 0.42 3.18 0.08 0.46 -5.01 117.98 115.75 1bda s PHE 83 Ca 0.08 0.76 -0.10 0.00 0.12 0.00 0.00 56.93 57.79 1bda s PHE 83 Cb -0.10 0.13 -0.06 0.00 -0.57 0.00 0.00 43.02 42.42 1bda s PHE 83 CO 0.04 -0.26 0.78 -1.21 -0.10 0.00 0.00 175.22 174.46 1bda s GLU 84 N -0.29 3.75 -0.22 0.44 2.02 -1.26 -0.02 118.70 123.11 1bda s GLU 84 Ca -0.04 0.44 -0.28 0.00 0.02 0.00 0.00 54.97 55.11 1bda s GLU 84 Cb -0.03 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.82 1bda s GLU 84 CO 0.02 -0.06 0.98 0.08 0.02 0.00 0.00 175.26 176.29 1bda s VAL 85 N -2.43 4.74 -0.01 2.63 1.01 -1.12 -0.04 120.40 125.17 1bda s VAL 85 Ca 0.51 1.91 -0.08 0.00 0.00 0.00 0.00 61.98 64.31 1bda s VAL 85 Cb -0.10 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1bda s VAL 85 CO 0.33 -0.13 0.56 -0.08 0.00 0.00 0.00 175.10 175.79 1bda h GLU 86 N 7.46 -0.28 -3.71 2.72 4.57 -0.63 -3.39 114.58 121.31 1bda h GLU 86 Ca -0.22 0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 57.91 1bda h GLU 86 Cb 1.08 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 29.63 1bda h GLU 86 CO 0.94 -0.19 -0.18 -1.59 -1.18 0.00 0.00 179.01 176.81 1bda s LYS 87 N -2.67 1.37 -0.17 1.92 -2.85 -1.17 -4.82 119.74 111.36 1bda s LYS 87 Ca -0.04 -1.18 -0.10 0.00 -1.00 0.00 0.00 55.97 53.65 1bda s LYS 87 Cb 0.00 0.44 0.06 0.00 -2.06 0.00 0.00 37.83 36.27 1bda s LYS 87 CO 0.13 -0.55 0.42 1.52 0.10 0.00 0.00 175.35 176.97 1bda s TYR 88 N -3.98 -0.60 0.28 1.78 -0.85 -1.26 -0.45 117.35 112.26 1bda s TYR 88 Ca 0.19 1.30 0.06 0.00 -0.52 0.00 0.00 57.07 58.10 1bda s TYR 88 Cb 0.01 0.26 -0.02 0.00 0.38 0.00 0.00 41.96 42.59 1bda s TYR 88 CO 0.04 -0.33 0.38 0.42 -1.52 0.00 0.00 175.55 174.54 1bda s ILE 89 N 1.24 4.73 -0.01 -3.49 1.09 0.43 -4.98 121.20 120.21 1bda s ILE 89 Ca -0.08 -1.04 -0.02 0.00 -1.10 0.00 0.00 60.65 58.40 1bda s ILE 89 Cb -0.08 -3.64 0.00 0.00 -1.06 0.00 0.00 42.46 37.68 1bda s ILE 89 CO -0.11 -0.27 0.05 -0.69 -0.10 0.00 0.00 174.94 173.82 1bda s VAL 90 N -2.07 0.02 -0.10 2.92 1.01 -1.26 -1.90 120.40 119.02 1bda s VAL 90 Ca 0.38 -0.18 -0.35 0.00 0.00 0.00 0.00 61.98 61.83 1bda s VAL 90 Cb -0.09 -0.14 -0.13 0.00 0.00 0.00 0.00 36.38 36.03 1bda s VAL 90 CO 0.29 -0.10 1.82 1.57 0.00 0.00 0.00 175.10 178.69 1bda n HIS 91 N 2.73 2.26 0.00 5.22 -0.00 -1.09 -4.81 115.22 119.54 1bda n HIS 91 Ca -0.15 0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.15 1bda n HIS 91 Cb 0.59 -2.62 0.00 0.00 -0.12 0.00 0.00 29.99 27.84 1bda n HIS 91 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1bda n LYS 92 N 6.10 0.00 -0.10 1.57 5.02 -1.26 -1.64 118.16 127.84 1bda n LYS 92 Ca 0.23 0.38 0.09 0.00 -2.02 0.00 0.00 58.31 56.98 1bda n LYS 92 Cb 0.26 -1.60 0.12 0.00 -0.02 0.00 0.00 35.03 33.80 1bda n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1bda n GLU 93 N -1.38 1.23 -1.55 1.97 1.02 -1.26 -5.02 120.64 115.66 1bda n GLU 93 Ca 0.00 -2.40 -0.38 0.00 -0.02 0.00 0.00 57.16 54.37 1bda n GLU 93 Cb 0.10 -1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 1bda n GLU 93 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1bda n PHE 94 N -1.28 1.38 -2.29 -0.32 7.35 -0.65 -4.77 117.46 116.88 1bda n PHE 94 Ca 0.14 0.13 -0.33 0.00 -0.76 0.00 0.00 57.45 56.63 1bda n PHE 94 Cb 0.63 -2.62 -0.04 0.00 0.35 0.00 0.00 39.48 37.81 1bda n PHE 94 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1bda s ASP 95 N 11.49 5.78 0.62 -2.13 2.15 -0.84 -4.84 116.67 128.90 1bda s ASP 95 Ca 1.03 -1.16 0.25 0.00 0.43 0.00 0.00 52.55 53.10 1bda s ASP 95 Cb -0.32 -2.57 1.11 0.00 -0.30 0.00 0.00 42.92 40.84 1bda s ASP 95 CO 0.30 -2.18 1.57 -2.24 -0.17 0.00 0.00 175.17 172.44 1bda h ASP 96 N 10.37 0.00 1.46 -0.34 2.03 -1.89 0.27 116.42 128.31 1bda h ASP 96 Ca 0.17 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.40 1bda h ASP 96 Cb 0.99 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.48 1bda h ASP 96 CO 1.31 0.00 -0.34 0.44 -1.03 0.00 0.00 179.24 179.62 1bda h ASP 97 N 0.00 0.00 0.00 4.15 3.32 -1.97 -3.36 116.42 118.56 1bda h ASP 97 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1bda h ASP 97 Cb 1.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.42 1bda h ASP 97 CO -0.00 0.34 -0.08 0.35 -1.72 0.00 0.00 179.24 178.13 1bda n THR 98 N -3.24 0.42 -2.04 0.35 -2.24 0.75 -4.97 114.28 103.31 1bda n THR 98 Ca 0.02 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 1bda n THR 98 Cb 0.62 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1bda n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1bda n TYR 99 N -0.25 -0.99 -2.19 4.78 4.01 -0.10 -4.86 117.16 117.55 1bda n TYR 99 Ca 0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 1bda n TYR 99 Cb 0.47 -2.78 -0.03 0.00 -0.31 0.00 0.00 39.34 36.69 1bda n TYR 99 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1bda s ASP 100 N -2.07 6.85 -0.81 7.72 2.15 -1.21 -2.70 116.67 126.60 1bda s ASP 100 Ca 0.00 2.33 -0.02 0.00 0.43 0.00 0.00 52.55 55.29 1bda s ASP 100 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1bda s ASP 100 CO 0.00 -0.62 0.30 0.59 -0.17 0.00 0.00 175.17 175.27 1bda n ASN 101 N 3.65 -3.90 -4.55 -0.34 3.02 -1.26 -1.98 115.26 109.89 1bda n ASN 101 Ca 0.10 -0.14 -0.33 0.00 -0.03 0.00 0.00 54.58 54.18 1bda n ASN 101 Cb 0.43 -2.81 -0.04 0.00 -0.61 0.00 0.00 39.78 36.74 1bda n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1bda s ASP 102 N -2.83 5.10 -0.24 6.41 2.15 -1.10 -4.61 116.67 121.54 1bda s ASP 102 Ca 0.15 0.02 -0.27 0.00 0.43 0.00 0.00 52.55 52.88 1bda s ASP 102 Cb -0.07 -2.54 0.14 0.00 -0.30 0.00 0.00 42.92 40.16 1bda s ASP 102 CO 0.19 -2.62 1.12 -0.51 -0.17 0.00 0.00 175.17 173.18 1bda s ILE 103 N 9.94 0.00 0.09 4.11 2.07 -1.26 -4.36 121.20 131.78 1bda s ILE 103 Ca 0.72 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.73 1bda s ILE 