#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1do9 s LYS 2 N 0.00 -0.89 0.46 0.11 0.00 -1.26 -4.91 119.74 113.25 1do9 s LYS 2 Ca 0.00 0.71 0.31 0.00 0.00 0.00 0.00 55.97 56.99 1do9 s LYS 2 Cb 0.00 -1.57 1.38 0.00 0.00 0.00 0.00 37.83 37.64 1do9 s LYS 2 CO 0.00 -3.67 1.93 0.22 0.00 0.00 0.00 175.35 173.83 1do9 h ASP 3 N -2.58 0.00 0.00 0.03 1.82 -2.06 -3.44 116.42 110.19 1do9 h ASP 3 Ca -0.61 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.03 1do9 h ASP 3 Cb 1.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.35 1do9 h ASP 3 CO 0.52 0.00 0.00 0.52 -1.61 0.00 0.00 179.24 178.67 1do9 n VAL 4 N -2.76 0.00 0.00 2.25 0.31 -1.26 -5.12 118.33 111.75 1do9 n VAL 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1do9 n VAL 4 Cb 0.23 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1do9 n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1do9 n LYS 5 N 0.00 0.00 -2.87 5.55 4.01 -1.26 -4.99 118.16 118.60 1do9 n LYS 5 Ca 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.79 1do9 n LYS 5 Cb 0.00 -0.20 -0.01 0.00 -0.51 0.00 0.00 35.03 34.32 1do9 n LYS 5 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1do9 n TYR 6 N -2.10 -2.60 -4.10 2.13 4.02 -1.26 -4.90 117.16 108.35 1do9 n TYR 6 Ca 0.00 1.24 -0.31 0.00 -0.01 0.00 0.00 57.90 58.82 1do9 n TYR 6 Cb 0.00 -2.89 -0.07 0.00 -0.02 0.00 0.00 39.34 36.36 1do9 n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1do9 s TYR 7 N -1.19 3.17 0.31 -0.72 2.02 -0.21 -4.82 117.35 115.92 1do9 s TYR 7 Ca -0.04 0.10 -0.09 0.00 -0.37 0.00 0.00 57.07 56.67 1do9 s TYR 7 Cb 0.00 -1.64 -0.06 0.00 -0.40 0.00 0.00 41.96 39.85 1do9 s TYR 7 CO 0.50 0.51 0.63 0.95 -1.57 0.00 0.00 175.55 176.57 1do9 s THR 8 N -1.29 4.90 0.24 -0.71 -4.23 -1.26 -1.25 115.64 112.03 1do9 s THR 8 Ca 0.26 0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 61.13 1do9 s THR 8 Cb -0.12 -3.69 0.21 0.00 1.34 0.00 0.00 72.50 70.25 1do9 s THR 8 CO 0.18 -0.30 1.70 -0.07 -0.54 0.00 0.00 174.62 175.60 1do9 h LEU 9 N 1.85 0.10 -0.75 4.79 -0.00 -1.97 0.22 115.31 119.56 1do9 h LEU 9 Ca -0.47 0.13 0.17 0.00 -0.00 0.00 0.00 57.88 57.70 1do9 h LEU 9 Cb 1.18 0.15 -0.12 0.00 -0.00 0.00 0.00 40.66 41.87 1do9 h LEU 9 CO 0.66 0.02 0.10 -0.33 -0.00 0.00 0.00 178.44 178.89 1do9 h GLU 10 N 0.33 0.17 -0.38 1.13 5.08 -1.95 -0.80 114.58 118.15 1do9 h GLU 10 Ca 0.40 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 1do9 h GLU 10 Cb 0.64 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1do9 h GLU 10 CO -0.45 0.12 0.17 0.93 -1.00 0.00 0.00 179.01 178.77 1do9 h GLU 11 N 0.18 0.56 -1.00 2.33 4.39 -0.95 -1.51 114.58 118.59 1do9 h GLU 11 Ca 0.42 -0.09 0.07 0.00 0.34 0.00 0.00 59.36 60.10 1do9 h GLU 11 Cb 0.75 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.23 1do9 h GLU 11 CO -0.59 0.51 0.64 0.82 -1.16 0.00 0.00 179.01 179.24 1do9 h ILE 12 N 0.47 1.08 -0.08 3.13 5.03 -0.87 0.48 117.51 126.76 1do9 h ILE 12 Ca 0.13 -0.40 0.00 0.00 -0.12 0.00 0.00 64.86 64.47 1do9 h ILE 12 Cb 0.15 -0.18 0.00 0.00 -3.03 0.00 0.00 36.82 33.76 1do9 h ILE 12 CO -0.01 0.21 0.00 0.29 -0.68 0.00 0.00 178.15 177.96 1do9 n LYS 13 N -4.50 1.39 -0.01 2.37 4.01 -0.43 -2.68 118.16 118.30 1do9 n LYS 13 Ca 0.15 -0.37 0.00 0.00 -0.51 0.00 0.00 58.31 57.59 1do9 n LYS 13 Cb 0.19 -1.42 0.00 0.00 -0.51 0.00 0.00 35.03 33.29 1do9 n LYS 13 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1do9 n LYS 14 N -0.03 2.19 -0.11 1.97 5.02 0.14 -4.66 118.16 122.68 1do9 n LYS 14 Ca 0.03 -1.29 0.10 0.00 -2.02 0.00 0.00 58.31 55.13 1do9 n LYS 14 Cb 0.27 -0.89 0.15 0.00 -0.02 0.00 0.00 35.03 34.54 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1do9 n HIS 15 N -0.41 0.03 -1.26 2.13 8.25 -1.09 -4.86 115.22 118.01 1do9 n HIS 15 Ca 0.01 -1.03 -0.31 0.00 -0.26 0.00 0.00 57.72 56.13 1do9 n HIS 15 Cb 0.33 -0.16 -0.07 0.00 1.12 0.00 0.00 29.99 31.21 1do9 n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1do9 n ASN 16 N -1.39 7.75 -4.30 0.41 0.23 -1.26 -3.22 115.26 113.48 1do9 n ASN 16 Ca 0.16 -2.58 -0.16 0.00 -0.53 0.00 0.00 54.58 51.48 1do9 n ASN 16 Cb 0.65 -1.51 -0.10 0.00 -2.08 0.00 0.00 39.78 36.74 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1do9 s HIS 17 N 1.64 1.43 -1.63 -2.53 3.76 -1.26 -5.02 115.29 111.69 1do9 s HIS 17 Ca 0.68 -0.98 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 1do9 s HIS 17 Cb 0.22 -0.82 0.00 0.00 1.11 0.00 0.00 32.58 33.09 1do9 s HIS 17 CO -0.05 -0.12 0.44 0.43 -0.85 0.00 0.00 174.74 174.59 1do9 n SER 18 N -0.36 0.20 0.00 1.40 7.64 -1.26 -2.36 113.62 118.89 1do9 n SER 18 Ca -0.05 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1do9 n SER 18 Cb 0.64 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1do9 n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1do9 n LYS 19 N -0.23 0.00 -0.90 1.43 3.00 -1.26 -4.85 118.16 115.34 1do9 n LYS 19 Ca 0.00 -0.44 -0.02 0.00 -0.00 0.00 0.00 58.31 57.85 1do9 n LYS 19 Cb 0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 35.03 34.57 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1do9 n SER 20 N 0.00 -0.12 -4.33 3.14 7.64 -1.06 -4.99 113.62 113.90 1do9 n SER 20 Ca 0.00 -1.74 -0.31 0.00 1.01 0.00 0.00 58.87 57.83 1do9 n SER 20 Cb 0.48 0.00 -0.18 0.00 -1.01 0.00 0.00 64.21 63.50 1do9 n SER 20 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1do9 n THR 21 N 0.11 0.00 -3.52 0.44 -1.04 -0.99 -4.59 114.28 104.69 1do9 n THR 21 Ca -0.08 -0.22 -0.22 0.00 -2.04 0.00 0.00 64.05 61.48 1do9 n THR 21 Cb 0.75 -0.26 0.01 0.00 -1.82 0.00 0.00 70.33 69.01 1do9 n THR 21 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1do9 s TRP 22 N 4.64 1.93 0.02 -1.42 0.52 -1.20 -0.73 118.94 122.70 1do9 s TRP 22 Ca 1.29 -0.69 -0.14 0.00 0.02 0.00 0.00 56.10 56.58 1do9 s TRP 22 Cb -1.03 -2.09 0.05 0.00 -1.15 0.00 0.00 33.47 29.25 1do9 s TRP 22 CO 0.51 -0.56 0.64 1.47 0.02 0.00 0.00 176.95 179.03 1do9 n LEU 23 N -1.84 0.00 -3.96 2.99 -0.00 -1.14 -0.76 117.00 112.29 1do9 n LEU 23 Ca 0.05 -0.40 -0.31 0.00 -0.00 0.00 0.00 56.01 55.35 1do9 n LEU 23 Cb 0.63 1.16 -0.15 0.00 -0.00 0.00 0.00 43.42 45.05 1do9 n LEU 23 CO 0.40 -0.13 -0.40 -0.63 -0.00 0.00 0.00 177.39 176.63 1do9 s ILE 24 N -2.15 1.74 -0.52 1.47 -1.09 -0.14 -2.31 121.20 118.19 1do9 s ILE 24 Ca 0.15 -1.55 -0.02 0.00 -2.23 0.00 0.00 60.65 57.00 1do9 s ILE 24 Cb -0.01 -2.06 0.14 0.00 -1.58 0.00 0.00 42.46 38.95 1do9 