103 Cb -0.11 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.54 1bda s ILE 103 CO 0.13 0.00 0.56 0.00 -1.91 0.00 0.00 174.94 173.72 1bda s ALA 104 N -0.40 -1.45 0.04 1.50 0.00 0.16 -2.66 121.76 118.94 1bda s ALA 104 Ca 0.03 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.64 1bda s ALA 104 Cb -0.03 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 1bda s ALA 104 CO -0.05 -0.61 -0.21 -0.51 0.00 0.00 0.00 175.76 174.38 1bda s LEU 105 N -2.28 2.15 0.14 0.00 1.43 -0.80 -1.41 118.68 117.91 1bda s LEU 105 Ca -0.02 -0.51 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 1bda s LEU 105 Cb -0.00 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 1bda s LEU 105 CO -0.06 0.18 -0.22 -0.76 0.23 0.00 0.00 176.35 175.71 1bda s LEU 106 N -1.09 2.35 -0.17 1.79 1.02 -0.60 -0.43 118.68 121.56 1bda s LEU 106 Ca 0.08 -0.77 0.00 0.00 0.02 0.00 0.00 54.13 53.47 1bda s LEU 106 Cb -0.09 -1.00 0.01 0.00 0.02 0.00 0.00 46.19 45.13 1bda s LEU 106 CO 0.01 0.08 -0.17 -1.58 0.02 0.00 0.00 176.35 174.71 1bda s GLN 107 N -2.24 3.12 0.07 1.70 0.74 0.40 -2.35 119.66 121.09 1bda s GLN 107 Ca 0.12 -0.78 -0.31 0.00 0.05 0.00 0.00 55.36 54.44 1bda s GLN 107 Cb -0.09 -2.62 -0.07 0.00 1.10 0.00 0.00 33.01 31.33 1bda s GLN 107 CO 0.06 -0.10 1.42 -0.51 -0.55 0.00 0.00 175.29 175.61 1bda s LEU 108 N 1.07 4.35 -0.45 3.68 1.43 0.39 0.07 118.68 129.20 1bda s LEU 108 Ca -0.01 2.26 -0.29 0.00 -1.03 0.00 0.00 54.13 55.06 1bda s LEU 108 Cb -0.14 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.53 1bda s LEU 108 CO -0.05 -0.70 1.19 -0.75 0.23 0.00 0.00 176.35 176.26 1bda s LYS 109 N 1.75 3.72 -0.11 1.70 2.20 0.94 -4.63 119.74 125.31 1bda s LYS 109 Ca 0.65 0.67 -0.08 0.00 -0.36 0.00 0.00 55.97 56.86 1bda s LYS 109 Cb -0.35 -3.92 0.04 0.00 -1.51 0.00 0.00 37.83 32.09 1bda s LYS 109 CO 0.29 -1.39 0.27 0.45 -0.36 0.00 0.00 175.35 174.61 1bda s SER 110 N 2.69 -0.29 0.00 1.43 0.15 -1.26 -4.29 113.70 112.13 1bda s SER 110 Ca 0.50 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1bda s SER 110 Cb -0.09 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1bda s SER 110 CO 0.31 -0.13 0.04 -0.67 1.20 0.00 0.00 173.24 173.98 1bda n ASP 110 N 3.62 0.11 -0.95 5.45 2.03 -1.26 -4.86 116.55 120.69 1bda n ASP 110 Ca -0.19 -0.37 0.08 0.00 0.52 0.00 0.00 54.79 54.83 1bda n ASP 110 Cb 0.56 -0.02 0.22 0.00 -0.72 0.00 0.00 41.12 41.16 1bda n ASP 110 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1bda n SER 110 N 1.30 3.36 -3.98 1.67 2.88 -1.26 -5.20 113.62 112.39 1bda n SER 110 Ca 0.00 -1.99 -0.14 0.00 -1.33 0.00 0.00 58.87 55.41 1bda n SER 110 Cb 0.01 -0.34 -0.13 0.00 -0.75 0.00 0.00 64.21 63.01 1bda n SER 110 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1bda s ARG 110 N -1.01 0.39 0.00 -1.46 1.81 -1.26 -4.86 118.95 112.55 1bda s ARG 110 Ca 0.34 -0.34 0.00 0.00 -1.72 0.00 0.00 55.73 54.01 1bda s ARG 110 Cb 0.18 -0.29 0.00 0.00 -0.45 0.00 0.00 34.95 34.39 1bda s ARG 110 CO 0.24 0.07 0.00 0.00 -0.68 0.00 0.00 175.30 174.93 1bda s ALA 112 N -2.00 3.63 -0.21 0.00 0.00 0.01 -4.99 121.76 118.20 1bda s ALA 112 Ca 0.00 0.67 -0.23 0.00 0.00 0.00 0.00 51.96 52.40 1bda s ALA 112 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 1bda s ALA 112 CO 0.00 -1.30 0.74 -0.65 0.00 0.00 0.00 175.76 174.54 1bda s GLN 113 N 3.78 4.22 0.38 0.00 -0.21 -1.26 -4.61 119.66 121.96 1bda s GLN 113 Ca 0.64 0.80 -0.25 0.00 0.02 0.00 0.00 55.36 56.57 1bda s GLN 113 Cb -0.27 -3.60 -0.12 0.00 1.00 0.00 0.00 33.01 30.01 1bda s GLN 113 CO 0.22 -0.36 0.81 -1.91 -2.12 0.00 0.00 175.29 171.93 1bda n GLU 114 N 5.43 0.98 -3.27 2.91 2.13 -1.26 -4.88 120.64 122.67 1bda n GLU 114 Ca 0.02 0.35 -0.06 0.00 0.66 0.00 0.00 57.16 58.13 1bda n GLU 114 Cb 0.49 -1.74 0.02 0.00 0.27 0.00 0.00 31.44 30.48 1bda n GLU 114 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1bda n SER 115 N 1.03 -1.77 0.00 4.31 3.41 0.05 -4.98 113.62 115.67 1bda n SER 115 Ca 0.11 -2.18 0.10 0.00 -0.26 0.00 0.00 58.87 56.64 1bda n SER 115 Cb 0.37 2.94 0.52 0.00 -0.26 0.00 0.00 64.21 67.77 1bda n SER 115 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1bda n SER 116 N -1.38 0.00 0.00 4.04 2.88 -1.26 -2.84 113.62 115.06 1bda n SER 116 Ca -0.06 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1bda n SER 116 Cb 0.48 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1bda n SER 116 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1bda n VAL 117 N -1.29 0.00 -3.59 2.46 0.24 -1.26 -4.57 118.33 110.32 1bda n VAL 117 Ca 0.10 -0.38 -0.29 0.00 -2.04 0.00 0.00 64.34 61.73 1bda n VAL 117 Cb 0.16 1.07 -0.15 0.00 -1.47 0.00 0.00 33.84 33.45 1bda n VAL 117 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1bda s VAL 118 N -0.54 0.13 0.04 3.34 1.01 -1.13 -3.16 120.40 120.09 1bda s VAL 118 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1bda s VAL 118 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1bda s VAL 118 CO 0.00 -0.66 -0.00 -0.60 0.00 0.00 0.00 175.10 173.83 1bda s ARG 119 N 2.00 0.55 0.26 2.72 3.52 -0.00 -0.77 118.95 127.24 1bda s ARG 119 Ca 0.08 -1.01 -0.13 0.00 -0.13 0.00 0.00 55.73 54.54 1bda s ARG 119 Cb -0.16 0.20 -0.08 0.00 -1.56 0.00 0.00 34.95 33.35 1bda s ARG 119 CO -0.31 -0.11 0.63 0.95 -0.81 0.00 0.00 175.30 175.64 1bda s THR 120 N -3.21 4.81 0.49 4.11 -4.23 -1.25 -3.11 115.64 113.25 1bda s THR 120 Ca 0.00 0.72 -0.05 0.00 -1.18 0.00 0.00 61.69 61.18 1bda s THR 120 Cb 0.03 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.20 1bda s THR 120 CO -0.07 -0.08 0.79 -0.69 -0.54 0.00 0.00 174.62 174.03 1bda s VAL 121 N -1.84 4.79 -0.16 2.29 1.01 -0.62 -2.48 120.40 123.39 1bda s VAL 121 Ca 0.49 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.47 1bda s VAL 121 Cb -0.11 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1bda