s ILE 24 CO 0.01 -0.25 0.31 -0.76 -1.23 0.00 0.00 174.94 173.02 1do9 s LEU 25 N 1.26 5.11 0.00 2.97 1.43 -1.04 -2.46 118.68 125.95 1do9 s LEU 25 Ca -0.01 -2.53 0.00 0.00 -1.03 0.00 0.00 54.13 50.56 1do9 s LEU 25 Cb -0.19 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1do9 s LEU 25 CO -0.08 -0.42 0.00 1.41 0.23 0.00 0.00 176.35 177.49 1do9 n HIS 26 N 3.90 0.00 -3.79 0.29 8.25 -1.26 -4.07 115.22 118.53 1do9 n HIS 26 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 1do9 n HIS 26 Cb 0.39 -1.97 -0.06 0.00 1.12 0.00 0.00 29.99 29.46 1do9 n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1do9 n HIS 27 N -1.21 -0.88 -3.97 4.41 8.25 -1.26 -4.92 115.22 115.64 1do9 n HIS 27 Ca 0.00 0.50 -0.08 0.00 -0.26 0.00 0.00 57.72 57.87 1do9 n HIS 27 Cb 0.45 -1.59 -0.09 0.00 1.12 0.00 0.00 29.99 29.88 1do9 n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1do9 s LYS 28 N -5.83 0.71 -0.18 -0.41 1.02 -1.26 -3.94 119.74 109.85 1do9 s LYS 28 Ca 0.44 -1.04 -0.07 0.00 0.02 0.00 0.00 55.97 55.31 1do9 s LYS 28 Cb -0.26 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 1do9 s LYS 28 CO 0.76 -0.18 0.05 0.08 -0.92 0.00 0.00 175.35 175.14 1do9 s VAL 29 N -3.72 4.71 0.25 3.17 1.01 -1.21 -2.50 120.40 122.11 1do9 s VAL 29 Ca 0.04 -0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.08 1do9 s VAL 29 Cb 0.05 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1do9 s VAL 29 CO -0.10 0.46 -0.18 -0.31 0.00 0.00 0.00 175.10 174.97 1do9 s TYR 30 N 0.40 2.35 -0.25 5.22 1.51 -0.98 -1.61 117.35 123.99 1do9 s TYR 30 Ca 0.02 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1do9 s TYR 30 Cb -0.13 -1.06 0.07 0.00 -0.11 0.00 0.00 41.96 40.73 1do9 s TYR 30 CO 0.00 0.65 -0.03 0.34 -1.11 0.00 0.00 175.55 175.41 1do9 s ASP 31 N -3.31 3.98 0.00 2.29 -1.08 -0.18 -2.89 116.67 115.49 1do9 s ASP 31 Ca 0.28 -1.34 0.22 0.00 -0.52 0.00 0.00 52.55 51.19 1do9 s ASP 31 Cb -0.06 -1.20 0.64 0.00 -1.46 0.00 0.00 42.92 40.84 1do9 s ASP 31 CO 0.14 -0.27 1.53 0.18 0.52 0.00 0.00 175.17 177.28 1do9 n LEU 32 N 4.64 3.94 -0.18 -1.34 4.77 0.09 -4.52 117.00 124.40 1do9 n LEU 32 Ca -0.09 -1.99 -0.03 0.00 -0.03 0.00 0.00 56.01 53.87 1do9 n LEU 32 Cb 0.44 -0.48 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1do9 n LEU 32 CO 0.18 0.98 1.01 0.74 -1.33 0.00 0.00 177.39 178.97 1do9 h THR 33 N 4.26 0.90 -0.00 -5.08 2.02 -1.84 0.31 112.91 113.47 1do9 h THR 33 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1do9 h THR 33 Cb 0.99 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1do9 h THR 33 CO 0.00 0.08 -0.01 1.17 0.37 0.00 0.00 175.52 177.14 1do9 n LYS 34 N -4.92 1.19 0.00 6.66 0.00 -1.26 -3.36 118.16 116.46 1do9 n LYS 34 Ca 0.06 -0.32 0.04 0.00 0.00 0.00 0.00 58.31 58.09 1do9 n LYS 34 Cb 0.17 -1.49 -0.04 0.00 0.00 0.00 0.00 35.03 33.67 1do9 n LYS 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1do9 n PHE 35 N -0.63 0.00 -0.17 5.64 7.35 -0.18 -4.59 117.46 124.88 1do9 n PHE 35 Ca 0.22 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.90 1do9 n PHE 35 Cb 0.20 0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.10 1do9 n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1do9 h