s VAL 121 CO 0.19 -0.81 0.43 0.00 0.00 0.00 0.00 175.10 174.91 1bda s LEU 123 N 0.96 3.04 0.42 0.00 1.43 -1.26 -0.88 118.68 122.39 1bda s LEU 123 Ca 0.22 1.96 -0.22 0.00 -1.03 0.00 0.00 54.13 55.06 1bda s LEU 123 Cb -0.15 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.44 1bda s LEU 123 CO 0.08 -2.26 1.00 -2.16 0.23 0.00 0.00 176.35 173.24 1bda s PRO 124 N -4.70 4.16 0.36 1.29 0.04 -1.22 -4.74 135.00 130.19 1bda s PRO 124 Ca 0.64 1.32 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 1bda s PRO 124 Cb -0.19 -2.35 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 1bda s PRO 124 CO 0.54 -0.11 1.09 -2.14 0.04 0.00 0.00 177.00 176.42 1bda s PRO 125 N -2.83 4.32 0.56 0.56 0.02 -1.26 -4.88 135.00 131.49 1bda s PRO 125 Ca 0.60 1.69 0.30 0.00 0.02 0.00 0.00 61.00 63.61 1bda s PRO 125 Cb -0.16 -2.81 1.46 0.00 0.02 0.00 0.00 34.50 33.01 1bda s PRO 125 CO 0.20 -0.05 1.89 0.00 -0.33 0.00 0.00 177.00 178.71 1bda h ALA 126 N 3.02 2.50 -0.01 -1.55 0.00 -1.94 -0.10 119.26 121.17 1bda h ALA 126 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bda h ALA 126 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1bda h ALA 126 CO 0.64 -0.90 -0.09 -0.40 0.00 0.00 0.00 179.25 178.50 1bda n ASP 127 N -3.97 1.56 -4.77 0.00 5.75 -1.26 -4.96 116.55 108.90 1bda n ASP 127 Ca 0.13 -1.39 -0.41 0.00 -0.01 0.00 0.00 54.79 53.11 1bda n ASP 127 Cb 0.81 0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.94 1bda n ASP 127 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1bda s LEU 128 N -2.16 4.39 -0.46 -2.12 2.96 -0.05 -4.99 118.68 116.25 1bda s LEU 128 Ca 0.32 2.79 0.06 0.00 -0.22 0.00 0.00 54.13 57.09 1bda s LEU 128 Cb 0.20 -3.65 0.18 0.00 0.50 0.00 0.00 46.19 43.42 1bda s LEU 128 CO 0.39 -0.67 0.59 -1.58 -1.32 0.00 0.00 176.35 173.76 1bda s GLN 129 N -1.61 0.94 0.54 1.98 2.00 -1.26 -4.98 119.66 117.28 1bda s GLN 129 Ca 0.52 -1.12 -0.22 0.00 -2.00 0.00 0.00 55.36 52.54 1bda s GLN 129 Cb -0.42 -0.39 -0.05 0.00 0.80 0.00 0.00 33.01 32.95 1bda s GLN 129 CO 0.54 -1.30 1.38 -0.51 -0.50 0.00 0.00 175.29 174.90 1bda s LEU 130 N 0.94 3.86 1.31 3.68 1.43 -1.26 -4.98 118.68 123.66 1bda s LEU 130 Ca 0.27 2.81 -0.20 0.00 -1.03 0.00 0.00 54.13 55.98 1bda s LEU 130 Cb -0.02 -4.25 0.31 0.00 0.03 0.00 0.00 46.19 42.26 1bda s LEU 130 CO -0.08 -1.58 0.73 -2.65 0.23 0.00 0.00 176.35 173.00 1bda n PRO 131 N -1.00 -3.69 -0.92 1.29 -0.02 -1.26 -4.94 135.00 124.46 1bda n PRO 131 Ca 0.10 -1.09 -0.31 0.00 -2.02 0.00 0.00 63.50 60.19 1bda n PRO 131 Cb 0.45 -1.87 0.15 0.00 -0.02 0.00 0.00 33.50 32.21 1bda n PRO 131 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1bda s ASP 132 N -2.63 3.27 0.00 2.55 1.01 -1.26 -3.27 116.67 116.34 1bda s ASP 132 Ca 0.61 1.92 0.00 0.00 0.71 0.00 0.00 52.55 55.78 1bda s ASP 132 Cb -0.14 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1bda s ASP 132 CO 0.55 -2.84 0.00 0.79 0.21 0.00 0.00 175.17 173.88 1bda n TRP 133 N -4.04 -1.69 -1.69 4.23 7.02 -0.85 -4.83 117.44 115.59 1bda n TRP 133 Ca 0.09 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 56.13 1bda n TRP 133 Cb 0.53 -0.92 -0.03 0.00 -2.42 0.00 0.00 31.31 28.47 1bda n TRP 133 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1bda n THR 134 N -2.07 0.76 -2.22 -0.99 -1.04 -1.20 -4.47 114.28 103.05 1bda n THR 134 Ca 0.00 -0.19 -0.43 0.00 -2.04 0.00 0.00 64.05 61.39 1bda n THR 134 Cb 0.38 -1.61 -0.02 0.00 -1.82 0.00 0.00 70.33 67.26 1bda n THR 134 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1bda s GLU 135 N -0.13 3.42 0.50 -2.82 2.12 -1.26 -1.73 118.70 118.79 1bda s GLU 135 Ca 0.69 1.04 0.01 0.00 0.36 0.00 0.00 54.97 57.07 1bda s GLU 135 Cb -0.62 -4.11 -0.00 0.00 0.26 0.00 0.00 34.13 29.66 1bda s GLU 135 CO 0.47 -1.76 0.05 0.00 -0.54 0.00 0.00 175.26 173.47 1bda s GLU 137 N -3.82 0.46 0.31 0.00 -1.05 0.13 -1.07 118.70 113.66 1bda s GLU 137 Ca 0.07 0.77 0.09 0.00 -0.15 0.00 0.00 54.97 55.75 1bda s GLU 137 Cb 0.00 0.07 -0.05 0.00 -0.44 0.00 0.00 34.13 33.72 1bda s GLU 137 CO 0.05 -0.13 -0.01 -0.48 0.95 0.00 0.00 175.26 175.64 1bda s LEU 138 N 1.06 3.01 0.07 1.83 2.34 0.16 -2.01 118.68 125.14 1bda s LEU 138 Ca -0.07 -0.88 -0.16 0.00 0.06 0.00 0.00 54.13 53.08 1bda s LEU 138 Cb -0.06 -1.45 0.03 0.00 -0.56 0.00 0.00 46.19 44.14 1bda s LEU 138 CO -0.09 -0.14 0.37 -0.94 -1.06 0.00 0.00 176.35 174.49 1bda s SER 139 N -3.69 -0.21 0.00 1.48 1.04 -1.23 0.16 113.70 111.26 1bda s SER 139 Ca 0.33 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1bda s SER 139 Cb -0.03 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1bda s SER 139 CO 0.19 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1bda n GLY 140 N 0.30 -1.04 0.01 7.32 0.00 -0.87 -4.16 105.19 106.74 1bda n GLY 140 Ca -0.18 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.10 1bda n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bda n TYR 141 N 0.26 0.00 -0.57 1.61 4.01 -1.26 -0.83 117.16 120.38 1bda n TYR 141 Ca 0.00 -0.49 -0.31 0.00 -0.16 0.00 0.00 57.90 56.94 1bda n TYR 141 Cb 0.00 -0.05 0.28 0.00 -0.31 0.00 0.00 39.34 39.26 1bda n TYR 141 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1bda s GLY 142 N -1.07 1.46 0.98 2.72 0.00 -1.24 -0.98 107.32 109.19 1bda s GLY 142 Ca 0.03 -0.95 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 1bda s GLY 142 CO 0.00 0.07 0.72 0.28 0.00 0.00 0.00 173.10 174.17 1bda n LYS 143 N -5.46 -0.73 -0.03 2.90 5.02 0.11 -2.53 118.16 117.44 1bda n LYS 143 Ca 0.14 -0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.39 1bda n LYS 143 Cb 0.60 -2.08 0.18 0.00 -0.02 0.00 0.00 35.03 33.71 1bda n LYS 143 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1bda n HIS 144 N -4.09 0.08 0.00 2.13 8.25 -1.26 -4.60 115.22 115.72 1bda n HIS 144 Ca 0.08 