LEU 36 N 0.14 -0.16 -2.62 -2.13 3.38 -0.48 -0.44 115.31 113.00 1do9 h LEU 36 Ca 0.00 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1do9 h LEU 36 Cb 0.23 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1do9 h LEU 36 CO 0.00 -0.05 0.11 -0.62 0.09 0.00 0.00 178.44 177.97 1do9 n GLU 37 N -5.21 2.71 0.00 1.13 -0.58 -1.26 -4.00 120.64 113.43 1do9 n GLU 37 Ca 0.07 -1.71 0.00 0.00 -0.42 0.00 0.00 57.16 55.09 1do9 n GLU 37 Cb 0.29 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 1do9 n GLU 37 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1do9 n GLU 38 N 0.12 2.35 -0.74 3.49 -0.58 -0.26 -5.07 120.64 119.95 1do9 n GLU 38 Ca 0.21 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.64 1do9 n GLU 38 Cb 0.89 -0.83 0.16 0.00 -0.57 0.00 0.00 31.44 31.09 1do9 n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1do9 s HIS 39 N -1.50 1.66 0.21 -0.32 2.46 -0.71 -4.93 115.29 112.16 1do9 s HIS 39 Ca 0.00 1.78 0.05 0.00 0.47 0.00 0.00 55.06 57.36 1do9 s HIS 39 Cb 0.00 -3.34 0.15 0.00 -0.13 0.00 0.00 32.58 29.25 1do9 s HIS 39 CO 0.00 -2.78 1.48 -1.00 -2.47 0.00 0.00 174.74 169.97 1do9 h PRO 40 N -1.80 0.18 0.00 2.88 0.13 -1.94 -3.40 132.00 128.06 1do9 h PRO 40 Ca -0.43 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1do9 h PRO 40 Cb 1.27 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1do9 h PRO 40 CO 0.42 0.83 0.00 0.41 -0.23 0.00 0.00 178.00 179.43 1do9 n GLY 41 N 0.54 0.86 3.09 1.56 0.00 -1.26 -5.10 105.19 104.88 1do9 n GLY 41 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1do9 n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1do9 s GLY 42 N 0.00 1.33 -0.05 -0.02 0.00 -1.26 -4.92 107.32 102.40 1do9 s GLY 42 Ca 0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.54 1do9 s GLY 42 CO 0.00 0.37 -0.06 -1.84 0.00 0.00 0.00 173.10 171.57 1do9 n GLU 43 N 4.65 0.12 -0.06 2.90 -0.00 -1.26 -4.51 120.64 122.48 1do9 n GLU 43 Ca -0.19 0.04 -0.09 0.00 -0.00 0.00 0.00 57.16 56.92 1do9 n GLU 43 Cb 0.50 -0.88 0.06 0.00 -0.00 0.00 0.00 31.44 31.12 1do9 n GLU 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1do9 h GLU 44 N -0.11 0.74 -0.73 3.44 4.81 -1.91 -0.56 114.58 120.26 1do9 h GLU 44 Ca -0.13 -0.35 0.11 0.00 -0.13 0.00 0.00 59.36 58.86 1do9 h GLU 44 Cb 1.15 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 1do9 h GLU 44 CO -0.05 0.97 0.48 -0.39 -0.73 0.00 0.00 179.01 179.29 1do9 h VAL 45 N 0.62 0.89 0.00 0.32 -1.51 -1.95 0.32 116.25 114.94 1do9 h VAL 45 Ca 0.06 -0.19 -0.05 0.00 -1.23 0.00 0.00 66.70 65.29 1do9 h VAL 45 Cb 0.87 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 1do9 h VAL 45 CO 0.08 0.10 -0.26 -0.07 -1.23 0.00 0.00 177.57 176.19 1do9 h LEU 46 N 0.56 0.00 0.00 4.19 3.38 -1.38 -2.73 115.31 119.33 1do9 h LEU 46 Ca 0.34 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.06 1do9 h LEU 46 Cb 0.58 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1do9 h LEU 46 CO -0.12 0.26 -1.42 -0.09 0.09 0.00 0.00 178.44 177.16 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.54 -3.00 114.38 114.40 1do9 h ARG 47 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1do9 h ARG 47 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1do9 h ARG 47 CO 0.03 0.69 0.00 0.39 -1.51 0.00 0.00 179.97 179.58 1do9 n GLU 48 N -3.17 0.16 -0.05 0.20 -0.58 0.77 -1.63 120.64 116.35 1do9 n GLU 48 Ca -0.10 0.41 0.02 0.00 -0.42 0.00 0.00 57.16 57.07 1do9 n GLU 48 Cb 1.00 -1.81 0.03 0.00 -0.57 0.00 0.00 31.44 30.09 1do9 n GLU 48 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1do9 n GLN 49 N -2.11 1.96 -1.66 3.49 1.13 -1.16 -5.04 117.38 113.99 1do9 n GLN 49 Ca 0.02 -1.56 -0.43 0.00 -1.94 0.00 0.00 57.00 53.08 1do9 n GLN 49 Cb 0.20 -1.01 -0.01 0.00 0.11 0.00 0.00 30.24 29.54 1do9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1do9 n ALA 50 N -0.61 0.74 -1.55 -1.58 0.00 -0.64 -0.70 120.51 116.18 1do9 n ALA 50 Ca 0.04 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.72 1do9 n ALA 50 Cb 0.41 -2.17 -0.05 0.00 0.00 0.00 0.00 19.45 17.63 1do9 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1do9 n GLY 51 N 1.06 1.00 3.36 0.00 0.00 0.06 -4.88 105.19 105.78 1do9 n GLY 51 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1do9 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1do9 s GLY 52 N -2.12 2.01 -0.63 -0.02 0.00 0.12 -4.56 107.32 102.13 1do9 s GLY 52 Ca 0.00 -1.76 -0.23 0.00 0.00 0.00 0.00 44.72 42.72 1do9 s GLY 52 CO 0.00 -1.63 0.98 -0.35 0.00 0.00 0.00 173.10 172.09 1do9 s ASP 53 N -3.39 6.22 0.00 1.64 -1.08 -1.26 -0.97 116.67 117.84 1do9 s ASP 53 Ca 0.35 -0.75 0.25 0.00 -0.52 0.00 0.00 52.55 51.88 1do9 s ASP 53 Cb 0.06 -2.43 0.31 0.00 -1.46 0.00 0.00 42.92 39.40 1do9 s ASP 53 CO 0.16 -1.40 1.33 0.00 0.52 0.00 0.00 175.17 175.77 1do9 n ALA 54 N 7.75 2.48 0.06 3.66 0.00 -1.03 -4.34 120.51 129.08 1do9 n ALA 54 Ca -0.02 -0.66 0.13 0.00 0.00 0.00 0.00 53.44 52.90 1do9 n ALA 54 Cb 0.46 -0.86 0.61 0.00 0.00 0.00 0.00 19.45 19.66 1do9 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1do9 h THR 55 N 4.38 0.88 -0.08 0.00 2.02 -1.89 -0.83 112.91 117.40 1do9 h THR 55 Ca 0.00 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1do9 h THR 55 Cb 0.93 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1do9 h THR 55 CO 0.00 0.02 -0.07 -0.33 0.37 0.00 0.00 175.52 175.52 1do9 h GLU 56 N 0.14 -0.08 0.31 6.66 5.08 -1.93 -0.91 114.58 123.85 1do9 h GLU 56 Ca 0.17 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1do9 h GLU 56 Cb 0.52 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1do9 h GLU 56 CO -0.02 -0.05 -0.15 -0.91 -1.00 0.00 0.00 179.01 176.87 1do9 h ASN 57 N -0.08 -0.35 -0.98 1.42 4.21 -1.51 -0.15 115.58 118.14 1do9 h ASN 57 Ca 0.06 -0.17 0.19 0.00 1.21 0.00 0.00 56.30 57.59 1do9 h ASN 57 Cb 0.16 0.09 -0.18 0.00 -1.12 0.00 0.00 38.32 37.27 1do9 h ASN 57 CO -0.13 -0.00 -0.27 0.15 -1.29 0.00 0.00 177.43 175.89 1do9 h PHE 58 N -0.74 -0.63 0.10 1.19 3.04 -1.21 -1.16 116.94 117.53 1do9 h PHE 58 Ca -0.04 0.09 -0.29 0.00 3.98 0.00 0.00 57.97 61.71 1do9 h PHE 58 Cb 0.50 0.43 0.03 0.00 2.56 0.00 0.00 35.95 39.46 1do9 h PHE 58 CO 0.02 -0.42 -1.21 0.93 -2.02 0.00 0.00 178.31 175.61 1do9 h GLU 59 N -0.00 0.63 -0.78 1.11 4.39 -1.08 -0.97 114.58 117.87 1do9 h GLU 59 Ca 0.45 -0.81 0.08 0.00 0.34 0.00 0.00 59.36 59.42 1do9 h GLU 59 Cb 0.69 0.26 -0.07 0.00 -0.10 0.00 0.00 