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1bda n HIS 144 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 1bda n HIS 144 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1bda n GLU 145 N 1.19 0.00 0.00 -0.41 4.07 -1.26 -4.61 120.64 119.61 1bda n GLU 145 Ca 0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 1bda n GLU 145 Cb 0.56 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 1bda n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bda n ALA 146 N -0.28 0.00 0.12 4.31 0.00 -1.26 -1.98 120.51 121.41 1bda n ALA 146 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1bda n ALA 146 Cb 0.00 0.16 0.07 0.00 0.00 0.00 0.00 19.45 19.68 1bda n ALA 146 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bda n LEU 147 N -1.42 0.00 -4.68 0.00 4.77 -1.26 -4.80 117.00 109.61 1bda n LEU 147 Ca 0.00 0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 56.03 1bda n LEU 147 Cb 0.00 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 1bda n LEU 147 CO 0.00 -0.42 1.36 -0.55 -1.33 0.00 0.00 177.39 176.45 1bda s SER 148 N -2.94 6.59 0.00 -1.43 0.15 -0.84 -4.88 113.70 110.35 1bda s SER 148 Ca 0.02 2.48 0.13 0.00 0.70 0.00 0.00 55.95 59.28 1bda s SER 148 Cb 0.02 -2.56 0.77 0.00 -1.71 0.00 0.00 66.02 62.54 1bda s SER 148 CO 0.06 -0.91 1.26 -0.81 1.20 0.00 0.00 173.24 174.04 1bda n PRO 149 N 5.93 0.67 -4.25 5.44 -0.04 -1.26 -4.82 135.00 136.67 1bda n PRO 149 Ca 0.16 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.42 1bda n PRO 149 Cb 0.41 -1.30 -0.12 0.00 -0.04 0.00 0.00 33.50 32.45 1bda n PRO 149 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1bda s PHE 150 N -2.00 1.53 0.15 0.54 0.08 -1.26 -5.14 117.98 111.88 1bda s PHE 150 Ca 0.19 -0.48 -0.10 0.00 0.12 0.00 0.00 56.93 56.66 1bda s PHE 150 Cb 0.09 -0.81 -0.06 0.00 -0.57 0.00 0.00 43.02 41.66 1bda s PHE 150 CO 0.15 0.17 0.48 0.71 -0.10 0.00 0.00 175.22 176.63 1bda s TYR 151 N -1.69 3.53 0.00 0.36 2.02 -1.26 -4.26 117.35 116.05 1bda s TYR 151 Ca 0.07 0.85 -0.30 0.00 -0.37 0.00 0.00 57.07 57.32 1bda s TYR 151 Cb -0.07 -2.22 -0.08 0.00 -0.40 0.00 0.00 41.96 39.19 1bda s TYR 151 CO 0.04 0.41 1.88 0.45 -1.57 0.00 0.00 175.55 176.76 1bda s SER 152 N -2.02 6.49 0.00 2.29 0.15 -0.15 -4.88 113.70 115.57 1bda s SER 152 Ca 0.40 2.53 0.12 0.00 0.70 0.00 0.00 55.95 59.69 1bda s SER 152 Cb -0.13 -2.53 0.61 0.00 -1.71 0.00 0.00 66.02 62.25 1bda s SER 152 CO 0.20 -1.04 1.30 -1.84 1.20 0.00 0.00 173.24 173.06 1bda n GLU 153 N 7.46 0.16 -4.08 5.44 0.28 -1.26 -4.45 120.64 124.19 1bda n GLU 153 Ca 0.19 0.18 -0.15 0.00 -0.16 0.00 0.00 57.16 57.22 1bda n GLU 153 Cb 0.42 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.65 1bda n GLU 153 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1bda s ARG 154 N -2.59 0.33 -0.25 3.44 3.52 -1.26 -2.08 118.95 120.06 1bda s ARG 154 Ca 0.11 -0.19 -0.35 0.00 -0.13 0.00 0.00 55.73 55.17 1bda s ARG 154 Cb 0.08 -0.30 -0.12 0.00 -1.56 0.00 0.00 34.95 33.06 1bda s ARG 154 CO 0.19 0.08 2.03 -0.11 -0.81 0.00 0.00 175.30 176.67 1bda n LEU 155 N 2.85 2.68 -4.89 -0.88 7.94 -0.18 -4.84 117.00 119.67 1bda n LEU 155 Ca -0.14 0.67 -0.30 0.00 -1.11 0.00 0.00 56.01 55.14 1bda n LEU 155 Cb 0.58 -1.30 -0.04 0.00 0.53 0.00 0.00 43.42 43.19 1bda n LEU 155 CO 0.25 -0.47 0.21 -1.59 -1.11 0.00 0.00 177.39 174.68 1bda s LYS 156 N 5.15 3.68 0.04 1.96 -2.85 -0.01 -0.68 119.74 127.04 1bda s LYS 156 Ca 1.02 0.10 0.04 0.00 -1.00 0.00 0.00 55.97 56.12 1bda s LYS 156 Cb -0.79 -2.64 -0.02 0.00 -2.06 0.00 0.00 37.83 32.31 1bda s LYS 156 CO 0.51 0.24 -0.11 -1.83 0.10 0.00 0.00 175.35 174.26 1bda s GLU 157 N -3.35 0.74 0.00 1.78 -1.05 0.51 -2.06 118.70 115.29 1bda s GLU 157 Ca 0.45 -0.69 -0.02 0.00 -0.15 0.00 0.00 54.97 54.55 1bda s GLU 157 Cb -0.11 -0.69 -0.01 0.00 -0.44 0.00 0.00 34.13 32.89 1bda s GLU 157 CO 0.28 0.16 0.04 0.00 0.95 0.00 0.00 175.26 176.69 1bda s ALA 158 N -0.92 -0.08 -0.10 -0.84 0.00 0.12 -1.24 121.76 118.71 1bda s ALA 158 Ca -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.74 1bda s ALA 158 Cb -0.08 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1bda s ALA 158 CO 0.01 -0.12 -0.13 -1.01 0.00 0.00 0.00 175.76 174.50 1bda s HIS 159 N -0.92 2.77 0.30 0.00 0.09 -1.26 0.39 115.29 116.67 1bda s HIS 159 Ca -0.10 -0.45 0.07 0.00 -0.00 0.00 0.00 55.06 54.58 1bda s HIS 159 Cb -0.06 -1.76 -0.03 0.00 -0.00 0.00 0.00 32.58 30.73 1bda s HIS 159 CO -0.00 -0.05 0.26 1.33 -0.00 0.00 0.00 174.74 176.27 1bda n VAL 160 N 3.05 0.00 -4.94 -0.90 0.24 -0.24 -4.73 118.33 110.81 1bda n VAL 160 Ca -0.18 -2.18 -0.28 0.00 -2.04 0.00 0.00 64.34 59.66 1bda n VAL 160 Cb 0.53 1.09 -0.17 0.00 -1.47 0.00 0.00 33.84 33.82 1bda n VAL 160 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1bda s ARG 161 N -3.21 2.30 0.40 7.34 0.52 0.24 -0.36 118.95 126.18 1bda s ARG 161 Ca 0.36 -0.68 -0.27 0.00 -0.52 0.00 0.00 55.73 54.62 1bda s ARG 161 Cb 0.02 -1.84 -0.10 0.00 0.52 0.00 0.00 34.95 33.55 1bda s ARG 161 CO 0.25 0.17 1.48 1.28 0.02 0.00 0.00 175.30 178.50 1bda n LEU 162 N 3.47 4.93 -4.94 2.53 4.77 -0.70 -1.42 117.00 125.64 1bda n LEU 162 Ca -0.20 1.19 -0.24 0.00 -0.03 0.00 0.00 56.01 56.73 1bda n LEU 162 Cb 0.52 -1.62 -0.01 0.00 -2.33 0.00 0.00 43.42 39.98 1bda n LEU 162 CO 0.26 0.08 0.19 -0.31 -1.33 0.00 0.00 177.39 176.28 1bda s TYR 163 N -1.14 3.50 0.43 -1.77 1.51 0.16 -2.01 117.35 118.03 1bda s TYR 163 Ca 0.56 0.39 -0.22 0.00 -1.01 0.00 0.00 57.07 56.79 1bda s TYR 163 Cb -0.47 -1.93 -0.10 0.00 -0.11 0.00 0.00 41.96 39.36 1bda s TYR 163 CO 0.62 0.11 0.99 -2.14 -1.11 0.00 0.00 175.55 174.01 1bda s PRO 164 N -4.27 4.16 0.36 -1.71 0.02 -1.26 -4.72 135.00 127.58 1bda s PRO 164 Ca 0.41 1.26 0.15 0.00 0.02 0.00 0.00 61.00 62.84 1bda s PRO 164 Cb -0.10 -2.29 1.02 0.00 0.02 0.00 0.00 34.50 33.16 1bda s PRO 