28.75 29.54 1do9 h GLU 59 CO -1.01 1.36 0.44 -0.44 -1.16 0.00 0.00 179.01 178.21 1do9 h ASP 60 N 0.29 0.64 1.17 1.42 3.32 -0.47 -0.53 116.42 122.25 1do9 h ASP 60 Ca -0.18 0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.74 1do9 h ASP 60 Cb 1.88 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 41.32 1do9 h ASP 60 CO 0.23 0.38 -0.84 0.58 -1.72 0.00 0.00 179.24 177.87 1do9 h VAL 61 N 0.76 1.32 0.00 -1.35 2.07 -1.29 -3.48 116.25 114.28 1do9 h VAL 61 Ca 0.36 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1do9 h VAL 61 Cb 0.29 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1do9 h VAL 61 CO -0.22 0.75 0.00 0.61 0.02 0.00 0.00 177.57 178.73 1do9 n GLY 62 N 1.31 3.06 2.62 2.17 0.00 -0.21 -4.97 105.19 109.17 1do9 n GLY 62 Ca -0.00 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.26 1do9 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1do9 n HIS 63 N 0.00 -2.83 -4.58 1.61 8.25 -1.23 -4.78 115.22 111.66 1do9 n HIS 63 Ca 0.00 0.99 -0.27 0.00 -0.26 0.00 0.00 57.72 58.18 1do9 n HIS 63 Cb 0.00 -1.77 -0.10 0.00 1.12 0.00 0.00 29.99 29.24 1do9 n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1do9 s SER 64 N -5.14 3.31 0.49 0.41 0.01 -1.26 -5.04 113.70 106.48 1do9 s SER 64 Ca 0.00 -1.48 0.21 0.00 1.31 0.00 0.00 55.95 55.99 1do9 s SER 64 Cb 0.00 0.03 1.24 0.00 0.21 0.00 0.00 66.02 67.50 1do9 s SER 64 CO 0.00 -0.66 2.04 0.74 0.41 0.00 0.00 173.24 175.77 1do9 h THR 65 N 1.79 0.85 -0.95 1.44 2.02 -1.98 -1.43 112.91 114.65 1do9 h THR 65 Ca -0.42 -0.57 0.11 0.00 0.77 0.00 0.00 66.41 66.30 1do9 h THR 65 Cb 1.26 1.33 -0.08 0.00 -1.74 0.00 0.00 68.15 68.92 1do9 h THR 65 CO 0.73 0.15 0.58 -2.24 0.37 0.00 0.00 175.52 175.11 1do9 h ASP 66 N 0.00 0.86 0.18 4.18 2.03 -1.99 0.37 116.42 122.05 1do9 h ASP 66 Ca -0.00 0.04 -0.31 0.00 -0.73 0.00 0.00 57.03 56.03 1do9 h ASP 66 Cb 0.32 -0.13 0.03 0.00 -0.83 0.00 0.00 39.33 38.72 1do9 h ASP 66 CO 0.02 0.48 -1.32 0.00 -1.03 0.00 0.00 179.24 177.38 1do9 h ALA 67 N 1.50 -0.08 -0.88 4.15 0.00 -1.71 -2.83 119.26 119.42 1do9 h ALA 67 Ca 0.46 -0.80 0.20 0.00 0.00 0.00 0.00 54.91 54.77 1do9 h ALA 67 Cb 0.41 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1do9 h ALA 67 CO -0.25 0.67 0.59 -0.09 0.00 0.00 0.00 179.25 180.17 1do9 h ARG 68 N 0.19 0.36 -0.00 0.00 1.12 -0.73 -2.01 114.38 113.31 1do9 h ARG 68 Ca -0.22 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.63 1do9 h ARG 68 Cb 2.01 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.89 1do9 h ARG 68 CO 0.25 0.24 -0.00 0.93 -3.11 0.00 0.00 179.97 178.27 1do9 h GLU 69 N 0.37 0.00 0.00 0.20 5.08 -0.80 -3.16 114.58 116.28 1do9 h GLU 69 Ca 0.45 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1do9 h GLU 69 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1do9 h GLU 69 CO -0.15 0.64 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.37 1do9 h LEU 70 N -0.63 0.00 -1.68 1.33 -0.00 -1.25 0.48 115.31 113.55 1do9 h LEU 70 Ca -0.00 0.00 0.36 0.00 -0.00 0.00 0.00 57.88 58.24 1do9 h LEU 70 Cb 0.64 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.22 1do9 h LEU 70 CO 0.00 0.05 0.85 0.28 -0.00 0.00 0.00 178.44 179.63 1do9 h SER 71 N 0.00 0.19 -0.13 -0.43 0.02 -1.33 0.14 113.55 112.01 1do9 h SER 71 Ca -0.00 0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.83 1do9 h SER 71 Cb 0.10 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1do9 h SER 71 CO 0.01 -0.01 -0.54 0.50 -1.14 0.00 0.00 176.83 175.65 1do9 h LYS 72 N 0.14 0.71 -0.00 3.45 1.63 -0.96 -2.65 116.57 118.89 1do9 h LYS 72 Ca 0.66 -0.45 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1do9 h LYS 72 Cb 2.23 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.91 1do9 h LYS 72 CO -0.18 1.07 -0.00 -2.37 -3.45 0.00 0.00 179.45 174.52 1do9 n THR 73 N -3.98 0.00 -0.07 1.00 5.66 0.41 -3.77 114.28 113.53 1do9 n THR 73 Ca -0.04 -0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.91 1do9 n THR 73 Cb 0.61 -0.50 -0.14 0.00 -1.55 0.00 0.00 70.33 68.76 1do9 n THR 73 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1do9 n PHE 74 N -1.22 0.00 -1.67 1.09 3.72 -0.77 -4.92 117.46 113.69 1do9 n PHE 74 Ca 0.16 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 57.09 1do9 n PHE 74 Cb 0.21 -0.75 -0.04 0.00 -0.94 0.00 0.00 39.48 37.95 1do9 n PHE 74 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1do9 n ILE 75 N -2.53 0.30 -0.01 4.37 5.41 -1.02 -1.01 119.36 124.88 1do9 n ILE 75 Ca -0.23 -0.05 0.04 0.00 1.00 0.00 0.00 62.75 63.50 1do9 n ILE 75 Cb 0.94 -1.71 0.08 0.00 -0.71 0.00 0.00 39.64 38.24 1do9 n ILE 75 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1do9 n ILE 76 N 4.30 0.75 -3.83 1.39 -6.64 -0.63 -4.91 119.36 109.79 1do9 n ILE 76 Ca 0.20 -0.87 0.00 0.00 -1.77 0.00 0.00 62.75 60.30 1do9 n ILE 76 Cb 0.29 0.66 0.00 0.00 -1.44 0.00 0.00 39.64 39.15 1do9 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1do9 n GLY 77 N 0.21 -0.91 3.29 3.28 0.00 -1.24 -4.45 105.19 105.37 1do9 n GLY 77 Ca 0.07 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 1do9 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1do9 s GLU 78 N -1.65 1.27 0.08 1.61 2.02 -1.26 -3.35 118.70 117.42 1do9 s GLU 78 Ca 0.00 -1.64 -0.31 0.00 0.02 0.00 0.00 54.97 53.04 1do9 s GLU 78 Cb 0.00 -0.38 -0.07 0.00 0.10 0.00 0.00 34.13 33.78 1do9 s GLU 78 CO 0.00 -0.16 1.27 -0.51 0.02 0.00 0.00 175.26 175.87 1do9 s LEU 79 N -3.26 4.37 0.97 1.80 1.02 -1.25 -1.04 118.68 121.29 1do9 s LEU 79 Ca 0.29 2.13 -0.12 0.00 0.02 0.00 0.00 54.13 56.46 1do9 s LEU 79 Cb 0.06 -3.58 0.12 0.00 0.02 0.00 0.00 46.19 42.81 1do9 s LEU 79 CO 0.08 -0.53 0.77 1.41 0.02 0.00 0.00 176.35 178.10 1do9 n HIS 80 N 3.88 -0.40 -2.39 0.29 8.25 -0.38 -4.72 115.22 119.76 1do9 n HIS 80 Ca 0.10 0.26 -0.37 0.00 -0.26 0.00 0.00 57.72 57.44 1do9 n HIS 80 Cb 0.45 -1.86 -0.02 0.00 1.12 0.00 0.00 29.99 29.68 1do9 n HIS 80 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1do9 s PRO 81 N -4.15 3.42 0.41 -0.41 0.04 -1.26 -3.61 135.00 129.43 1do9 s PRO 81 Ca 0.63 -1.63 0.00 0.00 0.04 0.00 0.00 61.00 60.04 1do9 s PRO 81 Cb -0.22 -5.42 0.00 0.00 0.04 0.00 0.00 34.50 28.91 1do9 s PRO 81 CO 0.63 -2.89 0.00 -3.47 0.04 0.00 0.00 177.00 171.31 1do9 n ASP 82 N 10.64 -3.03 0.05 6.66 2.03 -1.26 -4.85 116.55 126.78 1do9 n ASP 82 Ca 0.47 0.77 -0.20 0.00 0.52 0.00 0.00 54.79 56.35 1do9 n ASP 82 Cb 0.46 2.89 -0.14 0.00 -0.72 