164 CO 0.36 -0.11 1.74 0.77 -0.33 0.00 0.00 177.00 179.43 1bda h SER 165 N 2.07 0.54 -0.60 2.53 0.02 -1.97 0.38 113.55 116.53 1bda h SER 165 Ca -0.49 0.12 0.14 0.00 -0.84 0.00 0.00 61.79 60.72 1bda h SER 165 Cb 1.20 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.74 1bda h SER 165 CO 0.61 0.06 0.42 0.77 -1.14 0.00 0.00 176.83 177.55 1bda h SER 166 N 0.46 0.16 0.57 3.07 4.64 -2.03 -2.11 113.55 118.30 1bda h SER 166 Ca 0.64 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.96 1bda h SER 166 Cb 1.45 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1bda h SER 166 CO -0.41 0.08 -1.44 0.54 -0.87 0.00 0.00 176.83 174.74 1bda n ARG 167 N -4.42 0.63 -1.83 4.77 1.74 0.11 -4.54 116.66 113.11 1bda n ARG 167 Ca 0.11 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 1bda n ARG 167 Cb 0.55 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 30.29 1bda n ARG 167 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bda s THR 169 N 1.20 0.20 0.49 0.00 -4.23 -1.26 -4.91 115.64 107.13 1bda s THR 169 Ca 0.53 -1.28 0.33 0.00 -1.18 0.00 0.00 61.69 60.09 1bda s THR 169 Cb 0.15 -0.78 0.53 0.00 1.34 0.00 0.00 72.50 73.74 1bda s THR 169 CO -0.06 -0.68 1.72 0.28 -0.54 0.00 0.00 174.62 175.34 1bda h SER 169 N 4.05 0.16 -0.69 3.99 0.02 -1.88 0.49 113.55 119.68 1bda h SER 169 Ca -0.33 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1bda h SER 169 Cb 1.18 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1bda h SER 169 CO 0.51 -0.02 0.42 -0.61 -1.14 0.00 0.00 176.83 175.99 1bda h GLN 169 N 0.11 0.94 0.00 3.45 5.75 -1.89 0.78 115.11 124.25 1bda h GLN 169 Ca 0.68 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 59.07 1bda h GLN 169 Cb 2.38 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 30.72 1bda h GLN 169 CO -0.16 0.66 -0.14 0.45 -2.65 0.00 0.00 178.83 176.99 1bda h HIS 170 N 0.96 0.00 -2.41 3.99 3.86 -0.28 -3.38 115.15 117.88 1bda h HIS 170 Ca 0.25 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.79 1bda h HIS 170 Cb -0.04 0.00 -0.37 0.00 1.06 0.00 0.00 27.41 28.06 1bda h HIS 170 CO 0.00 0.14 -0.10 1.28 0.86 0.00 0.00 177.93 180.11 1bda n LEU 171 N -3.14 4.84 -4.07 2.43 4.77 -0.40 -4.88 117.00 116.55 1bda n LEU 171 Ca 0.03 -5.41 -0.35 0.00 -0.03 0.00 0.00 56.01 50.25 1bda n LEU 171 Cb 0.58 -0.86 -0.07 0.00 -2.33 0.00 0.00 43.42 40.74 1bda n LEU 171 CO 0.36 1.99 -0.13 0.18 -1.33 0.00 0.00 177.39 178.46 1bda n LEU 172 N 0.79 -0.68 0.00 2.23 4.77 -1.23 -0.50 117.00 122.38 1bda n LEU 172 Ca 0.30 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1bda n LEU 172 Cb 0.38 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1bda n LEU 172 CO 0.50 0.08 0.00 0.59 -1.33 0.00 0.00 177.39 177.23 1bda n ASN 173 N -2.05 0.00 -4.37 -1.43 3.02 0.13 -4.97 115.26 105.60 1bda n ASN 173 Ca 0.10 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.31 1bda n ASN 173 Cb 0.41 -0.50 0.10 0.00 -0.61 0.00 0.00 39.78 39.18 1bda n ASN 173 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bda n ARG 174 N -1.79 -0.19 -3.08 3.52 5.12 0.34 -4.87 116.66 115.71 1bda n ARG 174 Ca 0.00 -0.02 -0.34 0.00 -1.93 0.00 0.00 57.85 55.56 1bda n ARG 174 Cb 0.00 -1.74 -0.06 0.00 -1.16 0.00 0.00 32.46 29.50 1bda n ARG 174 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1bda s THR 175 N -2.30 4.60 -0.21 0.55 2.01 -1.26 -4.29 115.64 114.74 1bda s THR 175 Ca 0.55 1.13 -0.02 0.00 0.31 0.00 0.00 61.69 63.67 1bda s THR 175 Cb -0.22 -3.69 0.06 0.00 0.01 0.00 0.00 72.50 68.66 1bda s THR 175 CO 0.69 -0.08 0.02 -0.69 -0.69 0.00 0.00 174.62 173.86 1bda s VAL 176 N -1.87 0.73 0.71 3.82 1.01 -1.26 -4.92 120.40 118.62 1bda s VAL 176 Ca 0.52 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1bda s VAL 176 Cb -0.12 -1.20 0.10 0.00 0.00 0.00 0.00 36.38 35.16 1bda s VAL 176 CO 0.18 -0.20 0.99 0.42 0.00 0.00 0.00 175.10 176.49 1bda s THR 177 N 1.76 2.25 -0.22 3.92 -4.23 -1.26 -4.84 115.64 113.03 1bda s THR 177 Ca -0.02 -0.47 0.01 0.00 -1.18 0.00 0.00 61.69 60.03 1bda s THR 177 Cb -0.17 -2.78 0.10 0.00 1.34 0.00 0.00 72.50 70.99 1bda s THR 177 CO -0.08 0.00 1.05 -0.67 -0.54 0.00 0.00 174.62 174.38 1bda n ASP 178 N -2.87 2.85 0.00 3.99 -0.08 -1.26 -2.53 116.55 116.65 1bda n ASP 178 Ca 0.12 -2.22 0.00 0.00 -1.51 0.00 0.00 54.79 51.18 1bda n ASP 178 Cb 0.60 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1bda n ASP 178 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1bda n ASN 179 N 0.23 1.30 -4.58 1.67 3.02 -1.26 -4.98 115.26 110.67 1bda n ASN 179 Ca 0.08 -1.46 -0.28 0.00 -0.03 0.00 0.00 54.58 52.89 1bda n ASN 179 Cb 0.62 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.70 1bda n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1bda s MET 180 N -0.46 2.11 -0.06 3.52 -1.94 -1.05 0.20 119.30 121.62 1bda s MET 180 Ca 0.00 -1.15 -0.06 0.00 -1.71 0.00 0.00 55.69 52.77 1bda s MET 180 Cb 0.00 -2.23 0.01 0.00 2.01 0.00 0.00 34.83 34.62 1bda s MET 180 CO 0.00 0.47 0.17 -0.48 -0.01 0.00 0.00 175.02 175.16 1bda s LEU 181 N -2.57 1.37 0.02 -0.03 0.05 0.15 -4.78 118.68 112.89 1bda s LEU 181 Ca 0.23 0.27 -0.03 0.00 0.05 0.00 0.00 54.13 54.66 1bda s LEU 181 Cb -0.10 0.60 -0.04 0.00 -2.05 0.00 0.00 46.19 44.60 1bda s LEU 181 CO 0.15 -0.10 0.22 0.00 -0.55 0.00 0.00 176.35 176.07 1bda s ALA 183 N -1.40 -1.94 0.00 0.00 0.00 -1.01 0.40 121.76 117.81 1bda s ALA 183 Ca 0.30 2.00 0.00 0.00 0.00 0.00 0.00 51.96 54.27 1bda s ALA 183 Cb -0.13 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1bda s ALA 183 CO 0.21 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1bda n GLY 184 N 2.68 1.04 3.80 0.00 0.00 -0.50 -2.14 105.19 110.06 1bda n GLY 184 Ca -0.14 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1bda n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bda s ASP 185 N -0.60 7.21 