0.00 0.00 41.12 43.62 1do9 n ASP 82 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1do9 h ASP 83 N 0.00 0.49 0.79 1.67 3.58 -1.93 -3.25 116.42 117.77 1do9 h ASP 83 Ca 0.00 -0.92 -0.03 0.00 0.42 0.00 0.00 57.03 56.50 1do9 h ASP 83 Cb 0.00 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 1do9 h ASP 83 CO 0.00 1.37 -0.12 -0.09 -2.88 0.00 0.00 179.24 177.52 1do9 h ARG 84 N -0.32 0.00 0.00 0.28 2.43 -1.85 -0.24 114.38 114.69 1do9 h ARG 84 Ca -0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1do9 h ARG 84 Cb 1.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1do9 h ARG 84 CO 0.15 0.12 0.00 0.45 -1.51 0.00 0.00 179.97 179.18 1do9 n SER 85 N -3.33 0.00 -0.08 -3.80 2.88 -1.23 -3.58 113.62 104.48 1do9 n SER 85 Ca -0.00 -0.40 -0.10 0.00 -1.33 0.00 0.00 58.87 57.03 1do9 n SER 85 Cb 0.33 -0.20 -0.09 0.00 -0.75 0.00 0.00 64.21 63.51 1do9 n SER 85 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 86 N -1.20 0.89 -1.73 -1.46 0.00 -0.20 -4.60 118.16 109.86 1do9 n LYS 86 Ca 0.17 0.06 -0.39 0.00 0.00 0.00 0.00 58.31 58.16 1do9 n LYS 86 Cb 0.20 -1.34 -0.03 0.00 0.00 0.00 0.00 35.03 33.86 1do9 n LYS 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1do9 s LEU 87 N -5.65 3.40 -1.02 3.14 1.43 -0.63 -3.80 118.68 115.56 1do9 s LEU 87 Ca -0.17 1.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.89 1do9 s LEU 87 Cb 0.05 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1do9 s LEU 87 CO 0.44 -2.43 0.72 -1.20 0.23 0.00 0.00 176.35 174.11 1do9 n SER 88 N 13.62 -5.41 -4.57 2.29 7.64 -1.26 -4.93 113.62 121.00 1do9 n SER 88 Ca 0.30 -0.92 -0.41 0.00 1.01 0.00 0.00 58.87 58.85 1do9 n SER 88 Cb 0.51 -3.00 -0.07 0.00 -1.01 0.00 0.00 64.21 60.63 1do9 n SER 88 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1do9 s LYS 89 N -5.54 3.73 1.08 1.43 2.20 -1.25 -5.06 119.74 116.34 1do9 s LYS 89 Ca 0.30 -0.01 -0.18 0.00 -0.36 0.00 0.00 55.97 55.72 1do9 s LYS 89 Cb -0.12 -3.77 0.25 0.00 -1.51 0.00 0.00 37.83 32.67 1do9 s LYS 89 CO 0.87 -0.60 1.26 -1.25 -0.36 0.00 0.00 175.35 175.27 1do9 s PRO 90 N 2.44 -0.30 0.95 4.03 0.04 -1.26 -5.07 135.00 135.84 1do9 s PRO 90 Ca 0.20 -0.38 -0.13 0.00 0.04 0.00 0.00 61.00 60.73 1do9 s PRO 90 Cb -0.15 -1.73 0.16 0.00 0.04 0.00 0.00 34.50 32.82 1do9 s PRO 90 CO 0.13 -3.05 1.13 1.41 0.04 0.00 0.00 177.00 176.66 1do9 s MET 91 N -5.78 0.78 -0.27 4.56 1.75 -1.26 -5.07 119.30 114.00 1do9 s MET 91 Ca 0.75 0.28 -0.00 0.00 -1.25 0.00 0.00 55.69 55.47 1do9 s MET 91 Cb -0.04 -1.80 0.15 0.00 2.84 0.00 0.00 34.83 35.97 1do9 s MET 91 CO 0.54 -2.44 0.37 -2.00 -0.65 0.00 0.00 175.02 170.85 1do9 s GLU 92 N -5.24 0.37 0.58 4.11 -6.30 -1.26 -5.15 118.70 105.82 1do9 s GLU 92 Ca 0.65 0.21 -0.16 0.00 -2.50 0.00 0.00 54.97 53.17 1do9 s GLU 92 Cb -0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 34.13 33.50 1do9 s GLU 92 CO 0.54 -0.90 1.06 -0.08 0.02 0.00 0.00 175.26 175.89 1do9 s THR 93 N 2.51 3.82 0.00 -1.70 -1.32 -1.26 -5.36 115.64 112.32 1do9 s THR 93 Ca 0.10 0.88 0.00 0.00 -1.21 0.00 0.00 61.69 61.46 1do9 s THR 93 Cb -0.14 -3.39 0.00 0.00 -1.51 0.00 0.00 72.50 67.46 1do9 s THR 93 CO -0.26 -0.49 0.00 -0.11 -2.21 0.00 0.00 174.62 171.55