0.00 1.61 -1.08 -1.25 -0.59 116.67 121.97 1bda s ASP 185 Ca 0.00 1.52 0.19 0.00 -0.52 0.00 0.00 52.55 53.74 1bda s ASP 185 Cb 0.00 -2.45 -0.11 0.00 -1.46 0.00 0.00 42.92 38.89 1bda s ASP 185 CO 0.00 0.12 0.88 0.35 0.52 0.00 0.00 175.17 177.04 1bda n THR 186 N 1.15 0.00 -1.89 1.71 -2.24 -1.26 -4.82 114.28 106.93 1bda n THR 186 Ca -0.04 -0.17 -0.31 0.00 -2.27 0.00 0.00 64.05 61.26 1bda n THR 186 Cb 0.50 1.10 0.01 0.00 -2.10 0.00 0.00 70.33 69.85 1bda n THR 186 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1bda s ARG 186 N -2.51 3.50 0.00 -0.78 0.52 -1.26 -5.01 118.95 113.41 1bda s ARG 186 Ca 0.11 0.84 0.00 0.00 -0.52 0.00 0.00 55.73 56.16 1bda s ARG 186 Cb 0.15 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.55 1bda s ARG 186 CO 0.64 -0.65 0.00 0.45 0.02 0.00 0.00 175.30 175.77 1bda n SER 186 N -2.63 0.00 -0.71 0.23 2.88 -1.26 -4.90 113.62 107.22 1bda n SER 186 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1bda n SER 186 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1bda n SER 186 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bda n GLY 186 N 0.00 -3.78 2.70 0.46 0.00 -1.26 -5.01 105.19 98.30 1bda n GLY 186 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1bda n GLY 186 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bda n PRO 186 N -0.77 0.00 -1.36 1.61 -0.02 -1.26 -4.05 135.00 129.15 1bda n PRO 186 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1bda n PRO 186 Cb 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1bda n PRO 186 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1bda n GLN 186 N 3.76 -3.80 -4.11 -0.52 -0.06 -1.26 -5.09 117.38 106.30 1bda n GLN 186 Ca 0.00 2.75 -0.09 0.00 -2.00 0.00 0.00 57.00 57.65 1bda n GLN 186 Cb 0.38 -3.02 -0.10 0.00 -4.06 0.00 0.00 30.24 23.44 1bda n GLN 186 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1bda s ALA 186 N -1.72 0.68 -0.59 1.69 0.00 -1.26 -5.10 121.76 115.47 1bda s ALA 186 Ca 0.00 -1.19 -0.18 0.00 0.00 0.00 0.00 51.96 50.59 1bda s ALA 186 Cb 0.00 0.20 0.12 0.00 0.00 0.00 0.00 23.12 23.43 1bda s ALA 186 CO 0.00 -0.27 0.66 0.54 0.00 0.00 0.00 175.76 176.69 1bda s ASN 186 N -2.76 6.21 0.29 0.00 4.22 -1.26 -5.03 114.94 116.61 1bda s ASN 186 Ca 0.06 -1.58 -0.27 0.00 -2.14 0.00 0.00 52.86 48.92 1bda s ASN 186 Cb 0.04 -2.28 -0.10 0.00 1.28 0.00 0.00 41.25 40.20 1bda s ASN 186 CO -0.06 -1.03 0.94 -0.76 -2.04 0.00 0.00 177.10 174.14 1bda s LEU 187 N 2.32 4.44 0.19 3.54 1.43 -1.26 -4.56 118.68 124.78 1bda s LEU 187 Ca 0.10 1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 54.76 1bda s LEU 187 Cb -0.25 -3.87 -0.08 0.00 0.03 0.00 0.00 46.19 42.03 1bda s LEU 187 CO 0.05 0.01 1.02 -1.00 0.23 0.00 0.00 176.35 176.65 1bda s HIS 188 N -1.47 3.76 -0.30 0.29 3.76 -1.26 -3.80 115.29 116.28 1bda s HIS 188 Ca 0.47 1.76 -0.29 0.00 -0.15 0.00 0.00 55.06 56.84 1bda s HIS 188 Cb -0.21 -3.13 0.20 0.00 1.11 0.00 0.00 32.58 30.55 1bda s HIS 188 CO 0.26 -0.07 1.39 0.34 -0.85 0.00 0.00 174.74 175.82 1bda s ASP 189 N -0.47 -0.01 0.89 1.40 2.15 -0.74 -3.76 116.67 116.13 1bda s ASP 189 Ca 0.46 0.01 -0.12 0.00 0.43 0.00 0.00 52.55 53.32 1bda s ASP 189 Cb -0.27 0.00 0.13 0.00 -0.30 0.00 0.00 42.92 42.48 1bda s ASP 189 CO 0.33 -0.01 1.12 0.00 -0.17 0.00 0.00 175.17 176.45 1bda s ALA 190 N -1.04 1.78 0.26 3.66 0.00 -1.26 -4.79 121.76 120.37 1bda s ALA 190 Ca 0.10 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.49 1bda s ALA 190 Cb -0.01 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1bda s ALA 190 CO -0.09 -2.22 0.58 0.00 0.00 0.00 0.00 175.76 174.03 1bda n GLN 192 N -0.42 0.23 0.00 0.00 3.00 -1.26 0.50 117.38 119.43 1bda n GLN 192 Ca -0.03 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1bda n GLN 192 Cb 0.61 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 29.22 1bda n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bda n GLY 193 N 4.38 2.22 0.03 1.08 0.00 -1.26 0.06 105.19 111.70 1bda n GLY 193 Ca 0.32 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.48 1bda n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bda n ASP 194 N 0.00 0.36 -4.74 1.61 8.00 0.18 -3.62 116.55 118.33 1bda n ASP 194 Ca 0.00 0.37 -0.38 0.00 0.71 0.00 0.00 54.79 55.49 1bda n ASP 194 Cb 0.00 -0.40 0.05 0.00 -0.02 0.00 0.00 41.12 40.76 1bda n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bda n SER 195 N -1.76 2.46 0.00 -2.24 7.64 -1.26 -2.11 113.62 116.36 1bda n SER 195 Ca 0.06 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1bda n SER 195 Cb 0.37 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1bda n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bda n GLY 196 N 0.82 1.93 3.93 0.23 0.00 -1.07 -0.67 105.19 110.35 1bda n GLY 196 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1bda n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bda s GLY 197 N -1.97 1.70 0.39 -0.02 0.00 -0.90 -2.59 107.32 103.94 1bda s GLY 197 Ca 0.00 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.73 1bda s GLY 197 CO 0.00 -0.42 0.56 2.56 0.00 0.00 0.00 173.10 175.81 1bda s PRO 198 N -5.63 3.09 -0.34 2.90 0.04 -1.26 -2.09 135.00 131.71 1bda s PRO 198 Ca 0.67 -0.76 -0.01 0.00 0.04 0.00 0.00 61.00 60.95 1bda s PRO 198 Cb -0.07 -2.70 0.13 0.00 0.04 0.00 0.00 34.50 31.90 1bda s PRO 198 CO 0.50 -0.09 0.20 -1.17 0.04 0.00 0.00 177.00 176.47 1bda s LEU 199 N -4.35 0.98 0.22 -3.56 2.96 -0.73 -3.47 118.68 110.72 1bda s LEU 199 Ca 0.46 -2.03 0.03 0.00 -0.22 0.00 0.00 54.13 52.38 1bda s LEU 199 Cb -0.10 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.14 1bda s LEU 199 CO 0.34 -0.33 0.36 0.68 -1.32 0.00 0.00 176.35 176.08 1bda s VAL 200 N 1.24 5.26 0.03 1.68 -7.23 -0.85 -2.45 120.40 118.08 1bda s VAL 200 Ca 0.16 -0.80 0.02 0.00 -1.81 0.00 0.00 61.98 59.55 1bda s VAL 200 Cb -0.22 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 32.89 1bda s VAL 200 CO -0.06 -0.27 -0.06 0.00 -0.31 0.00 0.00 175.10 174.39 1bda s LEU 202 N -1.25 4.54 -0.30 0.00 2.96 -1.26 -0.59 118.68 122.78 1bda s LEU 202 Ca -0.09 2.28 -0.09 0.00 -0.22 0.00 0.00 54.13 56.02 1bda s LEU 202 Cb -0.08 -3.63 0.16 0.00 0.50 0.00 0.00 46.19 43.14 1bda s LEU 202 CO 0.00 -0.17 0.75 0.21 -1.32 0.00 0.00 176.35 175.82 1bda s ASN 203 N -0.80 -1.02 -0.82 3.68 2.47 0.72 -4.88 114.94 114.29 1bda s ASN 203 Ca 0.45 1.09 -0.00 0.00 0.42 0.00 0.00 52.86 54.82 1bda s ASN 203 Cb -0.32 2.04 -0.00 0.00 -1.45 0.00 0.00 41.25 41.51 1bda s ASN 203 CO 0.41 -0.19 0.69 0.47 -3.72 0.00 0.00 177.10 174.76 1bda n ASP 204 N 5.34 -2.30 0.00 -4.21 8.00 -1.26 -2.85 116.55 119.27 1bda n ASP 204 Ca -0.08 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 54.99 1bda n ASP 204 Cb 0.51 -3.72 0.00 0.00 -0.02 0.00 0.00 41.12 37.89 1bda n ASP 204 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bda n GLY 205 N -1.11 0.00 3.53 0.44 0.00 -1.26 -4.88 105.19 101.91 1bda n GLY 205 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1bda n GLY 205 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bda s ARG 206 N -0.99 1.79 -0.20 1.61 1.81 -1.13 -4.96 118.95 116.88 1bda s ARG 206 Ca 0.00 -1.99 -0.17 0.00 -1.72 0.00 0.00 55.73 51.85 1bda s ARG 206 Cb 0.00 -1.30 -0.04 0.00 -0.45 0.00 0.00 34.95 33.17 1bda s ARG 206 CO 0.00 -0.08 0.45 -1.64 -0.68 0.00 0.00 175.30 173.35 1bda s MET 207 N -3.78 4.17 -0.08 3.54 -1.94 -0.73 -0.20 119.30 120.29 1bda s MET 207 Ca 0.35 0.29 0.05 0.00 -1.71 0.00 0.00 55.69 54.66 1bda s MET 207 Cb 0.08 -3.55 -0.01 0.00 2.01 0.00 0.00 34.83 33.36 1bda s MET 207 CO 0.16 -0.10 -0.23 0.99 -0.01 0.00 0.00 175.02 175.84 1bda s THR 208 N 1.49 2.23 0.15 2.05 2.01 0.24 -3.19 115.64 120.63 1bda s THR 208 Ca 0.21 -0.99 -0.31 0.00 0.31 0.00 0.00 61.69 60.91 1bda s THR 208 Cb -0.15 -1.84 -0.09 0.00 0.01 0.00 0.00 72.50 70.43 1bda s THR 208 CO 0.09 0.56 1.52 -0.22 -0.69 0.00 0.00 174.62 175.88 1bda s LEU 209 N 0.02 4.37 -0.03 4.42 2.96 -0.06 -1.88 118.68 128.48 1bda s LEU 209 Ca -0.08 2.53 0.00 0.00 -0.22 0.00 0.00 54.13 56.36 1bda s LEU 209 Cb -0.15 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1bda s LEU 209 CO 0.05 -0.77 -0.03 0.52 -1.32 0.00 0.00 176.35 174.80 1bda n VAL 210 N 3.98 0.17 -3.90 1.68 0.31 -1.02 -3.43 118.33 116.11 1bda n VAL 210 Ca 0.13 -0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.31 1bda n VAL 210 Cb 0.40 -0.61 -0.07 0.00 -0.91 0.00 0.00 33.84 32.64 1bda n VAL 210 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1bda s GLY 211 N -4.29 0.26 -0.04 2.92 0.00 -1.08 -1.48 107.32 103.62 1bda s GLY 211 Ca -0.04 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 43.97 1bda s GLY 211 CO 0.07 -0.82 -0.10 -0.42 0.00 0.00 0.00 173.10 171.82 1bda s ILE 212 N -3.91 3.41 -0.22 0.90 1.01 -0.81 -1.78 121.20 119.80 1bda s ILE 212 Ca 0.10 -0.66 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 1bda s ILE 212 Cb 0.04 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1bda s ILE 212 CO -0.06 0.54 1.86 -0.63 0.00 0.00 0.00 174.94 176.65 1bda s ILE 213 N -0.83 3.38 -0.01 2.92 1.01 -0.89 -0.49 121.20 126.29 1bda s ILE 213 Ca 0.13 0.42 -0.05 0.00 0.00 0.00 0.00 60.65 61.15 1bda s ILE 213 Cb -0.11 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 1bda s ILE 213 CO 0.02 -0.23 -0.09 -0.24 0.00 0.00 0.00 174.94 174.41 1bda n SER 214 N 9.69 0.86 -3.74 3.58 2.88 -0.98 -2.60 113.62 123.31 1bda n SER 214 Ca 0.23 0.13 -0.08 0.00 -1.33 0.00 0.00 58.87 57.82 1bda n SER 214 Cb 0.45 -0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 63.50 1bda n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1bda s TRP 215 N -1.81 -0.04 0.00 0.66 1.48 -0.61 -4.94 118.94 113.69 1bda s TRP 215 Ca -0.07 -0.43 0.00 0.00 -1.06 0.00 0.00 56.10 54.53 1bda s TRP 215 Cb 0.01 0.63 0.00 0.00 -1.16 0.00 0.00 33.47 32.95 1bda s TRP 215 CO 0.11 -1.25 0.00 0.41 -4.06 0.00 0.00 176.95 172.16 1bda n GLY 216 N -0.46 1.60 3.56 3.67 0.00 -1.26 -0.19 105.19 112.11 1bda n GLY 216 Ca -0.04 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 1bda n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bda s LEU 217 N 0.00 3.05 0.00 0.99 1.43 -1.26 -4.74 118.68 118.15 1bda s LEU 217 Ca 0.00 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1bda s LEU 217 Cb 0.00 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1bda s LEU 217 CO 0.00 -3.24 0.00 0.61 0.23 0.00 0.00 176.35 173.95 1bda n GLY 219 N 6.71 1.79 3.00 -3.19 0.00 -1.26 -4.45 105.19 107.78 1bda n GLY 219 Ca 0.42 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 1bda n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bda n GLY 221 N 4.24 1.11 3.76 0.00 0.00 -1.26 -4.73 105.19 108.31 1bda n GLY 221 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1bda n GLY 221 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1bda n GLN 221 N -1.65 2.46 -1.74 1.61 7.27 -1.26 -4.70 117.38 119.36 1bda n GLN 221 Ca 0.00 0.87 -0.42 0.00 0.07 0.00 0.00 57.00 57.52 1bda n GLN 221 Cb 0.00 -2.59 -0.02 0.00 2.41 0.00 0.00 30.24 30.05 1bda n GLN 221 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1bda n LYS 222 N 0.33 2.72 -0.63 3.69 5.02 -1.26 -2.18 118.16 125.84 1bda n LYS 222 Ca 0.03 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 1bda n LYS 222 Cb 0.39 -2.76 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 1bda n LYS 222 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1bda n ASP 223 N 2.40 -0.20 -4.35 4.39 8.00 -1.26 -4.95 116.55 120.58 1bda n ASP 223 Ca 0.10 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 1bda n ASP 223 Cb 0.36 -1.94 -0.12 0.00 -0.02 0.00 0.00 41.12 39.41 1bda n ASP 223 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bda s VAL 224 N -1.70 4.14 1.03 2.53 1.01 -0.92 -5.05 120.40 121.43 1bda s VAL 224 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1bda s VAL 224 Cb 0.00 -3.20 0.21 0.00 0.00 0.00 0.00 36.38 33.39 1bda s VAL 224 CO 0.00 -0.02 1.17 -2.16 0.00 0.00 0.00 175.10 174.09 1bda s PRO 225 N 1.51 0.17 0.16 2.72 0.04 -1.26 -4.55 135.00 133.79 1bda s PRO 225 Ca 0.02 0.01 0.05 0.00 0.04 0.00 0.00 61.00 61.12 1bda s PRO 225 Cb -0.18 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1bda s PRO 225 CO 0.04 -2.80 0.15 0.20 0.04 0.00 0.00 177.00 174.63 1bda s GLY 226 N -4.15 1.74 -0.21 0.56 0.00 -0.91 -4.57 107.32 99.78 1bda s GLY 226 Ca 0.69 -1.18 -0.07 0.00 0.00 0.00 0.00 44.72 44.16 1bda s GLY 226 CO 0.54 -1.19 0.05 0.14 0.00 0.00 0.00 173.10 172.65 1bda s VAL 227 N -1.72 4.39 0.29 1.40 1.01 0.73 -2.42 120.40 124.09 1bda s VAL 227 Ca 0.31 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 62.24 1bda s VAL 227 Cb -0.10 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1bda s VAL 227 CO 0.24 0.41 -0.13 -0.31 0.00 0.00 0.00 175.10 175.31 1bda s TYR 228 N 0.98 2.40 -0.11 5.22 1.51 0.12 -1.57 117.35 125.91 1bda s TYR 228 Ca 0.03 -0.35 -0.21 0.00 -1.01 0.00 0.00 57.07 55.53 1bda s TYR 228 Cb -0.14 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 1bda s TYR 228 CO 0.03 0.66 0.61 0.99 -1.11 0.00 0.00 175.55 176.72 1bda s THR 229 N -2.49 5.09 -0.88 -0.71 2.01 0.35 0.34 115.64 119.35 1bda s THR 229 Ca 0.31 1.22 -0.25 0.00 0.31 0.00 0.00 61.69 63.29 1bda s THR 229 Cb -0.04 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 1bda s THR 229 CO 0.17 0.25 2.02 -0.54 -0.69 0.00 0.00 174.62 175.83 1bda s LYS 230 N 0.93 2.40 0.31 4.92 1.02 0.13 -1.92 119.74 127.53 1bda s LYS 230 Ca 0.32 -0.14 0.07 0.00 0.02 0.00 0.00 55.97 56.24 1bda s LYS 230 Cb -0.16 -5.00 0.84 0.00 -0.52 0.00 0.00 37.83 32.98 1bda s LYS 230 CO 0.14 -3.54 1.70 0.28 -0.92 0.00 0.00 175.35 173.01 1bda h VAL 231 N 7.33 0.47 -0.41 3.17 2.07 -1.58 -0.72 116.25 126.58 1bda h VAL 231 Ca 0.07 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1bda h VAL 231 Cb 1.01 -0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 1bda h VAL 231 CO 1.18 0.08 -0.16 0.71 0.02 0.00 0.00 177.57 179.40 1bda h THR 232 N 0.46 0.48 -0.69 2.57 1.35 -1.88 -0.66 112.91 114.54 1bda h THR 232 Ca 0.62 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 66.58 1bda h THR 232 Cb 1.21 0.48 -0.04 0.00 -1.73 0.00 0.00 68.15 68.06 1bda h THR 232 CO -0.52 0.00 0.46 0.78 -0.25 0.00 0.00 175.52 175.98 1bda h ASN 233 N -0.08 0.49 -0.56 5.36 4.21 -1.52 -1.55 115.58 121.94 1bda h ASN 233 Ca 0.20 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1bda h ASN 233 Cb 0.38 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1bda h ASN 233 CO -0.46 0.29 0.00 -1.22 -1.29 0.00 0.00 177.43 174.75 1bda n TYR 234 N -4.48 1.04 -0.07 1.19 4.02 -0.31 -4.56 117.16 113.98 1bda n TYR 234 Ca 0.11 -0.45 -0.10 0.00 -0.01 0.00 0.00 57.90 57.46 1bda n TYR 234 Cb 0.36 -0.12 -0.04 0.00 -0.02 0.00 0.00 39.34 39.52 1bda n TYR 234 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1bda h LEU 235 N 3.40 -1.23 -0.89 7.72 3.38 -0.66 0.52 115.31 127.55 1bda h LEU 235 Ca 0.00 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1bda h LEU 235 Cb 1.04 0.54 -0.05 0.00 0.09 0.00 0.00 40.66 42.28 1bda h LEU 235 CO 0.11 -0.37 0.59 -2.24 0.09 0.00 0.00 178.44 176.62 1bda h ASP 236 N -0.36 1.01 -0.63 -0.43 3.04 -1.81 0.85 116.42 118.08 1bda h ASP 236 Ca 0.13 -0.02 -0.01 0.00 -3.24 0.00 0.00 57.03 53.88 1bda h ASP 236 Cb 0.58 -0.25 -0.03 0.00 -1.04 0.00 0.00 39.33 38.59 1bda h ASP 236 CO -0.49 0.72 0.34 -0.25 -2.04 0.00 0.00 179.24 177.53 1bda h TRP 237 N 1.19 0.87 -0.14 4.15 7.01 -1.67 0.28 115.95 127.64 1bda h TRP 237 Ca 0.33 -0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.25 1bda h TRP 237 Cb -0.12 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.65 1bda h TRP 237 CO -0.01 0.63 -0.16 0.82 -2.79 0.00 0.00 178.44 176.93 1bda h ILE 238 N 0.86 1.19 0.11 2.65 2.04 -0.32 -1.73 117.51 122.31 1bda h ILE 238 Ca 0.22 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1bda h ILE 238 Cb 0.05 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1bda h ILE 238 CO -0.03 0.26 -0.05 -0.09 0.00 0.00 0.00 178.15 178.24 1bda h ARG 239 N 0.21 -0.14 -0.56 2.37 9.65 0.13 -3.30 114.38 122.73 1bda h ARG 239 Ca 0.04 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.04 1bda h ARG 239 Cb 0.42 0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 28.93 1bda h ARG 239 CO 0.03 -0.09 -0.03 0.22 2.80 0.00 0.00 179.97 182.89 1bda h ASP 240 N -0.38 -0.30 0.00 -3.80 3.58 -0.61 -0.86 116.42 114.04 1bda h ASP 240 Ca -0.01 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1bda h ASP 240 Cb 0.11 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1bda h ASP 240 CO 0.02 -0.12 0.16 0.59 -2.88 0.00 0.00 179.24 177.02 1bda n ASN 241 N -5.29 0.33 -4.40 2.28 3.02 -0.65 -3.47 115.26 107.09 1bda n ASN 241 Ca 0.07 0.58 -0.45 0.00 -0.03 0.00 0.00 54.58 54.76 1bda n ASN 241 Cb 0.31 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 38.89 1bda n ASN 241 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1bda s MET 242 N -3.27 3.94 -0.19 3.52 -1.94 -0.33 -4.99 119.30 116.04 1bda s MET 242 Ca -0.01 -2.58 -0.05 0.00 -1.71 0.00 0.00 55.69 51.34 1bda s MET 242 Cb 0.04 -4.77 -0.02 0.00 2.01 0.00 0.00 34.83 32.08 1bda s MET 242 CO 0.12 -1.53 -0.00 1.03 -0.01 0.00 0.00 175.02 174.62 1bda s ARG 243 N 0.72 3.63 0.00 2.03 1.81 -1.23 -5.04 118.95 120.88 1bda s ARG 243 Ca 0.33 -0.52 0.21 0.00 -1.72 0.00 0.00 55.73 54.03 1bda s ARG 243 Cb -0.07 -3.06 1.27 0.00 -0.45 0.00 0.00 34.95 32.64 1bda s ARG 243 CO -0.06 0.04 1.65 -2.30 -0.68 0.00 0.00 175.30 173.95